==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 27-SEP-10 2L3Z . COMPND 2 MOLECULE: UBIQUITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.HUBER,S.HILLER,P.SCHANDA,M.ERNST,A.BOCKMANN,R.VEREL,B.H.ME . 76 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5892.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 46 60.5 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 . 9 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 . 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 . 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 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 153 0, 0.0 16,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 72.0 -13.0 -8.2 3.2 2 2 A Q - 0 0 119 14,-0.1 62,-1.2 16,-0.0 63,-0.3 -0.883 360.0-173.2-120.8 154.4 -9.7 -8.7 1.3 3 3 A I - 0 0 13 12,-0.6 2,-0.4 -2,-0.3 12,-0.3 -0.786 16.7-134.4-133.7 170.2 -7.4 -6.3 -0.6 4 4 A F E -a 66 0A 48 61,-1.8 63,-1.2 -2,-0.2 2,-0.4 -0.986 12.1-166.5-139.3 135.9 -4.3 -7.0 -2.8 5 5 A V E -a 67 0A 9 -2,-0.4 2,-0.4 8,-0.3 8,-0.4 -0.923 2.9-164.0-120.8 140.6 -0.8 -5.4 -2.9 6 6 A K E -a 68 0A 91 61,-3.0 63,-2.1 -2,-0.4 2,-0.2 -0.996 13.7-150.4-124.9 119.9 1.8 -5.9 -5.7 7 7 A T E > -a 69 0A 23 4,-0.6 3,-1.7 -2,-0.4 63,-0.2 -0.588 24.3-120.0 -89.9 153.0 5.3 -4.8 -4.9 8 8 A L T 3 S+ 0 0 106 61,-1.8 62,-0.1 1,-0.3 -1,-0.1 0.810 109.6 74.0 -62.6 -24.1 7.8 -3.6 -7.5 9 9 A T T 3 S- 0 0 77 1,-0.1 2,-1.0 2,-0.1 -1,-0.3 0.478 102.0-131.3 -66.6 -7.8 10.0 -6.6 -6.4 10 10 A G < + 0 0 53 -3,-1.7 -1,-0.1 1,-0.2 -2,-0.1 -0.119 66.1 128.0 81.0 -37.2 7.6 -9.0 -8.2 11 11 A K - 0 0 131 -2,-1.0 2,-0.7 1,-0.1 -4,-0.6 -0.150 69.7-113.4 -51.3 138.2 7.5 -11.3 -5.1 12 12 A T + 0 0 100 -6,-0.1 2,-0.5 -3,-0.1 -1,-0.1 -0.717 44.6 168.3 -81.8 109.5 3.9 -12.0 -4.0 13 13 A I - 0 0 62 -2,-0.7 -8,-0.3 -8,-0.4 2,-0.2 -0.971 15.2-166.8-127.0 109.7 3.5 -10.3 -0.6 14 14 A T - 0 0 96 -2,-0.5 2,-0.3 -10,-0.1 -10,-0.1 -0.588 6.3-167.7-102.5 150.5 -0.2 -10.3 0.5 15 15 A L - 0 0 37 -12,-0.3 -12,-0.6 -2,-0.2 2,-0.4 -0.906 18.4-136.1-134.5 163.6 -2.0 -8.4 3.3 16 16 A E + 0 0 158 -2,-0.3 2,-0.3 -14,-0.1 -14,-0.1 -0.999 31.7 167.6-123.0 120.6 -5.4 -8.3 5.2 17 17 A V - 0 0 12 -2,-0.4 -2,-0.0 -16,-0.3 0, 0.0 -0.988 27.9-127.0-137.6 146.8 -7.0 -4.9 5.7 18 18 A E > - 0 0 84 -2,-0.3 3,-1.8 1,-0.1 38,-0.2 -0.489 26.6-112.8 -90.3 160.9 -10.5 -3.8 6.9 19 19 A P T 3 S+ 0 0 73 0, 0.0 38,-1.2 0, 0.0 37,-0.3 0.810 118.4 58.4 -62.9 -28.4 -12.8 -1.3 5.0 20 20 A S T 3 S+ 0 0 107 36,-0.1 2,-0.1 37,-0.1 0, 0.0 0.432 86.8 105.0 -77.8 -7.2 -12.4 1.0 8.0 21 21 A D < - 0 0 50 -3,-1.8 35,-1.8 34,-0.0 36,-0.4 -0.454 64.2-136.0 -80.9 155.1 -8.5 1.1 7.6 22 22 A T B >> -D 55 0B 50 33,-0.2 4,-1.5 -2,-0.1 3,-1.0 -0.819 18.0-125.2-106.6 147.8 -6.7 4.1 6.2 23 23 A I H 3> S+ 0 0 11 31,-2.5 4,-3.1 -2,-0.3 5,-0.3 0.797 109.0 70.1 -62.0 -28.1 -3.8 3.7 3.6 24 24 A E H 3> S+ 0 0 103 30,-0.6 4,-1.6 1,-0.2 -1,-0.3 0.893 101.8 43.6 -56.7 -40.5 -1.6 5.7 6.1 25 25 A N H <> S+ 0 0 93 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.925 113.1 52.7 -71.1 -41.0 -1.7 2.7 8.4 26 26 A V H X S+ 0 0 12 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.916 108.6 48.2 -60.8 -49.5 -1.1 0.2 5.5 27 27 A K H X S+ 0 0 49 -4,-3.1 4,-2.7 1,-0.2 3,-0.3 0.946 111.4 51.9 -59.6 -44.0 2.0 2.1 4.2 28 28 A A H X S+ 0 0 28 -4,-1.6 4,-2.8 -5,-0.3 -2,-0.2 0.882 102.8 59.7 -59.7 -38.6 3.4 2.2 7.8 29 29 A K H X S+ 0 0 143 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.908 113.0 37.0 -56.5 -48.2 2.9 -1.6 8.1 30 30 A I H X S+ 0 0 32 -4,-1.6 4,-0.8 -3,-0.3 3,-0.3 0.894 114.9 54.3 -71.9 -43.1 5.2 -2.3 5.1 31 31 A Q H >X>S+ 0 0 6 -4,-2.7 4,-1.3 1,-0.2 5,-1.2 0.883 103.3 57.8 -59.8 -36.2 7.7 0.6 6.0 32 32 A D H 3<5S+ 0 0 131 -4,-2.8 3,-0.4 1,-0.3 -1,-0.2 0.886 101.8 54.6 -60.5 -39.3 8.1 -0.9 9.5 33 33 A K H 3<5S+ 0 0 136 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.751 117.4 37.0 -65.6 -25.9 9.2 -4.2 8.0 34 34 A E H <<5S- 0 0 68 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.498 101.0-132.0-104.8 -9.2 11.9 -2.3 6.1 35 35 A G T <5 + 0 0 73 -4,-1.3 -3,-0.2 -3,-0.4 -4,-0.1 0.791 63.2 127.0 60.7 31.0 12.8 0.4 8.8 36 36 A I < - 0 0 33 -5,-1.2 -1,-0.2 1,-0.0 -2,-0.1 -0.807 65.5-100.6-117.4 158.9 12.6 3.3 6.3 37 37 A P > - 0 0 77 0, 0.0 3,-1.6 0, 0.0 4,-0.1 -0.480 29.2-124.8 -75.0 150.1 10.7 6.6 6.1 38 38 A P G > S+ 0 0 40 0, 0.0 3,-2.0 0, 0.0 -2,-0.0 0.703 104.6 78.6 -70.0 -15.3 7.5 6.7 3.9 39 39 A D G 3 S+ 0 0 150 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.740 87.2 60.1 -61.8 -25.8 9.1 9.6 1.9 40 40 A Q G < S+ 0 0 104 -3,-1.6 -1,-0.3 32,-0.0 2,-0.3 0.517 105.2 58.7 -81.7 -5.9 11.2 6.9 0.1 41 41 A Q < - 0 0 27 -3,-2.0 2,-0.3 30,-0.1 30,-0.2 -0.809 58.2-171.3-126.0 163.2 8.0 5.1 -1.2 42 42 A R E -B 70 0A 177 28,-2.6 28,-2.2 -2,-0.3 2,-0.3 -0.965 10.9-147.7-147.7 157.1 4.9 5.9 -3.3 43 43 A L E -B 69 0A 20 7,-0.4 7,-2.8 -2,-0.3 2,-0.4 -0.985 12.3-168.4-129.5 140.4 1.6 4.2 -4.3 44 44 A I E +BC 68 49A 76 24,-1.0 24,-0.9 -2,-0.3 2,-0.3 -0.997 7.2 175.4-135.2 134.8 -0.3 4.5 -7.6 45 45 A F E > - C 0 48A 64 3,-2.6 3,-2.2 -2,-0.4 22,-0.1 -0.997 69.5 -3.5-141.6 137.4 -3.8 3.4 -8.5 46 46 A A T 3 S- 0 0 88 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.867 128.3 -57.8 47.6 44.4 -5.8 3.9 -11.8 47 47 A G T 3 S+ 0 0 75 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.475 119.1 104.4 69.7 7.5 -3.0 5.9 -13.2 48 48 A K E < S-C 45 0A 124 -3,-2.2 -3,-2.6 3,-0.0 2,-0.2 -0.863 80.0 -99.5-119.7 155.0 -3.2 8.5 -10.3 49 49 A Q E -C 44 0A 126 -2,-0.3 2,-1.0 -5,-0.2 -5,-0.2 -0.459 33.6-128.1 -72.1 126.3 -1.0 9.1 -7.2 50 50 A L - 0 0 42 -7,-2.8 -7,-0.4 -2,-0.2 2,-0.2 -0.760 31.3-136.7 -78.5 108.4 -2.5 7.4 -4.1 51 51 A E > - 0 0 86 -2,-1.0 3,-1.0 1,-0.1 -28,-0.1 -0.478 19.8-106.6 -71.1 136.7 -2.5 10.5 -1.8 52 52 A D T 3 S+ 0 0 126 1,-0.2 -1,-0.1 -2,-0.2 -10,-0.0 -0.255 98.1 31.6 -60.9 147.0 -1.4 9.8 1.8 53 53 A G T 3 S+ 0 0 36 1,-0.2 -1,-0.2 0, 0.0 2,-0.1 0.399 84.3 129.1 84.9 0.4 -4.0 9.8 4.6 54 54 A R < - 0 0 96 -3,-1.0 -31,-2.5 -32,-0.1 -30,-0.6 -0.400 48.6-131.7 -85.6 166.3 -7.1 8.5 2.6 55 55 A T B > -D 22 0B 42 -33,-0.3 4,-2.1 -32,-0.1 -33,-0.2 -0.773 15.0-127.1-115.5 157.6 -9.3 5.6 3.6 56 56 A L T 4>S+ 0 0 4 -35,-1.8 5,-2.8 -2,-0.3 4,-0.5 0.916 114.7 50.9 -65.4 -43.3 -10.6 2.5 1.7 57 57 A S T >45S+ 0 0 80 -38,-1.2 3,-0.6 -36,-0.4 -1,-0.2 0.910 111.2 46.7 -60.4 -46.1 -14.1 3.5 2.7 58 58 A D T 345S+ 0 0 113 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.889 117.4 41.0 -67.2 -42.5 -13.7 7.2 1.5 59 59 A Y T 3<5S- 0 0 116 -4,-2.1 -1,-0.2 2,-0.0 -2,-0.2 0.415 111.0-122.6 -86.6 3.2 -12.2 6.3 -1.9 60 60 A N T < 5 - 0 0 140 -3,-0.6 -3,-0.2 -4,-0.5 2,-0.1 0.863 37.6-169.9 58.5 39.9 -14.7 3.4 -2.3 61 61 A I < - 0 0 35 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.1 -0.439 8.8-146.5 -64.0 129.0 -11.9 0.7 -2.6 62 62 A Q > - 0 0 155 1,-0.2 3,-1.2 -2,-0.1 -1,-0.1 -0.417 30.1 -78.4 -88.3 168.1 -13.4 -2.6 -3.7 63 63 A K T 3 S+ 0 0 157 1,-0.2 -60,-0.3 -2,-0.1 -1,-0.2 -0.283 115.1 18.4 -65.8 159.9 -12.2 -6.1 -2.7 64 64 A E T 3 S+ 0 0 110 -62,-1.2 2,-0.2 1,-0.2 -1,-0.2 0.581 84.9 159.4 52.7 16.4 -9.1 -7.5 -4.5 65 65 A S < - 0 0 16 -3,-1.2 -61,-1.8 -63,-0.3 -1,-0.2 -0.512 41.5-121.7 -70.1 127.9 -8.3 -3.9 -5.6 66 66 A T E -a 4 0A 74 -2,-0.2 2,-0.4 -63,-0.1 -61,-0.2 -0.513 22.4-161.9 -76.4 143.0 -4.6 -3.9 -6.5 67 67 A L E -a 5 0A 6 -63,-1.2 -61,-3.0 -2,-0.2 2,-0.8 -0.976 12.6-143.5-123.6 128.4 -2.2 -1.5 -4.8 68 68 A H E -aB 6 44A 77 -24,-0.9 -24,-1.0 -2,-0.4 2,-0.7 -0.869 15.8-161.8-101.5 99.9 1.2 -0.9 -6.6 69 69 A L E -aB 7 43A 6 -63,-2.1 -61,-1.8 -2,-0.8 2,-0.5 -0.760 10.4-177.6 -87.0 113.3 3.8 -0.5 -3.8 70 70 A V E + B 0 42A 24 -28,-2.2 -28,-2.6 -2,-0.7 2,-0.2 -0.972 21.0 129.5-119.0 124.5 6.9 1.2 -5.1 71 71 A L - 0 0 31 -2,-0.5 2,-0.5 -30,-0.2 -30,-0.1 -0.830 56.6 -94.2-155.4-176.6 9.9 1.7 -2.8 72 72 A R - 0 0 130 -2,-0.2 2,-0.4 -32,-0.1 -32,-0.0 -0.973 32.1-132.1-119.4 112.1 13.7 1.0 -2.7 73 73 A L - 0 0 99 -2,-0.5 2,-0.5 1,-0.1 -39,-0.0 -0.536 26.4-126.1 -64.2 114.5 14.9 -2.2 -1.1 74 74 A R S S+ 0 0 195 -2,-0.4 2,-0.3 -40,-0.1 -1,-0.1 -0.614 72.0 82.4 -69.0 117.6 17.7 -1.2 1.3 75 75 A G 0 0 44 -2,-0.5 0, 0.0 0, 0.0 0, 0.0 -0.929 360.0 360.0 171.1-170.2 20.6 -3.3 0.3 76 76 A G 0 0 134 -2,-0.3 -2,-0.0 0, 0.0 -3,-0.0 -0.945 360.0 360.0 121.1 360.0 23.4 -3.4 -2.3