==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-OCT-99 1D3Z . COMPND 2 MOLECULE: PROTEIN (UBIQUITIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.CORNILESCU,J.L.MARQUARDT,M.OTTIGER,A.BAX . 76 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5155.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 47 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 5.3 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 . 3 3.9 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 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 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 51 0, 0.0 16,-3.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 154.9 51.7 -89.3 8.8 2 2 A Q E -A 16 0A 76 14,-0.2 62,-2.9 12,-0.0 63,-0.4 -0.743 360.0-179.2 -95.8 142.4 48.7 -88.7 6.5 3 3 A I E -A 15 0A 0 12,-2.3 12,-2.4 -2,-0.3 2,-0.4 -0.858 18.2-130.9-131.5 165.4 48.0 -85.5 4.7 4 4 A F E -Ab 14 66A 54 61,-2.8 63,-3.8 -2,-0.3 2,-0.5 -0.965 10.9-164.3-124.4 139.9 45.3 -84.2 2.4 5 5 A V E -Ab 13 67A 0 8,-2.9 8,-3.2 -2,-0.4 2,-0.3 -0.979 9.9-155.9-122.9 123.7 45.6 -82.4 -1.0 6 6 A K E -Ab 12 68A 79 61,-2.5 63,-2.6 -2,-0.5 6,-0.2 -0.779 9.3-145.3-100.1 142.3 42.6 -80.6 -2.5 7 7 A T > - 0 0 29 4,-2.7 3,-1.7 -2,-0.3 63,-0.1 -0.575 28.0-108.5-101.8 166.0 42.2 -80.0 -6.3 8 8 A L T 3 S+ 0 0 114 1,-0.3 -1,-0.1 61,-0.2 62,-0.1 0.684 119.3 57.6 -64.0 -19.6 40.7 -77.1 -8.2 9 9 A T T 3 S- 0 0 130 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.469 124.5-100.0 -93.3 -0.0 37.8 -79.4 -9.1 10 10 A G S < S+ 0 0 64 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.598 76.2 140.3 94.6 13.9 36.9 -80.1 -5.4 11 11 A K - 0 0 110 2,-0.0 -4,-2.7 0, 0.0 2,-0.5 -0.683 39.0-150.1 -90.2 144.9 38.6 -83.5 -5.2 12 12 A T E -A 6 0A 62 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.961 8.9-164.7-118.0 127.9 40.5 -84.5 -2.0 13 13 A I E -A 5 0A 14 -8,-3.2 -8,-2.9 -2,-0.5 2,-0.4 -0.901 8.8-146.9-111.6 139.0 43.5 -86.9 -2.1 14 14 A T E -A 4 0A 61 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.879 19.4-175.7-105.1 132.0 45.0 -88.6 0.9 15 15 A L E -A 3 0A 2 -12,-2.4 -12,-2.3 -2,-0.4 2,-0.6 -0.952 24.2-132.4-127.3 150.3 48.8 -89.3 1.0 16 16 A E E +A 2 0A 134 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.878 42.4 158.4-101.0 122.2 51.1 -91.1 3.4 17 17 A V - 0 0 1 -16,-3.4 -2,-0.0 -2,-0.6 9,-0.0 -0.920 35.8-134.2-140.0 168.0 54.2 -88.9 4.2 18 18 A E > - 0 0 101 -2,-0.3 3,-2.4 4,-0.1 38,-0.3 -0.875 32.2-115.5-118.5 150.9 57.0 -88.4 6.7 19 19 A P T 3 S+ 0 0 58 0, 0.0 38,-2.2 0, 0.0 39,-0.3 0.785 117.7 57.5 -58.1 -24.2 58.1 -85.0 8.0 20 20 A S T 3 S+ 0 0 87 36,-0.2 2,-0.1 35,-0.1 -3,-0.0 0.479 81.4 114.2 -85.3 -1.8 61.5 -85.6 6.3 21 21 A D < - 0 0 30 -3,-2.4 35,-2.0 1,-0.1 36,-0.2 -0.451 66.4-126.2 -70.5 143.3 59.8 -86.0 2.9 22 22 A T B > -E 55 0B 40 33,-0.2 4,-2.1 -2,-0.1 33,-0.2 -0.506 14.7-119.1 -86.3 157.2 60.7 -83.4 0.4 23 23 A I H > S+ 0 0 0 31,-2.4 4,-2.8 28,-0.4 5,-0.2 0.900 117.7 55.3 -62.0 -39.7 58.1 -81.3 -1.5 24 24 A E H > S+ 0 0 117 28,-1.0 4,-2.0 30,-0.3 -1,-0.2 0.892 107.2 50.6 -60.0 -38.3 59.5 -82.8 -4.8 25 25 A N H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.909 109.1 50.8 -66.2 -40.1 58.9 -86.2 -3.3 26 26 A V H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.923 109.2 50.5 -62.9 -43.7 55.3 -85.2 -2.5 27 27 A K H X S+ 0 0 5 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.893 107.9 54.4 -60.0 -40.0 54.8 -84.0 -6.0 28 28 A A H X S+ 0 0 46 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.884 105.8 51.7 -62.5 -37.8 56.1 -87.3 -7.3 29 29 A K H X S+ 0 0 83 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.908 109.6 50.0 -65.7 -39.0 53.6 -89.1 -5.2 30 30 A I H X>S+ 0 0 0 -4,-2.0 4,-3.4 1,-0.2 5,-0.6 0.892 108.0 53.8 -65.0 -40.0 50.8 -87.0 -6.7 31 31 A Q H X5S+ 0 0 87 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.918 107.2 51.2 -60.1 -44.1 52.1 -87.8 -10.2 32 32 A D H <5S+ 0 0 142 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.877 118.8 36.9 -60.4 -40.6 51.9 -91.4 -9.5 33 33 A K H <5S+ 0 0 118 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.836 133.9 19.5 -81.7 -40.3 48.3 -91.1 -8.3 34 34 A E H <5S- 0 0 81 -4,-3.4 -3,-0.2 2,-0.1 -2,-0.2 0.616 91.7-123.7-110.8 -14.9 46.9 -88.4 -10.7 35 35 A G << + 0 0 57 -4,-2.1 -4,-0.2 -5,-0.6 -3,-0.1 0.604 60.6 143.2 82.4 11.2 49.3 -88.4 -13.7 36 36 A I - 0 0 35 -6,-0.4 -1,-0.3 -9,-0.1 -2,-0.1 -0.757 54.3-122.1 -86.4 117.0 50.0 -84.7 -13.4 37 37 A P > - 0 0 58 0, 0.0 3,-2.5 0, 0.0 4,-0.3 -0.327 19.2-122.9 -58.8 134.8 53.7 -83.9 -14.2 38 38 A P G > S+ 0 0 33 0, 0.0 3,-1.2 0, 0.0 -10,-0.0 0.768 109.5 63.2 -49.4 -31.4 55.5 -82.2 -11.2 39 39 A D G 3 S+ 0 0 146 1,-0.2 -3,-0.0 3,-0.0 -12,-0.0 0.691 102.7 49.7 -71.0 -16.3 56.5 -79.2 -13.4 40 40 A Q G < S+ 0 0 82 -3,-2.5 32,-1.8 31,-0.1 2,-0.4 0.364 97.7 89.9-100.0 1.8 52.8 -78.4 -13.9 41 41 A Q E < -C 71 0A 9 -3,-1.2 2,-0.4 -4,-0.3 30,-0.2 -0.861 50.4-172.1-108.0 139.5 51.9 -78.6 -10.2 42 42 A R E -C 70 0A 99 28,-2.5 28,-2.8 -2,-0.4 2,-0.5 -0.992 11.8-154.9-126.2 123.9 52.0 -75.8 -7.5 43 43 A L E -C 69 0A 0 -2,-0.4 7,-3.0 7,-0.4 2,-0.4 -0.874 10.7-172.7-105.7 130.1 51.5 -76.7 -3.8 44 44 A I E +CD 68 49A 39 24,-2.7 24,-2.8 -2,-0.5 2,-0.4 -0.966 6.4 179.3-123.2 138.1 50.2 -74.1 -1.4 45 45 A F E > S- D 0 48A 39 3,-2.5 3,-2.4 -2,-0.4 22,-0.1 -0.991 73.9 -13.6-139.3 127.1 49.9 -74.3 2.4 46 46 A A T 3 S- 0 0 78 -2,-0.4 3,-0.1 20,-0.3 -1,-0.1 0.837 130.2 -52.4 50.0 39.2 48.6 -71.6 4.7 47 47 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.452 116.1 112.2 82.0 0.0 48.8 -69.1 1.8 48 48 A K E < -D 45 0A 108 -3,-2.4 -3,-2.5 0, 0.0 2,-0.4 -0.899 66.8-126.0-112.2 139.3 52.5 -69.9 1.0 49 49 A Q E -D 44 0A 112 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.637 29.3-132.2 -79.4 129.0 53.9 -71.7 -2.1 50 50 A L - 0 0 5 -7,-3.0 -7,-0.4 -2,-0.4 2,-0.2 -0.662 15.8-133.8 -86.9 136.5 56.0 -74.7 -1.1 51 51 A E > - 0 0 106 -2,-0.3 3,-1.2 4,-0.1 -28,-0.4 -0.596 11.4-128.8 -91.2 149.9 59.5 -75.1 -2.8 52 52 A D T 3 S+ 0 0 66 1,-0.2 -28,-1.0 -2,-0.2 -27,-0.2 0.681 106.6 56.3 -68.8 -20.0 60.8 -78.3 -4.2 53 53 A G T 3 S+ 0 0 65 -30,-0.1 -1,-0.2 -31,-0.1 2,-0.2 0.400 97.8 77.2 -94.0 3.5 64.1 -78.1 -2.2 54 54 A R S < S- 0 0 117 -3,-1.2 -31,-2.4 1,-0.0 -30,-0.3 -0.679 72.6-126.3-110.1 165.9 62.4 -77.9 1.2 55 55 A T B > -E 22 0B 29 -33,-0.2 4,-0.7 -2,-0.2 3,-0.4 -0.643 24.9-109.5-107.5 167.4 60.7 -80.5 3.5 56 56 A L T >4>S+ 0 0 0 -35,-2.0 5,-1.8 -38,-0.3 3,-1.2 0.887 117.3 56.4 -59.9 -42.9 57.3 -80.8 5.1 57 57 A S G >45S+ 0 0 53 -38,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.830 96.7 64.2 -61.9 -30.3 58.8 -80.2 8.6 58 58 A D G 345S+ 0 0 95 -3,-0.4 -1,-0.3 -39,-0.3 -2,-0.2 0.814 106.8 43.5 -62.1 -29.0 60.3 -76.9 7.4 59 59 A Y G <<5S- 0 0 39 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.202 113.4-119.6 -99.9 13.8 56.7 -75.7 6.9 60 60 A N T < 5 + 0 0 125 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.840 48.7 173.3 50.1 40.0 55.5 -77.1 10.2 61 61 A I < - 0 0 7 -5,-1.8 -1,-0.2 -42,-0.1 2,-0.2 -0.677 11.4-166.5 -81.0 121.5 53.0 -79.3 8.4 62 62 A Q > - 0 0 141 -2,-0.5 3,-1.5 1,-0.2 -1,-0.0 -0.582 33.1 -61.3-107.5 169.1 51.4 -81.7 10.9 63 63 A K T 3 S+ 0 0 164 1,-0.3 -1,-0.2 -2,-0.2 -60,-0.2 -0.146 122.2 18.0 -51.1 141.2 49.3 -84.8 10.7 64 64 A E T 3 S+ 0 0 147 -62,-2.9 -1,-0.3 1,-0.2 -61,-0.2 0.669 88.4 155.0 66.7 23.4 45.9 -84.3 8.9 65 65 A S < - 0 0 19 -3,-1.5 -61,-2.8 -63,-0.4 2,-0.5 -0.490 37.3-136.3 -76.8 148.7 47.1 -81.0 7.4 66 66 A T E -b 4 0A 49 -63,-0.2 -20,-0.3 -2,-0.1 2,-0.3 -0.938 18.4-168.7-112.8 124.0 45.4 -80.0 4.1 67 67 A L E -b 5 0A 0 -63,-3.8 -61,-2.5 -2,-0.5 2,-0.4 -0.720 16.4-131.2-105.2 157.4 47.5 -78.7 1.2 68 68 A H E -bC 6 44A 95 -24,-2.8 -24,-2.7 -2,-0.3 2,-0.5 -0.918 13.7-149.6-112.3 134.1 46.1 -77.0 -1.9 69 69 A L E - C 0 43A 5 -63,-2.6 2,-0.3 -2,-0.4 -61,-0.2 -0.888 12.0-170.0-106.2 132.7 47.1 -78.1 -5.4 70 70 A V E - C 0 42A 51 -28,-2.8 -28,-2.5 -2,-0.5 2,-0.4 -0.917 12.1-141.0-120.7 144.8 47.2 -75.5 -8.3 71 71 A L E - C 0 41A 85 -2,-0.3 2,-0.4 -30,-0.2 -30,-0.2 -0.871 8.7-157.0-109.9 140.0 47.7 -76.3 -12.0 72 72 A R - 0 0 103 -32,-1.8 2,-0.5 -2,-0.4 -2,-0.0 -0.963 5.6-167.3-119.2 130.1 49.7 -74.3 -14.5 73 73 A L - 0 0 135 -2,-0.4 -2,-0.0 1,-0.1 -33,-0.0 -0.966 15.7-160.0-120.0 128.7 49.1 -74.4 -18.2 74 74 A R S S+ 0 0 217 -2,-0.5 -1,-0.1 0, 0.0 2,-0.1 0.893 82.6 50.0 -69.8 -39.9 51.6 -72.9 -20.8 75 75 A G 0 0 60 1,-0.0 -2,-0.1 0, 0.0 0, 0.0 -0.259 360.0 360.0 -89.9-180.0 48.9 -72.7 -23.4 76 76 A G 0 0 157 -2,-0.1 -3,-0.0 0, 0.0 -1,-0.0 0.114 360.0 360.0 167.1 360.0 45.4 -71.3 -23.2