==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 26-JAN-06 2FUH . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 D3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.S.BRZOVIC,A.LISSOUNOV,D.W.HOYT,R.E.KLEVIT . 222 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 11.7 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 22 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.7 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 1 0 0 0 1 0 0 0 2 1 0 1 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 . 2 2 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 ANTIPARALLEL 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 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 2 A A > 0 0 17 0, 0.0 4,-2.9 0, 0.0 5,-0.4 0.000 360.0 360.0 360.0 -31.0 15.9 17.1 -3.2 2 3 A L H > + 0 0 98 1,-0.2 4,-0.9 2,-0.2 28,-0.0 0.867 360.0 38.9 -58.6 -36.9 13.2 19.2 -1.5 3 4 A K H > S+ 0 0 178 2,-0.2 4,-0.8 3,-0.1 -1,-0.2 0.927 117.8 47.0 -79.1 -49.2 12.1 20.4 -4.9 4 5 A R H >> S+ 0 0 99 1,-0.2 3,-1.9 2,-0.2 4,-0.9 0.962 112.5 48.8 -57.4 -55.4 12.6 17.1 -6.9 5 6 A I H 3X S+ 0 0 1 -4,-2.9 4,-1.3 1,-0.3 3,-0.5 0.873 107.6 56.5 -53.0 -38.9 10.8 15.0 -4.2 6 7 A N H 3X S+ 0 0 80 -4,-0.9 4,-1.6 -5,-0.4 -1,-0.3 0.718 93.9 71.8 -66.3 -19.9 8.0 17.6 -4.3 7 8 A K H S- 0 0 71 6,-1.4 3,-0.7 3,-0.3 6,-0.2 -0.684 71.6 -33.0 -85.6 131.6 5.2 11.5 6.3 26 27 A G T 3 S- 0 0 61 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 0.031 104.7 -51.1 52.4-167.5 5.0 15.0 7.8 27 28 A D T 3 S+ 0 0 145 2,-0.1 2,-1.0 1,-0.0 -1,-0.2 0.484 104.5 117.8 -78.4 -1.6 6.7 17.9 6.0 28 29 A D X - 0 0 114 -3,-0.7 2,-1.7 1,-0.1 3,-0.7 -0.550 54.3-159.3 -71.2 101.5 9.8 15.8 6.0 29 30 A M T 3 S+ 0 0 18 -2,-1.0 -24,-0.1 1,-0.2 -1,-0.1 -0.594 73.1 64.4 -84.5 81.2 10.4 15.3 2.2 30 31 A F T 3 S+ 0 0 70 -2,-1.7 25,-1.6 1,-0.3 2,-0.6 0.279 81.9 69.6-163.8 -39.4 12.7 12.3 2.4 31 32 A H < + 0 0 98 -3,-0.7 -6,-1.4 -6,-0.2 -1,-0.3 -0.865 58.5 179.2-101.6 120.8 10.7 9.3 3.7 32 33 A W E -A 24 0A 3 -2,-0.6 21,-2.4 21,-0.3 2,-0.3 -0.835 1.1-178.6-117.5 155.7 8.0 7.9 1.5 33 34 A Q E -AB 23 52A 40 -10,-0.5 -10,-1.1 -2,-0.3 2,-0.3 -0.920 4.9-177.4-146.1 170.9 5.6 4.9 2.1 34 35 A A E -AB 22 51A 4 17,-1.4 17,-1.5 -2,-0.3 2,-0.3 -0.948 12.7-138.8-159.8 175.7 2.8 2.9 0.4 35 36 A T E - B 0 50A 10 -14,-1.4 2,-0.4 -2,-0.3 15,-0.2 -0.986 6.8-162.1-146.0 154.5 0.4 0.1 0.9 36 37 A I E - B 0 49A 7 13,-1.8 13,-2.7 -2,-0.3 2,-0.3 -0.999 7.5-151.0-142.1 136.9 -1.0 -2.8 -1.1 37 38 A M E - B 0 48A 16 -18,-0.5 11,-0.2 -2,-0.4 8,-0.1 -0.809 43.6 -82.0-108.0 148.7 -4.1 -5.0 -0.6 38 39 A G - 0 0 1 9,-0.5 8,-0.3 6,-0.4 182,-0.1 -0.229 37.7-136.1 -47.4 109.2 -4.6 -8.6 -1.7 39 40 A P - 0 0 28 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.591 44.2-110.0 -47.2 -6.9 -5.5 -8.3 -5.4 40 41 A N S S+ 0 0 63 2,-0.2 -2,-0.1 180,-0.1 -3,-0.0 0.934 103.2 70.9 74.3 48.4 -8.1 -10.9 -4.5 41 42 A D S S+ 0 0 128 1,-0.4 -3,-0.0 0, 0.0 4,-0.0 0.326 79.6 66.5-155.1 -47.2 -6.5 -13.7 -6.5 42 43 A S S > S- 0 0 34 1,-0.1 2,-2.4 2,-0.1 3,-0.8 -0.423 101.5 -83.8 -84.9 162.8 -3.3 -14.9 -4.8 43 44 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.396 114.8 69.2 -67.5 76.6 -3.1 -16.6 -1.4 44 45 A Y T > + 0 0 13 -2,-2.4 3,-2.6 97,-0.0 -6,-0.4 0.223 59.5 161.2-175.5 15.3 -3.2 -13.4 0.7 45 46 A Q T < S+ 0 0 80 -3,-0.8 3,-0.1 1,-0.3 174,-0.1 -0.235 76.1 17.2 -52.7 133.0 -6.7 -11.9 0.2 46 47 A G T 3 S+ 0 0 22 -8,-0.3 2,-0.8 1,-0.2 -1,-0.3 0.444 95.1 131.3 81.9 -0.6 -7.5 -9.4 2.9 47 48 A G < - 0 0 0 -3,-2.6 -9,-0.5 99,-0.1 2,-0.4 -0.775 46.7-153.1 -90.9 111.4 -3.8 -9.2 3.7 48 49 A V E -B 37 0A 21 -2,-0.8 2,-0.3 97,-0.7 -11,-0.2 -0.693 10.0-160.0 -86.2 131.3 -2.6 -5.6 3.9 49 50 A F E -B 36 0A 3 -13,-2.7 -13,-1.8 -2,-0.4 2,-0.4 -0.866 5.0-164.0-113.2 146.4 1.1 -5.0 3.1 50 51 A F E -B 35 0A 57 -2,-0.3 20,-0.9 -15,-0.2 19,-0.8 -0.993 7.0-180.0-131.7 135.1 3.2 -2.0 4.1 51 52 A L E -B 34 0A 5 -17,-1.5 -17,-1.4 -2,-0.4 2,-0.2 -0.994 12.8-150.2-138.3 130.7 6.5 -0.9 2.6 52 53 A T E -B 33 0A 53 15,-0.5 15,-1.1 -2,-0.4 2,-0.3 -0.538 10.9-148.1 -95.0 163.3 8.7 2.1 3.5 53 54 A I E -C 66 0B 10 -21,-2.4 2,-0.3 -2,-0.2 -21,-0.3 -0.865 5.5-156.4-128.6 162.6 11.1 4.0 1.2 54 55 A H E -C 65 0B 75 11,-1.0 11,-1.2 -2,-0.3 -23,-0.2 -0.857 8.5-155.2-145.4 106.2 14.4 5.9 1.7 55 56 A F - 0 0 24 -25,-1.6 2,-0.0 -2,-0.3 -2,-0.0 -0.584 25.3-117.2 -80.7 140.2 15.5 8.6 -0.7 56 57 A P > - 0 0 20 0, 0.0 3,-1.0 0, 0.0 5,-0.1 -0.332 13.6-123.8 -74.0 157.7 19.3 9.2 -0.9 57 58 A T T 3 S+ 0 0 116 1,-0.3 -2,-0.0 2,-0.1 -27,-0.0 0.459 110.1 64.2 -79.8 0.0 20.9 12.6 0.1 58 59 A D T 3 S- 0 0 71 1,-0.2 -1,-0.3 -57,-0.0 3,-0.2 0.045 119.1 -97.7-109.3 23.1 22.4 12.7 -3.4 59 60 A Y X - 0 0 127 -3,-1.0 3,-2.4 1,-0.2 -1,-0.2 0.333 53.8 -63.2 74.3 149.9 19.0 12.9 -5.2 60 61 A P T 3 S+ 0 0 11 0, 0.0 -1,-0.2 0, 0.0 35,-0.1 0.711 116.6 95.8 -37.7 -23.0 17.1 9.9 -6.7 61 62 A F T 3 S+ 0 0 121 -3,-0.2 -2,-0.1 33,-0.2 34,-0.1 0.706 78.7 69.0 -45.2 -17.7 20.1 9.8 -9.0 62 63 A K S < S- 0 0 109 -3,-2.4 -4,-0.0 32,-0.1 -3,-0.0 -0.864 106.0 -95.8-107.2 139.3 21.2 7.2 -6.4 63 64 A P - 0 0 87 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.292 44.9-134.8 -52.6 117.9 19.5 3.8 -6.0 64 65 A P - 0 0 11 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.497 14.0-119.2 -79.0 146.5 16.9 4.2 -3.2 65 66 A K E -C 54 0B 163 -11,-1.2 -11,-1.0 -2,-0.2 2,-0.3 -0.672 31.8-177.5 -88.2 139.0 16.6 1.5 -0.5 66 67 A V E +C 53 0B 42 -2,-0.3 17,-0.4 -13,-0.2 2,-0.3 -0.992 3.1 175.5-137.1 143.4 13.3 -0.3 0.0 67 68 A A - 0 0 39 -15,-1.1 2,-0.6 -2,-0.3 -15,-0.5 -0.890 29.3-121.0-140.8 170.9 12.2 -3.0 2.5 68 69 A F - 0 0 12 12,-0.4 -17,-0.2 -2,-0.3 4,-0.1 -0.914 15.5-175.0-120.8 104.2 9.2 -5.0 3.6 69 70 A T S S+ 0 0 101 -19,-0.8 2,-0.3 -2,-0.6 -1,-0.1 0.784 70.7 77.6 -66.0 -26.7 8.1 -4.5 7.2 70 71 A T S S- 0 0 13 -20,-0.9 2,-1.3 -3,-0.1 -21,-0.1 -0.631 90.2-119.0 -87.0 143.4 5.5 -7.2 6.7 71 72 A R + 0 0 91 -2,-0.3 2,-0.6 69,-0.1 74,-0.2 -0.665 40.5 176.0 -83.8 94.2 6.5 -10.8 6.7 72 73 A I - 0 0 7 -2,-1.3 2,-1.1 6,-0.2 5,-0.1 -0.888 25.2-154.8-104.4 122.4 5.5 -12.0 3.2 73 74 A Y + 0 0 45 -2,-0.6 64,-0.1 64,-0.1 -1,-0.1 -0.316 45.4 140.9 -89.6 52.6 6.4 -15.6 2.2 74 75 A H > - 0 0 8 -2,-1.1 2,-3.1 4,-0.1 3,-2.0 -0.798 63.1-117.3 -97.5 135.2 6.4 -14.8 -1.5 75 76 A P T 3 S+ 0 0 4 0, 0.0 40,-0.2 0, 0.0 38,-0.2 -0.319 108.0 53.1 -69.1 66.6 9.1 -16.4 -3.7 76 77 A N T 3 S+ 0 0 17 -2,-3.1 8,-0.8 1,-0.3 2,-0.4 0.272 95.1 68.7-173.9 -6.3 10.7 -13.1 -4.6 77 78 A I B < -D 83 0C 4 -3,-2.0 -1,-0.3 6,-0.1 6,-0.2 -0.993 64.7-148.0-132.6 128.4 11.4 -11.4 -1.3 78 79 A N - 0 0 70 4,-0.8 -6,-0.2 -2,-0.4 3,-0.2 0.213 39.8 -88.4 -73.5-159.0 14.0 -12.4 1.3 79 80 A S S S+ 0 0 64 1,-0.2 -11,-0.1 2,-0.1 -7,-0.1 0.842 125.3 57.4 -84.4 -37.1 13.6 -11.9 5.1 80 81 A N S S- 0 0 98 1,-0.1 -12,-0.4 -13,-0.1 -1,-0.2 0.461 124.8-103.1 -72.9 1.5 15.1 -8.4 5.2 81 82 A G + 0 0 2 1,-0.2 2,-1.0 -14,-0.2 -2,-0.1 0.823 55.5 178.2 80.3 33.4 12.4 -7.5 2.8 82 83 A S - 0 0 32 -15,-0.1 -4,-0.8 36,-0.1 2,-0.5 -0.585 10.5-163.0 -73.6 102.5 14.7 -7.5 -0.3 83 84 A I B -D 77 0C 18 -2,-1.0 2,-0.7 -17,-0.4 -6,-0.1 -0.767 15.2-132.3 -91.9 127.8 12.3 -6.7 -3.1 84 85 A C + 0 0 51 -8,-0.8 2,-0.4 -2,-0.5 3,-0.1 -0.685 35.8 165.8 -81.6 113.0 13.6 -7.4 -6.6 85 86 A L >> - 0 0 22 -2,-0.7 3,-1.1 1,-0.1 4,-0.6 -0.938 30.4-161.2-133.9 111.3 13.0 -4.4 -8.9 86 87 A D G >4>S+ 0 0 84 -2,-0.4 5,-0.8 1,-0.3 3,-0.6 0.761 87.7 77.1 -59.4 -24.1 14.7 -4.1 -12.2 87 88 A I G 345S+ 0 0 21 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.919 87.6 56.7 -51.9 -47.6 13.9 -0.4 -12.0 88 89 A L G <45S+ 0 0 51 -3,-1.1 -1,-0.3 4,-0.1 4,-0.2 0.863 101.8 70.2 -53.2 -38.8 16.7 0.1 -9.6 89 90 A R T X<5S- 0 0 175 -4,-0.6 3,-0.9 -3,-0.6 -3,-0.0 0.171 127.1 -49.3 -65.6-167.8 19.1 -1.3 -12.2 90 91 A S T 3 5S+ 0 0 127 1,-0.3 2,-0.1 3,-0.0 -1,-0.1 0.737 132.4 76.9 -37.4 -26.4 20.1 0.5 -15.4 91 92 A Q T 3 < + 0 0 116 -5,-0.8 2,-0.8 2,-0.1 -1,-0.3 0.068 69.0 115.1 -77.3 28.9 16.3 0.9 -15.7 92 93 A W < - 0 0 39 -3,-0.9 -4,-0.1 -4,-0.2 -5,-0.1 -0.858 51.4-163.5-105.4 102.9 16.6 3.7 -13.1 93 94 A S > - 0 0 58 -2,-0.8 3,-1.0 1,-0.1 -2,-0.1 -0.742 25.1-131.3 -87.1 121.7 15.7 7.1 -14.6 94 95 A P T 3 S+ 0 0 54 0, 0.0 -33,-0.2 0, 0.0 -1,-0.1 0.623 109.5 37.6 -45.8 -9.5 17.0 10.0 -12.4 95 96 A A T 3 S+ 0 0 67 -35,-0.1 2,-0.3 -34,-0.1 -3,-0.0 -0.456 82.5 148.3-145.1 67.5 13.4 11.2 -12.9 96 97 A L < - 0 0 19 -3,-1.0 2,-1.3 3,-0.0 -88,-0.1 -0.759 53.2-112.4-104.0 150.5 11.0 8.3 -12.8 97 98 A T >> - 0 0 69 -2,-0.3 3,-3.8 1,-0.2 4,-0.6 -0.664 20.2-153.8 -83.2 94.3 7.4 8.3 -11.5 98 99 A I H 3> S+ 0 0 16 -2,-1.3 4,-1.9 1,-0.3 3,-0.3 0.730 88.5 81.8 -38.6 -23.6 7.6 6.2 -8.4 99 100 A S H 3> S+ 0 0 38 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.862 89.6 49.6 -53.1 -37.6 3.9 5.6 -9.2 100 101 A K H <> S+ 0 0 85 -3,-3.8 4,-2.1 2,-0.2 -1,-0.3 0.863 104.4 58.9 -70.6 -36.4 5.0 3.0 -11.8 101 102 A V H X S+ 0 0 15 -4,-0.6 4,-1.5 -3,-0.3 -2,-0.2 0.951 103.0 51.2 -57.6 -52.2 7.3 1.3 -9.2 102 103 A L H X S+ 0 0 8 -4,-1.9 4,-1.6 1,-0.3 3,-0.5 0.914 109.8 50.4 -51.9 -46.8 4.4 0.6 -6.8 103 104 A L H X S+ 0 0 79 -4,-1.3 4,-2.8 1,-0.2 5,-0.3 0.886 101.8 62.4 -60.0 -39.1 2.4 -1.0 -9.6 104 105 A S H X S+ 0 0 37 -4,-2.1 4,-1.2 1,-0.3 -1,-0.2 0.891 105.9 45.7 -53.5 -41.2 5.4 -3.2 -10.6 105 106 A I H X S+ 0 0 6 -4,-1.5 4,-1.3 -3,-0.5 -1,-0.3 0.848 110.3 54.5 -71.1 -34.5 5.2 -4.8 -7.1 106 107 A C H X S+ 0 0 10 -4,-1.6 4,-1.5 1,-0.2 3,-0.3 0.925 110.7 44.0 -65.0 -45.1 1.4 -5.2 -7.5 107 108 A S H < S+ 0 0 64 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.763 102.7 70.0 -70.7 -24.9 1.7 -7.0 -10.8 108 109 A L H >< S+ 0 0 35 -4,-1.2 3,-0.7 -5,-0.3 -1,-0.2 0.928 106.1 36.6 -57.9 -47.6 4.5 -9.1 -9.3 109 110 A L H 3< S+ 0 0 16 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.859 116.5 52.9 -74.0 -36.3 2.1 -10.9 -7.0 110 111 A C T 3< S+ 0 0 64 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.393 129.1 20.4 -79.5 5.1 -0.6 -11.0 -9.6 111 112 A D S < S+ 0 0 102 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 -0.231 81.1 174.8-170.8 68.2 1.9 -12.5 -11.9 112 113 A P - 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