==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN/ANTIBIOTIC 09-JAN-12 3VFK . COMPND 2 MOLECULE: UBIQUITIN, C-TERMINAL FUSED BY CYS-LYS-D-ALA-D-AL . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.J.ECONOMOU,S.D.WEEKS,K.C.GRASTY,P.J.LOLL . 86 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 57 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 19.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.2 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 1.2 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 . 11 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.3 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 1 0 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 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 PARALLEL BRIDGES PER LADDER . 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 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 50 0, 0.0 16,-1.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 162.7 25.7 -9.2 7.5 2 2 A Q E -A 16 0A 50 14,-0.2 62,-2.1 2,-0.0 63,-0.6 -0.921 360.0-177.1-118.2 138.8 22.5 -10.6 6.0 3 3 A I E -Ab 15 65A 0 12,-2.1 12,-2.4 -2,-0.4 2,-0.4 -0.851 17.1-132.1-128.1 165.6 18.9 -9.9 7.1 4 4 A F E -Ab 14 66A 45 61,-3.0 63,-3.4 -2,-0.3 2,-0.6 -0.953 4.4-154.9-123.6 140.0 15.5 -11.2 6.0 5 5 A V E -Ab 13 67A 4 8,-2.3 8,-1.3 -2,-0.4 2,-0.3 -0.852 12.7-168.1-116.0 95.6 12.3 -9.2 5.2 6 6 A K E - b 0 68A 99 61,-2.3 63,-2.5 -2,-0.6 6,-0.2 -0.654 13.9-163.8 -82.5 137.5 9.2 -11.3 5.7 7 7 A T E > - b 0 69A 36 4,-0.4 3,-0.7 -2,-0.3 63,-0.1 -0.531 36.1 -98.2-116.8 179.5 6.1 -9.7 4.3 8 8 A L T 3 S+ 0 0 120 61,-0.8 62,-0.1 1,-0.3 -1,-0.1 0.865 122.3 60.4 -64.6 -37.6 2.3 -9.9 4.5 9 9 A T T 3 S- 0 0 103 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.738 115.8-120.3 -61.4 -22.5 2.3 -12.0 1.3 10 10 A G < + 0 0 40 -3,-0.7 2,-0.7 1,-0.2 -2,-0.1 0.590 67.6 138.0 91.1 13.9 4.4 -14.4 3.3 11 11 A K - 0 0 126 -6,-0.0 2,-0.4 2,-0.0 -4,-0.4 -0.836 44.9-146.0 -99.8 113.9 7.4 -14.2 0.9 12 12 A T - 0 0 77 -2,-0.7 2,-0.5 -6,-0.2 -6,-0.2 -0.641 13.0-161.4 -81.1 125.7 10.8 -14.0 2.6 13 13 A I E -A 5 0A 48 -8,-1.3 -8,-2.3 -2,-0.4 2,-0.8 -0.923 13.5-134.8-112.8 130.7 13.3 -11.8 0.8 14 14 A T E -A 4 0A 76 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.721 25.4-172.1 -87.4 110.2 17.1 -12.1 1.5 15 15 A L E -A 3 0A 1 -12,-2.4 -12,-2.1 -2,-0.8 2,-0.6 -0.794 15.5-147.6-102.9 145.7 18.7 -8.7 1.8 16 16 A E E +A 2 0A 114 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.903 35.7 152.1-115.2 104.7 22.4 -8.0 2.1 17 17 A V - 0 0 3 -16,-1.3 9,-0.0 -2,-0.6 -2,-0.0 -0.520 34.9-125.0-122.2-175.5 23.2 -5.0 4.2 18 18 A E > - 0 0 109 -2,-0.2 3,-0.8 4,-0.1 38,-0.3 -0.924 30.7-109.8-132.2 158.2 25.9 -3.5 6.5 19 19 A P T 3 S+ 0 0 63 0, 0.0 38,-1.2 0, 0.0 37,-0.4 0.698 119.1 52.0 -58.4 -19.7 25.8 -2.3 10.1 20 20 A S T 3 S+ 0 0 87 35,-0.1 35,-0.0 36,-0.1 2,-0.0 0.743 81.5 105.8 -91.8 -26.8 26.2 1.3 8.7 21 21 A D S < S- 0 0 31 -3,-0.8 35,-0.9 34,-0.1 36,-0.2 -0.310 71.1-126.4 -57.2 130.0 23.4 1.2 6.2 22 22 A T B >> -E 55 0B 43 33,-0.2 4,-1.6 1,-0.1 3,-0.5 -0.336 23.4-106.2 -73.7 161.1 20.4 3.3 7.5 23 23 A I H 3> S+ 0 0 0 31,-2.0 4,-2.3 29,-0.4 5,-0.2 0.872 121.8 55.8 -54.1 -39.2 16.9 1.9 7.7 24 24 A E H 3> S+ 0 0 107 28,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.853 102.4 55.4 -65.8 -34.6 15.9 3.9 4.7 25 25 A N H <> S+ 0 0 75 -3,-0.5 4,-1.9 27,-0.2 -1,-0.2 0.893 107.6 50.1 -62.8 -40.3 18.8 2.4 2.6 26 26 A V H X S+ 0 0 0 -4,-1.6 4,-1.0 2,-0.2 3,-0.2 0.953 109.7 49.8 -60.3 -51.3 17.4 -1.0 3.5 27 27 A K H X S+ 0 0 2 -4,-2.3 4,-0.7 1,-0.2 3,-0.4 0.858 112.2 48.9 -55.5 -37.7 13.9 0.0 2.4 28 28 A A H X S+ 0 0 32 -4,-2.1 4,-0.7 1,-0.2 3,-0.4 0.805 100.1 64.2 -74.8 -30.0 15.4 1.3 -0.8 29 29 A K H X S+ 0 0 70 -4,-1.9 4,-0.8 1,-0.3 -1,-0.2 0.767 99.9 55.1 -62.2 -25.0 17.3 -1.9 -1.3 30 30 A I H X>S+ 0 0 6 -4,-1.0 4,-3.0 -3,-0.4 5,-1.3 0.792 98.3 60.8 -76.4 -30.3 13.8 -3.5 -1.6 31 31 A Q H <5S+ 0 0 90 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.707 105.9 49.3 -67.8 -18.9 13.0 -1.1 -4.4 32 32 A D H <5S+ 0 0 132 -4,-0.7 -1,-0.2 -3,-0.2 -2,-0.2 0.737 117.1 38.7 -90.4 -26.3 15.9 -2.6 -6.3 33 33 A K H <5S+ 0 0 116 -4,-0.8 -2,-0.2 3,-0.1 -3,-0.1 0.806 140.1 5.8 -92.7 -34.3 14.8 -6.2 -5.8 34 34 A E T <5S- 0 0 114 -4,-3.0 -3,-0.2 2,-0.1 -2,-0.1 0.727 91.2-117.3-119.6 -41.5 11.0 -5.8 -6.1 35 35 A G < + 0 0 44 -5,-1.3 -4,-0.2 1,-0.3 -3,-0.1 0.410 56.6 152.3 110.9 2.9 10.2 -2.3 -7.2 36 36 A I - 0 0 61 -6,-0.6 -1,-0.3 1,-0.1 -2,-0.1 -0.508 51.9-113.2 -68.3 124.9 8.3 -1.3 -4.1 37 37 A P > - 0 0 41 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.397 15.6-139.0 -58.7 129.0 8.4 2.4 -3.4 38 38 A P G > S+ 0 0 24 0, 0.0 3,-1.8 0, 0.0 -10,-0.1 0.812 101.5 66.9 -59.0 -32.2 10.4 3.1 -0.1 39 39 A D G 3 S+ 0 0 104 1,-0.3 -11,-0.0 3,-0.0 -3,-0.0 0.402 101.2 50.1 -71.8 4.9 7.8 5.7 0.8 40 40 A Q G < S+ 0 0 113 -3,-1.8 32,-0.6 31,-0.1 2,-0.4 0.206 92.7 96.6-124.5 12.2 5.3 2.9 1.1 41 41 A Q E < -C 71 0A 0 -3,-1.8 2,-0.4 30,-0.2 30,-0.2 -0.841 44.5-174.3-110.6 141.3 7.2 0.6 3.3 42 42 A R E -C 70 0A 49 28,-1.9 28,-2.1 -2,-0.4 2,-0.5 -0.847 14.2-155.7-133.0 99.8 7.1 0.2 7.1 43 43 A L E -C 69 0A 0 -2,-0.4 7,-1.4 7,-0.2 2,-0.4 -0.623 10.7-166.6 -77.8 118.6 9.7 -2.2 8.5 44 44 A I E +CD 68 49A 44 24,-3.1 24,-2.8 -2,-0.5 2,-0.3 -0.860 13.0 166.2-105.1 140.7 8.6 -3.7 11.8 45 45 A F E > - D 0 48A 49 3,-2.2 3,-1.2 -2,-0.4 22,-0.1 -0.938 65.0 -1.4-155.9 131.6 11.1 -5.6 14.1 46 46 A A T 3 S- 0 0 78 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.934 128.2 -58.9 53.7 48.0 10.9 -6.7 17.7 47 47 A G T 3 S+ 0 0 81 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.741 114.5 120.7 54.6 25.9 7.4 -5.1 18.0 48 48 A K E < -D 45 0A 141 -3,-1.2 -3,-2.2 3,-0.0 2,-1.3 -0.967 67.2-131.0-124.5 138.1 9.0 -1.7 17.0 49 49 A Q E -D 44 0A 93 -2,-0.4 -5,-0.2 -5,-0.2 -6,-0.1 -0.693 36.6-134.0 -84.2 92.4 8.2 0.6 14.1 50 50 A L - 0 0 1 -7,-1.4 -7,-0.2 -2,-1.3 2,-0.1 -0.175 16.4-125.5 -54.1 130.0 11.8 1.2 12.8 51 51 A E - 0 0 87 1,-0.1 3,-0.2 4,-0.1 -28,-0.2 -0.358 10.4-128.5 -73.8 156.6 12.5 4.9 12.1 52 52 A D S S+ 0 0 50 1,-0.2 2,-1.7 -29,-0.1 -28,-1.5 0.970 98.7 53.8 -70.8 -56.8 13.8 5.9 8.7 53 53 A G S S+ 0 0 53 -30,-0.2 2,-0.2 -31,-0.1 -1,-0.2 -0.568 91.8 87.1 -84.7 79.4 16.8 8.0 9.7 54 54 A R - 0 0 99 -2,-1.7 -31,-2.0 -3,-0.2 -30,-0.1 -0.789 69.5-122.7-175.2 127.9 18.6 5.4 11.9 55 55 A T B -E 22 0B 29 -33,-0.3 4,-0.4 -2,-0.2 -33,-0.2 -0.024 29.0-109.7 -69.2 176.4 21.2 2.7 11.2 56 56 A L S > >S+ 0 0 1 -35,-0.9 3,-1.8 -37,-0.4 5,-1.6 0.884 115.1 62.1 -73.5 -40.7 20.8 -1.0 12.1 57 57 A S G > 5S+ 0 0 72 -38,-1.2 3,-1.1 1,-0.3 -1,-0.2 0.814 94.6 62.8 -56.4 -32.8 23.4 -0.9 14.8 58 58 A D G 3 5S+ 0 0 104 1,-0.3 -1,-0.3 -39,-0.2 -2,-0.2 0.796 108.7 41.8 -62.2 -27.9 21.2 1.6 16.7 59 59 A Y G < 5S- 0 0 48 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.363 109.8-125.1 -99.3 2.1 18.6 -1.1 16.9 60 60 A N T < 5 + 0 0 126 -3,-1.1 2,-0.5 -4,-0.4 -3,-0.2 0.745 44.8 174.3 58.9 23.8 21.2 -3.8 17.8 61 61 A I < - 0 0 6 -5,-1.6 -1,-0.2 -42,-0.1 2,-0.1 -0.504 16.3-155.5 -64.4 114.4 19.8 -5.8 14.8 62 62 A Q - 0 0 130 -2,-0.5 3,-0.2 1,-0.2 -1,-0.0 -0.419 27.6 -65.0 -95.7 167.6 22.2 -8.7 14.6 63 63 A K S S+ 0 0 129 1,-0.2 -1,-0.2 -2,-0.1 -60,-0.1 -0.059 117.1 20.5 -46.4 145.0 23.2 -11.1 11.8 64 64 A E S S+ 0 0 92 -62,-2.1 2,-0.2 1,-0.2 -61,-0.2 0.939 88.6 157.9 57.0 53.7 20.5 -13.3 10.4 65 65 A S E -b 3 0A 13 -63,-0.6 -61,-3.0 -3,-0.2 2,-0.5 -0.690 35.6-135.4-105.5 161.1 17.6 -11.2 11.6 66 66 A T E -b 4 0A 64 -2,-0.2 -61,-0.2 -63,-0.2 2,-0.2 -0.953 19.9-175.0-124.6 115.5 14.0 -11.1 10.3 67 67 A L E -b 5 0A 0 -63,-3.4 -61,-2.3 -2,-0.5 2,-0.5 -0.507 22.1-122.8 -97.8 170.5 12.1 -7.8 9.8 68 68 A H E -bC 6 44A 89 -24,-2.8 -24,-3.1 -63,-0.2 2,-0.9 -0.968 11.1-152.2-120.9 124.5 8.5 -7.4 8.8 69 69 A L E +bC 7 43A 18 -63,-2.5 -61,-0.8 -2,-0.5 -26,-0.2 -0.827 31.4 155.9 -96.6 104.0 7.4 -5.4 5.7 70 70 A V E - C 0 42A 34 -28,-2.1 -28,-1.9 -2,-0.9 2,-0.4 -0.533 46.6 -87.7-110.2-176.5 4.0 -3.9 6.3 71 71 A L E - C 0 41A 117 -30,-0.2 -30,-0.2 -2,-0.2 -31,-0.1 -0.805 49.4 -95.5 -98.5 138.0 2.3 -0.9 4.7 72 72 A R - 0 0 104 -32,-0.6 2,-0.6 -2,-0.4 -1,-0.1 -0.238 38.1-131.5 -50.6 122.6 2.7 2.5 6.2 73 73 A L - 0 0 148 1,-0.1 2,-0.5 -3,-0.0 -1,-0.1 -0.707 18.5-123.2 -79.2 119.3 -0.2 3.3 8.5 74 74 A R - 0 0 187 -2,-0.6 -1,-0.1 1,-0.1 -2,-0.0 -0.507 35.3-127.1 -64.0 114.0 -1.7 6.7 7.8 75 75 A G - 0 0 31 -2,-0.5 -1,-0.1 1,-0.1 -3,-0.0 -0.205 15.6-155.3 -64.5 154.9 -1.4 8.5 11.1 76 76 A X + 0 0 233 10,-0.0 2,-0.8 3,-0.0 -1,-0.1 0.428 67.9 99.3-109.2 -2.5 -4.4 10.1 12.7 77 77 A K S S+ 0 0 133 2,-0.0 10,-1.2 0, 0.0 9,-0.6 -0.786 76.7 28.0 -89.0 114.8 -2.3 12.5 14.8 78 78 A X B F 85 0C 33 -2,-0.8 7,-0.2 8,-0.2 0, 0.0 -0.799 360.0 360.0 131.1-175.1 -2.2 15.9 13.1 79 79 A X 0 0 24 5,-2.9 3,-2.9 -2,-0.3 4,-0.4 0.344 360.0 360.0 144.1 360.0 -4.4 17.9 10.8 80 !* 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 81 1 G X 0 0 164 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-164.4 -6.4 22.2 12.1 82 2 G X + 0 0 187 -3,-2.9 0, 0.0 2,-0.1 0, 0.0 0.649 360.0 62.8 121.7 28.7 -5.0 23.7 8.9 83 3 G X S S- 0 0 163 -4,-0.4 2,-0.3 1,-0.2 -5,-0.0 0.529 78.5-126.5-143.0 -67.5 -1.4 22.5 8.7 84 4 G X + 0 0 59 0, 0.0 -5,-2.9 0, 0.0 2,-0.3 -0.920 33.2 151.5 147.6-119.4 -0.5 18.7 8.4 85 5 G X B -F 78 0C 129 -2,-0.3 -7,-0.1 1,-0.2 2,-0.0 -0.981 38.8-146.1 132.4-150.2 1.7 16.4 10.4 86 6 G X 0 0 94 -9,-0.6 -1,-0.2 -2,-0.3 -8,-0.2 0.466 360.0 360.0-106.9 140.7 1.9 13.7 11.0 87 7 G X 0 0 177 -10,-1.2 -9,-0.1 -3,-0.2 -2,-0.1 0.847 360.0 360.0 -91.2 360.0 3.3 13.7 14.6