==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 30-OCT-09 2WX1 . COMPND 2 MOLECULE: UBIQUITIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR Y.KULATHU,M.AKUTSU,A.BREMM,K.HOFMANN,D.KOMANDER . 170 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8977.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 20.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 . 15 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 1 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 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 PARALLEL BRIDGES PER LADDER . 4 3 0 1 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 . 0 0 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 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 61 0, 0.0 16,-2.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 138.6 1.5 24.4 -25.0 2 2 A Q E +A 16 0A 42 14,-0.2 62,-1.4 12,-0.0 14,-0.2 -0.673 360.0 173.1 -82.9 119.0 -2.1 25.0 -23.7 3 3 A I E -A 15 0A 0 12,-2.4 12,-1.9 -2,-0.6 2,-0.3 -0.556 21.5-124.4-113.0-177.7 -3.5 22.0 -21.8 4 4 A F E -Ab 14 66A 69 61,-2.0 63,-3.2 10,-0.2 2,-0.4 -0.964 8.6-160.1-134.3 148.1 -6.7 21.5 -19.8 5 5 A V E -Ab 13 67A 0 8,-2.4 8,-1.4 -2,-0.3 2,-0.9 -0.806 13.5-158.7-128.6 90.8 -7.6 20.4 -16.3 6 6 A K E -Ab 12 68A 16 61,-1.9 63,-1.2 -2,-0.4 6,-0.3 -0.576 16.6-146.0 -73.0 105.4 -11.2 19.3 -16.1 7 7 A T > - 0 0 23 4,-2.2 3,-1.2 -2,-0.9 63,-0.1 -0.063 27.6-101.8 -62.7 171.4 -12.2 19.6 -12.4 8 8 A L T 3 S+ 0 0 75 61,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.137 117.9 62.8 -85.1 21.5 -14.6 17.1 -10.8 9 9 A T T 3 S- 0 0 121 2,-0.3 -1,-0.2 0, 0.0 3,-0.1 0.178 120.9 -98.3-127.1 12.4 -17.4 19.6 -11.1 10 10 A G S < S+ 0 0 64 -3,-1.2 -2,-0.1 1,-0.3 -3,-0.0 0.002 83.7 130.4 94.1 -28.4 -17.5 20.0 -14.8 11 11 A K - 0 0 53 -5,-0.1 -4,-2.2 1,-0.1 2,-0.5 -0.261 46.6-148.3 -60.5 143.3 -15.4 23.1 -14.8 12 12 A T E -A 6 0A 88 -6,-0.3 2,-0.4 -3,-0.1 -6,-0.2 -0.970 5.5-155.2-120.9 126.4 -12.4 23.1 -17.2 13 13 A I E -A 5 0A 16 -8,-1.4 -8,-2.4 -2,-0.5 2,-0.6 -0.825 7.7-143.4-103.4 135.9 -9.2 25.0 -16.5 14 14 A T E -A 4 0A 94 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.867 23.3-179.6-101.0 118.5 -6.8 26.2 -19.2 15 15 A L E -A 3 0A 12 -12,-1.9 -12,-2.4 -2,-0.6 2,-0.6 -0.848 22.7-144.1-116.4 152.5 -3.1 26.0 -18.4 16 16 A E E +A 2 0A 151 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.927 38.2 151.5-117.2 106.9 0.0 27.0 -20.3 17 17 A V - 0 0 5 -16,-2.2 -2,-0.0 -2,-0.6 9,-0.0 -0.870 40.3-119.3-133.6 162.6 2.9 24.6 -19.7 18 18 A E > - 0 0 38 -2,-0.3 3,-2.4 1,-0.1 38,-0.3 -0.771 29.9-116.8-101.4 149.8 6.0 23.2 -21.4 19 19 A P T 3 S+ 0 0 68 0, 0.0 38,-1.7 0, 0.0 37,-0.3 0.610 115.6 60.2 -58.4 -11.6 6.5 19.5 -22.1 20 20 A S T 3 S+ 0 0 88 36,-0.2 2,-0.4 35,-0.1 0, 0.0 0.242 79.6 114.9-101.8 11.0 9.5 19.7 -19.7 21 21 A D < - 0 0 28 -3,-2.4 35,-1.3 1,-0.1 36,-0.1 -0.673 61.6-132.4 -85.6 134.1 7.4 20.7 -16.7 22 22 A T B > -E 55 0B 41 -2,-0.4 4,-1.6 33,-0.2 33,-0.3 -0.229 24.3-108.7 -75.2 170.2 7.2 18.4 -13.8 23 23 A I H > S+ 0 0 0 31,-1.8 4,-2.8 28,-0.4 5,-0.2 0.852 120.7 59.2 -68.8 -34.7 3.9 17.5 -12.1 24 24 A E H > S+ 0 0 46 28,-0.9 4,-1.0 30,-0.3 -1,-0.2 0.814 106.2 49.8 -62.1 -30.8 4.9 19.6 -9.1 25 25 A N H > S+ 0 0 73 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.886 110.2 48.6 -73.1 -41.8 5.1 22.5 -11.5 26 26 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.932 110.9 49.7 -64.3 -47.1 1.7 21.8 -12.9 27 27 A K H X S+ 0 0 8 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.835 108.9 55.0 -60.0 -32.7 0.1 21.5 -9.5 28 28 A A H X S+ 0 0 35 -4,-1.0 4,-0.9 -5,-0.2 -1,-0.2 0.879 107.2 48.7 -67.3 -39.3 1.8 24.8 -8.6 29 29 A K H X S+ 0 0 60 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.833 108.1 54.4 -70.1 -33.4 0.2 26.5 -11.6 30 30 A I H >< S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.2 4,-0.5 0.853 103.0 57.2 -67.1 -34.9 -3.2 25.1 -10.7 31 31 A Q H 3X S+ 0 0 81 -4,-1.5 4,-2.0 1,-0.2 3,-0.5 0.817 100.6 58.3 -64.7 -31.3 -2.8 26.7 -7.2 32 32 A D H 3< S+ 0 0 138 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.776 115.8 33.5 -69.8 -27.1 -2.4 30.1 -8.8 33 33 A K T << S+ 0 0 59 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.267 135.7 22.4-114.2 9.2 -5.8 29.9 -10.5 34 34 A E T 4 S- 0 0 102 -3,-0.5 -3,-0.2 -4,-0.5 -2,-0.2 0.433 89.5-127.6-146.1 -20.0 -7.7 27.9 -7.9 35 35 A G < + 0 0 54 -4,-2.0 -4,-0.2 -5,-0.4 -3,-0.1 0.672 58.4 145.9 72.5 17.2 -5.9 28.4 -4.6 36 36 A I - 0 0 37 -6,-0.4 -1,-0.2 -9,-0.1 -3,-0.1 -0.797 52.7-121.0 -92.3 115.7 -5.8 24.6 -4.1 37 37 A P > - 0 0 32 0, 0.0 3,-2.5 0, 0.0 4,-0.4 -0.268 17.3-126.1 -53.4 134.8 -2.6 23.5 -2.3 38 38 A P G > S+ 0 0 36 0, 0.0 3,-0.6 0, 0.0 -10,-0.1 0.742 111.7 57.6 -55.4 -26.6 -0.6 21.0 -4.5 39 39 A D G 3 S+ 0 0 137 1,-0.2 -3,-0.0 -12,-0.0 -12,-0.0 0.532 102.5 54.6 -83.3 -7.2 -0.8 18.5 -1.5 40 40 A Q G < S+ 0 0 93 -3,-2.5 32,-3.2 31,-0.1 2,-0.3 0.435 104.0 67.4-100.2 -3.0 -4.6 18.7 -1.5 41 41 A Q E < -C 71 0A 7 -3,-0.6 2,-0.4 -4,-0.4 30,-0.2 -0.870 57.4-163.1-125.6 152.5 -4.9 17.7 -5.2 42 42 A R E -C 70 0A 6 28,-0.6 28,-2.5 -2,-0.3 2,-0.5 -0.991 13.5-142.2-133.2 142.0 -4.2 14.7 -7.4 43 43 A L E -C 69 0A 0 7,-0.4 7,-2.6 -2,-0.4 2,-0.4 -0.897 12.3-167.0-110.5 129.9 -3.9 14.5 -11.2 44 44 A I E +CD 68 49A 0 24,-2.2 24,-2.1 -2,-0.5 2,-0.3 -0.952 13.4 164.3-117.8 131.4 -5.2 11.6 -13.3 45 45 A F E > - D 0 48A 40 3,-2.3 3,-0.5 -2,-0.4 22,-0.1 -0.986 67.5 -3.0-148.7 134.0 -4.3 11.0 -16.9 46 46 A A T 3 S- 0 0 84 -2,-0.3 108,-0.1 1,-0.2 3,-0.1 0.717 131.5 -56.1 58.7 20.9 -4.7 8.0 -19.2 47 47 A G T 3 S+ 0 0 10 106,-0.3 109,-0.7 1,-0.2 2,-0.3 0.848 117.7 100.5 81.4 37.4 -6.0 6.2 -16.2 48 48 A K E < S-D 45 0A 45 -3,-0.5 -3,-2.3 107,-0.1 2,-0.3 -0.978 72.2-115.9-155.3 138.3 -3.0 6.7 -13.9 49 49 A Q E -D 44 0A 94 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.587 36.7-123.1 -75.8 131.6 -2.1 9.1 -11.0 50 50 A L - 0 0 2 -7,-2.6 -7,-0.4 -2,-0.3 2,-0.2 -0.604 18.8-131.0 -81.8 129.1 0.8 11.4 -11.9 51 51 A E - 0 0 42 -2,-0.4 -28,-0.4 1,-0.1 3,-0.4 -0.572 14.5-127.5 -79.0 140.1 3.8 11.3 -9.6 52 52 A D S S+ 0 0 89 -2,-0.2 -28,-0.9 1,-0.2 -27,-0.1 0.577 105.6 57.2 -64.0 -8.5 5.1 14.6 -8.4 53 53 A G S S+ 0 0 63 -30,-0.1 -1,-0.2 -31,-0.1 -3,-0.0 0.883 92.1 72.1 -90.1 -44.4 8.6 13.6 -9.6 54 54 A R S S- 0 0 148 -3,-0.4 -31,-1.8 -32,-0.1 -30,-0.3 0.025 72.6-130.5 -66.4 176.8 8.0 12.9 -13.3 55 55 A T B > -E 22 0B 25 -33,-0.3 4,-1.1 -32,-0.1 -33,-0.2 -0.472 28.2 -96.8-115.8-170.3 7.4 15.4 -16.0 56 56 A L T 4>S+ 0 0 0 -35,-1.3 5,-2.9 -37,-0.3 4,-0.3 0.854 122.1 54.4 -78.4 -37.2 4.8 15.8 -18.8 57 57 A S T 45S+ 0 0 66 -38,-1.7 3,-0.4 3,-0.2 -1,-0.2 0.843 104.7 56.2 -64.3 -34.0 7.1 14.3 -21.5 58 58 A D T 45S+ 0 0 107 1,-0.2 -1,-0.2 -39,-0.2 -2,-0.2 0.918 112.9 39.1 -63.8 -45.0 7.5 11.3 -19.3 59 59 A Y T <5S- 0 0 63 -4,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.390 117.1-118.7 -85.3 2.5 3.7 10.7 -19.1 60 60 A N T 5 + 0 0 131 -3,-0.4 2,-0.7 -4,-0.3 -3,-0.2 0.906 44.3 177.9 62.8 46.7 3.6 11.7 -22.8 61 61 A I < - 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