==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 06-JAN-09 2KDE . COMPND 2 MOLECULE: UBIQUITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; . AUTHOR N.ZHANG,Q.WANG,A.EHLINGER,L.RANDLES,J.W.LARY,Y.KANG, . 263 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 11.4 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 27 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 . 3 1 1 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 B M 0 0 63 0, 0.0 16,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 154.5 25.8 -18.4 1.3 2 2 B Q E +A 16 0A 92 14,-0.3 62,-2.5 2,-0.0 2,-0.2 -0.894 360.0 178.4-123.7 103.8 22.7 -16.2 1.5 3 3 B I E -A 15 0A 0 12,-2.2 12,-2.5 -2,-0.5 2,-0.4 -0.685 19.4-136.2-102.7 158.3 20.6 -16.1 -1.7 4 4 B F E -Ab 14 66A 55 61,-2.2 63,-2.6 -2,-0.2 2,-0.6 -0.913 8.5-157.7-115.1 139.7 17.3 -14.3 -2.4 5 5 B V E -Ab 13 67A 0 8,-2.8 8,-2.5 -2,-0.4 2,-0.2 -0.925 9.2-154.0-119.3 111.6 14.2 -15.7 -4.1 6 6 B K E -Ab 12 68A 80 61,-2.3 63,-2.7 -2,-0.6 6,-0.2 -0.574 12.4-161.6 -82.4 144.3 11.7 -13.2 -5.7 7 7 B T > - 0 0 23 4,-2.0 3,-0.5 -2,-0.2 63,-0.1 -0.354 36.9 -90.5-110.4-166.3 8.1 -14.3 -6.0 8 8 B L T 3 S+ 0 0 63 1,-0.2 -2,-0.0 -2,-0.1 62,-0.0 0.016 115.3 64.0 -97.3 29.6 5.1 -13.0 -8.2 9 9 B T T 3 S- 0 0 110 2,-0.3 -1,-0.2 0, 0.0 3,-0.1 0.047 118.4 -95.6-138.0 27.1 4.0 -10.6 -5.5 10 10 B G S < S+ 0 0 73 -3,-0.5 2,-0.4 1,-0.2 -2,-0.1 0.858 89.9 124.1 62.1 31.8 6.9 -8.1 -5.2 11 11 B K - 0 0 105 -4,-0.0 -4,-2.0 2,-0.0 2,-0.4 -0.979 42.1-168.0-128.5 126.6 8.2 -10.2 -2.2 12 12 B T E -A 6 0A 52 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.3 -0.922 9.9-148.4-114.8 136.0 11.7 -11.8 -2.0 13 13 B I E -A 5 0A 12 -8,-2.5 -8,-2.8 -2,-0.4 2,-0.7 -0.805 8.1-140.7-102.7 143.1 12.8 -14.4 0.6 14 14 B T E +A 4 0A 52 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.872 24.7 178.4-104.5 111.8 16.3 -14.6 1.9 15 15 B L E -A 3 0A 9 -12,-2.5 -12,-2.2 -2,-0.7 2,-0.7 -0.934 26.0-133.4-116.3 134.1 17.5 -18.2 2.4 16 16 B E E +A 2 0A 154 -2,-0.4 -14,-0.3 -14,-0.2 2,-0.2 -0.718 48.5 136.8 -85.2 116.8 21.0 -19.3 3.6 17 17 B V - 0 0 6 -16,-2.4 46,-0.0 -2,-0.7 0, 0.0 -0.643 41.3-118.4-139.5-162.0 22.3 -22.1 1.4 18 18 B E > - 0 0 112 -2,-0.2 3,-1.3 -16,-0.0 38,-0.3 -0.902 31.0-103.5-141.9 170.2 25.6 -23.2 -0.4 19 19 B P T 3 S+ 0 0 63 0, 0.0 38,-1.9 0, 0.0 39,-0.3 0.663 119.9 54.7 -71.8 -14.3 26.8 -23.8 -3.9 20 20 B S T 3 S+ 0 0 92 36,-0.2 2,-0.3 35,-0.1 0, 0.0 0.217 82.6 114.5-102.8 16.7 26.5 -27.6 -3.3 21 21 B D < - 0 0 29 -3,-1.3 35,-1.5 1,-0.1 36,-0.2 -0.658 67.0-122.2 -87.8 141.9 22.8 -27.5 -2.3 22 22 B T B > -E 55 0B 49 -2,-0.3 4,-1.9 33,-0.2 3,-0.4 -0.501 15.8-122.5 -80.9 151.4 20.3 -29.2 -4.5 23 23 B I H > S+ 0 0 0 31,-2.6 4,-2.6 28,-0.4 5,-0.2 0.891 114.9 58.3 -60.4 -35.5 17.4 -27.2 -6.0 24 24 B E H > S+ 0 0 97 28,-1.4 4,-1.7 30,-0.3 -1,-0.2 0.887 104.4 51.5 -62.3 -35.1 15.0 -29.7 -4.3 25 25 B N H > S+ 0 0 59 -3,-0.4 4,-1.6 27,-0.3 -1,-0.2 0.920 109.2 49.5 -68.6 -41.1 16.6 -28.7 -1.0 26 26 B V H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 5,-0.2 0.942 108.8 52.3 -63.7 -44.4 16.0 -25.0 -1.7 27 27 B K H X S+ 0 0 7 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.894 107.2 53.4 -59.6 -36.6 12.4 -25.6 -2.6 28 28 B A H X S+ 0 0 28 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.878 106.1 53.7 -66.7 -34.2 11.9 -27.4 0.7 29 29 B K H X S+ 0 0 74 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.934 110.0 45.6 -66.7 -43.7 13.3 -24.4 2.5 30 30 B I H X>S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-1.0 0.826 110.4 55.9 -69.3 -28.2 10.8 -22.0 0.9 31 31 B Q H <5S+ 0 0 66 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.890 109.0 45.4 -71.5 -37.1 8.0 -24.6 1.7 32 32 B D H <5S+ 0 0 126 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.816 118.8 43.2 -75.8 -28.7 8.8 -24.6 5.4 33 33 B K H <5S+ 0 0 141 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.915 136.5 12.1 -82.6 -45.6 9.1 -20.7 5.5 34 34 B E T <5S- 0 0 69 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.879 95.2-123.7 -97.3 -54.4 6.0 -20.0 3.3 35 35 B G < + 0 0 50 -5,-1.0 -4,-0.2 1,-0.4 -3,-0.1 0.195 59.8 137.1 128.1 -15.2 4.1 -23.3 3.1 36 36 B I - 0 0 47 -6,-0.4 -1,-0.4 1,-0.1 -2,-0.1 -0.353 60.9-105.3 -63.0 143.5 3.9 -23.8 -0.7 37 37 B P > - 0 0 41 0, 0.0 4,-1.6 0, 0.0 3,-0.3 -0.330 18.2-131.6 -68.3 151.6 4.7 -27.3 -1.9 38 38 B P T 4 S+ 0 0 40 0, 0.0 -10,-0.1 0, 0.0 -2,-0.1 0.892 103.6 63.3 -72.6 -40.7 8.1 -28.0 -3.6 39 39 B D T 4 S+ 0 0 113 1,-0.2 -3,-0.0 3,-0.0 -15,-0.0 0.776 111.4 40.7 -56.5 -22.3 6.6 -29.9 -6.6 40 40 B Q T 4 S+ 0 0 58 -3,-0.3 32,-1.3 31,-0.1 -1,-0.2 0.825 93.8 92.1 -94.3 -37.5 4.8 -26.6 -7.5 41 41 B Q E < -C 71 0A 0 -4,-1.6 2,-0.5 30,-0.2 30,-0.2 -0.369 60.9-163.9 -59.9 127.4 7.7 -24.1 -6.7 42 42 B R E -C 70 0A 29 28,-2.1 28,-1.4 -2,-0.1 2,-0.8 -0.954 8.7-152.2-119.4 120.7 9.7 -23.5 -9.9 43 43 B L E +C 69 0A 0 -2,-0.5 7,-2.3 7,-0.3 2,-0.5 -0.783 20.1 177.5 -93.9 108.1 13.2 -21.9 -9.6 44 44 B I E -CD 68 49A 18 24,-2.7 24,-2.6 -2,-0.8 2,-0.4 -0.917 4.1-176.7-112.2 132.9 14.0 -20.0 -12.9 45 45 B F - 0 0 56 3,-2.5 22,-0.1 -2,-0.5 -2,-0.0 -0.988 69.7 -8.4-130.5 134.9 17.2 -18.1 -13.3 46 46 B A S S- 0 0 61 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.809 134.5 -50.7 53.6 27.2 18.3 -15.9 -16.3 47 47 B G S S+ 0 0 32 1,-0.2 2,-0.3 131,-0.1 -1,-0.2 0.950 117.6 108.5 77.6 50.5 15.2 -17.3 -18.1 48 48 B K - 0 0 139 2,-0.0 -3,-2.5 0, 0.0 -1,-0.2 -0.865 65.1-127.9-160.3 122.6 15.9 -21.0 -17.4 49 49 B Q B -D 44 0A 91 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.445 28.6-132.7 -70.5 141.9 14.2 -23.5 -15.1 50 50 B L - 0 0 1 -7,-2.3 -7,-0.3 -2,-0.1 2,-0.1 -0.722 16.9-117.6 -97.4 147.2 16.6 -25.4 -12.7 51 51 B E - 0 0 116 -2,-0.3 -28,-0.4 4,-0.1 -27,-0.1 -0.419 13.4-131.0 -78.6 157.3 16.4 -29.2 -12.2 52 52 B D S S+ 0 0 69 1,-0.2 -28,-1.4 -29,-0.2 -27,-0.3 0.777 107.5 50.1 -79.4 -25.6 15.7 -30.7 -8.8 53 53 B G S S+ 0 0 66 -30,-0.1 -1,-0.2 -31,-0.1 2,-0.0 0.800 99.4 78.7 -82.4 -28.6 18.7 -33.0 -8.9 54 54 B R S S- 0 0 110 -32,-0.1 -31,-2.6 1,-0.1 -30,-0.3 -0.307 75.8-134.2 -75.3 164.1 21.1 -30.3 -9.9 55 55 B T B -E 22 0B 19 -33,-0.3 4,-0.4 -32,-0.1 -33,-0.2 -0.353 28.9 -94.4-106.9-169.5 22.5 -27.8 -7.3 56 56 B L S > >S+ 0 0 0 -35,-1.5 5,-1.3 -38,-0.3 3,-0.5 0.796 121.1 57.0 -78.8 -27.4 23.0 -24.0 -7.2 57 57 B S G > 5S+ 0 0 54 -38,-1.9 3,-2.2 -36,-0.2 -1,-0.2 0.848 93.2 67.4 -72.9 -32.1 26.6 -24.3 -8.4 58 58 B D G 3 5S+ 0 0 74 -39,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.799 105.3 44.4 -59.0 -25.3 25.6 -26.2 -11.6 59 59 B Y G < 5S- 0 0 51 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.085 120.3-107.7-106.4 24.3 23.9 -23.0 -12.7 60 60 B N T < 5 + 0 0 153 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.959 60.3 166.7 51.5 56.7 26.7 -20.6 -11.8 61 61 B I < + 0 0 7 -5,-1.3 -1,-0.2 -42,-0.1 2,-0.2 -0.858 10.3 179.1-105.5 136.7 24.8 -19.1 -8.8 62 62 B Q > - 0 0 137 -2,-0.4 3,-0.8 1,-0.2 -44,-0.0 -0.472 39.1 -58.0-119.7-167.2 26.6 -17.0 -6.1 63 63 B K T 3 S+ 0 0 119 1,-0.2 -1,-0.2 -2,-0.2 -60,-0.2 -0.278 118.7 22.5 -71.7 162.0 25.6 -15.2 -2.9 64 64 B E T 3 S+ 0 0 127 -62,-2.5 2,-0.4 1,-0.2 -1,-0.2 0.774 87.8 157.7 53.3 24.4 23.0 -12.4 -2.9 65 65 B S < - 0 0 21 -3,-0.8 -61,-2.2 -63,-0.1 2,-0.7 -0.650 37.1-140.5 -82.3 131.0 21.7 -14.1 -6.2 66 66 B T E -b 4 0A 54 -2,-0.4 2,-0.3 -63,-0.2 -61,-0.2 -0.803 19.1-166.0 -94.6 116.4 18.0 -13.3 -7.0 67 67 B L E -b 5 0A 0 -63,-2.6 -61,-2.3 -2,-0.7 2,-0.8 -0.720 20.9-123.4-100.0 151.2 16.1 -16.3 -8.3 68 68 B H E -bC 6 44A 22 -24,-2.6 -24,-2.7 -2,-0.3 2,-0.2 -0.803 26.5-157.3 -96.2 108.3 12.7 -16.1 -10.1 69 69 B L E - C 0 43A 9 -63,-2.7 2,-0.3 -2,-0.8 -26,-0.2 -0.577 14.0-178.0 -83.4 145.8 10.2 -18.3 -8.3 70 70 B V E - C 0 42A 1 -28,-1.4 -28,-2.1 -2,-0.2 2,-0.5 -0.920 23.7-123.8-138.8 165.0 7.1 -19.6 -10.2 71 71 B L E - C 0 41A 59 -2,-0.3 2,-0.5 -30,-0.2 -30,-0.2 -0.941 17.7-149.3-115.8 125.6 4.0 -21.7 -9.5 72 72 B R + 0 0 113 -32,-1.3 2,-0.4 -2,-0.5 100,-0.0 -0.787 21.2 173.5 -94.2 128.1 3.1 -24.8 -11.6 73 73 B L - 0 0 84 -2,-0.5 2,-0.6 -33,-0.0 101,-0.1 -0.989 27.4-155.7-137.0 129.7 -0.6 -25.6 -12.0 74 74 B R S S+ 0 0 210 -2,-0.4 98,-0.0 1,-0.1 -2,-0.0 -0.316 88.2 49.4 -97.2 52.6 -2.2 -28.3 -14.2 75 75 B G 0 0 68 -2,-0.6 -1,-0.1 0, 0.0 62,-0.0 0.361 360.0 360.0-148.7 -58.6 -5.6 -26.5 -14.5 76 76 B G 0 0 53 47,-0.0 96,-0.1 60,-0.0 -2,-0.1 -0.463 360.0 360.0 148.7 360.0 -5.4 -22.8 -15.5 77 !* 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 78 77 C M 0 0 58 0, 0.0 16,-2.7 0, 0.0 2,-1.1 0.000 360.0 360.0 360.0 113.7 -26.1 -20.4 -19.0 79 78 C Q E +F 93 0C 103 14,-0.2 62,-2.0 12,-0.0 14,-0.2 -0.688 360.0 172.3 -85.4 100.0 -27.2 -18.0 -16.3 80 79 C I E -F 92 0C 0 12,-2.5 12,-2.1 -2,-1.1 2,-0.4 -0.597 25.6-130.2-103.5 168.0 -23.9 -16.7 -14.7 81 80 C F E -Fg 91 143C 47 61,-2.3 63,-2.7 10,-0.2 2,-0.6 -0.961 11.4-161.0-121.7 134.3 -23.3 -13.9 -12.2 82 81 C V E -Fg 90 144C 0 8,-2.5 8,-1.8 -2,-0.4 2,-0.2 -0.919 9.8-159.1-116.7 111.4 -20.8 -11.1 -12.5 83 82 C K E -Fg 89 145C 82 61,-1.6 63,-1.3 -2,-0.6 6,-0.2 -0.579 7.7-154.1 -86.7 150.7 -19.8 -9.3 -9.3 84 83 C T - 0 0 24 4,-1.4 63,-0.1 -2,-0.2 -1,-0.1 -0.428 29.7-103.1-111.1-171.2 -18.3 -5.7 -9.4 85 84 C L S S+ 0 0 38 61,-0.2 62,-0.1 1,-0.2 -1,-0.1 0.787 116.4 59.1 -85.9 -28.2 -16.0 -3.8 -7.0 86 85 C T S S- 0 0 113 2,-0.1 -1,-0.2 1,-0.0 -3,-0.0 0.829 124.8 -96.9 -70.1 -29.1 -18.8 -1.6 -5.6 87 86 C G S S+ 0 0 66 1,-0.3 2,-0.4 0, 0.0 -2,-0.1 0.706 81.1 126.0 115.9 40.2 -20.7 -4.7 -4.4 88 87 C K - 0 0 110 2,-0.0 -4,-1.4 -6,-0.0 2,-0.3 -0.989 40.5-156.3-131.3 133.1 -23.2 -5.4 -7.2 89 88 C T E -F 83 0C 67 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.3 -0.832 6.9-154.7-107.9 145.5 -23.7 -8.7 -9.1 90 89 C I E -F 82 0C 12 -8,-1.8 -8,-2.5 -2,-0.3 2,-0.9 -0.924 16.5-128.5-119.6 144.5 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116.3 57.2 -60.2 -37.2 -15.0 -12.6 -22.8 101 100 C E H > S+ 0 0 115 28,-1.3 4,-1.8 30,-0.3 -1,-0.2 0.908 104.2 52.3 -61.1 -38.1 -15.4 -9.5 -25.1 102 101 C N H > S+ 0 0 61 27,-0.3 4,-1.8 -3,-0.2 -1,-0.2 0.923 107.8 51.2 -64.7 -40.8 -19.0 -10.6 -25.9 103 102 C V H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.928 106.4 54.6 -62.7 -41.6 -19.7 -10.8 -22.1 104 103 C K H X S+ 0 0 11 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.908 105.8 52.9 -59.4 -38.5 -18.3 -7.3 -21.7 105 104 C A H X S+ 0 0 39 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.903 105.7 54.6 -64.6 -37.5 -20.8 -6.1 -24.4 106 105 C K H >X S+ 0 0 59 -4,-1.8 4,-1.4 1,-0.2 3,-0.6 0.951 108.6 47.0 -61.9 -46.6 -23.6 -7.7 -22.4 107 106 C I H 3X>S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-1.2 0.845 107.3 59.0 -64.6 -29.6 -22.7 -5.7 -19.3 108 107 C Q H 3<5S+ 0 0 83 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.825 107.0 46.7 -69.0 -28.3 -22.4 -2.6 -21.5 109 108 C D H <<5S+ 0 0 137 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.759 121.0 37.0 -84.4 -24.7 -26.1 -3.1 -22.4 110 109 C K H <5S+ 0 0 138 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