==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 08-NOV-12 2M0X . COMPND 2 MOLECULE: ENGINEERED UBIQUITIN VARIANT; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.H.PHILLIPS,W.J.FAIRBROTHER,J.E.CORN . 76 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5308.0 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 . 3 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 14.5 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 . 8 10.5 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 . 10 13.2 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 1 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 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 0 PARALLEL BRIDGES PER LADDER . 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 87 0, 0.0 16,-1.0 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 100.3 25.4 24.7 2.8 2 2 A Q E -A 16 0A 94 14,-0.2 62,-1.7 12,-0.0 63,-0.3 -0.381 360.0-150.9 -92.6 174.1 27.0 27.9 4.2 3 3 A I E -A 15 0A 5 12,-1.4 12,-1.9 60,-0.2 2,-0.5 -0.993 10.5-130.7-146.9 150.4 26.1 29.9 7.3 4 4 A F E -A 14 0A 59 -2,-0.3 63,-1.0 61,-0.3 2,-0.5 -0.898 18.8-158.7-107.1 127.4 26.2 33.6 8.4 5 5 A V E -Ab 13 67A 6 8,-0.9 8,-1.3 -2,-0.5 2,-0.6 -0.904 19.9-124.5-108.1 128.3 27.8 34.4 11.8 6 6 A K E -Ab 12 68A 109 61,-0.6 63,-1.3 -2,-0.5 6,-0.2 -0.579 31.6-156.1 -73.0 116.0 27.0 37.7 13.5 7 7 A G > - 0 0 12 4,-0.8 3,-0.8 -2,-0.6 5,-0.1 -0.393 27.9-110.3 -88.0 168.6 30.2 39.5 14.3 8 8 A L T 3 S+ 0 0 119 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.840 121.1 54.0 -66.1 -33.5 30.9 42.1 17.0 9 9 A T T 3 S- 0 0 115 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.608 119.4-113.2 -75.7 -12.0 31.2 44.7 14.3 10 10 A G S < S+ 0 0 45 -3,-0.8 2,-0.3 1,-0.4 -2,-0.1 0.179 79.4 127.0 97.7 -15.3 27.8 43.7 13.0 11 11 A K - 0 0 155 -5,-0.1 -4,-0.8 1,-0.1 -1,-0.4 -0.592 57.9-130.4 -78.2 132.7 29.4 42.4 9.8 12 12 A T E -A 6 0A 93 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.577 12.5-151.0 -84.9 146.5 28.5 38.8 8.9 13 13 A T E -A 5 0A 58 -8,-1.3 -8,-0.9 -2,-0.2 2,-0.1 -0.946 12.5-138.0-122.0 111.3 31.2 36.2 8.0 14 14 A T E -A 4 0A 73 -2,-0.5 2,-0.4 -10,-0.2 -10,-0.2 -0.431 22.9-168.4 -68.0 136.8 30.2 33.4 5.6 15 15 A L E -A 3 0A 4 -12,-1.9 -12,-1.4 -2,-0.1 2,-0.6 -0.978 20.6-125.8-130.5 142.4 31.5 30.0 6.6 16 16 A E E +A 2 0A 131 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.768 44.7 150.8 -89.9 120.4 31.7 26.7 4.7 17 17 A V - 0 0 2 -16,-1.0 5,-0.0 -2,-0.6 3,-0.0 -0.928 27.5-155.0-143.5 166.8 30.1 23.8 6.6 18 18 A E > - 0 0 99 -2,-0.3 3,-1.1 4,-0.1 38,-0.3 -0.992 38.5-104.3-143.9 148.8 28.2 20.5 6.0 19 19 A P T 3 S+ 0 0 75 0, 0.0 38,-0.7 0, 0.0 37,-0.6 0.827 127.5 47.0 -39.3 -38.2 25.8 18.4 8.0 20 20 A S T 3 S+ 0 0 84 35,-0.1 2,-0.1 36,-0.1 -3,-0.0 0.860 88.0 102.3 -74.4 -37.2 28.7 16.1 8.7 21 21 A D < - 0 0 18 -3,-1.1 35,-0.6 34,-0.1 2,-0.1 -0.279 69.8-141.6 -52.3 118.2 31.0 19.0 9.6 22 22 A T B > -C 55 0B 49 33,-0.2 4,-1.6 1,-0.1 3,-0.4 -0.365 18.7-112.2 -81.1 163.2 31.2 18.9 13.4 23 23 A I H > S+ 0 0 1 31,-1.3 4,-2.9 28,-0.3 5,-0.3 0.907 114.7 65.2 -61.4 -43.0 31.3 22.1 15.5 24 24 A E H > S+ 0 0 117 30,-0.3 4,-1.3 1,-0.3 -1,-0.2 0.891 105.1 46.1 -46.5 -43.1 34.9 21.4 16.6 25 25 A N H > S+ 0 0 70 -3,-0.4 4,-2.3 2,-0.2 -1,-0.3 0.915 109.3 54.5 -66.5 -43.9 35.8 21.9 12.9 26 26 A V H X S+ 0 0 9 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.933 106.6 50.2 -56.3 -48.4 33.7 25.1 12.7 27 27 A K H X S+ 0 0 59 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.858 109.4 54.0 -59.0 -33.5 35.5 26.6 15.7 28 28 A A H < S+ 0 0 40 -4,-1.3 4,-0.4 -5,-0.3 -1,-0.2 0.914 105.7 50.9 -67.1 -42.6 38.7 25.7 13.9 29 29 A K H >X S+ 0 0 48 -4,-2.3 4,-1.4 1,-0.2 3,-1.2 0.917 111.9 48.7 -60.0 -42.4 37.6 27.6 10.8 30 30 A I H 3X>S+ 0 0 8 -4,-2.3 4,-3.6 1,-0.3 5,-0.9 0.908 97.7 66.9 -63.3 -44.3 36.8 30.6 12.9 31 31 A Q H 3<5S+ 0 0 84 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.663 106.7 45.9 -52.6 -13.9 40.2 30.4 14.7 32 32 A D H <45S+ 0 0 125 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.823 116.3 39.4 -97.3 -41.6 41.5 31.3 11.2 33 33 A K H <5S+ 0 0 118 -4,-1.4 -2,-0.2 -3,-0.2 -3,-0.2 0.827 131.2 29.8 -78.1 -33.0 39.2 34.2 10.3 34 34 A T T <5S- 0 0 57 -4,-3.6 -3,-0.2 -5,-0.2 -1,-0.1 0.678 89.9-147.6 -97.3 -23.2 39.1 35.6 13.8 35 35 A G < + 0 0 57 -5,-0.9 -4,-0.2 1,-0.3 -3,-0.1 0.520 52.4 138.1 67.6 2.6 42.6 34.5 14.7 36 36 A L - 0 0 42 -6,-0.3 -1,-0.3 1,-0.1 -2,-0.2 -0.525 58.8-107.0 -80.1 147.8 41.2 34.2 18.2 37 37 A P > - 0 0 41 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.217 29.8-108.2 -68.1 161.9 42.2 31.2 20.4 38 38 A P G > S+ 0 0 83 0, 0.0 3,-1.4 0, 0.0 -2,-0.1 0.797 118.8 61.5 -62.5 -29.8 39.6 28.4 21.1 39 39 A D G 3 S+ 0 0 77 1,-0.3 35,-0.1 3,-0.0 33,-0.1 0.575 104.3 50.6 -74.7 -7.3 39.3 29.5 24.8 40 40 A Q G < S+ 0 0 39 -3,-1.6 2,-0.4 33,-0.1 -1,-0.3 0.156 97.2 88.5-112.7 14.8 38.0 32.8 23.4 41 41 A Q < + 0 0 18 -3,-1.4 2,-0.3 30,-0.1 30,-0.1 -0.911 46.0 172.0-117.9 144.2 35.4 31.3 21.1 42 42 A R - 0 0 116 -2,-0.4 28,-0.8 26,-0.1 2,-0.5 -0.948 14.7-156.2-152.6 126.4 31.8 30.4 21.8 43 43 A L + 0 0 7 -2,-0.3 7,-2.1 7,-0.2 2,-0.4 -0.918 16.4 169.7-111.0 126.6 29.0 29.2 19.5 44 44 A I E -D 49 0C 29 -2,-0.5 2,-0.4 24,-0.4 5,-0.2 -0.997 11.0-167.1-136.0 128.4 25.3 29.7 20.3 45 45 A F E > S-D 48 0C 37 3,-2.9 3,-3.2 -2,-0.4 22,-0.1 -0.967 74.8 -14.3-120.7 129.2 22.4 29.1 17.8 46 46 A A T 3 S- 0 0 63 20,-0.7 -1,-0.1 -2,-0.4 3,-0.1 0.758 130.1 -55.3 54.5 24.0 18.9 30.2 18.4 47 47 A G T 3 S+ 0 0 66 1,-0.3 2,-0.4 -3,-0.0 -1,-0.3 0.466 114.1 125.0 87.9 2.7 20.0 30.7 22.1 48 48 A K E < -D 45 0C 125 -3,-3.2 -3,-2.9 11,-0.1 2,-0.4 -0.819 59.4-130.3 -99.3 132.8 21.2 27.1 22.2 49 49 A Q E -D 44 0C 125 -2,-0.4 -5,-0.2 -5,-0.2 2,-0.2 -0.670 20.7-140.3 -84.6 130.8 24.8 26.3 23.2 50 50 A L - 0 0 7 -7,-2.1 2,-0.3 -2,-0.4 -7,-0.2 -0.494 16.7-165.9 -87.4 158.7 26.7 24.0 20.9 51 51 A E > - 0 0 104 -2,-0.2 3,-1.2 4,-0.1 -28,-0.3 -0.975 27.7 -92.0-143.4 155.1 29.2 21.3 22.1 52 52 A D T 3 S+ 0 0 91 -2,-0.3 3,-0.1 1,-0.2 -30,-0.0 -0.228 106.2 38.7 -64.2 155.4 31.9 19.1 20.6 53 53 A G T 3 S+ 0 0 52 1,-0.4 -1,-0.2 0, 0.0 2,-0.2 0.154 98.7 100.8 89.4 -18.9 30.9 15.7 19.3 54 54 A R < - 0 0 112 -3,-1.2 -31,-1.3 1,-0.0 -1,-0.4 -0.540 58.3-150.1 -95.8 164.1 27.6 17.1 17.9 55 55 A T B >> -C 22 0B 26 -33,-0.2 4,-1.5 -2,-0.2 3,-0.7 -0.710 32.7 -99.8-125.2 176.6 26.8 18.1 14.4 56 56 A L H 3>>S+ 0 0 5 -35,-0.6 5,-2.0 -37,-0.6 4,-0.6 0.878 121.2 60.7 -65.4 -37.7 24.5 20.6 12.6 57 57 A S H 345S+ 0 0 82 -38,-0.7 -1,-0.2 1,-0.2 -37,-0.1 0.743 104.9 51.1 -61.6 -22.2 22.0 17.8 12.0 58 58 A D H <45S+ 0 0 97 -3,-0.7 -1,-0.2 -39,-0.2 -2,-0.2 0.894 112.8 41.5 -81.6 -43.3 21.8 17.5 15.8 59 59 A Y H <5S- 0 0 41 -4,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.392 109.1-124.2 -83.5 3.3 21.2 21.2 16.5 60 60 A N T <5 + 0 0 112 -4,-0.6 2,-0.4 1,-0.2 -3,-0.2 0.770 49.4 171.9 58.5 25.2 18.9 21.3 13.6 61 61 A I < - 0 0 10 -5,-2.0 -1,-0.2 -6,-0.2 2,-0.1 -0.535 8.2-174.2 -71.1 123.1 21.1 24.1 12.2 62 62 A Q > - 0 0 123 -2,-0.4 3,-0.8 1,-0.2 2,-0.1 -0.151 35.0 -54.9-101.2-162.3 20.0 25.0 8.7 63 63 A K T 3 S+ 0 0 119 1,-0.2 -1,-0.2 -60,-0.1 -60,-0.2 -0.397 120.2 17.9 -77.4 156.1 21.5 27.3 6.1 64 64 A E T 3 S+ 0 0 110 -62,-1.7 -1,-0.2 1,-0.2 2,-0.2 0.762 86.9 174.3 55.1 24.6 22.1 31.0 6.8 65 65 A S < - 0 0 7 -3,-0.8 2,-0.8 -63,-0.3 -61,-0.3 -0.459 30.8-128.3 -66.2 127.7 21.9 30.0 10.5 66 66 A T - 0 0 70 -2,-0.2 -20,-0.7 -3,-0.1 -61,-0.2 -0.700 32.5-178.7 -83.7 111.9 22.8 33.0 12.7 67 67 A L E -b 5 0A 8 -63,-1.0 -61,-0.6 -2,-0.8 2,-0.3 -0.020 20.6-123.1 -90.0-162.1 25.4 32.0 15.2 68 68 A H E -b 6 0A 65 -26,-0.1 2,-0.8 -63,-0.1 -24,-0.4 -0.868 8.5-154.1-155.1 116.8 27.0 34.2 17.9 69 69 A I - 0 0 27 -63,-1.3 2,-0.7 -2,-0.3 -26,-0.1 -0.814 13.5-169.7 -94.8 110.8 30.6 35.1 18.5 70 70 A V - 0 0 48 -28,-0.8 2,-0.7 -2,-0.8 -2,-0.0 -0.882 3.3-163.4-104.7 110.3 31.3 36.0 22.1 71 71 A W + 0 0 138 -2,-0.7 2,-0.3 -30,-0.1 -30,-0.1 -0.832 27.7 142.3 -96.9 116.4 34.7 37.5 22.8 72 72 A R - 0 0 197 -2,-0.7 2,-0.4 -32,-0.2 -2,-0.1 -0.968 45.0-126.0-155.4 135.8 35.8 37.4 26.4 73 73 A L - 0 0 103 -2,-0.3 3,-0.1 1,-0.1 -33,-0.1 -0.691 10.9-143.9 -85.9 130.9 39.1 36.8 28.2 74 74 A R - 0 0 203 -2,-0.4 -1,-0.1 1,-0.2 -34,-0.0 0.473 49.0-124.7 -70.3 0.6 39.0 34.1 30.9 75 75 A G 0 0 44 1,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.010 360.0 360.0 76.8 171.1 41.4 36.4 32.7 76 76 A G 0 0 154 -3,-0.1 -1,-0.1 0, 0.0 -2,-0.1 0.935 360.0 360.0 -61.1 360.0 44.9 35.5 34.0