==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 26-JAN-11 3QHT . COMPND 2 MOLECULE: UBIQUITIN-LIKE PROTEIN SMT3; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.KOIDE,R.N.GILBRETH . 338 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 34.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 2.4 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 . 32 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 1 0 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 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 PARALLEL BRIDGES PER LADDER . 0 2 4 5 1 5 1 2 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 2 2 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 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 19 A K 0 0 211 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 79.1 20.4 -28.2 -11.7 2 20 A P - 0 0 112 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.565 360.0-118.0 -57.4 131.1 22.2 -31.6 -11.8 3 21 A E - 0 0 134 -2,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.411 28.1-177.6 48.9 68.4 21.4 -34.3 -13.5 4 22 A T + 0 0 54 -2,-0.2 19,-0.8 -3,-0.1 2,-0.2 0.624 55.3 82.1 -98.3 -20.1 20.7 -37.2 -11.1 5 23 A H E -A 22 0A 24 17,-0.2 17,-0.3 18,-0.1 2,-0.3 -0.559 57.6-153.8 -94.8 151.3 19.9 -40.0 -13.7 6 24 A I E -A 21 0A 14 15,-3.9 15,-2.2 -2,-0.2 2,-0.4 -0.820 26.1-109.5-109.7 161.8 22.1 -42.3 -15.7 7 25 A N E +A 20 0A 18 -2,-0.3 61,-3.2 13,-0.2 62,-0.6 -0.787 37.1 176.3 -85.0 130.6 21.3 -44.0 -19.0 8 26 A L E -Ab 19 69A 2 11,-2.0 11,-3.1 -2,-0.4 2,-0.4 -0.970 16.9-150.1-128.2 149.9 20.8 -47.7 -19.0 9 27 A K E -Ab 18 70A 72 60,-2.2 62,-3.0 -2,-0.3 2,-0.5 -0.966 6.3-164.8-117.1 136.1 19.8 -50.0 -21.9 10 28 A V E +Ab 17 71A 0 7,-2.6 7,-3.4 -2,-0.4 2,-0.3 -0.988 17.5 171.8-119.6 128.6 17.8 -53.2 -21.3 11 29 A S E -Ab 16 72A 30 60,-2.5 62,-3.2 -2,-0.5 5,-0.2 -0.988 30.8-179.5-139.3 146.9 17.7 -55.7 -24.1 12 30 A D S S- 0 0 52 3,-1.5 4,-0.1 -2,-0.3 63,-0.1 0.273 70.5 -87.0-122.0 6.5 16.5 -59.2 -24.8 13 31 A G S S+ 0 0 73 2,-0.3 3,-0.1 1,-0.1 61,-0.0 -0.197 121.1 27.6 110.0 -41.5 17.6 -59.5 -28.4 14 32 A S S S+ 0 0 113 1,-0.3 2,-0.4 0, 0.0 -1,-0.1 0.718 112.6 56.5-111.5 -63.9 14.4 -58.0 -29.9 15 33 A S - 0 0 33 -3,-0.0 -3,-1.5 223,-0.0 2,-0.4 -0.554 65.1-176.1 -73.1 125.0 12.8 -55.6 -27.5 16 34 A E E -A 11 0A 78 -2,-0.4 223,-0.5 -5,-0.2 2,-0.4 -0.989 2.0-171.3-122.9 127.7 15.2 -52.8 -26.4 17 35 A I E -A 10 0A 1 -7,-3.4 -7,-2.6 -2,-0.4 2,-0.4 -0.975 12.6-145.9-125.0 135.7 14.3 -50.2 -23.8 18 36 A F E -AC 9 237A 22 219,-2.8 219,-2.1 -2,-0.4 2,-0.3 -0.811 19.7-167.1 -97.8 130.3 16.2 -47.1 -22.7 19 37 A F E -AC 8 236A 0 -11,-3.1 -11,-2.0 -2,-0.4 2,-0.5 -0.861 22.3-159.4-120.4 148.8 16.1 -45.9 -19.1 20 38 A K E +AC 7 235A 16 215,-2.9 215,-2.1 -2,-0.3 2,-0.3 -0.996 36.7 162.1-121.4 114.9 17.0 -42.8 -17.2 21 39 A I E -A 6 0A 0 -15,-2.2 -15,-3.9 -2,-0.5 2,-0.2 -0.973 39.2-110.7-138.9 145.3 17.4 -43.9 -13.7 22 40 A K E > -A 5 0A 15 -2,-0.3 3,-1.8 -17,-0.3 -17,-0.2 -0.531 27.7-121.9 -71.9 144.7 18.9 -42.6 -10.4 23 41 A K T 3 S+ 0 0 91 -19,-0.8 38,-2.5 1,-0.3 39,-0.3 0.797 115.3 46.7 -52.0 -32.4 22.0 -44.4 -9.0 24 42 A T T 3 S+ 0 0 91 35,-0.2 -1,-0.3 36,-0.2 35,-0.0 0.328 85.1 106.0-101.3 3.7 20.0 -44.8 -5.8 25 43 A T S < S- 0 0 1 -3,-1.8 36,-0.1 208,-0.1 5,-0.1 -0.746 77.7-113.3 -81.7 129.6 16.7 -46.1 -7.4 26 44 A P > - 0 0 50 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.331 19.3-125.8 -63.3 141.0 16.2 -49.9 -6.9 27 45 A L T 3> S+ 0 0 0 31,-3.5 4,-3.2 28,-0.3 3,-0.4 0.624 96.3 90.3 -65.5 -14.3 16.3 -51.8 -10.1 28 46 A R H 3> S+ 0 0 73 28,-2.0 4,-3.3 30,-0.3 -1,-0.3 0.899 86.1 51.7 -39.0 -48.4 12.8 -53.3 -9.3 29 47 A R H <> S+ 0 0 60 -3,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.857 111.4 44.8 -66.5 -37.2 11.3 -50.3 -11.2 30 48 A L H > S+ 0 0 0 -4,-0.4 4,-2.1 -3,-0.4 -1,-0.2 0.894 115.5 47.1 -72.3 -42.9 13.4 -50.8 -14.2 31 49 A M H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.931 114.9 47.5 -65.5 -43.1 12.8 -54.6 -14.2 32 50 A E H X S+ 0 0 33 -4,-3.3 4,-2.3 -5,-0.3 5,-0.2 0.901 111.7 49.9 -64.1 -42.2 9.0 -54.0 -13.7 33 51 A A H X S+ 0 0 3 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.908 114.1 45.3 -68.2 -34.6 8.9 -51.4 -16.4 34 52 A F H X S+ 0 0 0 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.929 115.3 44.3 -74.0 -48.1 10.6 -53.6 -18.9 35 53 A A H ><>S+ 0 0 0 -4,-2.6 5,-3.4 2,-0.2 3,-0.7 0.892 114.5 50.0 -57.5 -42.1 8.6 -56.8 -18.1 36 54 A K H ><5S+ 0 0 108 -4,-2.3 3,-1.1 1,-0.3 -2,-0.2 0.804 102.2 59.2 -82.0 -23.4 5.3 -54.9 -18.1 37 55 A R H 3<5S+ 0 0 108 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.717 108.4 48.4 -65.4 -22.3 6.1 -53.3 -21.4 38 56 A Q T <<5S- 0 0 67 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.431 123.4-112.0 -89.1 -3.1 6.2 -57.0 -22.6 39 57 A G T < 5S+ 0 0 69 -3,-1.1 -3,-0.3 1,-0.3 2,-0.2 0.777 83.3 118.3 66.4 27.0 2.9 -57.6 -20.8 40 58 A K < - 0 0 122 -5,-3.4 2,-0.3 -6,-0.1 -1,-0.3 -0.718 67.2-111.1-116.0 167.9 4.9 -59.8 -18.3 41 59 A E > - 0 0 156 -2,-0.2 3,-2.0 -3,-0.1 4,-0.4 -0.739 31.9-112.3 -93.9 150.9 5.6 -59.7 -14.6 42 60 A M G > S+ 0 0 22 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.861 113.1 59.2 -46.2 -45.7 9.1 -58.9 -13.2 43 61 A D G 3 S+ 0 0 106 1,-0.3 35,-1.2 36,-0.1 34,-0.5 0.491 92.2 65.7 -73.6 -3.9 9.5 -62.5 -11.9 44 62 A S G < S+ 0 0 44 -3,-2.0 32,-2.6 33,-0.2 2,-0.3 0.569 100.6 61.8 -89.5 -6.2 9.1 -64.2 -15.3 45 63 A L E < S-D 75 0A 12 -3,-1.7 2,-0.4 -4,-0.4 30,-0.2 -0.875 70.0-145.0-119.9 150.7 12.3 -62.6 -16.5 46 64 A R E -D 74 0A 61 28,-2.9 28,-1.9 -2,-0.3 2,-0.5 -0.917 13.2-152.7-107.5 141.5 15.9 -62.7 -15.4 47 65 A F E -D 73 0A 0 7,-0.4 7,-2.8 -2,-0.4 2,-0.4 -0.967 11.8-162.1-117.6 125.5 18.1 -59.6 -15.7 48 66 A L E +DE 72 53A 60 24,-3.4 24,-2.3 -2,-0.5 2,-0.3 -0.864 18.0 163.0-113.8 135.0 21.8 -60.0 -16.2 49 67 A Y E > S- E 0 52A 18 3,-2.5 3,-1.5 -2,-0.4 22,-0.1 -0.910 72.3 -15.0-146.9 124.5 24.6 -57.6 -15.6 50 68 A D T 3 S- 0 0 121 -2,-0.3 3,-0.1 1,-0.3 21,-0.0 0.877 126.6 -49.8 54.6 48.5 28.3 -58.5 -15.2 51 69 A G T 3 S+ 0 0 88 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.563 118.5 111.2 70.8 9.7 27.9 -62.2 -14.6 52 70 A I E < -E 49 0A 75 -3,-1.5 -3,-2.5 0, 0.0 2,-0.7 -0.918 67.4-133.8-121.1 136.3 25.2 -61.4 -11.9 53 71 A R E -E 48 0A 97 -2,-0.4 -5,-0.2 -5,-0.2 2,-0.1 -0.848 38.3-125.7 -87.0 116.1 21.5 -62.0 -11.9 54 72 A I - 0 0 0 -7,-2.8 -7,-0.4 -2,-0.7 2,-0.4 -0.348 17.7-145.4 -69.4 140.0 20.1 -58.7 -10.6 55 73 A Q > - 0 0 86 24,-0.1 3,-2.3 4,-0.1 -28,-0.3 -0.855 23.0-114.7-107.8 142.4 17.8 -58.6 -7.6 56 74 A A T 3 S+ 0 0 9 23,-1.7 -28,-2.0 -2,-0.4 -27,-0.2 0.709 111.3 52.1 -45.7 -38.5 15.0 -56.2 -7.2 57 75 A D T 3 S+ 0 0 119 -30,-0.2 -1,-0.3 -31,-0.1 2,-0.1 0.611 86.3 104.4 -79.1 -15.2 16.4 -54.3 -4.2 58 76 A Q < - 0 0 53 -3,-2.3 -31,-3.5 -32,-0.1 -30,-0.3 -0.433 58.1-151.2 -67.7 142.7 19.8 -53.6 -5.8 59 77 A T > - 0 0 17 -33,-0.3 4,-1.3 -32,-0.1 -35,-0.2 -0.606 31.1-107.5-102.1 163.3 20.5 -50.1 -7.1 60 78 A P T 4>S+ 0 0 0 0, 0.0 5,-3.3 0, 0.0 3,-0.2 0.896 124.8 56.5 -53.1 -39.2 22.8 -49.0 -10.0 61 79 A E T >45S+ 0 0 115 -38,-2.5 3,-1.2 3,-0.2 -37,-0.1 0.854 102.8 53.0 -59.0 -38.8 25.1 -47.8 -7.2 62 80 A D T 345S+ 0 0 97 -39,-0.3 -1,-0.2 1,-0.3 -38,-0.1 0.834 115.1 40.9 -68.2 -31.9 25.2 -51.3 -5.6 63 81 A L T 3<5S- 0 0 16 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.253 110.8-120.4 -97.3 8.5 26.2 -52.8 -8.8 64 82 A D T < 5 - 0 0 129 -3,-1.2 -3,-0.2 1,-0.1 -2,-0.1 0.876 46.6-175.9 50.0 43.1 28.7 -50.0 -9.8 65 83 A M < - 0 0 4 -5,-3.3 2,-0.4 -42,-0.1 -1,-0.1 -0.278 10.7-147.9 -70.6 157.5 26.7 -49.3 -12.9 66 84 A E > - 0 0 119 -59,-0.1 3,-2.4 -60,-0.0 -60,-0.0 -0.929 31.6 -81.7-126.2 150.1 28.0 -46.8 -15.4 67 85 A D T 3 S+ 0 0 79 -2,-0.4 -59,-0.2 1,-0.3 -61,-0.0 -0.245 118.3 17.9 -45.6 126.4 26.2 -44.4 -17.8 68 86 A N T 3 S+ 0 0 100 -61,-3.2 -1,-0.3 1,-0.2 -60,-0.2 0.529 88.2 152.6 80.1 11.8 25.3 -46.4 -20.9 69 87 A D E < -b 8 0A 39 -3,-2.4 -60,-2.2 -62,-0.6 2,-0.4 -0.285 37.9-128.3 -63.8 158.9 25.6 -49.8 -19.4 70 88 A I E -b 9 0A 92 -62,-0.2 2,-0.4 -60,-0.0 -60,-0.2 -0.911 14.3-161.8-118.4 132.7 23.6 -52.7 -20.8 71 89 A I E -b 10 0A 0 -62,-3.0 -60,-2.5 -2,-0.4 2,-0.6 -0.957 15.0-142.4-110.7 131.9 21.3 -55.2 -19.0 72 90 A E E -bD 11 48A 127 -24,-2.3 -24,-3.4 -2,-0.4 2,-0.3 -0.863 14.6-162.5 -94.8 127.0 20.4 -58.4 -20.7 73 91 A A E + D 0 47A 4 -62,-3.2 2,-0.3 -2,-0.6 -26,-0.2 -0.816 13.2 171.0-103.3 145.2 16.8 -59.7 -20.1 74 92 A H E - D 0 46A 95 -28,-1.9 -28,-2.9 -2,-0.3 -61,-0.0 -0.990 35.9 -91.5-150.2 151.7 15.7 -63.3 -20.8 75 93 A R E S+ D 0 45A 167 -2,-0.3 -30,-0.2 -30,-0.2 -31,-0.0 -0.175 82.6 35.7 -55.3 147.7 12.6 -65.4 -20.2 76 94 A E S S+ 0 0 97 -32,-2.6 -32,-0.2 -31,-0.0 -31,-0.1 0.833 94.5 20.7 77.5 116.3 12.3 -67.6 -17.0 77 95 A Q S S+ 0 0 129 -34,-0.5 -33,-0.2 -32,-0.1 -34,-0.1 0.994 74.1 143.5 74.6 94.1 13.3 -67.1 -13.3 78 96 A I 0 0 13 -35,-1.2 -32,-0.1 -32,-0.1 -35,-0.1 0.696 360.0 360.0 -73.0-142.2 14.0 -63.7 -11.9 79 97 A G 0 0 15 -34,-0.2 -23,-1.7 -33,-0.1 -36,-0.1 -0.272 360.0 360.0-164.6 360.0 14.1 -61.4 -10.1 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 22 B T 0 0 131 0, 0.0 18,-0.2 0, 0.0 17,-0.0 0.000 360.0 360.0 360.0 146.2 8.4 -34.2 3.9 82 23 B H + 0 0 76 1,-0.1 2,-0.3 16,-0.1 17,-0.3 0.925 360.0 179.7 70.6 111.2 6.5 -30.9 3.2 83 24 B I E -G 98 0B 19 15,-2.7 15,-2.4 60,-0.1 2,-0.5 -0.875 27.4-121.8-136.7 149.0 7.7 -28.5 0.7 84 25 B N E +G 97 0B 17 -2,-0.3 61,-3.1 13,-0.2 62,-0.5 -0.894 34.4 176.4 -90.9 127.9 6.5 -25.2 -0.7 85 26 B L E -Gh 96 146B 3 11,-2.3 11,-3.1 -2,-0.5 2,-0.4 -0.969 18.4-147.6-129.6 154.4 5.8 -25.0 -4.4 86 27 B K E -Gh 95 147B 44 60,-2.1 62,-2.5 -2,-0.3 2,-0.5 -0.944 4.4-160.2-119.2 136.0 4.4 -22.3 -6.5 87 28 B V E +Gh 94 148B 0 7,-2.5 7,-2.8 -2,-0.4 2,-0.4 -0.989 17.3 178.0-118.0 122.0 2.3 -22.9 -9.6 88 29 B S E +Gh 93 149B 29 60,-2.5 62,-3.5 -2,-0.5 5,-0.2 -0.963 24.2 178.1-125.5 139.1 2.2 -20.0 -12.0 89 30 B D - 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