==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE, PROTEIN BINDING 17-JUL-12 4G50 . COMPND 2 MOLECULE: UBIQUITIN-LIKE PROTEIN SMT3, PEPTIDYL-PROLYL CIS- . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI, SACCHAROMYC . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 381 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 30.4 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 . 6 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 26 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 2 0 0 0 2 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 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 PARALLEL BRIDGES PER LADDER . 4 2 4 4 2 2 2 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 0 0 2 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 -77 A E 0 0 150 0, 0.0 3,-0.1 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0 133.4 -0.8 33.0 45.9 2 -76 A T + 0 0 89 1,-0.1 19,-3.0 18,-0.0 2,-0.3 0.684 360.0 42.5 -98.6 -25.5 2.9 33.2 45.7 3 -75 A H E -A 20 0A 73 17,-0.3 2,-0.3 18,-0.1 17,-0.2 -0.903 62.2-164.3-125.1 151.1 3.8 30.7 48.5 4 -74 A I E -A 19 0A 0 15,-2.6 15,-3.0 -2,-0.3 2,-0.4 -0.958 19.4-124.8-132.1 155.8 2.5 27.3 49.5 5 -73 A N E -A 18 0A 59 -2,-0.3 61,-2.5 13,-0.2 62,-0.6 -0.832 29.6-173.9 -93.6 137.6 2.8 25.0 52.5 6 -72 A L E -Ab 17 67A 2 11,-2.2 11,-2.9 -2,-0.4 2,-0.4 -0.959 15.1-149.0-131.2 147.3 4.1 21.5 51.9 7 -71 A K E -Ab 16 68A 50 60,-2.0 62,-2.9 -2,-0.3 2,-0.5 -0.960 8.6-158.5-112.1 134.1 4.5 18.5 54.2 8 -70 A V E -Ab 15 69A 0 7,-2.8 7,-2.2 -2,-0.4 2,-0.4 -0.977 14.9-176.3-111.7 126.0 7.3 16.0 53.7 9 -69 A S E +Ab 14 70A 25 60,-2.6 62,-3.1 -2,-0.5 5,-0.2 -0.973 27.6 176.3-126.4 133.6 6.7 12.5 55.2 10 -68 A D - 0 0 52 3,-2.1 4,-0.1 -2,-0.4 63,-0.1 0.169 68.1 -96.9-109.6 14.9 8.9 9.5 55.4 11 -67 A G S S+ 0 0 68 2,-0.4 3,-0.1 1,-0.1 61,-0.0 -0.103 120.1 37.2 92.2 -33.4 6.4 7.5 57.5 12 -66 A S S S+ 0 0 45 1,-0.3 2,-0.3 105,-0.1 -1,-0.1 0.771 112.2 47.3-109.0 -67.8 8.3 8.6 60.6 13 -65 A S - 0 0 8 105,-0.1 -3,-2.1 2,-0.0 2,-0.4 -0.617 64.1-174.4 -76.1 131.8 9.6 12.1 60.4 14 -64 A E E -A 9 0A 96 103,-0.3 2,-0.4 -2,-0.3 -5,-0.2 -0.982 3.4-175.9-126.7 132.7 7.1 14.7 59.1 15 -63 A I E -A 8 0A 5 -7,-2.2 -7,-2.8 -2,-0.4 2,-0.4 -0.966 14.1-145.3-130.4 135.7 8.3 18.2 58.5 16 -62 A F E +A 7 0A 146 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.821 20.4 179.8-103.7 140.3 6.2 21.2 57.4 17 -61 A F E -A 6 0A 37 -11,-2.9 -11,-2.2 -2,-0.4 2,-0.4 -0.946 24.3-149.8-135.7 154.8 7.5 23.9 55.1 18 -60 A K E +A 5 0A 146 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.994 30.1 178.2-126.5 123.8 6.4 27.1 53.5 19 -59 A I E -A 4 0A 15 -15,-3.0 -15,-2.6 -2,-0.4 2,-0.2 -0.956 33.5-115.2-133.9 137.9 8.1 27.7 50.2 20 -58 A K E > -A 3 0A 99 -2,-0.4 3,-2.0 -17,-0.2 -17,-0.3 -0.490 33.5-122.2 -71.5 142.6 7.8 30.4 47.5 21 -57 A K T 3 S+ 0 0 48 -19,-3.0 38,-2.6 1,-0.3 39,-0.3 0.723 110.4 49.4 -65.6 -19.2 6.4 28.8 44.3 22 -56 A T T 3 S+ 0 0 77 -20,-0.3 -1,-0.3 36,-0.2 -19,-0.1 0.342 87.9 106.6 -99.3 4.0 9.4 29.8 42.2 23 -55 A T S < S- 0 0 53 -3,-2.0 36,-0.1 1,-0.1 -4,-0.0 -0.686 76.7-114.9 -86.9 130.2 12.0 28.4 44.7 24 -54 A P > - 0 0 53 0, 0.0 3,-0.6 0, 0.0 4,-0.3 -0.306 20.8-124.7 -59.1 149.0 13.8 25.3 43.8 25 -53 A L T 3> S+ 0 0 0 31,-3.0 4,-2.5 28,-0.3 5,-0.2 0.516 88.5 97.3 -75.3 -3.3 13.0 22.3 46.1 26 -52 A R H 3> S+ 0 0 105 28,-1.8 4,-3.0 1,-0.2 5,-0.2 0.892 81.3 49.0 -50.5 -53.4 16.7 21.8 46.9 27 -51 A R H <> S+ 0 0 192 -3,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.896 112.2 48.5 -58.3 -41.7 16.7 23.7 50.2 28 -50 A L H > S+ 0 0 9 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.932 113.4 47.3 -60.9 -47.4 13.5 21.9 51.4 29 -49 A M H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.942 113.2 48.8 -62.5 -46.0 15.0 18.5 50.5 30 -48 A E H X S+ 0 0 64 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.869 109.1 53.5 -59.8 -39.4 18.4 19.4 52.2 31 -47 A A H X S+ 0 0 40 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.916 109.2 47.4 -62.9 -45.0 16.5 20.5 55.3 32 -46 A F H X S+ 0 0 0 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.921 113.8 47.6 -63.4 -44.7 14.7 17.3 55.6 33 -45 A A H <>S+ 0 0 1 -4,-2.4 5,-1.6 1,-0.2 3,-0.5 0.932 110.7 51.8 -63.3 -43.4 17.9 15.2 55.1 34 -44 A K H ><5S+ 0 0 154 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.869 101.8 59.7 -61.3 -37.5 19.9 17.3 57.6 35 -43 A R H 3<5S+ 0 0 151 -4,-1.9 -1,-0.2 1,-0.3 85,-0.2 0.860 108.0 46.1 -62.7 -32.4 17.2 16.9 60.3 36 -42 A Q T 3<5S- 0 0 18 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.362 115.7-116.4 -84.3 2.2 17.8 13.1 60.1 37 -41 A G T < 5S+ 0 0 53 -3,-1.7 -3,-0.2 1,-0.3 2,-0.1 0.391 77.7 123.1 76.8 -2.6 21.6 13.6 60.1 38 -40 A K < - 0 0 25 -5,-1.6 2,-0.3 -6,-0.2 -1,-0.3 -0.434 67.4-108.4 -91.8 161.3 21.7 12.1 56.6 39 -39 A E > - 0 0 64 -2,-0.1 3,-1.9 1,-0.1 4,-0.1 -0.662 27.6-121.4 -84.3 144.1 23.1 13.4 53.3 40 -38 A M G > S+ 0 0 56 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.865 109.8 71.1 -51.3 -38.3 20.5 14.4 50.7 41 -37 A D G 3 S+ 0 0 81 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.755 91.1 56.0 -48.8 -32.3 22.2 11.8 48.4 42 -36 A S G < S+ 0 0 34 -3,-1.9 32,-0.9 31,-0.1 2,-0.3 0.345 103.1 71.4 -87.4 7.6 20.8 8.8 50.5 43 -35 A L E < -C 73 0A 5 -3,-2.1 2,-0.4 30,-0.2 30,-0.2 -0.889 58.9-157.0-128.0 154.4 17.1 10.0 50.0 44 -34 A R E -C 72 0A 17 28,-2.8 28,-2.6 -2,-0.3 2,-0.5 -0.997 10.2-156.5-129.1 134.8 14.5 10.2 47.3 45 -33 A F E -C 71 0A 2 7,-0.4 7,-3.4 -2,-0.4 2,-0.4 -0.960 10.7-164.7-116.9 125.4 11.5 12.6 47.4 46 -32 A L E -CD 70 51A 41 24,-3.3 24,-2.7 -2,-0.5 2,-0.4 -0.892 11.9-172.7-112.2 142.4 8.4 11.8 45.5 47 -31 A Y E > S- D 0 50A 17 3,-2.8 3,-1.7 -2,-0.4 22,-0.1 -0.994 84.0 -10.2-129.5 124.7 5.4 14.0 44.5 48 -30 A D T 3 S- 0 0 128 20,-0.4 -1,-0.1 -2,-0.4 3,-0.1 0.916 131.2 -56.8 50.3 45.4 2.4 12.3 42.9 49 -29 A G T 3 S+ 0 0 58 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.456 116.7 112.3 70.7 2.1 4.6 9.2 42.6 50 -28 A I E < S-D 47 0A 118 -3,-1.7 -3,-2.8 1,-0.0 -1,-0.2 -0.914 72.1-112.0-113.5 136.1 7.3 10.9 40.6 51 -27 A R E -D 46 0A 40 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.3 -0.422 29.5-134.9 -70.3 133.4 10.8 11.6 41.9 52 -26 A I - 0 0 5 -7,-3.4 -7,-0.4 -2,-0.2 2,-0.3 -0.719 9.4-146.8 -91.5 135.5 11.7 15.3 42.5 53 -25 A Q > - 0 0 17 -2,-0.4 3,-1.9 1,-0.1 -28,-0.3 -0.791 24.4-117.4 -99.7 149.1 14.9 16.7 41.3 54 -24 A A T 3 S+ 0 0 15 -2,-0.3 -28,-1.8 1,-0.3 -27,-0.2 0.695 110.8 56.8 -58.4 -28.6 16.5 19.5 43.4 55 -23 A D T 3 S+ 0 0 85 -30,-0.2 -1,-0.3 -31,-0.2 2,-0.2 0.581 86.4 102.5 -82.2 -12.6 16.3 22.2 40.6 56 -22 A Q < - 0 0 50 -3,-1.9 -31,-3.0 -32,-0.1 -30,-0.2 -0.517 58.9-150.2 -78.4 144.9 12.5 21.8 40.3 57 -21 A T > - 0 0 13 -33,-0.3 4,-1.8 -2,-0.2 -35,-0.1 -0.623 29.1-109.8-107.3 161.5 10.1 24.3 41.8 58 -20 A P T 4>S+ 0 0 0 0, 0.0 5,-2.3 0, 0.0 4,-0.3 0.893 122.6 55.0 -56.2 -37.9 6.6 23.9 43.1 59 -19 A E T >45S+ 0 0 116 -38,-2.6 3,-1.4 1,-0.2 -37,-0.1 0.923 104.2 53.4 -57.7 -47.3 5.5 25.9 40.0 60 -18 A D T 345S+ 0 0 94 -39,-0.3 -1,-0.2 1,-0.3 -38,-0.1 0.887 115.9 39.8 -54.9 -38.8 7.2 23.4 37.7 61 -17 A L T 3<5S- 0 0 42 -4,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.322 107.2-122.2 -97.8 6.2 5.3 20.6 39.4 62 -16 A D T < 5 + 0 0 131 -3,-1.4 -3,-0.2 -4,-0.3 2,-0.1 0.863 48.2 176.4 50.7 44.5 1.9 22.3 39.7 63 -15 A M < - 0 0 8 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.483 13.7-151.3 -77.2 151.6 2.0 21.8 43.5 64 -14 A E > - 0 0 127 -2,-0.1 3,-2.1 1,-0.1 -60,-0.1 -0.771 33.1 -70.0-122.3 165.0 -0.8 23.2 45.6 65 -13 A D T 3 S+ 0 0 66 1,-0.3 -59,-0.2 -2,-0.3 -1,-0.1 -0.243 118.7 11.7 -55.2 133.3 -1.1 24.4 49.2 66 -12 A N T 3 S+ 0 0 111 -61,-2.5 -1,-0.3 1,-0.2 -60,-0.2 0.535 88.8 152.5 71.6 11.5 -0.9 21.5 51.7 67 -11 A D E < -b 6 0A 36 -3,-2.1 -60,-2.0 -62,-0.6 2,-0.4 -0.255 39.8-123.3 -61.5 161.8 0.3 19.0 49.2 68 -10 A I E -b 7 0A 86 -62,-0.2 2,-0.5 -60,-0.0 -20,-0.4 -0.885 15.6-160.5-116.8 137.5 2.5 16.1 50.4 69 -9 A I E -b 8 0A 0 -62,-2.9 -60,-2.6 -2,-0.4 2,-0.5 -0.975 17.6-142.9-110.6 130.0 6.0 15.0 49.4 70 -8 A E E -bC 9 46A 105 -24,-2.7 -24,-3.3 -2,-0.5 2,-0.4 -0.807 11.7-155.1 -98.4 133.6 6.9 11.4 50.3 71 -7 A A E + C 0 45A 4 -62,-3.1 2,-0.3 -2,-0.5 -26,-0.2 -0.861 16.9 171.6-109.7 137.8 10.5 10.8 51.4 72 -6 A H E - C 0 44A 76 -28,-2.6 -28,-2.8 -2,-0.4 2,-0.3 -0.969 32.8-121.2-137.9 153.5 12.2 7.3 51.0 73 -5 A R E - C 0 43A 85 -2,-0.3 2,-0.4 -30,-0.2 -30,-0.2 -0.746 28.4-166.4 -82.0 142.4 15.7 5.8 51.4 74 -4 A E - 0 0 50 -32,-0.9 2,-0.5 -2,-0.3 3,-0.1 -0.986 5.5-168.2-127.0 125.7 17.0 4.2 48.2 75 -3 A Q > - 0 0 42 -2,-0.4 3,-1.6 1,-0.1 19,-0.1 -0.971 14.9-150.1-109.2 130.9 20.0 2.0 48.4 76 -2 A I T 3 S+ 0 0 50 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.865 98.0 60.5 -66.1 -36.0 21.3 1.1 45.0 77 -1 A G T 3 S- 0 0 69 16,-0.3 -1,-0.3 1,-0.2 2,-0.1 0.601 117.9-108.9 -67.7 -12.0 22.5 -2.2 46.2 78 0 A G < - 0 0 40 -3,-1.6 2,-0.4 15,-0.1 -1,-0.2 -0.459 25.3 -91.6 107.4 176.7 18.9 -3.1 47.1 79 1 A S + 0 0 78 -2,-0.1 2,-0.4 -3,-0.1 14,-0.1 -0.967 37.2 164.6-137.9 119.6 16.9 -3.5 50.3 80 2 A T - 0 0 110 -2,-0.4 2,-0.6 12,-0.1 12,-0.5 -0.969 17.0-162.9-134.9 113.1 16.4 -6.7 52.3 81 3 A V E -E 91 0B 75 -2,-0.4 2,-0.4 10,-0.1 10,-0.2 -0.898 9.7-158.4-101.9 124.9 15.1 -6.4 55.8 82 4 A V E -E 90 0B 50 8,-2.8 8,-2.1 -2,-0.6 2,-0.5 -0.856 4.5-152.5-107.5 130.4 15.6 -9.6 57.9 83 5 A T E -E 89 0B 85 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.906 16.3-152.1-101.8 133.4 13.6 -10.4 61.0 84 6 A T > - 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