==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE, PROTEIN BINDING 31-OCT-11 3UF8 . 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 . 192 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 29.2 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 . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 1 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 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 0 PARALLEL BRIDGES PER LADDER . 2 2 2 1 1 1 1 1 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 1 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 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 -78 A P 0 0 155 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -31.1 5.9 24.6 52.7 2 -77 A E + 0 0 74 1,-0.1 20,-0.1 3,-0.0 0, 0.0 0.935 360.0 27.8 -75.1 -48.3 5.0 25.4 49.0 3 -76 A T S S+ 0 0 76 18,-0.1 19,-3.1 19,-0.0 20,-0.4 0.696 116.5 56.1 -92.3 -22.6 8.4 25.4 47.4 4 -75 A H E -A 21 0A 73 17,-0.3 2,-0.3 18,-0.1 17,-0.3 -0.661 60.9-155.4-115.1 163.5 10.4 23.0 49.6 5 -74 A I E -A 20 0A 2 15,-2.6 15,-2.1 -2,-0.2 2,-0.5 -0.998 12.0-138.1-142.3 139.9 9.9 19.4 50.6 6 -73 A N E -A 19 0A 61 -2,-0.3 61,-3.0 13,-0.2 62,-0.5 -0.879 27.1-176.1 -97.1 125.2 11.1 17.2 53.6 7 -72 A L E -Ab 18 68A 0 11,-3.0 11,-2.6 -2,-0.5 2,-0.4 -0.971 18.5-138.0-126.4 145.2 12.3 13.7 52.6 8 -71 A K E -Ab 17 69A 18 60,-2.8 62,-3.0 -2,-0.3 2,-0.5 -0.832 10.9-159.2-101.9 132.0 13.5 10.8 54.8 9 -70 A V E -Ab 16 70A 0 7,-2.8 7,-1.9 -2,-0.4 2,-0.4 -0.977 11.2-172.6-109.1 123.0 16.5 8.6 53.7 10 -69 A S E -Ab 15 71A 26 60,-2.4 62,-2.7 -2,-0.5 5,-0.2 -0.944 19.1-179.0-112.4 136.2 16.6 5.2 55.3 11 -68 A D - 0 0 34 3,-1.7 63,-0.2 -2,-0.4 4,-0.1 0.181 61.2 -98.3-113.3 16.2 19.6 2.8 55.0 12 -67 A G S S+ 0 0 48 2,-0.4 3,-0.1 1,-0.1 107,-0.1 0.226 119.1 56.0 83.8 -8.4 18.0 0.0 57.0 13 -66 A S S S- 0 0 10 1,-0.4 2,-0.3 106,-0.1 106,-0.1 0.665 117.5 -10.3-117.8 -45.5 20.0 1.1 60.2 14 -65 A S - 0 0 28 101,-0.0 -3,-1.7 104,-0.0 -1,-0.4 -0.883 60.8-122.5-148.3-177.6 19.1 4.7 60.7 15 -64 A E E -A 10 0A 93 104,-0.3 2,-0.4 -2,-0.3 -5,-0.2 -0.969 13.0-172.5-134.7 145.2 17.3 7.7 59.1 16 -63 A I E -A 9 0A 43 -7,-1.9 -7,-2.8 -2,-0.3 2,-0.3 -0.989 19.5-139.7-133.4 142.2 18.4 11.2 58.2 17 -62 A F E -A 8 0A 112 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.785 14.8-165.7-106.2 147.7 15.9 13.9 56.9 18 -61 A F E -A 7 0A 26 -11,-2.6 -11,-3.0 -2,-0.3 2,-0.5 -0.997 9.5-158.2-133.7 133.6 16.6 16.3 54.1 19 -60 A K E +A 6 0A 132 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.974 27.1 156.9-114.5 121.7 14.7 19.5 53.1 20 -59 A I E -A 5 0A 21 -15,-2.1 -15,-2.6 -2,-0.5 2,-0.1 -0.908 48.4 -89.4-133.3 160.6 15.3 20.7 49.5 21 -58 A K E > -A 4 0A 77 -2,-0.3 3,-1.8 -17,-0.3 -17,-0.3 -0.482 38.4-120.2 -66.7 146.9 13.4 22.8 47.0 22 -57 A K T 3 S+ 0 0 72 -19,-3.1 38,-2.2 1,-0.3 39,-0.3 0.717 114.8 50.9 -63.7 -20.1 11.0 20.7 44.9 23 -56 A T T 3 S+ 0 0 64 -20,-0.4 -1,-0.3 36,-0.2 -19,-0.1 0.331 86.7 105.4 -94.8 -1.6 13.0 21.9 41.8 24 -55 A T S < S- 0 0 36 -3,-1.8 36,-0.1 1,-0.1 5,-0.1 -0.685 79.5-111.2 -82.7 131.9 16.4 20.9 43.2 25 -54 A P > - 0 0 53 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.384 22.0-120.5 -62.7 145.3 17.9 17.8 41.7 26 -53 A L T >> S+ 0 0 1 31,-3.2 4,-3.0 28,-0.3 3,-0.5 0.700 103.1 84.6 -62.8 -17.9 18.1 14.8 44.1 27 -52 A R H 3> S+ 0 0 112 28,-2.3 4,-3.0 1,-0.2 -1,-0.3 0.876 86.3 55.5 -46.2 -42.1 21.9 14.9 43.5 28 -51 A R H <> S+ 0 0 159 -3,-2.0 4,-1.9 27,-0.2 -1,-0.2 0.892 111.6 41.7 -65.7 -38.2 22.1 17.5 46.2 29 -50 A L H <> S+ 0 0 1 -3,-0.5 4,-2.5 -4,-0.4 -2,-0.2 0.910 114.7 51.2 -69.9 -44.5 20.3 15.3 48.8 30 -49 A M H X S+ 0 0 14 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.922 112.4 46.5 -62.8 -43.1 22.2 12.2 47.7 31 -48 A E H X S+ 0 0 44 -4,-3.0 4,-2.7 -5,-0.3 5,-0.2 0.898 110.8 51.9 -66.2 -41.1 25.5 14.1 48.1 32 -47 A A H X S+ 0 0 42 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.905 112.4 47.3 -62.1 -39.0 24.5 15.5 51.5 33 -46 A F H X S+ 0 0 6 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.960 112.4 48.6 -64.6 -49.5 23.6 12.0 52.7 34 -45 A A H X>S+ 0 0 3 -4,-2.6 5,-2.7 1,-0.2 4,-0.7 0.909 112.6 47.9 -58.1 -45.2 26.8 10.5 51.4 35 -44 A K H ><5S+ 0 0 157 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.906 109.8 51.4 -67.2 -39.6 29.0 13.2 53.0 36 -43 A R H 3<5S+ 0 0 200 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.904 115.1 43.8 -64.7 -34.9 27.2 12.9 56.4 37 -42 A Q H 3<5S- 0 0 89 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.524 110.4-121.3 -87.1 -5.8 27.8 9.2 56.3 38 -41 A G T <<5 + 0 0 72 -3,-0.8 2,-0.3 -4,-0.7 -3,-0.2 0.875 67.8 134.4 66.0 38.3 31.4 9.4 55.1 39 -40 A K < - 0 0 35 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.868 61.0-108.6-120.9 150.9 30.6 7.3 52.0 40 -39 A E > - 0 0 153 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.615 23.9-131.2 -73.7 134.0 31.4 7.7 48.3 41 -38 A M G > S+ 0 0 49 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.865 107.0 59.9 -45.5 -44.4 28.5 8.7 46.1 42 -37 A D G 3 S+ 0 0 106 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.592 97.0 60.0 -69.6 -12.8 29.4 5.8 43.7 43 -36 A S G < S+ 0 0 56 -3,-1.7 2,-0.4 2,-0.0 -1,-0.3 0.515 96.8 80.9 -86.0 -9.0 29.0 3.3 46.5 44 -35 A L < - 0 0 20 -3,-1.9 2,-0.4 -4,-0.3 30,-0.2 -0.865 53.4-171.5-113.0 138.7 25.3 4.3 47.0 45 -34 A R E -C 73 0A 44 28,-2.2 28,-3.3 -2,-0.4 2,-0.4 -0.973 14.4-155.1-122.6 132.7 22.1 3.4 45.1 46 -33 A F E -C 72 0A 2 -2,-0.4 7,-2.9 7,-0.4 2,-0.4 -0.930 8.7-171.2-118.1 134.2 18.8 5.2 45.9 47 -32 A L E -CD 71 52A 44 24,-2.5 24,-2.6 -2,-0.4 2,-0.4 -0.920 8.0-170.9-122.6 146.3 15.3 3.9 45.4 48 -31 A Y E > S- D 0 51A 23 3,-2.4 3,-2.3 -2,-0.4 22,-0.1 -0.983 82.2 -13.8-134.8 124.5 11.9 5.6 45.7 49 -30 A D T 3 S- 0 0 129 20,-0.5 3,-0.1 -2,-0.4 -1,-0.1 0.846 129.4 -57.6 51.7 36.1 8.7 3.6 45.5 50 -29 A G T 3 S+ 0 0 61 1,-0.2 2,-0.4 21,-0.0 -1,-0.3 0.370 114.3 116.8 77.5 -2.6 11.0 0.7 44.2 51 -28 A I E < S-D 48 0A 121 -3,-2.3 -3,-2.4 1,-0.0 2,-0.2 -0.834 71.8-112.8-102.7 134.2 12.3 2.8 41.2 52 -27 A R E -D 47 0A 137 -2,-0.4 -5,-0.2 -5,-0.2 2,-0.2 -0.448 31.5-136.5 -64.9 127.5 15.9 3.7 40.9 53 -26 A I - 0 0 9 -7,-2.9 -7,-0.4 -2,-0.2 2,-0.4 -0.583 9.2-150.0 -82.5 140.4 16.5 7.4 41.3 54 -25 A Q > - 0 0 118 -2,-0.2 3,-2.0 1,-0.1 -28,-0.3 -0.914 23.3-120.5-107.8 150.4 18.9 9.3 39.0 55 -24 A A T 3 S+ 0 0 17 -2,-0.4 -28,-2.3 1,-0.3 -27,-0.2 0.723 109.0 57.5 -64.9 -25.3 20.7 12.4 40.4 56 -23 A D T 3 S+ 0 0 122 -30,-0.2 2,-0.3 -31,-0.2 -1,-0.3 0.459 86.1 100.9 -86.4 2.6 19.3 14.8 37.8 57 -22 A Q < - 0 0 39 -3,-2.0 -31,-3.2 -32,-0.1 -30,-0.2 -0.652 61.3-148.0 -88.2 140.6 15.7 14.0 38.8 58 -21 A T > - 0 0 14 -2,-0.3 4,-1.6 -33,-0.3 6,-0.1 -0.651 27.4-110.5-102.2 162.1 13.8 16.4 41.1 59 -20 A P T 4>S+ 0 0 0 0, 0.0 5,-2.5 0, 0.0 4,-0.3 0.900 121.5 54.7 -54.6 -37.7 11.1 15.8 43.7 60 -19 A E T >45S+ 0 0 117 -38,-2.2 3,-1.5 1,-0.2 -37,-0.1 0.934 104.9 53.0 -60.6 -47.6 8.7 17.5 41.4 61 -18 A D T 345S+ 0 0 97 -39,-0.3 -1,-0.2 1,-0.3 -38,-0.1 0.860 114.0 42.4 -54.1 -39.0 9.6 15.1 38.6 62 -17 A L T 3<5S- 0 0 46 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.340 108.9-120.9 -97.1 7.2 8.9 12.1 40.8 63 -16 A D T < 5 + 0 0 137 -3,-1.5 -3,-0.2 -4,-0.3 2,-0.1 0.864 48.8 178.2 57.5 38.9 5.7 13.5 42.4 64 -15 A M < - 0 0 15 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.2 -0.435 14.3-156.8 -72.8 148.9 7.2 13.3 45.8 65 -14 A E > - 0 0 140 -2,-0.1 3,-2.1 1,-0.1 -60,-0.1 -0.896 36.1 -73.7-120.9 158.5 5.3 14.4 48.9 66 -13 A D T 3 S+ 0 0 90 -2,-0.3 -59,-0.2 1,-0.3 -1,-0.1 -0.147 117.5 17.5 -52.5 137.1 6.6 15.6 52.3 67 -12 A N T 3 S+ 0 0 84 -61,-3.0 -1,-0.3 1,-0.3 -60,-0.2 0.495 86.0 150.1 74.5 5.9 7.9 12.7 54.5 68 -11 A D E < -b 7 0A 39 -3,-2.1 -60,-2.8 -62,-0.5 2,-0.4 -0.343 44.3-119.7 -60.9 154.4 8.2 10.3 51.6 69 -10 A I E -b 8 0A 79 -62,-0.2 -20,-0.5 -60,-0.1 2,-0.4 -0.854 21.5-166.7-106.7 132.4 11.0 7.7 52.1 70 -9 A I E -b 9 0A 2 -62,-3.0 -60,-2.4 -2,-0.4 2,-0.5 -0.964 18.5-140.1-108.6 130.6 14.1 7.2 49.9 71 -8 A E E -bC 10 47A 94 -24,-2.6 -24,-2.5 -2,-0.4 2,-0.5 -0.835 8.5-155.2 -94.2 130.2 16.0 4.0 50.5 72 -7 A A E - C 0 46A 4 -62,-2.7 2,-0.5 -2,-0.5 -26,-0.2 -0.912 9.9-162.2-103.1 122.4 19.8 4.2 50.3 73 -6 A H E + C 0 45A 39 -28,-3.3 -28,-2.2 -2,-0.5 -61,-0.1 -0.928 25.1 160.8-113.2 121.3 21.4 0.9 49.4 74 -5 A R + 0 0 55 -2,-0.5 -1,-0.1 -63,-0.2 3,-0.1 0.462 44.5 109.8-110.4 -12.1 25.1 0.4 50.2 75 -4 A E S S- 0 0 20 1,-0.2 20,-0.2 -30,-0.1 19,-0.1 -0.169 83.8 -70.3 -68.1 160.8 25.1 -3.4 50.0 76 -3 A Q > - 0 0 136 18,-1.8 3,-0.6 17,-0.3 -1,-0.2 -0.149 58.0-103.3 -49.5 138.2 26.7 -5.5 47.3 77 -2 A I T 3 S+ 0 0 130 1,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.342 96.2 60.8 -59.4 144.4 25.0 -5.3 43.9 78 -1 A G T 3 S- 0 0 80 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.327 112.7 -51.9 119.9 -6.2 22.9 -8.3 43.0 79 0 A G < - 0 0 63 -3,-0.6 2,-0.1 -4,-0.1 -3,-0.1 0.332 56.9-106.5 112.2 125.5 20.2 -8.6 45.7 80 1 A S - 0 0 68 -5,-0.1 2,-0.4 12,-0.0 14,-0.1 -0.328 22.3-156.8 -76.3 156.5 20.4 -8.7 49.5 81 2 A T - 0 0 101 12,-0.2 2,-0.6 -2,-0.1 12,-0.5 -0.978 1.7-160.0-135.1 118.4 19.9 -11.7 51.7 82 3 A V - 0 0 79 -2,-0.4 2,-0.4 10,-0.1 10,-0.2 -0.923 16.8-154.6 -97.5 121.8 18.8 -11.4 55.4 83 4 A V E -E 91 0B 46 8,-3.0 8,-2.3 -2,-0.6 2,-0.5 -0.798 8.0-164.1 -98.5 129.4 19.7 -14.7 57.1 84 5 A T E -E 90 0B 77 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.983 14.2-154.6-112.3 123.2 17.8 -15.8 60.3 85 6 A T > - 0 0 38 4,-2.5 3,-1.8 -2,-0.5 0, 0.0 -0.342 35.3 -92.3 -87.2 175.0 19.6 -18.5 62.3 86 7 A E T 3 S+ 0 0 204 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.740 124.3 57.8 -57.7 -21.6 18.0 -21.1 64.6 87 8 A S T 3 S- 0 0 43 2,-0.1 -1,-0.3 57,-0.0 3,-0.1 0.581 119.0-107.2 -82.7 -13.6 18.6 -18.7 67.6 88 9 A G S < S+ 0 0 32 -3,-1.8 -2,-0.1 1,-0.4 2,-0.1 0.289 74.1 141.1 93.4 -7.5 16.5 -16.0 66.0 89 10 A L - 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