==== 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 19-JUN-12 4FN2 . 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 . 380 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20015.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 66.3 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 . 114 30.0 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 1.1 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 . 22 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 8.2 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 3 3 4 2 3 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 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 -76 A T 0 0 122 0, 0.0 19,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -26.6 3.8 34.4 46.5 2 -75 A H E -A 19 0A 89 17,-0.3 2,-0.3 18,-0.1 17,-0.3 -0.960 360.0-167.0-127.4 145.4 4.7 32.0 49.3 3 -74 A I E -A 18 0A 7 15,-2.8 15,-3.4 -2,-0.4 2,-0.4 -0.932 19.4-126.4-127.5 156.3 3.5 28.5 50.3 4 -73 A N E -A 17 0A 62 -2,-0.3 61,-2.5 13,-0.2 62,-0.8 -0.842 29.1-175.4 -92.9 137.1 3.8 26.1 53.2 5 -72 A L E -Ab 16 66A 2 11,-2.1 11,-2.6 -2,-0.4 2,-0.4 -0.945 15.5-148.4-131.2 147.9 5.2 22.6 52.6 6 -71 A K E -Ab 15 67A 48 60,-2.3 62,-3.0 -2,-0.3 2,-0.5 -0.975 8.9-161.0-115.9 135.5 5.6 19.6 54.9 7 -70 A V E +Ab 14 68A 0 7,-2.7 7,-2.6 -2,-0.4 2,-0.4 -0.979 15.5 177.4-117.2 125.3 8.4 17.2 54.4 8 -69 A S E -Ab 13 69A 18 60,-2.2 62,-3.0 -2,-0.5 5,-0.2 -0.994 30.3-175.7-132.9 138.4 8.1 13.8 55.9 9 -68 A D S S- 0 0 65 3,-1.8 63,-0.1 -2,-0.4 4,-0.1 0.131 70.2 -91.6-107.8 16.9 10.2 10.6 56.0 10 -67 A G S S+ 0 0 69 2,-0.4 3,-0.1 1,-0.1 107,-0.1 0.164 122.6 36.5 91.7 -18.0 7.6 8.7 57.9 11 -66 A S S S+ 0 0 41 1,-0.4 2,-0.3 105,-0.1 -1,-0.1 0.579 110.5 51.2-123.6 -63.0 9.2 9.6 61.2 12 -65 A S - 0 0 15 105,-0.1 -3,-1.8 2,-0.0 2,-0.4 -0.645 63.1-171.5 -81.4 132.0 10.5 13.2 61.1 13 -64 A E E -A 8 0A 93 103,-0.4 2,-0.4 -2,-0.3 -5,-0.2 -0.963 4.9-176.2-126.0 117.8 8.1 15.8 59.8 14 -63 A I E -A 7 0A 9 -7,-2.6 -7,-2.7 -2,-0.4 2,-0.4 -0.939 13.5-146.0-118.9 136.4 9.4 19.3 59.1 15 -62 A F E -A 6 0A 137 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.803 18.9-179.1-106.7 139.0 7.4 22.4 58.1 16 -61 A F E -A 5 0A 36 -11,-2.6 -11,-2.1 -2,-0.4 2,-0.4 -0.912 22.5-149.8-136.2 149.8 8.7 25.1 55.7 17 -60 A K E +A 4 0A 152 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.995 30.7 177.6-122.5 123.1 7.4 28.3 54.3 18 -59 A I E -A 3 0A 14 -15,-3.4 -15,-2.8 -2,-0.4 2,-0.2 -0.972 34.2-115.4-136.2 137.2 8.9 29.0 50.9 19 -58 A K E > -A 2 0A 99 -2,-0.4 3,-2.1 -17,-0.3 -17,-0.3 -0.507 33.1-124.1 -64.4 139.8 8.7 31.6 48.1 20 -57 A K T 3 S+ 0 0 69 -19,-2.7 38,-2.5 1,-0.3 39,-0.3 0.707 110.5 51.2 -64.0 -20.3 7.2 29.9 45.0 21 -56 A T T 3 S+ 0 0 77 -20,-0.3 -1,-0.3 36,-0.2 -19,-0.1 0.356 88.6 106.1 -96.5 2.1 10.2 31.1 42.8 22 -55 A T S < S- 0 0 50 -3,-2.1 36,-0.1 1,-0.1 -4,-0.0 -0.723 75.5-116.1 -91.0 130.3 12.8 29.6 45.3 23 -54 A P > - 0 0 59 0, 0.0 3,-0.5 0, 0.0 4,-0.3 -0.255 20.4-123.7 -61.8 151.2 14.7 26.4 44.4 24 -53 A L T 3> S+ 0 0 0 31,-2.6 4,-2.9 28,-0.4 5,-0.2 0.512 87.4 98.9 -76.1 -3.6 14.0 23.5 46.7 25 -52 A R H 3> S+ 0 0 108 28,-1.7 4,-3.2 1,-0.2 5,-0.2 0.899 81.3 46.8 -47.9 -55.0 17.7 23.0 47.5 26 -51 A R H <> S+ 0 0 193 -3,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.877 113.5 48.5 -60.9 -41.6 17.7 24.8 50.9 27 -50 A L H > S+ 0 0 8 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.928 113.6 47.3 -63.0 -45.4 14.6 23.0 52.0 28 -49 A M H X S+ 0 0 3 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.909 113.8 47.3 -63.9 -44.4 16.1 19.7 51.0 29 -48 A E H X S+ 0 0 88 -4,-3.2 4,-2.8 -5,-0.2 5,-0.2 0.900 110.5 53.2 -62.0 -43.3 19.4 20.5 52.7 30 -47 A A H X S+ 0 0 45 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.938 110.0 46.7 -58.0 -49.5 17.6 21.6 55.9 31 -46 A F H X S+ 0 0 2 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.951 115.7 45.7 -60.9 -48.3 15.6 18.3 56.1 32 -45 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 3,-0.8 0.912 111.2 51.7 -59.4 -45.4 18.8 16.2 55.5 33 -44 A K H ><5S+ 0 0 65 -4,-2.8 3,-2.3 1,-0.3 -1,-0.2 0.846 99.4 63.6 -65.9 -32.8 20.9 18.2 58.0 34 -43 A R H 3<5S+ 0 0 154 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.840 105.5 46.9 -62.7 -28.4 18.4 17.8 60.7 35 -42 A Q T <<5S- 0 0 23 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.226 123.0-109.3 -91.5 15.7 19.0 14.0 60.5 36 -41 A G T < 5S+ 0 0 56 -3,-2.3 2,-0.2 1,-0.2 -3,-0.2 0.809 81.3 121.4 64.5 28.3 22.8 14.7 60.5 37 -40 A K < - 0 0 46 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.2 -0.778 66.4-107.3-121.8 163.8 23.0 13.7 56.8 38 -39 A E > - 0 0 68 -2,-0.2 3,-1.9 -3,-0.1 4,-0.4 -0.653 32.9-118.2 -84.6 146.9 24.0 15.0 53.4 39 -38 A M G > S+ 0 0 54 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.856 110.4 63.3 -51.9 -41.6 21.3 15.9 50.9 40 -37 A D G 3 S+ 0 0 82 1,-0.3 -1,-0.3 3,-0.0 -11,-0.0 0.579 89.8 67.6 -68.3 -10.5 22.5 13.3 48.4 41 -36 A S G < S+ 0 0 33 -3,-1.9 32,-1.5 31,-0.1 -1,-0.3 0.678 100.6 60.8 -76.6 -18.8 21.8 10.4 50.8 42 -35 A L E < -C 72 0A 14 -3,-1.9 2,-0.4 -4,-0.4 30,-0.2 -0.681 67.0-147.3-110.3 161.9 18.0 11.2 50.4 43 -34 A R E -C 71 0A 18 28,-2.9 28,-2.1 -2,-0.2 2,-0.5 -0.999 13.8-155.6-125.3 131.1 15.4 11.2 47.7 44 -33 A F E -C 70 0A 5 7,-0.5 7,-3.7 -2,-0.4 2,-0.4 -0.935 10.1-166.2-112.6 122.3 12.5 13.7 47.8 45 -32 A L E -CD 69 50A 41 24,-3.1 24,-2.6 -2,-0.5 2,-0.5 -0.893 12.6-169.3-111.3 136.3 9.3 13.0 46.0 46 -31 A Y E > S- D 0 49A 19 3,-3.2 3,-1.8 -2,-0.4 22,-0.1 -0.988 85.6 -13.9-116.1 118.3 6.4 15.3 45.1 47 -30 A D T 3 S- 0 0 131 -2,-0.5 -1,-0.1 20,-0.4 3,-0.1 0.862 130.9 -53.5 60.8 39.7 3.3 13.4 43.8 48 -29 A G T 3 S+ 0 0 57 1,-0.2 2,-0.4 21,-0.0 -1,-0.3 0.327 117.6 116.1 74.7 -5.2 5.4 10.3 43.3 49 -28 A I E < S-D 46 0A 114 -3,-1.8 -3,-3.2 1,-0.0 -1,-0.2 -0.802 70.4-115.1-102.3 136.2 8.0 12.3 41.2 50 -27 A R E -D 45 0A 62 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.3 -0.466 28.5-140.5 -69.8 131.4 11.5 12.8 42.3 51 -26 A I - 0 0 5 -7,-3.7 -7,-0.5 -2,-0.2 2,-0.3 -0.729 7.5-147.1 -94.5 143.7 12.4 16.5 43.0 52 -25 A Q > - 0 0 24 -2,-0.3 3,-2.2 -9,-0.1 -28,-0.4 -0.846 25.3-114.6-111.4 146.8 15.8 18.0 42.0 53 -24 A A T 3 S+ 0 0 13 -2,-0.3 -28,-1.7 1,-0.3 -27,-0.2 0.682 112.0 53.0 -54.7 -25.8 17.5 20.7 44.0 54 -23 A D T 3 S+ 0 0 95 -30,-0.2 -1,-0.3 -31,-0.2 2,-0.1 0.579 86.9 99.9 -92.0 -8.6 17.2 23.4 41.3 55 -22 A Q < - 0 0 52 -3,-2.2 -31,-2.6 -32,-0.1 -30,-0.2 -0.430 61.4-145.0 -74.7 154.7 13.4 23.0 40.8 56 -21 A T > - 0 0 13 -33,-0.3 4,-1.5 -32,-0.1 5,-0.2 -0.762 27.5-108.9-113.2 162.1 10.9 25.5 42.4 57 -20 A P T 4>S+ 0 0 1 0, 0.0 5,-2.4 0, 0.0 4,-0.5 0.901 123.0 54.5 -49.3 -44.3 7.4 25.1 43.9 58 -19 A E T >45S+ 0 0 123 -38,-2.5 3,-1.2 1,-0.2 -37,-0.1 0.905 103.9 53.1 -54.5 -47.3 6.3 27.1 40.8 59 -18 A D T 345S+ 0 0 99 -39,-0.3 -1,-0.2 1,-0.3 -38,-0.1 0.823 115.9 40.7 -60.9 -32.9 7.9 24.6 38.4 60 -17 A L T 3<5S- 0 0 38 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.376 108.3-121.7 -97.3 0.7 6.1 21.7 40.1 61 -16 A D T < 5 + 0 0 131 -3,-1.2 -3,-0.2 -4,-0.5 2,-0.2 0.904 47.2 178.5 57.3 43.6 2.7 23.5 40.5 62 -15 A M < - 0 0 11 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.2 -0.480 13.0-152.1 -77.5 146.9 2.9 23.0 44.3 63 -14 A E > - 0 0 131 -2,-0.2 3,-2.0 1,-0.1 -60,-0.1 -0.829 33.8 -72.8-116.7 160.0 0.1 24.4 46.5 64 -13 A D T 3 S+ 0 0 81 -2,-0.3 -59,-0.2 1,-0.3 -1,-0.1 -0.196 118.4 15.8 -48.5 135.7 -0.1 25.5 50.1 65 -12 A N T 3 S+ 0 0 114 -61,-2.5 -1,-0.3 1,-0.2 -60,-0.2 0.588 89.3 153.7 67.0 19.5 0.2 22.7 52.6 66 -11 A D E < -b 5 0A 32 -3,-2.0 -60,-2.3 -62,-0.8 2,-0.4 -0.309 38.4-124.7 -68.0 158.5 1.5 20.2 50.0 67 -10 A I E -b 6 0A 69 -62,-0.2 2,-0.5 -60,-0.0 -20,-0.4 -0.909 14.9-161.4-112.1 136.7 3.6 17.3 51.2 68 -9 A I E -b 7 0A 0 -62,-3.0 -60,-2.2 -2,-0.4 2,-0.5 -0.958 17.9-145.6-109.5 126.2 7.1 16.2 50.0 69 -8 A E E -bC 8 45A 101 -24,-2.6 -24,-3.1 -2,-0.5 2,-0.4 -0.851 12.2-159.0 -95.9 132.3 7.9 12.6 50.9 70 -7 A A E + C 0 44A 2 -62,-3.0 2,-0.3 -2,-0.5 -26,-0.2 -0.870 14.9 169.8-114.7 140.8 11.5 11.8 51.8 71 -6 A H E - C 0 43A 85 -28,-2.1 -28,-2.9 -2,-0.4 2,-0.3 -0.978 33.1-120.1-140.9 151.5 13.2 8.4 51.6 72 -5 A R E - C 0 42A 81 -2,-0.3 2,-0.5 -30,-0.2 -30,-0.2 -0.703 28.9-156.8 -87.5 145.1 16.8 7.2 51.9 73 -4 A E - 0 0 61 -32,-1.5 2,-0.5 -2,-0.3 3,-0.1 -0.996 9.7-167.3-123.1 129.1 18.0 5.4 48.8 74 -3 A Q > - 0 0 48 -2,-0.5 3,-0.6 1,-0.1 19,-0.1 -0.961 16.2-148.9-107.3 131.1 20.8 3.0 48.9 75 -2 A I T 3 S+ 0 0 53 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.875 98.7 61.7 -67.7 -35.9 21.9 2.1 45.4 76 -1 A G T 3 S- 0 0 79 16,-0.2 -1,-0.2 1,-0.2 2,-0.2 0.780 115.7-111.6 -56.6 -29.8 22.8 -1.3 46.7 77 0 A G < - 0 0 41 -3,-0.6 2,-0.4 15,-0.1 -1,-0.2 -0.630 26.5 -86.4 116.3 179.7 19.2 -2.0 47.7 78 1 A S + 0 0 80 -2,-0.2 2,-0.4 -3,-0.1 14,-0.1 -0.977 38.8 166.7-137.9 114.9 17.3 -2.4 50.9 79 2 A T - 0 0 110 -2,-0.4 2,-0.5 12,-0.2 12,-0.5 -0.966 14.5-164.9-129.7 116.8 16.9 -5.5 52.9 80 3 A V E -E 90 0B 75 -2,-0.4 2,-0.4 10,-0.1 10,-0.2 -0.906 9.3-156.2-106.4 126.2 15.6 -5.3 56.5 81 4 A V E -E 89 0B 55 8,-3.1 8,-2.4 -2,-0.5 2,-0.5 -0.852 4.1-153.7-107.5 131.0 16.1 -8.5 58.6 82 5 A T E -E 88 0B 82 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.910 16.2-155.5-102.3 130.3 14.0 -9.3 61.7 83 6 A T > - 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