==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE, PROTEIN BINDING 19-NOV-11 3UQA . 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 . 190 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10074.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 72.1 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 29.5 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 . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 17 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 14.2 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 1 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 -76 A T 0 0 125 0, 0.0 19,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -29.8 -30.9 9.5 12.1 2 -75 A H E -A 19 0A 89 17,-0.3 2,-0.3 18,-0.1 17,-0.2 -0.848 360.0-159.8-112.8 156.0 -28.1 7.2 13.5 3 -74 A I E -A 18 0A 1 15,-2.5 15,-2.2 -2,-0.3 2,-0.5 -0.966 13.4-135.0-130.4 147.1 -28.4 3.6 14.5 4 -73 A N E -A 17 0A 55 -2,-0.3 61,-3.2 13,-0.2 62,-0.5 -0.911 23.4-168.3-102.5 127.5 -26.3 1.3 16.8 5 -72 A L E -Ab 16 66A 0 11,-2.8 11,-2.4 -2,-0.5 2,-0.5 -0.950 14.3-141.3-118.2 137.4 -25.5 -2.1 15.4 6 -71 A K E -Ab 15 67A 40 60,-2.8 62,-3.0 -2,-0.4 2,-0.5 -0.821 14.2-160.0 -96.1 124.8 -24.0 -5.0 17.3 7 -70 A V E -Ab 14 68A 0 7,-3.4 7,-2.1 -2,-0.5 2,-0.5 -0.959 7.5-170.4-110.7 121.9 -21.5 -7.1 15.4 8 -69 A S E +Ab 13 69A 32 60,-2.7 62,-2.6 -2,-0.5 5,-0.2 -0.942 16.5 171.8-115.3 126.8 -20.9 -10.6 16.7 9 -68 A D - 0 0 10 3,-1.4 63,-0.3 -2,-0.5 4,-0.1 0.309 63.8 -93.2-113.2 4.8 -18.1 -12.8 15.3 10 -67 A G S S+ 0 0 47 2,-0.5 3,-0.1 61,-0.1 -2,-0.1 0.269 119.8 53.0 97.8 -9.5 -18.3 -15.7 17.8 11 -66 A S S S+ 0 0 9 1,-0.4 2,-0.3 106,-0.0 106,-0.1 0.655 114.4 2.9-119.3 -44.4 -15.6 -14.3 20.1 12 -65 A S - 0 0 15 101,-0.0 -3,-1.4 -5,-0.0 2,-0.5 -0.871 58.5-126.3-139.2 170.0 -16.7 -10.7 21.0 13 -64 A E E +A 8 0A 82 -2,-0.3 2,-0.4 104,-0.2 -5,-0.2 -0.988 28.8 179.5-127.2 117.1 -19.5 -8.2 20.5 14 -63 A I E -A 7 0A 43 -7,-2.1 -7,-3.4 -2,-0.5 2,-0.3 -0.905 16.5-140.5-112.9 145.5 -18.5 -4.8 19.1 15 -62 A F E -A 6 0A 110 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.821 9.8-161.6-111.6 151.2 -20.9 -2.0 18.4 16 -61 A F E -A 5 0A 29 -11,-2.4 -11,-2.8 -2,-0.3 2,-0.6 -0.998 7.8-153.5-131.3 127.7 -20.9 0.4 15.5 17 -60 A K E +A 4 0A 142 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.920 30.6 162.6 -99.9 123.3 -22.8 3.8 15.3 18 -59 A I E -A 3 0A 11 -15,-2.2 -15,-2.5 -2,-0.6 2,-0.2 -0.967 42.7-104.9-140.0 147.5 -23.6 4.6 11.7 19 -58 A K E > -A 2 0A 100 -2,-0.3 3,-1.8 -17,-0.2 -17,-0.3 -0.509 34.6-119.8 -71.4 146.3 -25.9 7.0 10.0 20 -57 A K T 3 S+ 0 0 89 -19,-2.6 38,-2.5 1,-0.3 39,-0.3 0.743 114.4 46.8 -61.3 -20.4 -28.9 5.2 8.4 21 -56 A T T 3 S+ 0 0 78 -20,-0.3 -1,-0.3 36,-0.2 -19,-0.1 0.330 88.2 105.0-103.4 6.0 -27.9 6.5 4.9 22 -55 A T S < S- 0 0 40 -3,-1.8 36,-0.1 1,-0.1 -4,-0.0 -0.725 80.9-111.0 -83.2 133.0 -24.2 5.6 5.3 23 -54 A P > - 0 0 46 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.350 20.7-121.2 -63.8 145.4 -23.3 2.5 3.3 24 -53 A L T >> S+ 0 0 0 31,-3.4 4,-2.9 28,-0.3 3,-0.6 0.656 101.6 88.4 -61.3 -16.4 -22.4 -0.6 5.5 25 -52 A R H 3> S+ 0 0 96 28,-2.1 4,-2.9 1,-0.2 -1,-0.3 0.848 82.1 58.6 -42.7 -42.2 -19.0 -0.5 3.8 26 -51 A R H <> S+ 0 0 120 -3,-2.0 4,-1.7 27,-0.2 -1,-0.2 0.895 110.1 40.5 -60.8 -47.4 -18.0 1.8 6.6 27 -50 A L H <> S+ 0 0 4 -3,-0.6 4,-2.4 -4,-0.4 -2,-0.2 0.900 115.8 50.4 -63.9 -46.1 -18.8 -0.7 9.3 28 -49 A M H X S+ 0 0 10 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.915 112.3 47.4 -64.2 -40.1 -17.4 -3.6 7.4 29 -48 A E H X S+ 0 0 73 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.889 111.9 49.2 -67.8 -40.0 -14.1 -1.8 6.7 30 -47 A A H X S+ 0 0 46 -4,-1.7 4,-1.3 -5,-0.2 -2,-0.2 0.880 113.0 48.6 -68.3 -37.7 -13.8 -0.7 10.4 31 -46 A F H X S+ 0 0 1 -4,-2.4 4,-0.9 2,-0.2 3,-0.3 0.941 112.8 46.8 -62.2 -50.2 -14.4 -4.3 11.5 32 -45 A A H >X>S+ 0 0 3 -4,-2.6 5,-2.1 1,-0.2 3,-1.0 0.895 105.6 59.2 -60.9 -43.0 -11.9 -5.7 9.0 33 -44 A K H ><5S+ 0 0 76 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.879 103.3 53.6 -56.1 -38.5 -9.3 -3.2 10.0 34 -43 A R H 3<5S+ 0 0 168 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.790 111.4 45.1 -62.0 -31.6 -9.5 -4.4 13.6 35 -42 A Q H <<5S- 0 0 57 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.455 110.7-120.3 -93.3 -1.8 -8.9 -8.0 12.4 36 -41 A G T <<5S+ 0 0 69 -3,-0.8 2,-0.3 -4,-0.8 -3,-0.2 0.763 75.0 121.1 65.5 29.5 -6.0 -7.0 10.0 37 -40 A K S - 0 0 69 -2,-0.3 3,-1.3 1,-0.1 4,-0.3 -0.580 31.2-127.2 -76.5 140.5 -9.5 -7.1 3.8 39 -38 A M G > S+ 0 0 35 1,-0.3 3,-1.5 -2,-0.2 -1,-0.1 0.845 107.9 58.7 -54.7 -39.6 -13.3 -6.4 4.0 40 -37 A D G 3 S+ 0 0 84 1,-0.3 -1,-0.3 3,-0.1 -11,-0.0 0.726 97.1 62.8 -67.7 -21.6 -14.0 -8.6 0.9 41 -36 A S G < S+ 0 0 70 -3,-1.3 2,-0.3 2,-0.0 -1,-0.3 0.532 96.8 70.5 -78.7 -9.2 -12.5 -11.6 2.7 42 -35 A L S < S- 0 0 10 -3,-1.5 2,-0.5 -4,-0.3 30,-0.2 -0.789 72.9-141.5-108.3 156.0 -15.1 -11.5 5.5 43 -34 A R E -C 71 0A 68 28,-2.0 28,-3.2 -2,-0.3 2,-0.5 -0.969 14.0-165.8-123.9 119.5 -18.9 -12.4 5.2 44 -33 A F E -C 70 0A 0 -2,-0.5 7,-3.1 7,-0.4 2,-0.4 -0.928 5.6-167.3-108.2 133.0 -21.4 -10.3 7.1 45 -32 A L E -CD 69 50A 23 24,-2.7 24,-2.4 -2,-0.5 2,-0.4 -0.902 11.7-173.6-120.3 142.8 -25.0 -11.4 7.5 46 -31 A Y E > S- D 0 49A 25 3,-2.5 3,-2.0 -2,-0.4 22,-0.1 -0.983 82.9 -11.6-130.9 126.9 -28.2 -9.6 8.7 47 -30 A D T 3 S- 0 0 127 20,-0.5 3,-0.1 -2,-0.4 -1,-0.1 0.865 129.4 -57.6 50.4 38.9 -31.3 -11.7 9.2 48 -29 A G T 3 S+ 0 0 59 1,-0.2 2,-0.4 21,-0.0 -1,-0.3 0.410 116.0 113.4 79.4 -1.5 -29.6 -14.6 7.5 49 -28 A I E < S-D 46 0A 118 -3,-2.0 -3,-2.5 1,-0.0 2,-0.2 -0.854 74.2-107.3-110.5 136.3 -29.0 -12.5 4.3 50 -27 A R E -D 45 0A 126 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.450 31.7-133.7 -63.8 125.1 -25.5 -11.5 3.0 51 -26 A I - 0 0 4 -7,-3.1 -7,-0.4 -2,-0.2 2,-0.4 -0.658 13.7-148.7 -78.2 131.0 -24.8 -7.7 3.5 52 -25 A Q > - 0 0 115 -2,-0.4 3,-2.0 1,-0.1 -28,-0.3 -0.836 19.7-123.6 -99.6 142.6 -23.4 -6.0 0.4 53 -24 A A T 3 S+ 0 0 12 -2,-0.4 -28,-2.1 1,-0.3 -27,-0.2 0.777 108.9 57.5 -55.9 -34.4 -21.0 -3.0 1.1 54 -23 A D T 3 S+ 0 0 119 -30,-0.2 -1,-0.3 -31,-0.2 2,-0.3 0.464 87.1 100.5 -80.6 -0.9 -23.1 -0.6 -0.9 55 -22 A Q < - 0 0 42 -3,-2.0 -31,-3.4 -32,-0.1 -30,-0.2 -0.646 61.5-146.9 -85.8 143.4 -26.3 -1.2 1.2 56 -21 A T > - 0 0 16 -2,-0.3 4,-1.5 -33,-0.3 5,-0.1 -0.661 26.8-112.2-103.0 157.8 -27.4 1.2 3.9 57 -20 A P H >>S+ 0 0 0 0, 0.0 5,-2.2 0, 0.0 4,-0.5 0.909 121.0 56.6 -53.9 -38.6 -29.2 0.5 7.2 58 -19 A E H >45S+ 0 0 118 -38,-2.5 3,-1.4 1,-0.2 -37,-0.1 0.933 102.9 54.8 -56.8 -45.8 -32.2 2.3 5.7 59 -18 A D H 345S+ 0 0 97 -39,-0.3 -1,-0.2 1,-0.3 -38,-0.1 0.871 114.0 40.9 -54.1 -38.4 -32.2 -0.2 2.7 60 -17 A L H 3<5S- 0 0 42 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.356 108.4-120.6 -99.2 6.4 -32.3 -3.1 5.1 61 -16 A D T <<5 + 0 0 133 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.847 50.3 174.5 56.7 37.4 -34.8 -1.7 7.6 62 -15 A M < - 0 0 10 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.2 -0.390 12.0-161.7 -72.4 153.2 -32.3 -2.0 10.4 63 -14 A E > - 0 0 135 1,-0.1 3,-2.2 -2,-0.1 -60,-0.1 -0.893 36.6 -62.7-131.6 162.0 -33.1 -0.6 13.9 64 -13 A D T 3 S+ 0 0 91 -2,-0.3 -59,-0.2 1,-0.3 -1,-0.1 -0.106 120.6 11.0 -39.2 127.1 -31.2 0.3 17.0 65 -12 A N T 3 S+ 0 0 97 -61,-3.2 -1,-0.3 1,-0.2 -60,-0.2 0.585 85.2 154.8 71.4 15.5 -29.4 -2.7 18.5 66 -11 A D E < -b 5 0A 34 -3,-2.2 -60,-2.8 -62,-0.5 2,-0.4 -0.362 41.2-120.2 -63.1 153.7 -29.9 -5.0 15.5 67 -10 A I E -b 6 0A 96 -62,-0.2 -20,-0.5 -60,-0.1 2,-0.4 -0.842 22.6-167.1-106.7 133.8 -27.4 -7.8 15.3 68 -9 A I E -b 7 0A 0 -62,-3.0 -60,-2.7 -2,-0.4 2,-0.6 -0.959 16.8-138.8-113.0 136.0 -25.0 -8.5 12.4 69 -8 A E E -bC 8 45A 94 -24,-2.4 -24,-2.7 -2,-0.4 2,-0.6 -0.875 12.5-157.8 -94.0 123.8 -23.0 -11.8 12.2 70 -7 A A E - C 0 44A 4 -62,-2.6 2,-0.7 -2,-0.6 -26,-0.2 -0.897 5.7-156.4-100.6 119.6 -19.4 -11.4 11.1 71 -6 A H E + C 0 43A 34 -28,-3.2 -28,-2.0 -2,-0.6 -62,-0.1 -0.875 23.3 165.4-101.7 113.1 -18.0 -14.6 9.6 72 -5 A R + 0 0 40 -2,-0.7 -1,-0.1 -63,-0.3 3,-0.1 0.471 46.5 100.8-102.3 -6.2 -14.3 -14.7 9.8 73 -4 A E S S- 0 0 26 1,-0.2 19,-0.2 -30,-0.1 20,-0.1 -0.090 85.5 -63.3 -74.8 175.2 -14.0 -18.5 9.1 74 -3 A Q > - 0 0 55 18,-0.5 3,-1.7 17,-0.4 -1,-0.2 -0.134 62.8 -88.9 -57.9 149.2 -13.0 -20.1 5.7 75 -2 A I T 3 S+ 0 0 176 1,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.401 116.5 45.1 -55.3 136.5 -15.3 -19.7 2.7 76 -1 A G T 3 S- 0 0 81 -3,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.253 116.3 -97.7 108.1 -9.8 -17.8 -22.5 2.8 77 0 A G < - 0 0 31 -3,-1.7 2,-0.3 -4,-0.1 -3,-0.1 -0.234 38.3-110.9 91.0-178.4 -18.6 -22.1 6.4 78 1 A S - 0 0 55 -5,-0.1 2,-0.4 -2,-0.1 14,-0.1 -0.850 10.6-133.8-143.3 175.0 -17.4 -24.0 9.5 79 2 A T - 0 0 105 -2,-0.3 2,-0.5 12,-0.1 12,-0.5 -0.983 16.0-132.6-134.6 144.2 -18.5 -26.3 12.2 80 3 A V - 0 0 72 -2,-0.4 2,-0.5 10,-0.1 10,-0.2 -0.906 25.2-149.0 -96.7 125.6 -17.9 -26.2 15.9 81 4 A V E -E 89 0B 48 8,-3.0 8,-2.1 -2,-0.5 2,-0.6 -0.841 7.2-159.8 -99.4 127.3 -16.7 -29.5 17.2 82 5 A T E -E 88 0B 76 -2,-0.5 6,-0.2 6,-0.2 5,-0.1 -0.962 20.6-153.7-103.4 120.6 -17.5 -30.7 20.8 83 6 A T > - 0 0 26 4,-2.8 3,-1.6 -2,-0.6 0, 0.0 -0.222 34.0 -87.0 -87.6 178.8 -15.0 -33.4 21.8 84 7 A E T 3 S+ 0 0 193 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.713 127.4 50.9 -52.4 -27.5 -15.3 -36.3 24.3 85 8 A S T 3 S- 0 0 41 2,-0.1 -1,-0.3 57,-0.0 3,-0.1 0.555 119.4-105.1 -91.3 -12.1 -14.2 -33.9 27.2 86 9 A G S < S+ 0 0 28 -3,-1.6 -2,-0.1 1,-0.4 2,-0.1 0.325 74.7 140.1 93.9 -2.2 -16.7 -31.1 26.4 87 10 A L - 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