==== 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 19-NOV-11 3UQB . 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 . 191 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 29.8 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 . 16 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 11.5 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 . 3 1.6 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 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 0 PARALLEL BRIDGES PER LADDER . 2 1 3 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 0 150 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.6 5.6 24.6 52.6 2 -77 A E + 0 0 81 1,-0.1 20,-0.1 3,-0.0 3,-0.0 0.877 360.0 31.7 -71.0 -40.6 4.7 25.3 49.0 3 -76 A T S S+ 0 0 78 18,-0.1 19,-3.1 19,-0.1 20,-0.3 0.775 115.2 54.4 -94.6 -28.2 8.2 25.4 47.4 4 -75 A H E -A 21 0A 68 17,-0.3 2,-0.3 18,-0.1 17,-0.3 -0.740 61.5-156.7-115.6 158.0 10.2 23.0 49.6 5 -74 A I E -A 20 0A 1 15,-3.2 15,-2.3 -2,-0.3 2,-0.5 -0.985 11.6-139.7-136.6 140.7 9.7 19.3 50.6 6 -73 A N E -A 19 0A 60 -2,-0.3 61,-3.3 13,-0.2 62,-0.5 -0.891 24.9-171.8 -99.3 124.6 10.9 17.2 53.5 7 -72 A L E -A 18 0A 0 11,-2.8 11,-2.7 -2,-0.5 2,-0.4 -0.956 17.2-136.8-122.2 143.7 12.0 13.7 52.6 8 -71 A K E -Ab 17 69A 33 60,-2.6 62,-2.9 -2,-0.4 2,-0.5 -0.837 14.9-160.7 -99.2 128.9 12.9 10.8 54.8 9 -70 A V E -Ab 16 70A 1 7,-3.5 7,-2.0 -2,-0.4 2,-0.4 -0.974 8.8-173.0-113.5 123.2 16.0 8.7 53.8 10 -69 A S E -Ab 15 71A 27 60,-2.1 62,-2.9 -2,-0.5 5,-0.2 -0.919 18.1-178.4-114.5 135.3 16.2 5.2 55.3 11 -68 A D - 0 0 10 3,-1.7 63,-0.2 -2,-0.4 4,-0.1 0.176 61.9 -95.6-114.1 17.0 19.2 2.9 55.0 12 -67 A G S S+ 0 0 47 2,-0.3 3,-0.1 61,-0.1 107,-0.1 0.261 120.6 54.6 85.5 -9.5 17.8 -0.1 56.9 13 -66 A S S S- 0 0 11 1,-0.5 2,-0.3 105,-0.1 106,-0.2 0.638 116.0 -1.5-120.2 -43.8 19.6 1.1 60.2 14 -65 A S - 0 0 30 104,-0.1 -3,-1.7 101,-0.0 -1,-0.5 -0.918 59.3-132.7-145.0 172.0 18.6 4.7 60.7 15 -64 A E E +A 10 0A 89 -2,-0.3 2,-0.3 103,-0.2 -5,-0.2 -0.985 21.3 173.1-130.1 135.5 16.4 7.5 59.2 16 -63 A I E -A 9 0A 33 -7,-2.0 -7,-3.5 -2,-0.4 2,-0.3 -0.921 22.8-127.4-135.8 165.7 17.3 11.1 58.6 17 -62 A F E -A 8 0A 111 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.871 12.1-162.4-119.4 149.2 15.4 13.9 56.8 18 -61 A F E -A 7 0A 28 -11,-2.7 -11,-2.8 -2,-0.3 2,-0.6 -0.998 5.5-157.5-133.2 126.5 16.3 16.3 54.0 19 -60 A K E +A 6 0A 138 -2,-0.4 2,-0.3 -13,-0.3 -13,-0.2 -0.942 28.1 158.2-103.0 116.8 14.4 19.5 53.1 20 -59 A I E -A 5 0A 21 -15,-2.3 -15,-3.2 -2,-0.6 2,-0.1 -0.918 48.3 -91.9-131.0 162.9 15.1 20.6 49.5 21 -58 A K E > -A 4 0A 79 -2,-0.3 3,-1.7 -17,-0.3 -17,-0.3 -0.469 37.9-120.4 -69.8 143.5 13.2 22.8 47.1 22 -57 A K T 3 S+ 0 0 64 -19,-3.1 38,-2.2 1,-0.3 39,-0.3 0.712 114.6 51.2 -60.1 -20.1 10.8 20.7 44.9 23 -56 A T T 3 S+ 0 0 64 -20,-0.3 -1,-0.3 36,-0.2 -19,-0.1 0.390 87.1 104.0 -95.5 -1.6 12.8 21.9 41.8 24 -55 A T S < S- 0 0 38 -3,-1.7 36,-0.1 1,-0.1 5,-0.1 -0.663 80.5-109.9 -82.2 133.2 16.2 20.9 43.2 25 -54 A P > - 0 0 52 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.371 21.4-121.1 -63.7 142.3 17.7 17.8 41.7 26 -53 A L T 3> S+ 0 0 0 31,-3.2 4,-3.0 28,-0.3 5,-0.2 0.645 103.2 84.8 -59.8 -13.8 17.9 14.9 44.1 27 -52 A R H 3> S+ 0 0 110 28,-2.0 4,-2.9 30,-0.2 -1,-0.3 0.892 85.6 55.7 -50.2 -42.4 21.7 14.9 43.5 28 -51 A R H <> S+ 0 0 160 -3,-2.0 4,-1.9 27,-0.2 -1,-0.2 0.912 111.6 42.6 -62.0 -41.0 21.9 17.6 46.3 29 -50 A L H > S+ 0 0 2 -4,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.894 113.8 50.6 -67.7 -47.7 20.1 15.2 48.7 30 -49 A M H X S+ 0 0 16 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.892 112.2 47.6 -60.5 -42.5 22.1 12.2 47.6 31 -48 A E H X S+ 0 0 50 -4,-2.9 4,-2.9 -5,-0.2 5,-0.3 0.920 110.6 50.8 -66.7 -41.8 25.4 14.0 48.1 32 -47 A A H X S+ 0 0 39 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.915 113.1 47.1 -58.7 -43.6 24.4 15.4 51.5 33 -46 A F H X S+ 0 0 3 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.947 113.2 47.5 -63.7 -50.2 23.5 11.8 52.6 34 -45 A A H X>S+ 0 0 2 -4,-2.7 5,-2.7 1,-0.2 4,-0.8 0.938 114.6 46.2 -56.9 -51.4 26.7 10.3 51.2 35 -44 A K H ><5S+ 0 0 155 -4,-2.9 3,-0.9 1,-0.2 -1,-0.2 0.909 108.6 54.8 -59.1 -45.1 28.9 13.0 52.9 36 -43 A R H 3<5S+ 0 0 165 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.897 115.0 41.0 -56.8 -38.6 27.1 12.7 56.2 37 -42 A Q H 3<5S- 0 0 67 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.503 111.2-119.3 -87.6 -6.2 27.8 9.0 56.1 38 -41 A G T <<5 + 0 0 74 -3,-0.9 2,-0.3 -4,-0.8 -3,-0.2 0.774 68.9 136.9 72.2 29.2 31.4 9.4 54.8 39 -40 A K < - 0 0 31 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.3 -0.781 58.4-112.3-112.7 148.1 30.5 7.3 51.7 40 -39 A E > - 0 0 67 -2,-0.3 3,-1.5 1,-0.1 4,-0.1 -0.586 23.4-128.5 -75.2 138.3 31.3 7.8 48.1 41 -38 A M G > S+ 0 0 55 -2,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.777 105.7 64.4 -53.4 -33.1 28.3 8.6 45.8 42 -37 A D G 3 S+ 0 0 106 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.691 99.0 53.9 -68.1 -18.6 29.3 5.8 43.4 43 -36 A S G < S+ 0 0 57 -3,-1.5 2,-0.4 33,-0.0 -1,-0.2 0.336 96.2 81.3 -99.9 5.5 28.6 3.2 46.1 44 -35 A L < - 0 0 10 -3,-1.3 2,-0.4 -4,-0.1 30,-0.2 -0.903 53.1-170.6-115.6 141.3 25.1 4.3 46.9 45 -34 A R E -C 73 0A 42 28,-1.8 28,-3.6 -2,-0.4 2,-0.4 -0.996 11.4-156.0-128.6 134.7 21.8 3.5 45.1 46 -33 A F E -C 72 0A 2 -2,-0.4 7,-2.7 7,-0.4 2,-0.4 -0.944 8.0-170.1-117.3 134.0 18.6 5.3 46.0 47 -32 A L E -CD 71 52A 45 24,-2.5 24,-3.2 -2,-0.4 2,-0.4 -0.936 8.2-172.5-124.4 144.6 15.0 4.0 45.4 48 -31 A Y E > S- D 0 51A 25 3,-2.2 3,-1.9 -2,-0.4 22,-0.1 -0.979 80.8 -12.9-135.3 125.0 11.6 5.7 45.7 49 -30 A D T 3 S- 0 0 128 20,-0.5 3,-0.1 -2,-0.4 21,-0.1 0.852 129.3 -57.2 50.5 37.3 8.4 3.6 45.3 50 -29 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 21,-0.0 -1,-0.3 0.506 113.9 116.6 77.7 5.5 10.6 0.8 44.0 51 -28 A I E < S-D 48 0A 117 -3,-1.9 -3,-2.2 0, 0.0 2,-0.3 -0.888 71.6-112.4-111.6 137.3 12.1 2.8 41.2 52 -27 A R E -D 47 0A 135 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.491 32.9-137.5 -68.0 126.2 15.7 3.7 40.8 53 -26 A I - 0 0 7 -7,-2.7 -7,-0.4 -2,-0.3 2,-0.3 -0.634 10.2-147.6 -84.8 142.7 16.3 7.5 41.3 54 -25 A Q > - 0 0 118 -2,-0.3 3,-1.8 1,-0.1 -28,-0.3 -0.859 21.7-120.0-109.9 150.8 18.6 9.4 39.0 55 -24 A A T 3 S+ 0 0 17 -2,-0.3 -28,-2.0 1,-0.3 -27,-0.2 0.733 109.4 55.1 -64.4 -25.6 20.6 12.3 40.3 56 -23 A D T 3 S+ 0 0 123 -30,-0.2 -1,-0.3 -31,-0.1 2,-0.2 0.477 86.7 100.6 -88.5 -1.2 19.1 14.8 37.8 57 -22 A Q < - 0 0 41 -3,-1.8 -31,-3.2 -32,-0.1 -30,-0.2 -0.606 61.4-146.6 -83.8 147.0 15.5 14.1 38.8 58 -21 A T > - 0 0 16 -33,-0.3 4,-1.6 -2,-0.2 5,-0.2 -0.674 27.6-109.8-108.9 160.0 13.6 16.4 41.1 59 -20 A P T 4>S+ 0 0 1 0, 0.0 5,-2.6 0, 0.0 4,-0.3 0.879 122.2 55.2 -53.9 -36.0 10.9 15.8 43.7 60 -19 A E T >45S+ 0 0 115 -38,-2.2 3,-1.6 1,-0.2 -37,-0.1 0.937 103.4 54.4 -60.3 -47.8 8.5 17.5 41.3 61 -18 A D T 345S+ 0 0 97 -39,-0.3 -1,-0.2 1,-0.3 -38,-0.1 0.845 113.8 41.9 -52.4 -40.8 9.5 15.1 38.5 62 -17 A L T 3<5S- 0 0 42 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.313 108.9-120.8 -96.2 5.8 8.7 12.1 40.7 63 -16 A D T < 5 + 0 0 134 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.872 49.2 177.4 60.4 40.5 5.4 13.5 42.3 64 -15 A M < - 0 0 13 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.2 -0.410 14.5-156.1 -79.5 153.8 6.9 13.3 45.7 65 -14 A E > - 0 0 139 -2,-0.1 3,-2.0 1,-0.1 -60,-0.1 -0.885 36.0 -72.4-126.2 159.3 5.1 14.5 48.8 66 -13 A D T 3 S+ 0 0 92 -2,-0.3 -59,-0.2 1,-0.2 -1,-0.1 -0.213 117.5 15.2 -54.2 134.4 6.2 15.6 52.2 67 -12 A N T 3 S+ 0 0 85 -61,-3.3 -1,-0.2 1,-0.3 -60,-0.2 0.432 86.3 150.9 79.7 4.8 7.5 12.7 54.5 68 -11 A D < - 0 0 40 -3,-2.0 -60,-2.6 -62,-0.5 2,-0.5 -0.312 45.3-118.1 -61.8 154.4 7.9 10.3 51.5 69 -10 A I E -b 8 0A 74 -62,-0.2 -20,-0.5 -60,-0.1 2,-0.5 -0.834 23.0-167.4-106.5 128.9 10.6 7.7 52.0 70 -9 A I E -b 9 0A 1 -62,-2.9 -60,-2.1 -2,-0.5 2,-0.5 -0.957 19.6-138.1-105.5 133.5 13.6 7.2 49.8 71 -8 A E E -bC 10 47A 99 -24,-3.2 -24,-2.5 -2,-0.5 2,-0.6 -0.806 9.7-156.1 -93.6 125.1 15.6 4.0 50.4 72 -7 A A E - C 0 46A 3 -62,-2.9 2,-0.6 -2,-0.5 -26,-0.2 -0.906 9.9-160.8 -98.9 116.3 19.4 4.3 50.4 73 -6 A H E + C 0 45A 37 -28,-3.6 -28,-1.8 -2,-0.6 -61,-0.1 -0.895 24.7 162.5-103.7 120.6 21.1 1.0 49.5 74 -5 A R + 0 0 56 -2,-0.6 -1,-0.1 -63,-0.2 3,-0.1 0.541 45.1 108.8-105.3 -15.3 24.8 0.5 50.4 75 -4 A E S S- 0 0 21 1,-0.1 20,-0.2 -30,-0.1 19,-0.2 -0.091 82.7 -74.7 -65.5 162.7 24.8 -3.3 50.1 76 -3 A Q > - 0 0 58 18,-2.1 3,-0.7 17,-0.3 2,-0.1 -0.142 55.0-102.2 -51.4 147.5 26.5 -5.2 47.4 77 -2 A I T 3 S+ 0 0 147 1,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.492 97.7 64.2 -70.9 144.5 24.9 -5.2 44.0 78 -1 A G T 3 S- 0 0 80 -2,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.127 112.4 -63.8 130.1 -18.9 22.9 -8.4 43.2 79 0 A G < - 0 0 64 -3,-0.7 2,-0.1 -4,-0.0 -3,-0.1 0.171 54.4-102.9 109.2 130.7 20.1 -8.4 45.8 80 1 A S - 0 0 65 -5,-0.1 2,-0.4 -2,-0.0 14,-0.1 -0.399 23.4-155.9 -79.5 159.0 20.3 -8.7 49.5 81 2 A T - 0 0 100 12,-0.2 2,-0.6 -2,-0.1 12,-0.5 -0.989 2.6-156.1-133.3 125.3 19.6 -11.7 51.6 82 3 A V E -E 92 0B 79 -2,-0.4 2,-0.4 10,-0.1 10,-0.2 -0.910 15.9-153.7-102.7 123.1 18.6 -11.5 55.3 83 4 A V E -E 91 0B 47 8,-3.3 8,-2.3 -2,-0.6 2,-0.6 -0.794 9.4-164.3 -98.9 128.1 19.4 -14.7 57.2 84 5 A T E -E 90 0B 77 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.981 18.8-155.2-107.6 117.6 17.5 -15.9 60.3 85 6 A T > - 0 0 25 4,-2.2 3,-1.6 -2,-0.6 0, 0.0 -0.221 35.3 -88.7 -81.5 179.4 19.4 -18.5 62.2 86 7 A E T 3 S+ 0 0 198 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.810 126.0 54.7 -58.0 -32.9 18.2 -21.3 64.5 87 8 A S T 3 S- 0 0 43 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.578 119.3-104.7 -79.9 -11.6 18.5 -18.9 67.5 88 9 A G S < S+ 0 0 29 -3,-1.6 -2,-0.1 1,-0.4 -1,-0.1 0.256 75.2 140.9 96.4 -8.9 16.4 -16.1 66.0 89 10 A L - 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