==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE, PROTEIN BINDING 09-AUG-12 4GIV . 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 . 376 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19135.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 30.3 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 . 3 0.8 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 . 33 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 9.0 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 1 1 0 0 1 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 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 0 0 PARALLEL BRIDGES PER LADDER . 4 3 4 3 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 1 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 -78 A P 0 0 172 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.2 -5.3 -19.4 81.2 2 -77 A E + 0 0 107 1,-0.2 20,-0.0 20,-0.0 0, 0.0 -0.683 360.0 175.7 -80.3 111.7 -5.4 -16.9 78.4 3 -76 A T + 0 0 70 -2,-0.7 19,-2.7 18,-0.1 20,-0.4 0.679 56.5 53.4 -91.6 -19.5 -2.0 -17.3 76.8 4 -75 A H E -A 21 0A 74 17,-0.3 2,-0.3 18,-0.1 17,-0.2 -0.644 63.2-156.6-118.8 166.7 -2.3 -15.0 73.9 5 -74 A I E -A 20 0A 2 15,-2.6 15,-1.9 -2,-0.2 2,-0.4 -0.995 11.9-137.6-145.6 145.4 -3.3 -11.3 73.5 6 -73 A N E -A 19 0A 55 -2,-0.3 61,-2.7 13,-0.2 62,-0.5 -0.899 25.6-176.2-101.6 135.6 -4.8 -9.2 70.7 7 -72 A L E -Ab 18 68A 0 11,-2.6 11,-2.0 -2,-0.4 2,-0.5 -0.988 15.9-142.7-133.0 136.8 -3.3 -5.7 70.3 8 -71 A K E -Ab 17 69A 49 60,-2.5 62,-2.9 -2,-0.4 2,-0.5 -0.848 9.4-158.6-100.4 137.7 -4.2 -2.9 67.9 9 -70 A V E -Ab 16 70A 0 7,-3.1 7,-1.5 -2,-0.5 2,-0.4 -0.952 9.1-172.7-109.2 124.1 -1.6 -0.7 66.4 10 -69 A S E +Ab 15 71A 28 60,-2.6 62,-2.9 -2,-0.5 5,-0.2 -0.953 19.7 179.4-115.3 134.0 -2.6 2.7 65.1 11 -68 A D - 0 0 16 3,-1.4 63,-0.2 -2,-0.4 4,-0.1 0.211 64.2 -97.0-107.2 10.3 -0.4 5.1 63.2 12 -67 A G S S+ 0 0 46 2,-0.4 3,-0.1 61,-0.1 107,-0.1 0.396 118.2 60.0 89.0 -2.0 -3.1 7.7 62.9 13 -66 A S S S- 0 0 12 1,-0.5 2,-0.3 105,-0.0 106,-0.2 0.625 115.6 -3.8-116.8 -40.2 -4.4 6.7 59.4 14 -65 A S - 0 0 23 104,-0.1 -3,-1.4 101,-0.0 -1,-0.5 -0.913 61.5-125.2-147.8 171.8 -5.4 3.1 60.0 15 -64 A E E -A 10 0A 114 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.941 19.4-174.7-122.4 146.0 -5.5 0.3 62.6 16 -63 A I E -A 9 0A 41 -7,-1.5 -7,-3.1 -2,-0.4 2,-0.4 -0.984 15.6-137.6-140.5 146.6 -4.1 -3.2 62.4 17 -62 A F E -A 8 0A 107 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.842 14.4-171.9-112.7 143.3 -4.4 -6.1 64.8 18 -61 A F E -A 7 0A 26 -11,-2.0 -11,-2.6 -2,-0.4 2,-0.5 -1.000 10.0-155.9-133.1 131.6 -1.8 -8.5 65.9 19 -60 A K E +A 6 0A 139 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.952 27.7 157.7-107.9 121.8 -2.3 -11.6 68.0 20 -59 A I E -A 5 0A 22 -15,-1.9 -15,-2.6 -2,-0.5 2,-0.1 -0.927 46.8 -92.0-136.8 161.0 0.8 -12.7 69.9 21 -58 A K E > -A 4 0A 85 -2,-0.3 3,-1.7 -17,-0.2 -17,-0.3 -0.420 37.0-121.9 -68.1 146.0 1.6 -14.8 72.9 22 -57 A K T 3 S+ 0 0 43 -19,-2.7 38,-2.2 1,-0.3 39,-0.3 0.711 113.1 54.8 -69.6 -16.5 1.9 -12.7 76.1 23 -56 A T T 3 S+ 0 0 72 -20,-0.4 -1,-0.3 36,-0.1 -19,-0.1 0.393 85.8 104.9 -90.1 -0.9 5.5 -14.0 76.6 24 -55 A T S < S- 0 0 37 -3,-1.7 36,-0.1 1,-0.1 5,-0.1 -0.675 78.5-113.9 -85.6 131.7 6.6 -12.9 73.1 25 -54 A P > - 0 0 51 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.376 23.4-119.8 -60.3 142.3 8.7 -9.8 72.9 26 -53 A L T >> S+ 0 0 1 31,-3.2 4,-3.2 28,-0.3 3,-0.7 0.664 102.7 85.1 -65.3 -16.9 7.0 -6.9 71.2 27 -52 A R H 3> S+ 0 0 110 28,-1.8 4,-3.0 1,-0.2 5,-0.3 0.896 85.1 58.2 -42.0 -47.7 9.8 -6.9 68.5 28 -51 A R H <> S+ 0 0 157 -3,-1.7 4,-1.6 27,-0.2 -1,-0.2 0.877 111.6 39.7 -55.5 -39.6 7.7 -9.6 66.7 29 -50 A L H <> S+ 0 0 2 -3,-0.7 4,-1.7 -4,-0.4 -2,-0.2 0.855 114.6 52.0 -80.9 -36.9 4.8 -7.2 66.5 30 -49 A M H X S+ 0 0 11 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.882 112.5 46.7 -63.0 -38.1 6.9 -4.1 65.7 31 -48 A E H X S+ 0 0 78 -4,-3.0 4,-2.3 -5,-0.2 5,-0.2 0.880 110.4 51.4 -71.6 -43.0 8.6 -6.1 62.8 32 -47 A A H X S+ 0 0 47 -4,-1.6 4,-0.9 -5,-0.3 -1,-0.2 0.868 113.7 46.7 -62.3 -33.5 5.3 -7.4 61.4 33 -46 A F H X S+ 0 0 2 -4,-1.7 4,-1.3 2,-0.2 3,-0.3 0.968 113.1 46.4 -73.8 -51.8 4.1 -3.8 61.5 34 -45 A A H ><>S+ 0 0 4 -4,-2.5 5,-2.9 1,-0.2 3,-0.6 0.918 112.0 49.8 -52.7 -51.9 7.2 -2.2 59.8 35 -44 A K H ><5S+ 0 0 80 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.814 109.1 54.2 -60.4 -31.4 7.4 -4.8 57.0 36 -43 A R H 3<5S+ 0 0 152 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.750 108.5 47.1 -77.5 -27.3 3.7 -4.3 56.3 37 -42 A Q T <<5S- 0 0 63 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.263 115.9-115.2 -90.4 7.4 4.1 -0.6 55.8 38 -41 A G T < 5S+ 0 0 77 -3,-0.8 2,-0.4 1,-0.2 -3,-0.2 0.885 75.0 134.8 58.2 42.1 7.1 -1.2 53.6 39 -40 A K < - 0 0 29 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.2 -0.956 62.8-115.2-133.4 135.8 9.2 0.6 56.3 40 -39 A E > - 0 0 70 -2,-0.4 3,-1.0 1,-0.1 4,-0.0 -0.432 28.5-126.9 -63.8 140.4 12.5 -0.1 58.1 41 -38 A M G > S+ 0 0 62 1,-0.2 3,-1.2 2,-0.1 -1,-0.1 0.786 105.4 70.1 -65.0 -24.7 11.9 -0.8 61.9 42 -37 A D G 3 S+ 0 0 97 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.868 93.2 55.0 -52.6 -42.6 14.5 2.0 62.6 43 -36 A S G < S+ 0 0 73 -3,-1.0 2,-0.4 2,-0.0 -1,-0.2 0.167 96.8 79.9 -86.3 16.4 12.1 4.8 61.4 44 -35 A L < - 0 0 9 -3,-1.2 2,-0.4 -5,-0.0 30,-0.2 -0.973 55.2-166.8-128.7 135.8 9.2 3.8 63.7 45 -34 A R E -C 73 0A 40 28,-1.8 28,-3.5 -2,-0.4 2,-0.4 -0.972 12.1-153.2-119.5 143.6 8.6 4.5 67.4 46 -33 A F E -C 72 0A 3 -2,-0.4 7,-3.0 7,-0.4 2,-0.4 -0.969 8.9-169.4-125.8 125.9 5.9 2.7 69.4 47 -32 A L E -CD 71 52A 39 24,-2.6 24,-2.7 -2,-0.4 2,-0.4 -0.902 7.9-173.2-115.6 145.0 4.1 4.0 72.5 48 -31 A Y E > S- D 0 51A 30 3,-2.2 3,-2.2 -2,-0.4 22,-0.1 -0.987 79.8 -15.0-132.5 123.7 1.9 2.2 75.0 49 -30 A D T 3 S- 0 0 136 20,-0.4 3,-0.1 -2,-0.4 21,-0.1 0.819 128.2 -55.3 59.1 28.7 0.1 4.3 77.6 50 -29 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 21,-0.0 -1,-0.3 0.424 116.7 111.7 88.0 -3.3 2.4 7.2 77.0 51 -28 A I E < S-D 48 0A 118 -3,-2.2 -3,-2.2 1,-0.0 -1,-0.2 -0.907 72.9-111.7-114.3 131.8 5.5 5.1 77.6 52 -27 A R E -D 47 0A 143 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.346 30.9-135.1 -64.3 130.2 8.1 4.1 74.9 53 -26 A I - 0 0 7 -7,-3.0 -7,-0.4 -2,-0.1 2,-0.3 -0.661 12.9-152.2 -90.3 142.1 8.1 0.4 74.1 54 -25 A Q > - 0 0 118 -2,-0.3 3,-1.5 4,-0.1 -28,-0.3 -0.798 24.1-118.4-110.7 157.7 11.4 -1.5 73.7 55 -24 A A T 3 S+ 0 0 18 -2,-0.3 -28,-1.8 1,-0.3 -27,-0.2 0.709 108.8 55.1 -76.2 -22.0 11.8 -4.5 71.6 56 -23 A D T 3 S+ 0 0 114 -30,-0.2 -1,-0.3 -31,-0.1 2,-0.2 0.448 85.7 102.0 -85.6 -0.0 12.7 -6.9 74.4 57 -22 A Q < - 0 0 44 -3,-1.5 -31,-3.2 -32,-0.1 -30,-0.2 -0.583 60.0-150.1 -86.0 144.0 9.6 -6.1 76.4 58 -21 A T > - 0 0 18 -33,-0.3 4,-1.4 -2,-0.2 -35,-0.1 -0.690 27.9-109.4-105.5 161.6 6.7 -8.6 76.4 59 -20 A P T 4>S+ 0 0 1 0, 0.0 5,-2.3 0, 0.0 3,-0.4 0.948 121.9 54.0 -57.3 -43.8 2.9 -7.8 76.9 60 -19 A E T >45S+ 0 0 114 -38,-2.2 3,-1.3 1,-0.2 -37,-0.1 0.879 102.4 55.0 -54.5 -44.9 3.1 -9.5 80.2 61 -18 A D T 345S+ 0 0 100 -39,-0.3 -1,-0.2 1,-0.2 -38,-0.1 0.849 113.7 43.7 -50.9 -39.9 6.0 -7.2 81.4 62 -17 A L T 3<5S- 0 0 41 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.283 111.5-118.4 -98.0 13.9 3.8 -4.2 80.6 63 -16 A D T < 5 - 0 0 137 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.906 49.3-177.9 50.4 42.4 0.6 -5.5 82.1 64 -15 A M < - 0 0 15 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.1 -0.389 12.5-152.9 -72.0 149.3 -1.1 -5.4 78.7 65 -14 A E > - 0 0 134 -2,-0.1 3,-1.9 1,-0.1 -60,-0.1 -0.893 34.9 -77.2-123.8 151.6 -4.7 -6.3 78.3 66 -13 A D T 3 S+ 0 0 68 -2,-0.3 -59,-0.2 1,-0.3 -1,-0.1 -0.190 116.3 14.3 -51.6 130.7 -6.5 -7.7 75.3 67 -12 A N T 3 S+ 0 0 74 -61,-2.7 -1,-0.3 1,-0.2 -60,-0.2 0.624 85.6 155.3 71.6 14.7 -7.3 -5.0 72.7 68 -11 A D E < -b 7 0A 34 -3,-1.9 -60,-2.5 -62,-0.5 2,-0.4 -0.383 41.1-120.0 -61.8 153.4 -5.0 -2.5 74.2 69 -10 A I E -b 8 0A 84 -62,-0.2 2,-0.4 -2,-0.1 -20,-0.4 -0.821 20.0-162.4-105.8 135.8 -3.8 0.1 71.7 70 -9 A I E -b 9 0A 1 -62,-2.9 -60,-2.6 -2,-0.4 2,-0.5 -0.980 17.4-136.5-111.3 133.3 -0.2 0.8 70.7 71 -8 A E E -bC 10 47A 99 -24,-2.7 -24,-2.6 -2,-0.4 2,-0.6 -0.778 10.8-156.1 -88.8 128.9 0.6 4.1 69.0 72 -7 A A E - C 0 46A 4 -62,-2.9 2,-0.6 -2,-0.5 -26,-0.2 -0.930 9.3-159.7-105.3 118.3 3.0 3.8 66.0 73 -6 A H E + C 0 45A 37 -28,-3.5 -28,-1.8 -2,-0.6 -62,-0.1 -0.871 23.8 162.6-103.5 116.2 4.8 7.2 65.4 74 -5 A R + 0 0 59 -2,-0.6 -1,-0.1 -63,-0.2 3,-0.1 0.572 46.4 99.2-103.5 -17.0 6.3 7.8 61.9 75 -4 A E S S- 0 0 21 1,-0.2 19,-0.2 20,-0.1 20,-0.1 -0.058 86.9 -65.7 -68.8 174.0 6.7 11.5 62.1 76 -3 A Q - 0 0 93 18,-0.9 3,-0.5 17,-0.4 -1,-0.2 -0.182 57.5 -98.7 -61.1 151.6 9.9 13.3 62.8 77 -2 A I S S+ 0 0 144 1,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.363 100.7 51.7 -67.5 148.5 11.5 13.0 66.2 78 -1 A G S S- 0 0 77 -3,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 0.596 117.4 -50.7 103.8 10.7 10.9 15.9 68.5 79 0 A G - 0 0 60 -3,-0.5 2,-0.1 -4,-0.1 -3,-0.1 0.575 53.3-112.3 93.1 121.8 7.1 16.2 68.5 80 1 A S - 0 0 63 -5,-0.1 2,-0.4 12,-0.0 14,-0.1 -0.441 19.5-153.7 -72.3 153.5 4.4 16.4 65.8 81 2 A T - 0 0 101 12,-0.2 2,-0.5 -2,-0.1 12,-0.5 -0.999 3.0-155.5-128.8 129.3 2.1 19.4 65.0 82 3 A V - 0 0 79 -2,-0.4 2,-0.4 10,-0.1 10,-0.2 -0.929 17.9-155.0-102.8 126.0 -1.3 19.2 63.4 83 4 A V E -E 91 0B 50 8,-2.8 8,-2.7 -2,-0.5 2,-0.5 -0.899 9.2-164.7-104.8 131.4 -2.1 22.4 61.6 84 5 A T E -E 90 0B 73 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.986 15.2-157.4-112.7 114.6 -5.7 23.6 61.0 85 6 A T > - 0 0 26 4,-2.1 3,-2.1 -2,-0.5 0, 0.0 -0.321 35.7 -91.1 -84.0 172.4 -5.9 26.4 58.5 86 7 A E T 3 S+ 0 0 192 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.782 123.8 60.1 -55.3 -34.8 -8.7 29.0 58.1 87 8 A S T 3 S- 0 0 42 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.580 120.2-106.6 -73.4 -5.9 -10.6 26.7 55.6 88 9 A G S < S+ 0 0 30 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.276 74.4 143.3 90.6 -7.3 -10.9 24.0 58.2 89 10 A L - 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