==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE, PROTEIN BINDING/INHIBITOR 29-DEC-11 3VAW . COMPND 2 MOLECULE: UBIQUITIN-LIKE PROTEIN SMT3, PEPTIDYL-PROLYL CIS- . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE, BURKHOLDERIA . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 185 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 29.7 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 . 19 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 8.1 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 1 0 0 0 1 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 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 . 1 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 -77 A E 0 0 128 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.5 -14.9 25.3 9.6 2 -76 A T + 0 0 99 18,-0.0 19,-2.6 19,-0.0 20,-0.3 0.506 360.0 72.0 -94.6 -6.2 -11.5 25.3 7.8 3 -75 A H E -A 20 0A 92 17,-0.2 2,-0.4 18,-0.1 17,-0.2 -0.762 60.8-162.1-113.5 155.5 -9.8 23.0 10.3 4 -74 A I E -A 19 0A 0 15,-2.8 15,-2.7 -2,-0.3 2,-0.4 -0.999 11.2-145.4-138.2 139.6 -10.2 19.4 11.0 5 -73 A N E -A 18 0A 35 -2,-0.4 56,-3.4 13,-0.2 57,-0.5 -0.883 19.1-165.8 -99.7 134.3 -9.3 17.1 13.9 6 -72 A L E -Ab 17 62A 0 11,-2.4 11,-2.4 -2,-0.4 2,-0.5 -0.981 13.6-139.2-123.9 136.3 -8.2 13.5 12.9 7 -71 A K E -Ab 16 63A 12 55,-2.7 57,-2.8 -2,-0.4 2,-0.5 -0.837 15.2-158.8 -95.8 124.1 -7.9 10.6 15.4 8 -70 A V E -Ab 15 64A 0 7,-3.0 7,-2.1 -2,-0.5 2,-0.5 -0.935 7.3-171.1-108.8 120.7 -4.9 8.4 14.8 9 -69 A S E +Ab 14 65A 53 55,-2.4 57,-2.3 -2,-0.5 5,-0.2 -0.962 14.2 172.6-114.1 126.8 -5.1 4.9 16.2 10 -68 A D - 0 0 19 3,-1.5 58,-0.3 -2,-0.5 4,-0.1 0.307 63.1 -93.4-115.7 6.0 -2.0 2.7 16.2 11 -67 A G S S+ 0 0 46 2,-0.4 3,-0.1 56,-0.1 -2,-0.0 0.271 120.0 58.5 92.5 -8.7 -3.3 -0.3 18.2 12 -66 A S S S- 0 0 15 1,-0.5 2,-0.3 96,-0.0 101,-0.1 0.717 115.2 -19.1-110.7 -48.4 -2.0 1.1 21.5 13 -65 A S - 0 0 18 -5,-0.1 -3,-1.5 96,-0.0 -1,-0.5 -0.856 59.5-107.1-150.3 179.2 -3.6 4.4 22.0 14 -64 A E E -A 9 0A 60 -2,-0.3 2,-0.4 99,-0.3 -5,-0.2 -0.989 29.3-179.9-122.3 132.6 -5.4 7.2 20.2 15 -63 A I E -A 8 0A 44 -7,-2.1 -7,-3.0 -2,-0.4 2,-0.3 -0.978 18.4-139.5-130.8 135.6 -3.8 10.6 19.6 16 -62 A F E -A 7 0A 119 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.760 11.4-164.9-103.6 149.9 -5.5 13.5 17.8 17 -61 A F E -A 6 0A 26 -11,-2.4 -11,-2.4 -2,-0.3 2,-0.5 -0.984 4.6-158.8-133.0 122.8 -4.1 15.9 15.2 18 -60 A K E +A 5 0A 149 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.885 25.5 155.6-103.8 127.6 -5.8 19.1 14.2 19 -59 A I E -A 4 0A 20 -15,-2.7 -15,-2.8 -2,-0.5 2,-0.1 -0.952 47.8 -89.6-146.9 158.4 -4.8 20.6 10.8 20 -58 A K E > -A 3 0A 21 -2,-0.3 3,-2.0 -17,-0.2 -17,-0.2 -0.457 40.5-118.1 -66.8 144.3 -6.1 22.9 8.2 21 -57 A K T 3 S+ 0 0 72 -19,-2.6 33,-2.2 1,-0.3 34,-0.3 0.707 116.1 49.3 -61.5 -17.1 -8.1 21.0 5.5 22 -56 A T T 3 S+ 0 0 93 -20,-0.3 -1,-0.3 31,-0.2 -19,-0.1 0.298 85.4 106.6-104.3 11.8 -5.5 22.2 2.9 23 -55 A T S < S- 0 0 39 -3,-2.0 31,-0.1 1,-0.1 2,-0.1 -0.733 80.9-108.4 -87.1 134.3 -2.4 21.2 4.9 24 -54 A P > - 0 0 45 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.371 20.3-123.1 -62.7 144.0 -0.7 18.2 3.5 25 -53 A L T >> S+ 0 0 0 26,-3.5 4,-2.6 23,-0.3 3,-0.5 0.704 102.4 86.7 -62.1 -17.3 -1.1 15.1 5.6 26 -52 A R H 3> S+ 0 0 114 23,-2.3 4,-2.9 25,-0.3 -1,-0.3 0.874 83.5 58.1 -43.2 -40.2 2.7 15.0 5.7 27 -51 A R H <> S+ 0 0 115 -3,-2.2 4,-1.8 22,-0.2 -1,-0.2 0.896 107.4 45.3 -63.9 -40.3 2.4 17.3 8.8 28 -50 A L H <> S+ 0 0 3 -3,-0.5 4,-2.5 -4,-0.4 -1,-0.2 0.912 114.7 48.5 -65.8 -46.0 0.3 14.8 10.6 29 -49 A M H X S+ 0 0 30 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.912 112.6 47.1 -62.4 -46.5 2.6 11.9 9.7 30 -48 A E H X S+ 0 0 89 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.899 112.6 49.6 -62.0 -41.6 5.7 13.7 10.7 31 -47 A A H X S+ 0 0 37 -4,-1.8 4,-1.3 -5,-0.3 -2,-0.2 0.912 114.5 45.3 -65.6 -41.1 4.2 14.8 14.0 32 -46 A F H X S+ 0 0 8 -4,-2.5 4,-0.8 1,-0.2 3,-0.3 0.938 113.6 48.6 -66.0 -46.9 3.1 11.3 14.7 33 -45 A A H >< S+ 0 0 52 -4,-3.0 3,-0.8 1,-0.2 -2,-0.2 0.863 105.7 58.0 -63.4 -38.0 6.4 9.8 13.7 34 -44 A K H 3< S+ 0 0 188 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.867 102.8 54.2 -62.3 -36.4 8.4 12.2 15.8 35 -43 A R H 3< 0 0 149 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.760 360.0 360.0 -62.0 -30.0 6.5 11.1 18.9 36 -42 A Q << 0 0 85 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.0 -0.932 360.0 360.0 108.0 360.0 7.5 7.5 18.2 37 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 38 -35 A L 0 0 95 0, 0.0 2,-0.5 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 150.3 5.3 4.0 8.9 39 -34 A R E -C 67 0A 68 28,-1.8 28,-3.3 30,-0.1 2,-0.5 -0.980 360.0-164.9-124.0 122.7 2.1 3.4 6.9 40 -33 A F E -C 66 0A 6 -2,-0.5 7,-2.9 7,-0.4 2,-0.4 -0.939 7.7-166.4-111.4 131.9 -1.1 5.4 7.5 41 -32 A L E -CD 65 46A 23 24,-2.6 24,-2.6 -2,-0.5 2,-0.4 -0.921 11.4-169.5-118.0 144.1 -4.5 4.2 6.2 42 -31 A Y E > S- D 0 45A 47 3,-2.6 3,-1.9 -2,-0.4 22,-0.1 -0.989 84.4 -16.3-135.0 119.0 -7.8 6.0 5.8 43 -30 A D T 3 S- 0 0 93 20,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.868 130.4 -55.4 45.2 42.7 -10.8 3.8 5.0 44 -29 A G T 3 S+ 0 0 55 1,-0.2 2,-0.4 21,-0.0 -1,-0.3 0.456 114.6 115.1 79.4 5.4 -8.3 1.1 4.1 45 -28 A I E < S-D 42 0A 120 -3,-1.9 -3,-2.6 1,-0.0 2,-0.3 -0.868 72.4-108.5-112.8 139.1 -6.4 3.2 1.5 46 -27 A R E -D 41 0A 136 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.486 30.6-133.9 -68.8 123.9 -2.8 4.3 1.9 47 -26 A I - 0 0 6 -7,-2.9 2,-0.4 -2,-0.3 -7,-0.4 -0.647 14.1-146.3 -75.8 131.6 -2.4 8.0 2.7 48 -25 A Q > - 0 0 113 -2,-0.4 3,-2.1 1,-0.1 -23,-0.3 -0.841 18.3-123.9 -98.5 142.6 0.3 9.8 0.7 49 -24 A A T 3 S+ 0 0 21 -2,-0.4 -23,-2.3 1,-0.3 -22,-0.2 0.776 108.7 55.8 -54.9 -34.2 2.2 12.6 2.4 50 -23 A D T 3 S+ 0 0 120 -25,-0.2 -1,-0.3 -26,-0.1 2,-0.3 0.451 88.3 99.7 -84.6 2.9 1.3 15.1 -0.3 51 -22 A Q < - 0 0 38 -3,-2.1 -26,-3.5 -27,-0.1 -25,-0.3 -0.632 61.2-147.4 -88.0 146.6 -2.5 14.5 0.0 52 -21 A T > - 0 0 18 -28,-0.3 4,-1.4 -2,-0.3 -30,-0.1 -0.659 27.5-110.5-107.2 164.2 -4.7 16.9 2.0 53 -20 A P T 4>S+ 0 0 1 0, 0.0 5,-2.3 0, 0.0 4,-0.3 0.875 121.3 55.5 -60.1 -35.1 -7.8 16.2 4.1 54 -19 A E T >45S+ 0 0 115 -33,-2.2 3,-1.3 1,-0.2 -32,-0.1 0.909 103.0 54.8 -59.0 -46.5 -9.7 18.1 1.4 55 -18 A D T 345S+ 0 0 95 -34,-0.3 -1,-0.2 1,-0.2 -33,-0.1 0.845 114.2 41.5 -53.6 -39.6 -8.4 15.7 -1.3 56 -17 A L T 3<5S- 0 0 43 -4,-1.4 -1,-0.2 -3,-0.1 -2,-0.2 0.351 108.2-121.6 -96.0 3.9 -9.7 12.7 0.7 57 -16 A D T < 5 + 0 0 137 -3,-1.3 -3,-0.2 -4,-0.3 2,-0.1 0.860 47.9 177.4 56.9 41.4 -13.0 14.2 1.7 58 -15 A M < - 0 0 10 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.420 14.9-153.2 -74.1 150.1 -12.2 13.8 5.4 59 -14 A E > - 0 0 139 -2,-0.1 3,-2.2 1,-0.1 -55,-0.1 -0.836 37.4 -69.9-120.7 161.8 -14.6 14.9 8.1 60 -13 A D T 3 S+ 0 0 93 -2,-0.3 -54,-0.2 1,-0.3 -1,-0.1 -0.196 117.9 9.0 -55.0 133.1 -13.9 16.0 11.7 61 -12 A N T 3 S+ 0 0 82 -56,-3.4 -1,-0.3 1,-0.2 -55,-0.2 0.569 84.8 156.3 68.1 15.9 -12.8 13.1 14.0 62 -11 A D E < -b 6 0A 36 -3,-2.2 -55,-2.7 -57,-0.5 2,-0.4 -0.317 43.1-114.9 -56.0 153.5 -12.4 10.6 11.2 63 -10 A I E -b 7 0A 110 -57,-0.2 -20,-0.5 -55,-0.1 2,-0.4 -0.823 25.0-166.4-103.0 135.7 -10.0 7.8 12.1 64 -9 A I E -b 8 0A 0 -57,-2.8 -55,-2.4 -2,-0.4 2,-0.6 -0.970 18.1-137.1-113.2 132.3 -6.6 7.1 10.5 65 -8 A E E -bC 9 41A 93 -24,-2.6 -24,-2.6 -2,-0.4 2,-0.6 -0.830 13.1-155.8 -91.9 121.5 -4.9 3.8 11.2 66 -7 A A E - C 0 40A 5 -57,-2.3 2,-0.8 -2,-0.6 -26,-0.2 -0.861 4.9-157.8 -96.0 123.0 -1.2 4.2 11.9 67 -6 A H E + C 0 39A 36 -28,-3.3 -28,-1.8 -2,-0.6 -57,-0.1 -0.881 23.2 164.7-104.1 105.1 0.7 1.0 11.1 68 -5 A R + 0 0 60 -2,-0.8 -1,-0.1 -58,-0.3 3,-0.1 0.491 45.6 105.3 -96.2 -3.6 4.0 0.9 13.0 69 -4 A E S S- 0 0 30 1,-0.2 20,-0.2 -30,-0.1 19,-0.1 -0.145 83.4 -66.2 -74.9 168.0 4.5 -2.9 12.4 70 -3 A Q > - 0 0 70 18,-2.2 3,-2.2 17,-0.3 -1,-0.2 -0.092 60.6 -93.0 -47.2 145.5 6.9 -4.6 10.0 71 -2 A I T 3 S+ 0 0 175 1,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 -0.423 118.0 42.8 -60.2 134.6 6.3 -4.2 6.3 72 -1 A G T 3 S- 0 0 83 -3,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.176 117.6 -99.1 108.7 -19.5 4.2 -7.2 5.3 73 0 A G < - 0 0 25 -3,-2.2 2,-0.2 15,-0.1 -3,-0.1 -0.187 33.2-107.6 98.0 176.5 2.0 -6.9 8.4 74 1 A S - 0 0 43 -5,-0.1 2,-0.3 -2,-0.1 14,-0.1 -0.767 14.6-136.2-137.0 173.1 1.6 -8.5 11.7 75 2 A T - 0 0 99 -2,-0.2 2,-0.6 12,-0.2 12,-0.5 -0.991 13.6-132.3-136.3 146.9 -0.6 -10.8 13.6 76 3 A I E -E 86 0B 97 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.910 26.8-154.1 -99.3 119.6 -2.1 -10.8 17.1 77 4 A V E -E 85 0B 47 8,-3.1 8,-2.0 -2,-0.6 2,-0.6 -0.801 6.5-159.0 -97.0 128.1 -1.5 -14.2 18.8 78 5 A T E -E 84 0B 94 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.947 18.8-156.8-104.4 119.2 -3.8 -15.4 21.6 79 6 A T > - 0 0 26 4,-2.7 3,-1.8 -2,-0.6 0, 0.0 -0.243 34.5 -90.8 -88.6 177.6 -2.1 -18.1 23.6 80 7 A E T 3 S+ 0 0 196 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.740 126.1 53.7 -59.6 -23.2 -3.5 -20.8 25.8 81 8 A S T 3 S- 0 0 40 2,-0.1 -1,-0.3 57,-0.0 3,-0.1 0.536 120.1-106.6 -84.9 -11.9 -3.5 -18.5 28.9 82 9 A G S < S+ 0 0 29 -3,-1.8 -2,-0.1 1,-0.3 2,-0.1 0.319 72.8 143.6 93.9 -5.5 -5.5 -15.8 27.1 83 10 A L - 0 0 1 73,-0.1 -4,-2.7 -5,-0.1 2,-0.4 -0.431 36.8-153.2 -61.4 139.0 -2.4 -13.6 26.7 84 11 A K E +EF 78 155B 86 71,-2.2 71,-2.7 -6,-0.2 2,-0.3 -0.949 17.4 174.2-110.7 139.7 -2.4 -11.6 23.4 85 12 A Y E -EF 77 154B 58 -8,-2.0 -8,-3.1 -2,-0.4 2,-0.4 -0.998 14.9-167.0-143.7 149.7 0.8 -10.5 21.8 86 13 A E E -EF 76 153B 15 67,-2.0 67,-2.9 -2,-0.3 2,-0.9 -0.986 18.6-140.3-136.1 121.3 1.8 -8.8 18.5 87 14 A D E + F 0 152B 31 -12,-0.5 -17,-0.3 -2,-0.4 65,-0.2 -0.760 23.9 173.2 -81.9 104.3 5.3 -8.5 17.2 88 15 A L E S+ 0 0 3 63,-1.9 -18,-2.2 -2,-0.9 2,-0.4 0.910 78.0 15.9 -73.5 -47.5 5.5 -5.0 15.7 89 16 A T E - F 0 151B 61 62,-2.0 62,-1.8 -20,-0.2 -1,-0.3 -0.993 68.5-154.0-128.4 135.2 9.3 -5.4 15.0 90 17 A E - 0 0 84 -2,-0.4 57,-0.5 60,-0.2 60,-0.3 0.844 23.1-168.5 -76.8 -38.1 11.1 -8.8 15.1 91 18 A G - 0 0 28 58,-0.4 2,-0.3 55,-0.1 58,-0.2 -0.216 22.0-101.2 66.1-168.8 14.6 -7.8 16.0 92 19 A S + 0 0 101 56,-2.1 2,-0.2 2,-0.1 56,-0.2 -0.980 64.8 64.8-157.6 136.7 17.5 -10.3 15.7 93 20 A G S S- 0 0 45 -2,-0.3 2,-0.2 54,-0.1 3,-0.1 -0.814 86.3 -28.5 140.0-179.1 19.4 -12.5 18.1 94 21 A A S S- 0 0 83 -2,-0.2 54,-0.3 1,-0.1 3,-0.1 -0.472 75.1-105.7 -66.5 135.3 19.0 -15.5 20.5 95 22 A E - 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