==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE, PROTEIN BINDING 07-AUG-12 4GGQ . 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 . 744 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39572.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 520 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 228 30.6 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 . 12 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 . 1 0.1 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 . 55 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.0 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 4 0 0 0 4 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 4 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 . 8 5 9 6 4 5 3 4 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 4 0 4 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 C E 0 0 117 0, 0.0 20,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 107.9 -41.8 -18.2 -11.8 2 -76 C T + 0 0 93 18,-0.1 19,-2.9 19,-0.1 20,-0.3 0.713 360.0 44.3 -87.8 -26.4 -41.7 -21.9 -11.0 3 -75 C H E -A 20 0A 79 17,-0.3 2,-0.3 18,-0.1 17,-0.2 -0.843 62.9-164.1-118.5 158.6 -39.2 -23.0 -13.6 4 -74 C I E -A 19 0A 4 15,-2.8 15,-2.4 -2,-0.3 2,-0.4 -0.963 18.7-123.6-138.6 163.1 -35.8 -21.7 -14.9 5 -73 C N E -A 18 0A 57 -2,-0.3 61,-2.6 13,-0.2 62,-0.5 -0.866 27.1-175.5-105.2 129.6 -33.5 -22.2 -17.8 6 -72 C L E -Ab 17 67A 0 11,-2.7 11,-2.7 -2,-0.4 2,-0.5 -0.990 15.6-144.6-127.4 136.4 -29.9 -23.2 -17.2 7 -71 C K E -Ab 16 68A 33 60,-2.3 62,-3.1 -2,-0.4 2,-0.5 -0.866 10.1-161.9 -99.4 127.7 -27.0 -23.5 -19.7 8 -70 C V E -Ab 15 69A 0 7,-3.2 7,-2.4 -2,-0.5 2,-0.4 -0.964 11.5-176.5-105.4 127.1 -24.5 -26.3 -19.2 9 -69 C S E -Ab 14 70A 20 60,-2.4 62,-2.6 -2,-0.5 5,-0.2 -0.992 24.4-174.5-120.0 135.0 -21.2 -25.9 -21.0 10 -68 C D - 0 0 49 3,-1.8 4,-0.1 -2,-0.4 63,-0.1 0.089 67.4 -93.5-102.0 22.4 -18.3 -28.3 -21.1 11 -67 C G S S+ 0 0 65 2,-0.4 3,-0.1 1,-0.1 107,-0.1 0.308 121.6 37.9 80.4 -9.1 -16.2 -25.8 -23.2 12 -66 C S S S+ 0 0 32 1,-0.5 2,-0.3 105,-0.1 -1,-0.1 0.536 110.6 48.5-130.0 -64.1 -17.4 -27.4 -26.4 13 -65 C S - 0 0 13 105,-0.1 -3,-1.8 2,-0.0 -1,-0.5 -0.616 62.6-163.2 -81.5 144.1 -21.0 -28.5 -26.2 14 -64 C E E +A 9 0A 112 -2,-0.3 2,-0.4 103,-0.2 -5,-0.2 -0.972 12.8 175.7-131.3 118.6 -23.7 -26.1 -24.9 15 -63 C I E -A 8 0A 34 -7,-2.4 -7,-3.2 -2,-0.4 2,-0.3 -0.967 18.5-142.2-126.9 137.0 -27.0 -27.6 -23.8 16 -62 C F E -A 7 0A 119 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.756 12.7-163.6-102.2 146.4 -30.0 -25.8 -22.2 17 -61 C F E -A 6 0A 28 -11,-2.7 -11,-2.7 -2,-0.3 2,-0.6 -0.998 11.3-156.2-129.7 131.1 -32.2 -27.2 -19.5 18 -60 C K E +A 5 0A 159 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.961 31.8 163.3-105.0 124.0 -35.6 -26.1 -18.3 19 -59 C I E -A 4 0A 14 -15,-2.4 -15,-2.8 -2,-0.6 2,-0.2 -0.951 43.0-102.3-142.5 147.8 -36.1 -27.3 -14.7 20 -58 C K E > -A 3 0A 103 -2,-0.3 3,-2.0 -17,-0.2 -17,-0.3 -0.510 34.0-124.0 -68.9 140.8 -38.4 -26.6 -11.7 21 -57 C K T 3 S+ 0 0 65 -19,-2.9 38,-2.3 1,-0.3 39,-0.3 0.760 111.5 49.0 -58.9 -22.2 -36.7 -24.4 -9.1 22 -56 C T T 3 S+ 0 0 77 -20,-0.3 -1,-0.3 36,-0.2 -19,-0.1 0.306 87.5 104.1-101.2 5.3 -37.4 -27.1 -6.5 23 -55 C T S < S- 0 0 44 -3,-2.0 36,-0.1 1,-0.1 -4,-0.0 -0.705 80.7-106.4 -86.6 138.6 -36.1 -30.1 -8.5 24 -54 C P > - 0 0 51 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.375 21.8-124.9 -62.9 144.6 -32.6 -31.5 -7.5 25 -53 C L T 3> S+ 0 0 0 31,-3.1 4,-2.8 28,-0.3 3,-0.3 0.629 99.0 88.4 -65.6 -15.5 -29.9 -30.7 -9.9 26 -52 C R H 3> S+ 0 0 107 28,-1.8 4,-2.9 1,-0.2 -1,-0.3 0.853 83.9 56.5 -42.6 -43.9 -29.2 -34.4 -10.2 27 -51 C R H <> S+ 0 0 52 -3,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.915 110.2 41.9 -63.8 -44.6 -31.8 -34.5 -13.0 28 -50 C L H > S+ 0 0 5 -4,-0.4 4,-2.6 -3,-0.3 -1,-0.2 0.903 115.6 50.5 -65.5 -42.6 -29.9 -31.9 -15.0 29 -49 C M H X S+ 0 0 7 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.924 113.1 44.7 -65.8 -45.5 -26.5 -33.5 -14.3 30 -48 C E H X S+ 0 0 100 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.869 112.7 51.9 -64.5 -39.7 -27.7 -37.0 -15.3 31 -47 C A H X S+ 0 0 37 -4,-2.0 4,-1.3 -5,-0.2 -2,-0.2 0.911 112.4 46.5 -64.1 -41.4 -29.4 -35.6 -18.4 32 -46 C F H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 3,-0.3 0.954 114.5 45.7 -65.3 -49.0 -26.2 -33.8 -19.4 33 -45 C A H <>S+ 0 0 1 -4,-2.5 5,-2.6 1,-0.2 3,-0.4 0.914 106.0 60.6 -60.6 -45.4 -24.0 -36.8 -18.7 34 -44 C K H ><5S+ 0 0 180 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.862 105.8 49.6 -47.2 -42.7 -26.4 -39.2 -20.6 35 -43 C R H 3<5S+ 0 0 156 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.870 108.8 48.3 -69.1 -38.9 -25.8 -37.1 -23.8 36 -42 C Q T 3<5S- 0 0 57 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.239 117.2-114.7 -86.8 11.3 -22.1 -37.1 -23.6 37 -41 C G T < 5S+ 0 0 72 -3,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.727 75.9 119.2 62.7 27.0 -22.3 -40.9 -23.1 38 -40 C K < - 0 0 78 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.761 68.7-102.8-121.7 166.2 -20.8 -40.7 -19.5 39 -39 C E > - 0 0 67 -2,-0.3 3,-1.9 1,-0.1 4,-0.2 -0.623 34.0-121.0 -82.2 144.3 -21.7 -41.5 -15.9 40 -38 C M G > S+ 0 0 52 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.838 112.6 59.2 -53.9 -38.1 -22.7 -38.4 -13.9 41 -37 C D G 3 S+ 0 0 89 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.606 92.4 67.2 -69.2 -14.4 -19.8 -39.2 -11.4 42 -36 C S G < S+ 0 0 42 -3,-1.9 32,-2.9 31,-0.1 2,-0.3 0.493 100.7 61.1 -81.6 -4.9 -17.2 -38.9 -14.3 43 -35 C L E < -C 73 0A 16 -3,-1.4 2,-0.4 30,-0.3 30,-0.2 -0.906 69.0-146.0-123.6 152.9 -18.0 -35.2 -14.5 44 -34 C R E -C 72 0A 17 28,-3.0 28,-2.9 -2,-0.3 2,-0.5 -0.979 14.2-156.4-115.7 128.3 -17.7 -32.2 -12.1 45 -33 C F E -C 71 0A 2 -2,-0.4 7,-3.5 7,-0.4 2,-0.4 -0.917 10.7-167.4-108.1 125.3 -20.4 -29.4 -12.4 46 -32 C L E -CD 70 51A 41 24,-3.1 24,-2.6 -2,-0.5 2,-0.4 -0.923 12.2-174.3-115.9 137.3 -19.5 -25.9 -11.1 47 -31 C Y E > S- D 0 50A 25 3,-2.5 3,-1.6 -2,-0.4 22,-0.1 -0.994 83.4 -10.5-126.6 121.2 -21.7 -22.9 -10.5 48 -30 C D T 3 S- 0 0 131 -2,-0.4 -1,-0.1 20,-0.4 3,-0.1 0.896 130.3 -56.8 56.9 39.8 -20.0 -19.7 -9.6 49 -29 C G T 3 S+ 0 0 61 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.457 117.2 110.9 75.2 1.5 -16.7 -21.6 -9.2 50 -28 C I E < S-D 47 0A 118 -3,-1.6 -3,-2.5 1,-0.0 -1,-0.2 -0.926 74.5-111.1-115.0 130.7 -18.2 -24.0 -6.6 51 -27 C R E -D 46 0A 169 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.3 -0.318 31.4-128.9 -58.5 132.1 -18.9 -27.7 -7.2 52 -26 C I - 0 0 6 -7,-3.5 2,-0.4 -27,-0.0 -7,-0.4 -0.645 13.9-143.8 -82.2 136.4 -22.6 -28.5 -7.4 53 -25 C Q > - 0 0 116 -2,-0.3 3,-2.1 1,-0.1 -28,-0.3 -0.866 19.2-124.1-103.6 142.1 -23.9 -31.4 -5.3 54 -24 C A T 3 S+ 0 0 15 -2,-0.4 -28,-1.8 1,-0.3 -27,-0.2 0.743 107.5 56.2 -63.7 -25.6 -26.6 -33.6 -6.8 55 -23 C D T 3 S+ 0 0 100 -30,-0.2 -1,-0.3 -31,-0.1 2,-0.2 0.596 86.9 101.5 -79.9 -10.8 -29.1 -33.1 -3.9 56 -22 C Q < - 0 0 40 -3,-2.1 -31,-3.1 -32,-0.1 -30,-0.2 -0.513 60.9-149.7 -75.9 143.6 -29.0 -29.3 -4.3 57 -21 C T > - 0 0 16 -33,-0.3 4,-1.6 -2,-0.2 -35,-0.1 -0.628 28.7-108.9-103.8 165.1 -31.8 -27.4 -6.1 58 -20 C P T 4>S+ 0 0 0 0, 0.0 5,-2.3 0, 0.0 3,-0.3 0.932 123.6 54.0 -57.9 -40.4 -31.7 -24.2 -8.1 59 -19 C E T >45S+ 0 0 115 -38,-2.3 3,-1.7 1,-0.2 -37,-0.1 0.933 104.3 54.6 -57.3 -49.9 -33.6 -22.6 -5.2 60 -18 C D T 345S+ 0 0 93 -39,-0.3 -1,-0.2 1,-0.3 -38,-0.1 0.852 115.0 39.8 -48.9 -42.4 -30.9 -23.8 -2.7 61 -17 C L T 3<5S- 0 0 45 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.287 109.5-120.6 -96.8 7.9 -28.2 -22.1 -4.8 62 -16 C D T < 5 + 0 0 134 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.845 48.4 177.4 55.1 40.1 -30.1 -19.0 -5.6 63 -15 C M < - 0 0 12 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.377 12.8-153.3 -75.7 148.1 -29.9 -19.6 -9.4 64 -14 C E > - 0 0 135 1,-0.1 3,-2.2 -2,-0.1 -60,-0.1 -0.830 34.9 -69.9-119.7 163.9 -31.5 -17.3 -11.8 65 -13 C D T 3 S+ 0 0 84 -2,-0.3 -59,-0.2 1,-0.3 -1,-0.1 -0.230 119.3 14.4 -54.0 135.5 -32.9 -17.7 -15.3 66 -12 C N T 3 S+ 0 0 89 -61,-2.6 -1,-0.3 1,-0.2 -60,-0.2 0.504 86.0 153.4 67.8 15.6 -30.0 -18.2 -17.8 67 -11 C D E < -b 6 0A 34 -3,-2.2 -60,-2.3 -62,-0.5 2,-0.4 -0.276 39.0-125.4 -65.2 157.4 -27.4 -18.9 -15.3 68 -10 C I E -b 7 0A 85 -62,-0.2 -20,-0.4 -60,-0.0 2,-0.4 -0.889 17.6-163.2-117.3 138.9 -24.5 -21.1 -16.5 69 -9 C I E -b 8 0A 0 -62,-3.1 -60,-2.4 -2,-0.4 2,-0.5 -0.963 15.4-143.0-118.6 131.2 -23.1 -24.3 -15.1 70 -8 C E E -bC 9 46A 103 -24,-2.6 -24,-3.1 -2,-0.4 2,-0.5 -0.872 8.0-154.3 -97.0 130.5 -19.6 -25.5 -16.2 71 -7 C A E - C 0 45A 6 -62,-2.6 2,-0.3 -2,-0.5 -26,-0.2 -0.924 15.3-179.8-106.2 124.5 -19.0 -29.2 -16.7 72 -6 C H E - C 0 44A 83 -28,-2.9 -28,-3.0 -2,-0.5 2,-0.2 -0.901 34.9-105.3-120.4 146.0 -15.3 -30.5 -16.3 73 -5 C R E - C 0 43A 61 -2,-0.3 2,-0.4 -30,-0.2 -30,-0.3 -0.562 39.7-113.8 -70.0 131.0 -14.0 -34.1 -16.7 74 -4 C E + 0 0 57 -32,-2.9 2,-0.2 -2,-0.2 -1,-0.1 -0.571 43.4 170.3 -63.0 120.2 -13.3 -35.6 -13.2 75 -3 C Q > - 0 0 57 -2,-0.4 3,-1.2 1,-0.2 4,-0.1 -0.681 12.5-169.9-133.9 85.4 -9.5 -36.1 -13.2 76 -2 C I T 3 S+ 0 0 111 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 0.888 82.1 44.4 -47.5 -66.8 -8.7 -37.0 -9.6 77 -1 C G T 3 S- 0 0 83 1,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.808 116.9-111.8 -45.8 -31.2 -4.9 -36.8 -9.7 78 0 C G < - 0 0 56 -3,-1.2 2,-0.2 2,-0.0 -2,-0.1 0.076 35.0-125.3 94.3 139.7 -5.1 -33.5 -11.6 79 1 C S - 0 0 63 -2,-0.1 2,-0.4 -4,-0.1 14,-0.1 -0.554 7.4-137.4-110.9 176.3 -3.9 -33.5 -15.2 80 2 C T - 0 0 99 12,-0.2 2,-0.6 -2,-0.2 12,-0.5 -0.997 8.5-146.7-138.2 130.4 -1.5 -31.5 -17.4 81 3 C V E -E 91 0B 77 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.912 20.5-151.5 -94.0 124.9 -2.1 -30.3 -20.9 82 4 C V E -E 90 0B 47 8,-3.2 8,-2.3 -2,-0.6 2,-0.5 -0.791 8.4-163.0 -98.5 132.9 1.1 -30.4 -22.8 83 5 C T E -E 89 0B 78 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.976 13.0-159.1-116.4 118.3 1.8 -28.0 -25.7 84 6 C T > - 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