==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-FEB-12 4DZ3 . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 226 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 36.7 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 . 6 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 18 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 1 3 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 1 A S 0 0 110 0, 0.0 2,-0.2 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 159.2 46.1 39.7 -17.3 2 2 A T - 0 0 107 12,-0.1 12,-0.5 2,-0.0 2,-0.5 -0.640 360.0-127.8-105.4 161.5 43.0 41.3 -15.9 3 3 A V E -A 13 0A 82 -2,-0.2 2,-0.5 10,-0.1 10,-0.2 -0.944 20.1-157.2-109.1 131.5 40.3 39.9 -13.6 4 4 A V E -A 12 0A 53 8,-3.0 8,-2.1 -2,-0.5 2,-0.6 -0.937 3.2-161.6-110.5 131.4 36.7 40.4 -14.8 5 5 A T E -A 11 0A 77 -2,-0.5 6,-0.2 6,-0.2 5,-0.1 -0.960 17.5-152.2-112.1 117.8 33.8 40.3 -12.3 6 6 A T > - 0 0 22 4,-2.6 3,-1.8 -2,-0.6 0, 0.0 -0.274 32.2 -97.7 -86.3 171.8 30.4 39.6 -14.0 7 7 A E T 3 S+ 0 0 197 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.813 123.3 58.1 -56.0 -32.2 26.9 40.7 -13.0 8 8 A S T 3 S- 0 0 39 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.607 120.4-105.8 -73.8 -12.0 26.5 37.1 -11.4 9 9 A G S < S+ 0 0 31 -3,-1.8 -2,-0.1 1,-0.4 2,-0.1 0.303 74.9 141.3 96.1 -7.5 29.5 37.5 -9.0 10 10 A L - 0 0 0 73,-0.1 -4,-2.6 -5,-0.1 2,-0.4 -0.416 36.6-156.7 -64.0 141.1 31.7 35.2 -11.2 11 11 A K E +AB 5 82A 86 71,-2.2 71,-3.1 -6,-0.2 2,-0.3 -0.978 14.5 176.5-118.3 136.4 35.3 36.2 -11.5 12 12 A Y E -AB 4 81A 60 -8,-2.1 -8,-3.0 -2,-0.4 2,-0.4 -0.984 10.9-173.5-138.1 152.9 37.5 35.0 -14.4 13 13 A E E -AB 3 80A 35 67,-1.9 67,-3.0 -2,-0.3 2,-1.1 -0.970 24.4-133.3-146.4 126.0 41.0 35.7 -15.5 14 14 A D E - B 0 79A 55 -12,-0.5 65,-0.2 -2,-0.4 3,-0.2 -0.721 21.3-179.9 -82.0 99.8 42.7 34.5 -18.7 15 15 A L E S+ 0 0 59 63,-1.4 2,-0.3 -2,-1.1 -1,-0.2 0.851 82.3 11.5 -66.5 -38.0 46.1 33.1 -17.5 16 16 A T E S- B 0 78A 66 62,-2.1 62,-1.9 -3,-0.1 2,-0.4 -0.984 80.0-133.9-138.7 134.5 46.8 32.4 -21.2 17 17 A E - 0 0 91 -2,-0.3 2,-0.1 60,-0.2 56,-0.1 -0.729 29.0-124.2 -84.5 132.4 44.7 33.6 -24.2 18 18 A G - 0 0 12 -2,-0.4 58,-0.2 56,-0.1 57,-0.2 -0.377 9.8-152.8 -75.6 156.7 44.0 30.9 -26.8 19 19 A S S S+ 0 0 129 56,-1.0 57,-0.2 55,-0.1 -1,-0.1 0.518 71.6 69.7-103.0 -9.4 44.9 31.1 -30.5 20 20 A G S S- 0 0 34 55,-2.0 -2,-0.0 1,-0.2 92,-0.0 -0.038 96.4 -33.0 -96.3-161.1 42.2 28.8 -31.8 21 21 A A - 0 0 58 53,-0.2 54,-1.8 1,-0.1 2,-0.3 -0.147 64.6-108.9 -62.1 146.8 38.4 28.9 -32.2 22 22 A E B -G 74 0B 116 52,-0.2 2,-0.5 -3,-0.1 52,-0.2 -0.570 26.5-119.6 -80.8 136.8 36.2 30.8 -29.7 23 23 A A + 0 0 2 50,-3.6 49,-2.8 -2,-0.3 2,-0.3 -0.653 38.5 179.5 -76.0 121.2 34.0 28.8 -27.2 24 24 A R > - 0 0 45 -2,-0.5 3,-2.2 47,-0.2 33,-0.2 -0.944 38.9 -91.6-123.9 145.0 30.3 29.8 -27.8 25 25 A A T 3 S+ 0 0 57 -2,-0.3 33,-0.2 1,-0.2 3,-0.1 -0.257 114.2 39.9 -49.5 135.8 27.1 28.5 -26.0 26 26 A G T 3 S+ 0 0 61 31,-2.9 -1,-0.2 1,-0.4 32,-0.1 -0.136 90.2 109.5 109.7 -36.3 25.8 25.6 -28.1 27 27 A Q S < S- 0 0 63 -3,-2.2 30,-2.6 29,-0.1 2,-0.7 -0.368 71.3-125.6 -73.6 149.7 29.2 24.0 -28.9 28 28 A T E -C 56 0A 53 85,-0.4 2,-0.3 28,-0.2 28,-0.2 -0.905 39.4-166.1 -90.9 116.4 30.3 20.7 -27.3 29 29 A V E -C 55 0A 2 26,-2.8 26,-2.1 -2,-0.7 2,-0.4 -0.727 16.1-147.1-109.3 155.6 33.6 21.7 -25.8 30 30 A S E +CD 54 112A 17 82,-2.5 81,-2.7 -2,-0.3 82,-1.4 -0.986 27.0 167.5-122.9 129.3 36.5 19.6 -24.4 31 31 A V E -CD 53 110A 0 22,-2.5 22,-3.4 -2,-0.4 2,-0.4 -0.926 34.0-139.5-136.5 160.1 38.6 20.7 -21.4 32 32 A H E + D 0 109A 41 77,-2.0 77,-3.5 -2,-0.3 2,-0.3 -0.930 36.4 179.3-107.3 145.2 41.1 19.8 -18.9 33 33 A Y E - D 0 108A 29 -2,-0.4 13,-2.1 75,-0.2 14,-0.7 -0.978 26.6-158.9-144.8 157.2 40.5 21.3 -15.4 34 34 A T E -ED 45 107A 31 73,-1.9 73,-2.5 -2,-0.3 2,-0.4 -0.989 16.6-158.0-132.6 137.5 41.7 21.4 -11.9 35 35 A G E +ED 44 106A 0 9,-2.8 8,-2.3 -2,-0.4 9,-1.4 -0.951 12.7 176.1-120.1 135.2 39.5 22.4 -9.0 36 36 A W E -ED 42 105A 67 69,-3.2 69,-2.8 -2,-0.4 6,-0.2 -0.965 28.5-123.3-133.4 150.6 40.5 23.8 -5.6 37 37 A L E > - D 0 104A 31 4,-2.6 3,-2.0 -2,-0.3 67,-0.1 -0.460 45.5 -98.8 -77.2 164.6 38.9 25.1 -2.4 38 38 A T T 3 S+ 0 0 107 65,-0.7 66,-0.1 1,-0.3 -1,-0.1 0.649 123.9 61.9 -65.4 -15.5 40.0 28.7 -1.3 39 39 A D T 3 S- 0 0 123 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.219 122.7-104.7 -88.0 11.1 42.5 27.2 1.2 40 40 A G S < S+ 0 0 51 -3,-2.0 2,-0.5 1,-0.3 -2,-0.1 0.489 71.5 146.5 79.0 3.3 44.4 25.6 -1.8 41 41 A Q - 0 0 45 1,-0.0 -4,-2.6 2,-0.0 2,-0.4 -0.641 46.9-135.1 -73.1 120.7 43.1 22.0 -1.2 42 42 A K E +E 36 0A 104 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.666 26.6 177.9 -75.2 127.5 42.8 20.4 -4.6 43 43 A F E - 0 0 53 -8,-2.3 2,-0.3 -2,-0.4 -7,-0.2 0.692 62.1 -4.1-101.6 -25.6 39.5 18.4 -4.9 44 44 A D E -E 35 0A 54 -9,-1.4 -9,-2.8 53,-0.0 -1,-0.3 -0.986 48.8-175.4-162.8 153.4 39.7 17.2 -8.5 45 45 A S E > -E 34 0A 4 -2,-0.3 4,-0.8 -11,-0.2 3,-0.2 -0.897 20.1-154.4-152.8 130.5 41.6 17.2 -11.7 46 46 A S T 4>S+ 0 0 0 -13,-2.1 5,-2.4 -2,-0.3 4,-0.4 0.768 99.7 63.8 -67.3 -28.0 40.8 15.7 -15.1 47 47 A K T >45S+ 0 0 59 -14,-0.7 3,-0.8 1,-0.2 -1,-0.2 0.873 97.7 55.6 -63.2 -38.4 44.7 15.6 -15.8 48 48 A D T 345S+ 0 0 109 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.821 112.0 42.3 -62.5 -35.5 45.0 13.1 -12.8 49 49 A R T 3<5S- 0 0 113 -4,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.438 106.2-130.5 -86.8 -4.8 42.5 10.7 -14.5 50 50 A N T < 5S+ 0 0 140 -3,-0.8 -3,-0.2 -4,-0.4 -2,-0.1 0.888 70.1 125.0 53.0 42.7 44.1 11.3 -17.9 51 51 A D < - 0 0 61 -5,-2.4 -1,-0.1 175,-0.1 -2,-0.1 -0.848 56.8-142.6-141.3 96.2 40.5 12.0 -19.1 52 52 A P - 0 0 26 0, 0.0 2,-0.6 0, 0.0 -20,-0.2 -0.218 23.4-125.1 -55.7 149.1 39.4 15.2 -20.8 53 53 A F E -C 31 0A 71 -22,-3.4 -22,-2.5 173,-0.0 2,-0.4 -0.900 23.2-165.2-107.7 121.1 36.0 16.5 -19.9 54 54 A A E +C 30 0A 36 -2,-0.6 2,-0.3 -24,-0.2 -24,-0.2 -0.854 17.9 155.2-105.3 138.9 33.4 17.1 -22.6 55 55 A F E -C 29 0A 15 -26,-2.1 -26,-2.8 -2,-0.4 2,-0.7 -0.983 47.3-103.3-157.1 158.7 30.2 19.1 -22.1 56 56 A V E > -C 28 0A 76 -2,-0.3 3,-2.5 -28,-0.2 5,-0.4 -0.770 43.7-124.7 -86.0 114.2 27.7 21.2 -24.0 57 57 A L T 3 S+ 0 0 0 -30,-2.6 -31,-2.9 -2,-0.7 10,-0.1 -0.426 96.2 10.2 -65.9 123.5 28.5 24.9 -23.2 58 58 A G T 3 S+ 0 0 44 -2,-0.2 -1,-0.3 -33,-0.2 -33,-0.1 0.575 94.0 122.3 81.0 12.1 25.3 26.5 -21.9 59 59 A G S < S- 0 0 37 -3,-2.5 -2,-0.1 1,-0.0 -3,-0.0 0.439 76.7-121.4 -85.8 -1.1 23.6 23.1 -21.6 60 60 A G S S+ 0 0 55 -4,-0.2 4,-0.1 3,-0.1 -3,-0.1 0.772 83.0 110.8 67.1 27.6 22.9 23.2 -17.8 61 61 A H S S+ 0 0 180 -5,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.252 71.4 53.9-113.9 11.2 24.8 20.1 -16.9 62 62 A V S S- 0 0 29 -6,-0.1 5,-0.1 1,-0.1 -2,-0.0 -0.891 104.6 -74.5-133.3 162.9 27.6 21.8 -15.1 63 63 A I >> - 0 0 25 -2,-0.3 4,-1.6 1,-0.1 3,-1.5 -0.232 50.8-108.5 -56.1 149.1 27.5 24.3 -12.2 64 64 A K H 3> S+ 0 0 146 24,-0.3 4,-2.1 1,-0.3 5,-0.3 0.842 116.3 62.7 -54.7 -39.4 26.4 27.8 -13.3 65 65 A G H 3> S+ 0 0 0 22,-2.8 4,-2.4 1,-0.2 -1,-0.3 0.801 106.6 45.9 -55.2 -35.0 29.9 29.3 -13.0 66 66 A W H <> S+ 0 0 10 -3,-1.5 4,-2.3 21,-0.3 5,-0.3 0.914 108.8 51.8 -73.2 -49.1 31.2 26.9 -15.7 67 67 A D H < S+ 0 0 22 -4,-1.6 4,-0.3 1,-0.2 -2,-0.2 0.856 122.9 33.0 -56.5 -38.5 28.4 27.5 -18.2 68 68 A E H >< S+ 0 0 61 -4,-2.1 3,-0.7 2,-0.1 -2,-0.2 0.921 119.1 51.8 -77.5 -51.8 28.9 31.2 -17.9 69 69 A G H 3< S+ 0 0 1 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.703 103.6 53.2 -66.3 -30.0 32.7 31.2 -17.3 70 70 A V T >< S+ 0 0 0 -4,-2.3 3,-1.7 2,-0.1 -1,-0.2 0.716 83.3 104.2 -81.9 -21.7 33.9 29.0 -20.3 71 71 A Q T < S+ 0 0 85 -3,-0.7 -47,-0.2 -5,-0.3 3,-0.1 -0.387 83.3 24.9 -58.6 132.2 32.1 31.2 -22.8 72 72 A G T 3 S+ 0 0 27 -49,-2.8 -1,-0.2 1,-0.4 -48,-0.1 0.155 88.4 130.4 96.1 -18.6 34.6 33.4 -24.7 73 73 A M < - 0 0 3 -3,-1.7 -50,-3.6 -50,-0.1 -1,-0.4 -0.301 50.1-138.8 -57.6 151.8 37.7 31.1 -24.2 74 74 A K B > -G 22 0B 103 -52,-0.2 3,-2.5 -3,-0.1 36,-0.3 -0.893 32.7 -87.2-113.7 148.4 39.7 30.3 -27.2 75 75 A V T 3 S+ 0 0 34 -54,-1.8 -55,-2.0 -2,-0.4 -56,-1.0 -0.279 118.7 26.9 -56.6 134.1 41.2 26.9 -27.9 76 76 A G T 3 S+ 0 0 42 34,-3.0 -1,-0.3 1,-0.3 2,-0.1 0.254 97.4 127.6 91.6 -8.6 44.6 26.5 -26.2 77 77 A G < - 0 0 2 -3,-2.5 33,-2.1 33,-0.2 2,-0.5 -0.435 49.7-149.1 -82.4 153.7 43.6 29.1 -23.6 78 78 A V E -BF 16 109A 31 -62,-1.9 -62,-2.1 31,-0.2 -63,-1.4 -0.990 18.2-176.6-123.4 121.1 43.8 28.7 -19.8 79 79 A R E -BF 14 108A 10 29,-2.5 29,-3.0 -2,-0.5 2,-0.5 -0.958 17.4-145.5-121.7 132.9 41.2 30.5 -17.7 80 80 A R E -BF 13 107A 85 -67,-3.0 -67,-1.9 -2,-0.4 2,-0.4 -0.886 16.3-162.8 -98.2 125.9 40.9 30.7 -13.9 81 81 A L E -BF 12 106A 0 25,-2.9 25,-2.5 -2,-0.5 2,-0.6 -0.922 10.4-163.8-108.5 131.2 37.4 30.8 -12.6 82 82 A T E -BF 11 105A 47 -71,-3.1 -71,-2.2 -2,-0.4 23,-0.2 -0.971 19.5-167.3-113.5 112.0 36.5 32.0 -9.0 83 83 A I E - F 0 104A 0 21,-3.1 21,-2.5 -2,-0.6 -73,-0.1 -0.888 13.5-141.5-110.4 113.7 33.0 30.8 -8.5 84 84 A P > - 0 0 22 0, 0.0 3,-2.3 0, 0.0 -19,-0.2 -0.367 36.0-102.4 -68.5 159.2 30.9 32.0 -5.5 85 85 A P G > >S+ 0 0 27 0, 0.0 5,-2.7 0, 0.0 3,-1.6 0.759 118.6 64.1 -58.1 -30.6 28.7 29.2 -4.0 86 86 A Q G 3 5S+ 0 0 114 1,-0.3 -22,-0.1 3,-0.2 17,-0.1 0.652 110.3 40.5 -68.6 -14.8 25.5 30.4 -5.6 87 87 A L G < 5S+ 0 0 16 -3,-2.3 -22,-2.8 -23,-0.1 -21,-0.3 0.210 126.7 37.8-109.8 10.8 27.1 29.6 -9.0 88 88 A G T < 5S- 0 0 18 -3,-1.6 -24,-0.3 -4,-0.2 15,-0.1 0.192 128.7 -38.3-122.9-119.5 28.6 26.4 -7.6 89 89 A Y T >>5S- 0 0 97 13,-0.4 4,-2.0 1,-0.3 3,-1.0 0.257 71.7-159.3-104.5 8.6 27.1 23.9 -5.0 90 90 A G T 34< - 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