==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 28-JAN-11 2Y78 . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR I.H.NORVILLE,K.O'SHEA,M.SARKAR-TYSON,N.J.HARMER . 122 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 70.5 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 . 41 33.6 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 . 3 2.5 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 . 10 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.5 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 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 . 2 1 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 -8 A S 0 0 173 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-154.7 -0.4 -24.1 -17.5 2 -7 A G - 0 0 46 2,-0.1 4,-0.2 1,-0.1 0, 0.0 -0.117 360.0-105.4 102.5 158.5 1.1 -27.4 -16.6 3 -6 A L S > S+ 0 0 123 2,-0.1 3,-2.2 1,-0.1 4,-0.2 0.953 106.2 55.3 -87.3 -57.7 2.9 -28.9 -13.7 4 -5 A V G > S+ 0 0 126 1,-0.3 3,-1.9 2,-0.2 6,-0.1 0.849 99.4 62.6 -54.2 -39.2 6.6 -29.1 -14.6 5 -4 A P G 3 S+ 0 0 63 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.679 89.0 71.9 -62.3 -17.0 6.9 -25.4 -15.5 6 -3 A R G < >S- 0 0 127 -3,-2.2 6,-2.7 1,-0.2 5,-0.5 0.449 104.7-123.7 -80.2 1.7 6.1 -24.5 -11.9 7 -2 A G T X 5 - 0 0 26 -3,-1.9 3,-1.3 3,-0.2 -1,-0.2 -0.047 35.8 -51.6 90.1 174.7 9.5 -25.7 -10.8 8 -1 A S T 3 5S+ 0 0 113 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.711 138.8 28.9 -64.0 -25.6 11.0 -28.1 -8.3 9 0 A H T 3 5S- 0 0 145 -3,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.135 111.1-108.8-119.4 11.8 8.9 -26.7 -5.4 10 1 A M T < 5S+ 0 0 66 -3,-1.3 -3,-0.2 -6,-0.1 -2,-0.1 0.787 92.1 110.3 64.5 29.4 5.8 -25.4 -7.3 11 2 A T < + 0 0 66 -5,-0.5 2,-0.5 2,-0.0 12,-0.4 0.337 38.4 107.1-117.3 1.6 6.9 -21.8 -6.7 12 3 A V - 0 0 32 -6,-2.7 2,-0.5 10,-0.1 10,-0.2 -0.771 53.5-157.7 -87.3 125.4 8.0 -20.6 -10.1 13 4 A V E -A 21 0A 59 8,-3.0 8,-2.2 -2,-0.5 2,-0.5 -0.874 4.3-162.9-101.6 132.5 5.6 -18.2 -11.7 14 5 A T E -A 20 0A 71 -2,-0.5 6,-0.2 6,-0.2 2,-0.1 -0.971 11.4-155.0-112.3 127.4 5.4 -17.7 -15.4 15 6 A T > - 0 0 31 4,-2.7 3,-1.8 -2,-0.5 0, 0.0 -0.430 34.3 -97.1 -94.6 173.1 3.7 -14.6 -16.7 16 7 A E T 3 S+ 0 0 203 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.797 123.6 56.4 -58.8 -28.9 2.0 -13.9 -20.0 17 8 A S T 3 S- 0 0 51 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.571 120.5-106.3 -78.6 -13.0 5.2 -12.2 -21.3 18 9 A G S < S+ 0 0 34 -3,-1.8 -2,-0.1 1,-0.4 2,-0.1 0.317 73.0 142.3 96.5 -5.2 7.4 -15.2 -20.5 19 10 A L - 0 0 0 73,-0.1 -4,-2.7 -5,-0.1 -1,-0.4 -0.415 34.8-158.5 -56.8 141.7 9.0 -13.7 -17.5 20 11 A K E +AB 14 91A 91 71,-2.0 71,-3.0 -6,-0.2 2,-0.3 -0.961 15.4 171.0-119.8 146.1 9.6 -16.2 -14.7 21 12 A Y E -AB 13 90A 52 -8,-2.2 -8,-3.0 -2,-0.4 2,-0.3 -0.987 17.9-162.4-147.9 163.9 10.0 -15.3 -11.1 22 13 A E E - B 0 89A 60 67,-1.9 67,-3.0 -2,-0.3 2,-0.8 -0.984 22.5-130.8-145.5 128.7 10.2 -17.0 -7.7 23 14 A D E + B 0 88A 70 -12,-0.4 65,-0.2 -2,-0.3 3,-0.2 -0.741 23.5 178.6 -81.1 109.9 9.8 -15.3 -4.3 24 15 A L E S+ 0 0 72 63,-2.0 2,-0.4 -2,-0.8 64,-0.2 0.862 79.3 12.0 -76.2 -41.0 12.8 -16.4 -2.2 25 16 A T E S- B 0 87A 76 62,-2.0 62,-2.0 -3,-0.1 2,-0.5 -0.993 77.6-137.5-134.9 133.1 11.6 -14.3 0.8 26 17 A E - 0 0 147 -2,-0.4 56,-0.1 60,-0.2 58,-0.1 -0.774 27.9-126.6 -89.0 124.6 8.1 -12.7 1.0 27 18 A G - 0 0 6 -2,-0.5 58,-0.2 56,-0.2 57,-0.2 -0.345 9.3-152.0 -71.4 157.2 8.3 -9.2 2.3 28 19 A S S S+ 0 0 126 56,-0.8 57,-0.2 55,-0.1 -1,-0.1 0.477 71.1 73.6 -98.8 -11.7 6.4 -8.0 5.3 29 20 A G S S- 0 0 32 55,-2.5 92,-0.0 1,-0.2 56,-0.0 0.076 93.1 -36.6 -94.0-157.4 6.2 -4.4 4.3 30 21 A A - 0 0 57 53,-0.2 54,-2.2 1,-0.1 2,-0.3 -0.253 62.9-107.0 -69.1 153.5 4.4 -2.3 1.7 31 22 A E B -G 83 0B 78 52,-0.2 2,-0.4 -3,-0.1 52,-0.3 -0.568 25.5-120.2 -84.1 138.5 3.7 -3.5 -1.8 32 23 A A + 0 0 1 50,-3.2 49,-2.4 -2,-0.3 2,-0.3 -0.638 39.2 178.2 -76.8 126.9 5.6 -2.2 -4.9 33 24 A R > - 0 0 143 -2,-0.4 3,-2.0 47,-0.2 33,-0.2 -0.952 37.5 -86.5-132.4 147.3 3.1 -0.7 -7.4 34 25 A A T 3 S+ 0 0 64 -2,-0.3 33,-0.2 1,-0.2 3,-0.1 -0.223 112.4 32.7 -54.0 136.6 3.6 1.0 -10.7 35 26 A G T 3 S+ 0 0 56 31,-3.0 -1,-0.2 1,-0.4 2,-0.2 0.041 90.2 114.3 101.5 -21.6 4.4 4.7 -10.3 36 27 A Q S < S- 0 0 44 -3,-2.0 30,-3.0 30,-0.1 2,-0.9 -0.526 70.9-124.0 -75.1 147.2 6.3 4.5 -7.1 37 28 A T E -C 65 0A 79 28,-0.3 28,-0.2 -2,-0.2 2,-0.2 -0.821 41.7-170.3 -84.8 105.7 10.0 5.3 -6.9 38 29 A V E -C 64 0A 0 26,-2.4 26,-2.1 -2,-0.9 2,-0.4 -0.660 14.7-145.3 -97.4 157.0 11.2 2.0 -5.4 39 30 A S E +CD 63 121A 21 82,-2.2 81,-2.9 -2,-0.2 82,-1.2 -0.989 24.0 172.2-126.3 134.0 14.7 1.3 -4.1 40 31 A V E -CD 62 119A 0 22,-2.5 22,-2.7 -2,-0.4 2,-0.4 -0.926 30.5-141.4-134.1 157.6 16.3 -2.1 -4.5 41 32 A H E + D 0 118A 23 77,-2.0 77,-3.1 -2,-0.3 2,-0.3 -0.947 39.4 166.0-108.8 146.0 19.5 -4.0 -4.0 42 33 A Y E - D 0 117A 17 -2,-0.4 13,-1.8 75,-0.2 14,-0.9 -0.994 32.1-156.9-153.7 160.8 20.3 -6.5 -6.7 43 34 A T E -ED 54 116A 24 73,-1.7 73,-2.2 -2,-0.3 2,-0.4 -0.988 16.1-158.3-134.8 142.0 22.7 -8.8 -8.4 44 35 A G E -ED 53 115A 0 9,-2.8 8,-2.7 -2,-0.3 9,-1.2 -0.975 10.9-179.5-121.5 140.4 22.5 -10.0 -12.0 45 36 A W E -ED 51 114A 64 69,-2.8 69,-2.7 -2,-0.4 6,-0.2 -0.962 26.3-122.8-131.4 148.6 24.1 -13.1 -13.6 46 37 A L E > - D 0 113A 18 4,-2.6 3,-2.0 -2,-0.3 67,-0.1 -0.369 44.5 -98.3 -73.9 169.8 24.2 -14.7 -17.0 47 38 A T T 3 S+ 0 0 110 65,-0.5 -1,-0.1 1,-0.3 66,-0.1 0.569 124.0 63.1 -75.9 -5.5 23.1 -18.3 -17.2 48 39 A D T 3 S- 0 0 127 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.310 123.3-104.3 -89.4 2.5 26.7 -19.5 -17.0 49 40 A G S < S+ 0 0 50 -3,-2.0 2,-0.5 1,-0.3 -2,-0.1 0.360 72.4 146.1 91.3 -3.9 26.9 -17.9 -13.5 50 41 A Q - 0 0 118 -5,-0.1 -4,-2.6 1,-0.1 -1,-0.3 -0.551 46.1-134.1 -74.0 120.7 28.9 -14.9 -14.6 51 42 A K E +E 45 0A 92 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.509 28.6 172.9 -68.2 135.6 28.0 -11.8 -12.5 52 43 A F E + 0 0 35 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.536 61.3 7.5-121.0 -14.7 27.5 -8.7 -14.7 53 44 A D E +E 44 0A 55 -9,-1.2 -9,-2.8 0, 0.0 -1,-0.4 -0.946 54.7 174.0-165.2 147.8 26.1 -6.1 -12.3 54 45 A S E > -E 43 0A 6 -2,-0.3 4,-0.8 -11,-0.2 -11,-0.2 -0.822 23.3-163.3-160.7 122.3 25.5 -5.6 -8.6 55 46 A S T 4>S+ 0 0 0 -13,-1.8 5,-1.8 -2,-0.3 4,-0.3 0.792 96.3 64.1 -69.6 -30.2 24.3 -2.7 -6.5 56 47 A K T >45S+ 0 0 106 -14,-0.9 3,-1.0 1,-0.2 -1,-0.2 0.893 98.7 52.0 -58.7 -43.5 25.6 -4.5 -3.5 57 48 A D T 345S+ 0 0 108 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.2 0.774 111.3 47.1 -68.3 -25.9 29.2 -4.3 -4.8 58 49 A R T 3<5S- 0 0 126 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.392 105.2-134.4 -84.8 -7.6 28.8 -0.5 -5.2 59 50 A N T < 5S+ 0 0 138 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.868 70.9 107.6 49.1 46.8 27.3 -0.3 -1.7 60 51 A D < - 0 0 100 -5,-1.8 -2,-0.2 2,-0.0 -1,-0.1 -0.922 67.5-127.5-151.7 119.6 24.5 1.9 -3.0 61 52 A P - 0 0 54 0, 0.0 2,-0.5 0, 0.0 -20,-0.2 -0.255 23.9-124.4 -61.5 159.1 20.9 1.0 -3.6 62 53 A F E -C 40 0A 64 -22,-2.7 -22,-2.5 2,-0.0 2,-0.4 -0.925 22.3-164.4-113.2 125.9 19.2 1.7 -6.9 63 54 A A E +C 39 0A 59 -2,-0.5 2,-0.3 -24,-0.2 -24,-0.2 -0.893 17.4 156.0-112.6 136.2 16.1 3.8 -7.1 64 55 A F E -C 38 0A 10 -26,-2.1 -26,-2.4 -2,-0.4 2,-0.8 -0.992 49.2 -97.0-154.4 158.0 13.7 3.9 -10.1 65 56 A V E > -C 37 0A 62 -2,-0.3 3,-2.3 -28,-0.2 5,-0.5 -0.661 47.7-128.4 -78.8 108.9 10.1 4.7 -11.1 66 57 A L T 3 S+ 0 0 1 -30,-3.0 -31,-3.0 -2,-0.8 -30,-0.1 -0.384 91.0 9.6 -65.2 129.8 8.5 1.3 -11.2 67 58 A G T 3 S+ 0 0 40 -33,-0.2 -1,-0.3 -2,-0.2 -33,-0.1 0.470 97.7 116.3 81.8 1.0 6.7 0.8 -14.5 68 59 A G S < S- 0 0 41 -3,-2.3 -2,-0.1 1,-0.0 -3,-0.1 0.370 85.0-113.2 -88.1 2.8 8.2 4.0 -15.9 69 60 A G S S+ 0 0 57 -4,-0.2 -3,-0.1 3,-0.1 4,-0.1 0.720 82.8 120.2 74.1 21.6 10.3 2.5 -18.7 70 61 A M S S+ 0 0 143 -5,-0.5 2,-0.3 2,-0.1 -4,-0.1 0.338 73.5 31.8-101.8 3.1 13.6 3.4 -17.1 71 62 A V S S- 0 0 33 -6,-0.1 5,-0.1 1,-0.1 -2,-0.0 -0.886 106.9 -59.3-145.7 171.1 14.9 -0.2 -16.8 72 63 A I >> - 0 0 22 -2,-0.3 4,-1.8 1,-0.1 3,-1.3 -0.165 54.0-110.0 -55.7 151.3 14.5 -3.4 -18.9 73 64 A K H 3> S+ 0 0 145 24,-0.3 4,-2.3 1,-0.3 5,-0.3 0.847 114.9 60.2 -55.9 -40.9 11.0 -4.7 -19.3 74 65 A G H 3> S+ 0 0 0 22,-2.8 4,-2.2 1,-0.2 -1,-0.3 0.796 106.7 48.0 -63.9 -27.9 11.5 -7.7 -17.1 75 66 A W H <> S+ 0 0 10 -3,-1.3 4,-2.2 21,-0.3 5,-0.3 0.904 108.8 51.5 -72.2 -47.6 12.3 -5.4 -14.2 76 67 A D H < S+ 0 0 21 -4,-1.8 4,-0.4 1,-0.2 -2,-0.2 0.889 121.5 35.3 -57.6 -37.6 9.4 -3.1 -14.7 77 68 A E H < S+ 0 0 64 -4,-2.3 3,-0.4 -5,-0.2 -2,-0.2 0.921 118.9 48.9 -77.4 -48.9 7.1 -6.2 -14.7 78 69 A G H < S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.703 104.8 54.3 -75.6 -23.1 8.9 -8.4 -12.2 79 70 A V S >< S+ 0 0 0 -4,-2.2 3,-1.9 2,-0.1 -47,-0.2 0.773 85.1 100.3 -80.5 -27.2 9.4 -5.9 -9.3 80 71 A Q T 3 S+ 0 0 79 -4,-0.4 -47,-0.2 -3,-0.4 3,-0.1 -0.359 85.0 24.9 -57.6 135.7 5.6 -5.2 -9.2 81 72 A G T 3 S+ 0 0 28 -49,-2.4 -1,-0.2 1,-0.4 -48,-0.1 0.217 88.7 125.9 91.5 -14.4 3.9 -7.1 -6.4 82 73 A M < - 0 0 4 -3,-1.9 -50,-3.2 -50,-0.1 -1,-0.4 -0.378 52.3-139.6 -61.0 156.7 7.0 -7.5 -4.2 83 74 A K B > -G 31 0B 61 -52,-0.3 3,-2.7 -3,-0.1 36,-0.3 -0.910 33.5 -83.7-118.5 150.3 6.7 -6.3 -0.6 84 75 A V T 3 S+ 0 0 36 -54,-2.2 -55,-2.5 -2,-0.3 -56,-0.8 -0.265 120.2 29.1 -57.1 133.7 9.4 -4.4 1.3 85 76 A G T 3 S+ 0 0 34 34,-2.9 -1,-0.3 1,-0.4 35,-0.1 0.165 96.0 128.2 96.2 -11.8 11.8 -6.9 2.7 86 77 A G < - 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0 0 22 -5,-2.4 11,-2.8 1,-0.2 12,-0.5 -0.080 60.5 -21.8 59.8-148.1 17.4 -8.5 -26.9 100 91 A A T 34 S+ 0 0 72 9,-0.3 -1,-0.2 1,-0.2 -5,-0.0 0.666 134.1 62.2 -72.9 -17.7 19.7 -9.1 -29.9 101 92 A R T <4 S- 0 0 211 -3,-1.0 -1,-0.2 1,-0.1 -2,-0.2 0.843 82.0-162.4 -76.3 -38.4 21.9 -6.1 -29.0 102 93 A G < - 0 0 2 -4,-1.5 2,-0.3 -3,-0.3 -1,-0.1 -0.348 18.3-110.1 69.4-166.7 23.2 -7.1 -25.6 103 94 A A B >> +H 107 0C 19 4,-1.9 4,-2.4 -2,-0.1 3,-1.9 -0.959 67.2 3.2-164.1 143.5 24.6 -4.4 -23.4 104 95 A G T 34 S- 0 0 75 -2,-0.3 -2,-0.1 1,-0.3 0, 0.0 0.547 105.2 -79.1 68.1 10.0 27.6 -2.9 -21.8 105 96 A G T 34 S+ 0 0 85 2,-0.3 -1,-0.3 1,-0.1 -3,-0.0 0.522 129.4 74.4 69.8 5.9 30.2 -5.2 -23.3 106 97 A V T <4 S+ 0 0 80 -3,-1.9 -2,-0.2 1,-0.2 -1,-0.1 0.556 79.2 63.8-127.6 -19.3 29.1 -7.7 -20.7 107 98 A I B < S-H 103 0C 11 -4,-2.4 -4,-1.9 -6,-0.1 -2,-0.3 -0.961 77.3-144.5-109.5 119.0 25.7 -9.0 -21.7 108 99 A P > - 0 0 65 0, 0.0 3,-1.0 0, 0.0 -6,-0.3 -0.271 33.9 -75.1 -70.4 166.9 25.8 -11.0 -25.0 109 100 A P T 3 S+ 0 0 78 0, 0.0 -9,-0.3 0, 0.0 -10,-0.1 -0.280 115.5 12.1 -52.8 142.4 23.1 -11.0 -27.7 110 101 A N T 3 S+ 0 0 106 -11,-2.8 2,-0.4 1,-0.2 -10,-0.1 0.776 90.4 165.3 61.2 34.0 20.1 -13.1 -26.9 111 102 A A < - 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