==== 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 4DZ2 . 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) . 11866.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 74.3 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 . 82 36.3 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 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 . 24 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 12.4 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 2 2 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 0 111 0, 0.0 2,-0.2 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 156.3 11.1 -11.9 17.9 2 2 A T - 0 0 106 12,-0.1 2,-0.5 2,-0.0 12,-0.4 -0.506 360.0-132.2 -95.7 161.9 9.7 -8.7 16.6 3 3 A V - 0 0 87 -2,-0.2 2,-0.5 10,-0.1 10,-0.2 -0.991 23.3-159.3-111.2 121.2 11.1 -6.0 14.2 4 4 A V E -A 12 0A 50 8,-2.8 8,-2.0 -2,-0.5 2,-0.6 -0.891 5.5-161.5-103.5 125.2 10.7 -2.4 15.6 5 5 A T E -A 11 0A 82 -2,-0.5 6,-0.2 6,-0.2 2,-0.1 -0.956 18.6-152.7-104.1 120.4 10.8 0.5 13.2 6 6 A T > - 0 0 21 4,-2.9 3,-1.8 -2,-0.6 0, 0.0 -0.330 32.2 -94.9 -88.8 172.7 11.5 3.7 15.1 7 7 A E T 3 S+ 0 0 189 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.822 124.6 55.8 -54.6 -33.4 10.6 7.3 14.3 8 8 A S T 3 S- 0 0 39 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.607 119.8-106.5 -75.3 -13.8 14.0 7.8 12.7 9 9 A G S < S+ 0 0 30 -3,-1.8 -2,-0.1 1,-0.4 2,-0.1 0.354 74.5 141.0 96.2 -6.1 13.6 4.9 10.3 10 10 A L - 0 0 0 73,-0.1 -4,-2.9 -5,-0.1 -1,-0.4 -0.454 36.9-156.4 -59.3 141.5 16.0 2.7 12.2 11 11 A K E +AB 5 82A 86 71,-1.7 71,-3.2 -6,-0.2 2,-0.3 -0.988 14.5 176.4-118.5 139.5 14.9 -1.0 12.4 12 12 A Y E -AB 4 81A 60 -8,-2.0 -8,-2.8 -2,-0.4 2,-0.4 -0.978 13.0-167.9-139.6 155.2 16.1 -3.3 15.1 13 13 A E E - B 0 80A 32 67,-1.7 67,-3.1 -2,-0.3 2,-1.4 -0.973 21.4-136.6-143.0 121.7 15.4 -6.9 16.2 14 14 A D E + B 0 79A 41 -12,-0.4 65,-0.2 -2,-0.4 3,-0.2 -0.699 23.6 176.6 -80.6 95.7 16.4 -8.6 19.4 15 15 A L E S+ 0 0 59 -2,-1.4 2,-0.4 63,-1.1 -1,-0.2 0.864 79.6 18.7 -62.5 -40.7 17.6 -11.9 18.1 16 16 A T E S- B 0 78A 74 62,-2.2 62,-1.9 -3,-0.2 2,-0.4 -0.989 81.1-136.4-135.1 123.4 18.6 -12.8 21.8 17 17 A E - 0 0 130 -2,-0.4 2,-0.1 -3,-0.2 56,-0.1 -0.648 26.1-127.9 -74.4 129.3 17.2 -10.9 24.8 18 18 A G - 0 0 8 -2,-0.4 58,-0.2 1,-0.1 57,-0.2 -0.436 11.2-156.6 -76.6 155.7 19.9 -10.1 27.3 19 19 A S + 0 0 127 56,-1.0 57,-0.1 55,-0.1 -1,-0.1 0.501 69.2 70.2-104.9 -8.6 19.4 -11.2 31.0 20 20 A G S S- 0 0 33 55,-2.0 -2,-0.1 1,-0.2 92,-0.0 0.052 94.7 -31.1 -99.3-157.6 21.8 -8.6 32.5 21 21 A A - 0 0 57 53,-0.2 54,-2.1 1,-0.1 2,-0.2 -0.241 62.8-112.0 -69.3 146.0 22.0 -4.8 33.0 22 22 A E B -G 74 0B 107 52,-0.2 2,-0.4 -3,-0.1 52,-0.2 -0.538 22.7-125.3 -80.9 137.6 20.3 -2.4 30.6 23 23 A A + 0 0 2 50,-3.2 49,-2.3 -2,-0.2 2,-0.3 -0.659 34.6 175.1 -80.1 127.2 22.3 -0.1 28.3 24 24 A R > - 0 0 157 -2,-0.4 3,-1.9 47,-0.2 33,-0.2 -0.962 40.9 -83.5-132.2 155.7 21.4 3.6 28.6 25 25 A A T 3 S+ 0 0 54 -2,-0.3 33,-0.2 1,-0.2 3,-0.1 -0.242 114.7 37.1 -51.4 135.0 22.8 6.9 27.1 26 26 A G T 3 S+ 0 0 62 31,-3.2 -1,-0.2 1,-0.4 2,-0.1 -0.090 91.7 111.1 106.0 -31.3 25.8 8.1 29.2 27 27 A Q < - 0 0 29 -3,-1.9 30,-2.8 29,-0.1 2,-0.6 -0.446 70.0-126.8 -75.0 146.7 27.2 4.7 29.9 28 28 A T E -C 56 0A 85 85,-0.4 2,-0.3 28,-0.2 28,-0.2 -0.868 39.5-170.1 -88.1 117.4 30.5 3.4 28.4 29 29 A V E -C 55 0A 1 26,-2.8 26,-1.9 -2,-0.6 2,-0.4 -0.734 18.5-147.1-113.4 160.9 29.5 0.1 26.8 30 30 A S E +CD 54 112A 25 82,-2.1 81,-2.6 -2,-0.3 82,-1.4 -0.998 26.1 166.4-129.1 131.5 31.5 -2.7 25.3 31 31 A V E -CD 53 110A 0 22,-2.6 22,-3.2 -2,-0.4 2,-0.4 -0.942 33.2-136.0-139.9 157.1 30.2 -4.8 22.3 32 32 A H E + D 0 109A 44 77,-2.0 77,-3.4 -2,-0.3 2,-0.3 -0.888 36.9 176.7-103.3 147.5 31.1 -7.3 19.7 33 33 A Y E - D 0 108A 28 -2,-0.4 13,-2.0 75,-0.2 14,-0.6 -0.994 26.9-158.8-147.0 154.9 29.7 -6.5 16.3 34 34 A T E -ED 45 107A 31 73,-1.8 73,-2.3 -2,-0.3 2,-0.4 -0.990 17.1-155.9-128.8 144.5 29.6 -7.6 12.7 35 35 A G E +ED 44 106A 0 9,-2.8 8,-2.6 -2,-0.4 9,-1.3 -0.966 13.4 176.6-124.0 133.1 28.7 -5.3 9.8 36 36 A W E -ED 42 105A 66 69,-3.2 69,-2.9 -2,-0.4 6,-0.2 -0.973 28.9-124.6-132.2 150.6 27.3 -6.2 6.4 37 37 A L E > - D 0 104A 27 4,-2.6 3,-2.1 -2,-0.3 67,-0.1 -0.470 45.1-101.0 -76.6 162.6 26.1 -4.4 3.3 38 38 A T T 3 S+ 0 0 105 65,-0.7 -1,-0.1 1,-0.3 66,-0.1 0.732 121.6 64.2 -63.6 -21.3 22.5 -5.5 2.2 39 39 A D T 3 S- 0 0 128 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.410 123.3-102.5 -80.2 1.3 24.0 -7.8 -0.5 40 40 A G S < S+ 0 0 55 -3,-2.1 2,-0.5 1,-0.3 -2,-0.1 0.493 73.4 144.0 92.5 3.4 25.6 -9.9 2.3 41 41 A Q - 0 0 46 1,-0.0 -4,-2.6 2,-0.0 2,-0.4 -0.677 46.0-136.2 -76.1 120.2 29.2 -8.6 2.0 42 42 A K E +E 36 0A 109 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.651 25.7 176.3 -73.3 127.3 30.8 -8.4 5.5 43 43 A F E + 0 0 51 -8,-2.6 2,-0.3 -2,-0.4 -7,-0.2 0.618 63.6 4.0-105.8 -17.7 32.8 -5.2 5.9 44 44 A D E -E 35 0A 48 -9,-1.3 -9,-2.8 4,-0.0 -1,-0.3 -0.986 46.6-179.3-165.1 153.3 33.9 -5.6 9.6 45 45 A S E > -E 34 0A 7 -2,-0.3 4,-0.9 -11,-0.2 -11,-0.2 -0.860 14.3-162.4-154.3 118.7 33.9 -7.9 12.6 46 46 A S T 4>S+ 0 0 0 -13,-2.0 5,-2.2 -2,-0.3 4,-0.4 0.830 97.5 60.4 -67.1 -35.0 35.4 -7.0 16.0 47 47 A K T >45S+ 0 0 58 -14,-0.6 3,-0.9 3,-0.2 -1,-0.2 0.901 101.8 53.0 -55.9 -42.1 35.3 -10.8 16.8 48 48 A D T 345S+ 0 0 109 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.826 113.1 43.1 -64.4 -32.6 37.7 -11.4 13.7 49 49 A R T 3<5S- 0 0 114 -4,-0.9 -1,-0.3 -3,-0.1 -2,-0.2 0.417 109.0-128.7 -89.6 -3.3 40.1 -8.8 15.1 50 50 A N T < 5 + 0 0 145 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.904 69.7 123.1 58.1 46.9 39.7 -10.2 18.6 51 51 A D < - 0 0 88 -5,-2.2 -1,-0.1 2,-0.0 -2,-0.1 -0.808 56.1-143.3-148.9 92.4 38.9 -6.7 19.9 52 52 A P - 0 0 58 0, 0.0 2,-0.6 0, 0.0 -20,-0.2 -0.249 25.4-124.7 -57.3 148.3 35.7 -5.8 21.8 53 53 A F E -C 31 0A 64 -22,-3.2 -22,-2.6 2,-0.0 2,-0.4 -0.896 23.9-166.4-104.6 124.1 34.5 -2.3 20.9 54 54 A A E +C 30 0A 63 -2,-0.6 2,-0.3 -24,-0.2 -24,-0.2 -0.863 17.2 154.4-105.1 137.9 33.9 0.3 23.6 55 55 A F E -C 29 0A 19 -26,-1.9 -26,-2.8 -2,-0.4 2,-0.7 -0.976 47.6-100.8-154.9 166.8 32.1 3.6 23.1 56 56 A V E > -C 28 0A 70 -2,-0.3 3,-2.4 -28,-0.2 5,-0.3 -0.822 42.8-127.3 -93.9 116.6 30.1 6.2 25.1 57 57 A L T 3 S+ 0 0 1 -30,-2.8 -31,-3.2 -2,-0.7 10,-0.1 -0.484 95.4 10.7 -73.1 124.8 26.4 5.4 24.3 58 58 A G T 3 S+ 0 0 42 -2,-0.3 -1,-0.3 -33,-0.2 -33,-0.1 0.567 92.3 127.3 82.7 10.3 24.8 8.6 23.1 59 59 A G S < S- 0 0 37 -3,-2.4 -2,-0.1 1,-0.1 -1,-0.0 0.487 72.3-124.6 -80.9 -4.0 28.3 10.3 22.8 60 60 A G S S+ 0 0 58 -4,-0.2 4,-0.1 3,-0.1 -3,-0.1 0.764 85.0 104.6 68.6 24.6 27.8 11.4 19.2 61 61 A M S S+ 0 0 109 -5,-0.3 2,-0.2 2,-0.1 3,-0.1 0.664 70.2 55.7-107.0 -24.7 31.0 9.6 18.1 62 62 A V S S- 0 0 30 -6,-0.2 5,-0.1 1,-0.2 -2,-0.0 -0.568 105.6 -71.5-101.9 168.4 29.4 6.6 16.3 63 63 A I >> - 0 0 23 -2,-0.2 4,-1.5 1,-0.1 3,-1.4 -0.247 50.1-108.8 -58.9 151.5 26.9 6.7 13.5 64 64 A K H 3> S+ 0 0 145 24,-0.3 4,-2.1 1,-0.3 5,-0.2 0.821 115.4 60.7 -54.8 -38.9 23.4 7.8 14.5 65 65 A G H 3> S+ 0 0 0 22,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.786 106.8 46.9 -61.6 -30.4 21.9 4.3 14.1 66 66 A W H <> S+ 0 0 11 -3,-1.4 4,-2.3 21,-0.3 5,-0.3 0.920 108.8 50.9 -75.1 -50.2 24.2 2.9 16.7 67 67 A D H < S+ 0 0 23 -4,-1.5 4,-0.3 1,-0.2 -2,-0.2 0.854 123.1 35.1 -56.0 -37.2 23.7 5.7 19.4 68 68 A E H >< S+ 0 0 59 -4,-2.1 3,-0.6 -5,-0.2 -2,-0.2 0.932 118.8 48.4 -77.2 -54.7 20.0 5.1 18.9 69 69 A G H 3< S+ 0 0 1 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.720 105.9 54.6 -66.6 -26.2 19.9 1.3 18.3 70 70 A V T >< S+ 0 0 0 -4,-2.3 3,-1.7 -5,-0.1 -1,-0.2 0.775 83.6 99.8 -82.2 -24.5 22.1 0.1 21.2 71 71 A Q T < S+ 0 0 82 -3,-0.6 -47,-0.2 -5,-0.3 3,-0.1 -0.408 85.2 27.1 -61.7 131.5 20.1 1.9 23.8 72 72 A G T 3 S+ 0 0 24 -49,-2.3 -1,-0.2 1,-0.4 -2,-0.1 0.125 87.9 128.5 99.0 -19.0 17.7 -0.6 25.6 73 73 A M < - 0 0 3 -3,-1.7 -50,-3.2 -51,-0.1 -1,-0.4 -0.349 50.2-139.7 -61.3 149.1 19.9 -3.7 25.0 74 74 A K B > -G 22 0B 65 -52,-0.2 3,-2.8 -3,-0.1 36,-0.3 -0.870 33.5 -86.4-110.1 149.8 20.7 -5.9 28.0 75 75 A V T 3 S+ 0 0 35 -54,-2.1 -55,-2.0 -2,-0.3 -56,-1.0 -0.293 120.0 28.5 -58.2 128.4 24.0 -7.4 28.7 76 76 A G T 3 S+ 0 0 38 34,-2.7 -1,-0.3 1,-0.4 35,-0.1 0.117 95.7 129.3 101.8 -16.4 24.1 -10.8 26.9 77 77 A G < - 0 0 2 -3,-2.8 33,-2.0 33,-0.1 2,-0.5 -0.336 47.5-153.5 -74.2 148.5 21.7 -9.6 24.2 78 78 A V E -BF 16 109A 33 -62,-1.9 -62,-2.2 31,-0.2 -63,-1.1 -0.989 18.2-177.4-120.8 117.2 22.2 -9.8 20.4 79 79 A R E -BF 14 108A 11 29,-2.5 29,-3.1 -2,-0.5 2,-0.6 -0.951 18.6-144.3-117.6 136.3 20.4 -7.1 18.5 80 80 A R E -BF 13 107A 78 -67,-3.1 -67,-1.7 -2,-0.4 2,-0.5 -0.891 17.0-161.7 -98.7 122.2 20.3 -6.8 14.7 81 81 A L E -BF 12 106A 0 25,-2.7 25,-2.5 -2,-0.6 2,-0.6 -0.907 10.3-164.4-106.3 130.9 20.3 -3.1 13.4 82 82 A T E -BF 11 105A 44 -71,-3.2 -71,-1.7 -2,-0.5 23,-0.2 -0.943 19.0-167.5-113.4 105.9 19.1 -2.2 9.9 83 83 A I E - F 0 104A 0 21,-3.1 21,-2.6 -2,-0.6 -73,-0.1 -0.839 13.8-140.7-107.4 114.7 20.4 1.3 9.5 84 84 A P > - 0 0 20 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.367 35.3-103.1 -68.7 157.0 19.2 3.5 6.6 85 85 A P G > >S+ 0 0 14 0, 0.0 5,-2.5 0, 0.0 3,-1.4 0.762 119.3 62.2 -58.3 -28.9 22.0 5.7 5.0 86 86 A Q G 3 5S+ 0 0 115 1,-0.3 -22,-0.1 3,-0.1 17,-0.1 0.693 109.4 42.4 -70.7 -18.4 20.9 8.9 6.7 87 87 A L G < 5S+ 0 0 17 -3,-2.3 -22,-2.2 -23,-0.1 -21,-0.3 0.180 126.5 35.5-103.3 11.0 21.6 7.2 10.1 88 88 A G T < 5S- 0 0 19 -3,-1.4 -24,-0.3 -4,-0.2 15,-0.1 0.097 127.7 -38.6-124.5-117.6 24.9 5.7 8.7 89 89 A Y T >>5S- 0 0 102 13,-0.4 4,-1.6 1,-0.2 3,-0.7 0.323 73.5-164.8-103.3 4.5 27.5 7.2 6.2 90 90 A G T 34< - 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