==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 27-JAN-98 1A33 . COMPND 2 MOLECULE: PEPTIDYLPROLYL ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUGIA MALAYI; . AUTHOR V.MIKOL,D.MA,C.K.S.CARLOW . 174 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 65.5 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 . 54 31.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 17 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 12.1 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+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 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 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 0 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 4 A K 0 0 104 0, 0.0 24,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -97.3 57.5 37.8 30.6 2 5 A D + 0 0 127 2,-0.0 2,-0.4 22,-0.0 24,-0.2 -0.364 360.0 145.1-108.0 43.4 56.3 39.0 27.2 3 6 A R - 0 0 70 22,-0.1 2,-0.3 23,-0.1 22,-0.2 -0.716 33.9-155.0 -88.5 135.0 53.2 36.8 27.6 4 7 A R E -A 24 0A 89 20,-0.9 20,-3.4 -2,-0.4 2,-0.4 -0.708 6.6-132.7-110.8 158.5 49.9 38.1 26.2 5 8 A R E +A 23 0A 66 168,-0.4 168,-2.6 -2,-0.3 2,-0.3 -0.929 21.3 180.0-114.3 142.3 46.3 37.4 27.1 6 9 A V E -AB 22 172A 0 16,-2.5 16,-2.9 -2,-0.4 2,-0.3 -0.909 9.9-150.4-134.1 157.7 43.5 36.5 24.7 7 10 A F E -AB 21 171A 26 164,-2.4 164,-1.6 -2,-0.3 2,-0.4 -0.935 10.4-161.9-134.4 155.8 39.8 35.8 25.2 8 11 A L E -AB 20 170A 0 12,-1.8 12,-2.6 -2,-0.3 2,-0.6 -0.995 11.6-154.3-134.3 121.6 36.9 33.8 23.7 9 12 A D E -AB 19 169A 14 160,-2.9 159,-2.1 -2,-0.4 160,-1.2 -0.919 23.5-160.6 -95.6 121.9 33.3 34.7 24.6 10 13 A V E -AB 18 167A 0 8,-2.5 7,-3.3 -2,-0.6 8,-1.2 -0.861 14.5-166.3-112.8 138.3 31.3 31.5 24.1 11 14 A T E -AB 16 166A 12 155,-2.5 155,-2.0 -2,-0.4 2,-0.5 -0.897 9.9-152.2-116.1 146.1 27.6 30.9 23.6 12 15 A I E > S-AB 15 165A 25 3,-3.0 3,-2.0 -2,-0.3 153,-0.2 -0.988 87.0 -18.9-119.5 113.6 25.9 27.5 23.8 13 16 A D T 3 S- 0 0 103 151,-2.3 -1,-0.1 -2,-0.5 152,-0.1 0.878 131.2 -51.6 53.3 39.8 22.8 27.5 21.6 14 17 A G T 3 S+ 0 0 57 150,-0.6 2,-0.4 1,-0.2 -1,-0.3 0.182 115.0 114.7 88.5 -19.6 22.9 31.3 21.7 15 18 A N E < S-A 12 0A 122 -3,-2.0 -3,-3.0 1,-0.1 -1,-0.2 -0.748 74.0-111.6 -89.8 131.5 23.1 31.6 25.4 16 19 A L E -A 11 0A 117 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.401 30.8-178.0 -65.1 124.9 26.3 33.1 26.8 17 20 A A E - 0 0 17 -7,-3.3 2,-0.3 1,-0.4 -6,-0.2 0.704 48.6-102.5 -93.5 -25.6 28.4 30.6 28.7 18 21 A G E -A 10 0A 19 -8,-1.2 -8,-2.5 128,-0.1 2,-0.4 -0.852 42.0 -50.5 135.6-170.4 31.1 33.0 29.7 19 22 A R E -A 9 0A 95 -2,-0.3 2,-0.6 -10,-0.2 -10,-0.2 -0.898 30.4-156.6-115.2 130.8 34.7 34.0 28.8 20 23 A I E -A 8 0A 0 -12,-2.6 -12,-1.8 -2,-0.4 2,-0.5 -0.911 15.5-164.5-101.5 118.7 37.7 31.8 28.4 21 24 A V E -AC 7 142A 13 121,-2.3 120,-2.8 -2,-0.6 121,-1.4 -0.939 5.8-169.5-109.6 129.4 40.9 33.8 29.0 22 25 A M E -AC 6 140A 0 -16,-2.9 -16,-2.5 -2,-0.5 2,-0.6 -0.941 16.7-144.1-121.5 139.4 44.2 32.3 27.9 23 26 A E E -AC 5 139A 44 116,-2.7 116,-1.8 -2,-0.4 2,-0.5 -0.898 20.1-144.2-101.7 123.3 47.7 33.4 28.6 24 27 A L E -AC 4 138A 0 -20,-3.4 2,-2.0 -2,-0.6 -20,-0.9 -0.770 7.6-139.1 -91.6 125.9 50.0 32.9 25.6 25 28 A Y >> + 0 0 26 112,-2.9 4,-2.5 -2,-0.5 3,-1.7 -0.448 34.3 165.7 -85.1 69.1 53.6 31.8 26.4 26 29 A N T 34 S+ 0 0 19 -2,-2.0 -1,-0.2 1,-0.3 -23,-0.1 0.678 70.6 61.6 -55.8 -25.8 55.1 34.1 23.6 27 30 A D T 34 S+ 0 0 71 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.793 114.0 32.5 -74.4 -27.0 58.6 33.6 25.2 28 31 A I T <4 S+ 0 0 50 -3,-1.7 -2,-0.2 1,-0.2 69,-0.2 0.815 135.7 20.9 -99.2 -33.9 58.5 29.8 24.6 29 32 A A X + 0 0 0 -4,-2.5 4,-2.7 108,-0.2 5,-0.3 -0.533 66.2 164.7-136.0 70.7 56.5 29.6 21.4 30 33 A P H > S+ 0 0 69 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.872 78.1 43.3 -56.6 -43.8 56.5 32.9 19.5 31 34 A R H > S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.891 117.0 46.6 -69.4 -42.7 55.3 31.7 16.1 32 35 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.899 116.3 44.1 -66.5 -41.1 52.6 29.5 17.6 33 36 A C H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.903 112.2 52.9 -70.2 -42.1 51.3 32.2 20.0 34 37 A N H X S+ 0 0 56 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.931 109.8 49.7 -58.8 -43.4 51.5 34.9 17.2 35 38 A N H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.950 113.7 45.0 -60.3 -49.4 49.4 32.6 15.0 36 39 A F H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.914 113.4 49.0 -62.2 -46.9 46.8 32.1 17.8 37 40 A L H X S+ 0 0 12 -4,-3.0 4,-1.9 1,-0.2 6,-0.2 0.887 111.7 49.0 -59.0 -46.7 46.6 35.8 18.8 38 41 A M H X S+ 0 0 33 -4,-2.3 4,-2.4 -5,-0.3 5,-0.5 0.836 109.8 52.5 -64.6 -33.0 46.2 36.9 15.2 39 42 A L H < S+ 0 0 0 -4,-1.8 17,-2.4 -5,-0.2 18,-0.4 0.867 109.2 50.1 -72.0 -31.6 43.4 34.3 14.8 40 43 A C H < S+ 0 0 0 -4,-1.9 -2,-0.2 15,-0.2 -1,-0.2 0.884 120.9 34.2 -71.9 -35.0 41.7 35.7 17.9 41 44 A T H < S- 0 0 18 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.727 94.0-134.5 -93.3 -24.3 41.9 39.3 16.6 42 45 A G >< + 0 0 25 -4,-2.4 3,-1.0 12,-0.3 12,-0.2 0.556 62.7 133.1 78.4 12.2 41.5 38.8 12.8 43 46 A M T 3 + 0 0 142 -5,-0.5 -4,-0.1 1,-0.2 -5,-0.1 0.199 55.6 63.6 -83.8 15.4 44.4 41.2 12.3 44 47 A A T 3 S- 0 0 45 -6,-0.4 2,-0.3 10,-0.4 -1,-0.2 0.386 94.7-137.2-114.6 -2.8 46.4 39.1 9.7 45 48 A G < - 0 0 37 -3,-1.0 9,-2.8 9,-0.2 -1,-0.3 -0.641 48.7 -9.7 91.6-141.6 43.8 39.2 6.9 46 49 A T B S-I 53 0B 92 -2,-0.3 2,-0.1 7,-0.3 6,-0.1 -0.738 73.8 -95.6-104.8 150.1 42.7 36.3 4.7 47 50 A G > - 0 0 2 5,-3.3 4,-2.1 -2,-0.3 39,-0.1 -0.398 25.1-137.6 -64.8 134.9 44.3 32.8 4.4 48 51 A K T 4 S+ 0 0 160 37,-0.3 -1,-0.1 2,-0.2 38,-0.1 0.912 101.5 28.2 -59.3 -44.0 46.8 32.4 1.5 49 52 A I T 4 S+ 0 0 139 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.915 131.2 34.5 -85.2 -48.8 45.5 29.0 0.5 50 53 A S T 4 S- 0 0 47 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.711 87.4-143.0 -80.8 -22.7 41.8 29.1 1.6 51 54 A G < + 0 0 48 -4,-2.1 -3,-0.1 1,-0.3 3,-0.1 0.480 59.9 126.6 72.3 0.9 41.2 32.8 0.9 52 55 A K S S- 0 0 88 1,-0.1 -5,-3.3 -6,-0.1 -1,-0.3 -0.551 73.5 -81.4 -92.5 155.0 39.0 32.9 4.0 53 56 A P B -I 46 0B 77 0, 0.0 2,-2.0 0, 0.0 -7,-0.3 -0.300 34.0-132.7 -56.5 126.0 39.3 35.3 7.1 54 57 A L + 0 0 4 -9,-2.8 -10,-0.4 -12,-0.2 2,-0.3 -0.621 68.6 120.5 -80.0 81.7 42.1 34.1 9.5 55 58 A H - 0 0 58 -2,-2.0 -15,-0.2 -14,-0.1 -16,-0.1 -0.977 60.8-152.9-154.9 134.4 39.6 34.7 12.4 56 59 A Y > + 0 0 0 -17,-2.4 3,-2.5 -2,-0.3 111,-0.3 0.641 59.5 120.6 -81.0 -17.1 38.0 32.6 15.1 57 60 A K T 3 S+ 0 0 108 -18,-0.4 111,-0.2 1,-0.3 3,-0.1 -0.261 85.3 7.2 -55.5 125.6 34.9 34.7 15.4 58 61 A G T 3 S+ 0 0 48 109,-2.9 -1,-0.3 1,-0.3 110,-0.1 0.262 101.3 119.7 87.7 -13.7 31.8 32.7 14.6 59 62 A S < - 0 0 11 -3,-2.5 108,-2.4 108,-0.2 -1,-0.3 -0.219 52.1-134.6 -76.4 177.4 33.7 29.4 14.5 60 63 A T B -D 166 0A 19 14,-0.3 2,-0.9 106,-0.2 13,-0.8 -0.712 20.3-106.9-131.3 175.7 32.8 26.6 16.9 61 64 A F E +E 72 0A 3 104,-1.6 104,-0.3 -2,-0.2 11,-0.3 -0.938 42.6 174.9-101.4 98.1 34.0 23.9 19.3 62 65 A H E + 0 0 9 -2,-0.9 2,-0.4 9,-0.7 10,-0.2 0.502 59.5 43.8 -85.7 -10.4 33.1 21.0 17.0 63 66 A R E +E 71 0A 96 8,-1.5 8,-3.4 97,-0.2 2,-0.4 -0.989 56.4 171.5-142.6 131.7 34.6 18.3 19.2 64 67 A V E -E 70 0A 3 95,-2.1 2,-0.5 -2,-0.4 6,-0.2 -0.998 12.4-162.6-138.5 132.2 34.4 17.6 22.9 65 68 A I E >> -E 69 0A 54 4,-3.0 3,-2.4 -2,-0.4 4,-1.6 -0.968 28.0-119.5-119.2 113.6 35.7 14.5 24.7 66 69 A K T 34 S+ 0 0 102 -2,-0.5 86,-0.1 1,-0.3 82,-0.0 -0.218 97.3 9.5 -51.5 133.2 34.3 13.9 28.2 67 70 A N T 34 S+ 0 0 106 1,-0.1 -1,-0.3 81,-0.1 57,-0.1 0.528 132.1 50.7 71.0 11.1 37.1 13.8 30.8 68 71 A F T <4 S- 0 0 52 -3,-2.4 56,-2.0 1,-0.3 57,-0.5 0.627 99.1 -37.2-139.6 -55.7 39.7 15.1 28.3 69 72 A M E < -EF 65 123A 17 -4,-1.6 -4,-3.0 54,-0.3 2,-0.4 -0.987 28.8-127.3-168.6 171.7 39.4 18.1 26.0 70 73 A I E -EF 64 122A 0 52,-1.6 52,-2.3 -2,-0.3 2,-0.4 -0.982 28.9-159.2-129.9 139.9 37.4 20.5 23.8 71 74 A Q E +EF 63 121A 10 -8,-3.4 -8,-1.5 -2,-0.4 -9,-0.7 -0.965 23.6 136.0-127.4 140.8 38.6 21.3 20.3 72 75 A G E +EF 61 120A 0 48,-2.5 48,-2.0 -2,-0.4 -11,-0.2 -0.765 22.2 106.7-155.2-158.8 37.9 24.1 17.9 73 76 A G + 0 0 0 -13,-0.8 2,-1.7 46,-0.3 3,-0.1 0.436 42.5 133.0 91.9 -2.3 39.4 26.6 15.5 74 77 A D > + 0 0 3 -14,-0.5 4,-1.1 1,-0.2 -14,-0.3 -0.611 19.7 162.6 -84.9 85.6 38.2 25.1 12.2 75 78 A F T 4 + 0 0 27 -2,-1.7 -1,-0.2 1,-0.2 -2,-0.0 0.536 68.0 50.1 -82.4 -7.8 37.0 28.3 10.6 76 79 A T T 4 S+ 0 0 27 -3,-0.1 -1,-0.2 -24,-0.1 -2,-0.1 0.844 130.3 7.8 -97.6 -39.5 36.9 27.0 7.0 77 80 A K T 4 S- 0 0 130 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.563 79.6-142.2-117.4 -15.8 35.0 23.7 7.4 78 81 A G S < S+ 0 0 21 -4,-1.1 -3,-0.1 1,-0.1 -4,-0.0 0.634 83.1 76.6 61.4 19.2 33.7 23.7 11.0 79 82 A D S S- 0 0 82 -7,-0.0 -1,-0.1 81,-0.0 -4,-0.1 0.351 112.9 -86.2-140.3 5.6 34.2 19.9 11.4 80 83 A G S S+ 0 0 9 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.0 0.260 108.8 88.5 105.6 -13.0 38.0 19.2 11.9 81 84 A T S S+ 0 0 84 -7,-0.1 2,-0.1 -4,-0.0 -7,-0.0 0.567 85.9 47.1 -95.1 -9.4 39.0 19.0 8.2 82 85 A G + 0 0 15 -8,-0.0 36,-0.3 2,-0.0 37,-0.3 -0.147 51.8 109.2-113.7-153.7 39.8 22.7 7.7 83 86 A G - 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