==== 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 20-FEB-98 1A58 . COMPND 2 MOLECULE: CYCLOPHILIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUGIA MALAYI; . AUTHOR P.TAYLOR,A.P.PAGE,G.KONTOPIDIS,H.HUSI,M.D.WALKINSHAW . 177 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 65.0 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 . 55 31.1 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 . 1 0.6 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 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 11.3 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 0 1 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 1 A M 0 0 193 0, 0.0 2,-0.1 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 -46.9 62.1 21.2 10.1 2 2 A S > - 0 0 50 1,-0.1 3,-1.3 27,-0.0 28,-0.2 -0.451 360.0-113.9 -94.2 167.5 61.2 20.4 6.5 3 3 A K G > S+ 0 0 146 1,-0.3 3,-1.0 2,-0.2 26,-0.1 0.717 118.1 64.3 -70.6 -20.0 58.3 21.9 4.4 4 4 A K G 3 S+ 0 0 184 1,-0.2 -1,-0.3 26,-0.0 0, 0.0 0.476 86.4 73.9 -80.9 -2.4 56.9 18.4 4.4 5 5 A D G < + 0 0 87 -3,-1.3 2,-0.2 2,-0.1 -1,-0.2 0.544 69.2 119.3 -84.7 -11.7 56.5 18.7 8.2 6 6 A R < - 0 0 53 -3,-1.0 22,-0.2 -4,-0.1 2,-0.1 -0.411 52.5-150.8 -65.0 122.8 53.5 21.1 7.8 7 7 A R E -A 27 0A 108 20,-0.7 20,-3.1 -2,-0.2 2,-0.4 -0.468 3.7-134.6 -91.9 160.5 50.3 19.8 9.3 8 8 A R E -AB 26 176A 97 168,-0.7 168,-2.9 18,-0.2 2,-0.3 -0.963 20.4-175.7-119.9 139.2 46.7 20.5 8.2 9 9 A V E -AB 25 175A 0 16,-2.5 16,-2.5 -2,-0.4 2,-0.3 -0.914 8.7-146.9-132.4 153.7 43.8 21.4 10.5 10 10 A F E -AB 24 174A 29 164,-2.8 164,-1.5 -2,-0.3 2,-0.4 -0.917 10.6-167.2-128.0 155.4 40.1 22.0 10.0 11 11 A L E -AB 23 173A 0 12,-1.8 12,-2.9 -2,-0.3 2,-0.7 -0.976 9.4-158.6-137.7 116.7 37.2 24.1 11.4 12 12 A D E -AB 22 172A 16 160,-3.0 159,-1.9 -2,-0.4 160,-1.1 -0.897 23.6-161.8 -95.0 118.7 33.6 23.3 10.5 13 13 A V E -AB 21 170A 0 8,-2.7 7,-2.8 -2,-0.7 8,-1.3 -0.843 14.0-166.0-112.1 140.4 31.6 26.5 11.1 14 14 A T E -AB 19 169A 14 155,-2.6 155,-2.3 -2,-0.4 2,-0.6 -0.914 10.0-152.6-119.1 145.7 27.9 27.2 11.6 15 15 A I E > S-AB 18 168A 21 3,-2.9 3,-1.7 -2,-0.3 153,-0.2 -0.965 87.1 -20.4-118.9 108.7 26.1 30.6 11.4 16 16 A D T 3 S- 0 0 96 151,-2.9 -1,-0.2 -2,-0.6 152,-0.1 0.922 130.1 -51.1 57.0 44.4 23.0 30.5 13.6 17 17 A G T 3 S+ 0 0 62 150,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.185 114.9 116.5 82.5 -18.5 23.0 26.7 13.4 18 18 A N E < S-A 15 0A 123 -3,-1.7 -3,-2.9 1,-0.1 2,-0.2 -0.758 72.9-114.6 -90.1 124.4 23.3 26.6 9.6 19 19 A L E -A 14 0A 118 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.373 30.3-178.7 -60.2 117.8 26.5 25.0 8.3 20 20 A A E - 0 0 33 -7,-2.8 2,-0.3 1,-0.3 -6,-0.2 0.742 49.1-106.0 -87.1 -29.3 28.6 27.6 6.4 21 21 A G E -A 13 0A 19 -8,-1.3 -8,-2.7 128,-0.1 2,-0.4 -0.856 40.4 -47.7 136.4-169.5 31.3 25.1 5.5 22 22 A R E -A 12 0A 99 -2,-0.3 2,-0.6 -10,-0.2 -10,-0.2 -0.884 31.6-157.2-111.7 132.3 34.9 24.0 6.4 23 23 A I E -A 11 0A 0 -12,-2.9 -12,-1.8 -2,-0.4 2,-0.5 -0.925 13.8-165.0-105.2 118.9 38.0 26.1 6.7 24 24 A V E -AC 10 145A 9 121,-2.4 120,-3.0 -2,-0.6 121,-1.3 -0.935 6.2-171.2-108.3 130.4 41.2 24.2 6.2 25 25 A M E -AC 9 143A 0 -16,-2.5 -16,-2.5 -2,-0.5 2,-0.5 -0.946 18.1-141.2-123.5 142.0 44.5 25.7 7.2 26 26 A E E -AC 8 142A 33 116,-2.8 116,-1.6 -2,-0.4 2,-0.5 -0.899 21.2-145.0-101.7 123.0 48.1 24.6 6.7 27 27 A L E -AC 7 141A 0 -20,-3.1 2,-1.7 -2,-0.5 -20,-0.7 -0.792 7.6-139.3 -93.1 129.0 50.3 25.1 9.7 28 28 A Y >> + 0 0 41 112,-2.5 4,-2.6 -2,-0.5 3,-1.8 -0.483 34.6 163.8 -86.8 69.0 54.0 26.1 9.2 29 29 A N T 34 S+ 0 0 28 -2,-1.7 -1,-0.2 1,-0.3 8,-0.1 0.690 71.6 59.7 -56.7 -27.4 55.4 23.9 11.9 30 30 A D T 34 S+ 0 0 41 -3,-0.2 -1,-0.3 -28,-0.2 -2,-0.1 0.654 115.4 32.4 -78.7 -17.0 58.9 24.2 10.5 31 31 A I T <4 S+ 0 0 48 -3,-1.8 -2,-0.2 1,-0.1 69,-0.2 0.749 135.2 20.5-108.5 -36.7 58.9 28.0 10.9 32 32 A A X + 0 0 2 -4,-2.6 4,-2.5 108,-0.2 5,-0.3 -0.578 68.9 166.8-135.6 72.2 56.8 28.6 14.0 33 33 A P H > S+ 0 0 69 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.870 75.8 44.0 -54.6 -48.4 56.8 25.2 16.0 34 34 A R H > S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.911 116.4 45.9 -67.1 -44.8 55.4 26.5 19.3 35 35 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.908 116.1 45.7 -65.9 -41.5 52.7 28.6 17.8 36 36 A C H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.860 113.0 50.2 -69.2 -37.9 51.6 25.9 15.4 37 37 A N H X S+ 0 0 61 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.922 110.3 50.1 -66.6 -43.6 51.7 23.2 18.1 38 38 A N H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.956 114.5 44.6 -58.7 -49.5 49.6 25.4 20.4 39 39 A F H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.916 113.1 49.4 -61.5 -47.9 47.0 25.9 17.6 40 40 A L H X S+ 0 0 4 -4,-2.8 4,-1.8 1,-0.2 3,-0.2 0.901 111.5 49.5 -59.3 -44.0 46.9 22.3 16.5 41 41 A M H X S+ 0 0 35 -4,-2.6 4,-2.5 1,-0.2 5,-0.4 0.841 107.9 54.6 -65.7 -33.3 46.4 21.1 20.1 42 42 A L H < S+ 0 0 0 -4,-1.8 17,-2.5 -5,-0.2 18,-0.4 0.820 108.0 49.6 -70.7 -29.0 43.6 23.6 20.5 43 43 A C H < S+ 0 0 0 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.872 120.4 34.9 -75.6 -37.6 41.8 22.2 17.5 44 44 A T H < S- 0 0 28 -4,-1.8 -2,-0.2 130,-0.2 -3,-0.2 0.734 94.1-137.6 -89.7 -24.5 42.1 18.6 18.6 45 45 A G >< + 0 0 25 -4,-2.5 3,-1.1 12,-0.2 12,-0.2 0.549 59.4 135.1 76.9 10.4 41.7 19.1 22.4 46 46 A M T 3 + 0 0 149 -5,-0.4 -4,-0.1 1,-0.2 -1,-0.1 0.086 55.6 66.4 -81.5 24.0 44.5 16.6 23.0 47 47 A A T 3 S- 0 0 43 10,-0.4 2,-0.2 -6,-0.4 -1,-0.2 0.371 93.1-135.6-122.3 -0.4 46.4 18.7 25.6 48 48 A G < - 0 0 41 -3,-1.1 9,-3.0 9,-0.2 -1,-0.3 -0.578 47.4 -12.9 89.4-145.3 43.8 18.7 28.5 49 49 A T B S-I 56 0B 92 7,-0.3 2,-0.1 -2,-0.2 5,-0.1 -0.695 74.7 -87.9-102.0 155.4 42.7 21.6 30.6 50 50 A G > - 0 0 3 5,-3.9 4,-1.9 -2,-0.3 39,-0.1 -0.334 26.0-139.9 -64.1 133.9 44.1 25.1 31.1 51 51 A K T 4 S+ 0 0 168 37,-0.4 -1,-0.1 2,-0.2 38,-0.1 0.946 102.0 22.0 -55.6 -54.5 46.8 25.6 33.7 52 52 A I T 4 S+ 0 0 135 1,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.874 133.5 38.5 -85.1 -40.2 45.4 28.9 34.9 53 53 A S T 4 S- 0 0 46 2,-0.1 -2,-0.2 39,-0.0 -1,-0.1 0.684 86.4-144.9 -85.4 -21.8 41.8 28.7 33.7 54 54 A G < + 0 0 52 -4,-1.9 -3,-0.1 1,-0.2 -5,-0.0 0.699 59.4 124.8 63.5 16.7 41.2 25.1 34.5 55 55 A K S S- 0 0 102 1,-0.1 -5,-3.9 -7,-0.0 -1,-0.2 -0.757 74.2 -78.2-107.1 155.4 39.0 25.0 31.4 56 56 A P B -I 49 0B 80 0, 0.0 2,-1.7 0, 0.0 -7,-0.3 -0.255 37.7-132.8 -54.0 128.1 39.3 22.6 28.3 57 57 A L + 0 0 5 -9,-3.0 -10,-0.4 -12,-0.2 2,-0.3 -0.626 67.2 101.5 -83.9 78.1 42.1 23.7 25.9 58 58 A H - 0 0 59 -2,-1.7 -15,-0.2 2,-0.1 -16,-0.1 -0.924 68.0-135.4-171.3 135.8 40.1 23.4 22.7 59 59 A Y > + 0 0 0 -17,-2.5 3,-2.7 -2,-0.3 111,-0.3 0.605 62.6 122.6 -60.2 -20.7 38.2 25.4 20.1 60 60 A K T 3 S+ 0 0 99 -18,-0.4 111,-0.2 1,-0.3 -2,-0.1 -0.262 86.7 7.7 -52.0 120.6 35.1 23.1 19.8 61 61 A G T 3 S+ 0 0 46 109,-2.7 -1,-0.3 1,-0.3 110,-0.1 0.246 100.6 121.8 91.9 -15.2 32.1 25.2 20.6 62 62 A S < - 0 0 10 -3,-2.7 108,-2.6 108,-0.2 -1,-0.3 -0.227 50.6-134.2 -74.4 174.2 33.9 28.5 20.7 63 63 A T B -D 169 0A 24 14,-0.4 2,-0.8 106,-0.2 13,-0.7 -0.662 19.2-110.6-126.8 175.2 33.0 31.4 18.4 64 64 A F E +E 75 0A 3 104,-1.5 104,-0.3 -2,-0.2 11,-0.3 -0.953 40.8 175.8-105.2 98.8 34.2 34.1 16.0 65 65 A H E + 0 0 9 -2,-0.8 2,-0.4 9,-0.7 10,-0.2 0.485 59.6 43.8 -86.1 -8.0 33.3 37.0 18.3 66 66 A R E +E 74 0A 94 8,-1.4 8,-3.3 97,-0.2 2,-0.4 -0.986 57.7 174.7-144.3 127.9 34.8 39.8 16.1 67 67 A V E -E 73 0A 2 95,-2.2 2,-0.6 -2,-0.4 6,-0.2 -0.999 12.1-161.4-135.0 130.2 34.6 40.4 12.3 68 68 A I E >> -E 72 0A 45 4,-3.2 3,-2.3 -2,-0.4 4,-1.5 -0.951 25.8-124.2-115.3 112.6 36.0 43.4 10.5 69 69 A K T 34 S+ 0 0 104 -2,-0.6 86,-0.1 1,-0.3 82,-0.0 -0.275 95.4 10.1 -54.3 130.6 34.5 44.0 7.0 70 70 A N T 34 S+ 0 0 99 1,-0.1 -1,-0.3 81,-0.1 57,-0.1 0.399 132.8 48.2 77.3 0.5 37.4 44.1 4.4 71 71 A F T <4 S- 0 0 52 -3,-2.3 56,-2.4 1,-0.3 57,-0.5 0.669 101.1 -36.3-133.3 -58.1 40.1 42.9 6.9 72 72 A M E < -EF 68 126A 19 -4,-1.5 -4,-3.2 54,-0.3 2,-0.4 -0.975 29.8-126.7-164.6 175.8 39.7 39.9 9.2 73 73 A I E -EF 67 125A 0 52,-1.4 52,-2.2 -2,-0.3 2,-0.4 -0.990 27.1-156.1-134.4 137.3 37.7 37.6 11.4 74 74 A Q E +EF 66 124A 16 -8,-3.3 -8,-1.4 -2,-0.4 -9,-0.7 -0.960 24.4 138.5-123.9 139.0 38.8 36.7 15.0 75 75 A G E +EF 64 123A 0 48,-2.2 48,-1.9 -2,-0.4 -11,-0.2 -0.710 23.7 104.5-150.0-162.1 38.1 33.8 17.2 76 76 A G + 0 0 0 -13,-0.7 2,-1.5 46,-0.3 3,-0.1 0.345 43.7 128.8 98.4 -8.3 39.7 31.4 19.7 77 77 A D + 0 0 2 -14,-0.4 4,-0.5 1,-0.2 -14,-0.4 -0.644 21.6 161.8 -84.5 90.0 38.4 32.8 23.0 78 78 A F + 0 0 36 -2,-1.5 -1,-0.2 1,-0.1 -2,-0.0 0.501 67.9 48.3 -88.4 -4.0 37.1 29.6 24.6 79 79 A T S S+ 0 0 35 -3,-0.1 -1,-0.1 -24,-0.1 -2,-0.1 0.823 131.5 7.0-102.8 -38.8 36.9 30.8 28.2 80 80 A K S S- 0 0 129 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.575 80.4-146.1-117.9 -20.8 35.1 34.2 28.0 81 81 A G S S+ 0 0 16 -4,-0.5 -3,-0.1 1,-0.1 -4,-0.0 0.690 78.9 80.4 59.3 26.5 34.0 34.3 24.3 82 82 A D S S- 0 0 63 -7,-0.0 -1,-0.1 81,-0.0 -4,-0.0 0.254 112.6 -86.6-141.8 6.5 34.4 38.1 23.9 83 83 A G S S+ 0 0 6 -6,-0.1 39,-0.1 -17,-0.0 -8,-0.0 0.232 110.8 87.1 105.5 -13.5 38.1 38.7 23.4 84 84 A T S S+ 0 0 90 -7,-0.1 2,-0.1 -4,-0.0 0, 0.0 0.522 86.0 50.6 -96.0 -6.8 39.2 38.9 27.1 85 85 A G + 0 0 17 2,-0.0 36,-0.3 -8,-0.0 37,-0.2 -0.135 52.7 105.4-111.7-152.4 39.8 35.2 27.6 86 86 A G - 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