==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 09-DEC-05 2D9F . COMPND 2 MOLECULE: FK506-BINDING PROTEIN 8 VARIANT; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.Z.M.RUHUL MOMEN,H.HIROTA,S.KOSHIBA,T.KIGAWA,S.YOKOYAMA, . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8448.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 61.5 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 . 38 28.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 1 0.7 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 . 22 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 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 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 . 0 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 1 A G 0 0 131 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-161.3 -23.1 -25.5 8.0 2 2 A S - 0 0 131 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.998 360.0-171.6-136.1 133.8 -21.9 -22.1 6.9 3 3 A S - 0 0 125 -2,-0.4 2,-0.2 1,-0.1 -1,-0.1 0.948 43.5-115.3 -85.0 -61.3 -21.7 -18.8 8.7 4 4 A G S S+ 0 0 60 1,-0.0 2,-0.7 0, 0.0 -1,-0.1 -0.643 82.9 49.3 164.5-100.8 -20.8 -16.3 6.0 5 5 A S - 0 0 128 -2,-0.2 2,-0.9 -3,-0.1 -2,-0.0 -0.631 62.4-162.0 -77.3 112.7 -17.6 -14.2 5.8 6 6 A S + 0 0 118 -2,-0.7 2,-0.2 1,-0.1 3,-0.2 -0.805 28.0 149.6-100.0 97.8 -14.7 -16.6 6.2 7 7 A G + 0 0 69 -2,-0.9 4,-0.1 1,-0.1 -1,-0.1 -0.568 9.0 140.7-129.0 70.7 -11.6 -14.5 7.1 8 8 A E S S+ 0 0 197 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.827 76.3 15.4 -77.8 -33.6 -9.3 -16.6 9.3 9 9 A E S S- 0 0 151 1,-0.4 0, 0.0 -3,-0.2 0, 0.0 -0.658 110.1 -39.0-128.8-175.3 -6.2 -15.3 7.6 10 10 A W - 0 0 71 -2,-0.2 2,-0.5 1,-0.1 -1,-0.4 0.118 68.0-102.4 -40.7 161.2 -5.0 -12.5 5.3 11 11 A L E -A 21 0A 85 10,-2.3 10,-1.2 -3,-0.1 2,-1.0 -0.812 23.7-131.6 -97.6 130.4 -7.4 -11.5 2.5 12 12 A D E +A 20 0A 81 -2,-0.5 8,-0.2 8,-0.2 6,-0.0 -0.689 24.5 179.6 -83.0 102.3 -6.7 -12.8 -1.0 13 13 A I S S+ 0 0 41 6,-1.3 -1,-0.2 -2,-1.0 7,-0.1 0.928 88.6 21.0 -67.3 -46.5 -7.0 -9.7 -3.3 14 14 A L S S- 0 0 75 5,-0.8 -1,-0.2 0, 0.0 -2,-0.1 0.755 103.5-126.0 -92.3 -29.9 -6.1 -11.6 -6.5 15 15 A G S S+ 0 0 48 4,-0.4 -3,-0.1 -4,-0.1 -2,-0.1 -0.050 90.9 90.2 108.9 -31.7 -7.0 -15.1 -5.1 16 16 A N S S- 0 0 86 1,-0.1 -4,-0.1 3,-0.1 0, 0.0 0.946 96.7-116.8 -62.3 -50.3 -3.7 -16.7 -5.9 17 17 A G S S+ 0 0 21 2,-0.2 -1,-0.1 -6,-0.1 -4,-0.1 0.119 89.3 96.9 133.5 -20.7 -2.1 -15.8 -2.6 18 18 A L S S+ 0 0 70 1,-0.2 2,-0.7 72,-0.1 71,-0.1 0.997 81.9 47.4 -60.1 -71.0 0.7 -13.5 -3.6 19 19 A L S S+ 0 0 0 71,-0.2 -6,-1.3 69,-0.1 -5,-0.8 -0.651 78.3 168.8 -78.9 113.3 -0.9 -10.1 -3.0 20 20 A R E -AB 12 89A 84 69,-1.1 69,-1.1 -2,-0.7 2,-0.3 -0.732 21.7-146.5-120.5 170.1 -2.6 -10.1 0.4 21 21 A K E -AB 11 88A 12 -10,-1.2 -10,-2.3 -2,-0.2 2,-0.4 -0.999 8.3-172.1-141.0 141.6 -4.2 -7.5 2.6 22 22 A K E - B 0 87A 83 65,-2.6 65,-3.0 -2,-0.3 2,-0.7 -0.889 21.6-138.8-138.3 105.6 -4.5 -7.1 6.4 23 23 A T E + B 0 86A 66 -2,-0.4 63,-0.3 63,-0.3 62,-0.1 -0.483 23.2 177.4 -65.5 105.8 -6.7 -4.4 7.9 24 24 A L E S+ 0 0 65 61,-1.6 62,-0.2 -2,-0.7 -1,-0.2 0.903 73.5 10.2 -76.5 -43.6 -4.6 -3.0 10.8 25 25 A V E S- B 0 85A 80 60,-2.8 60,-2.0 0, 0.0 -1,-0.3 -0.919 76.2-141.1-144.3 114.3 -7.1 -0.3 11.8 26 26 A P - 0 0 92 0, 0.0 59,-0.1 0, 0.0 54,-0.0 -0.275 21.3-124.3 -69.8 156.5 -10.6 0.0 10.4 27 27 A G - 0 0 26 1,-0.2 56,-0.1 57,-0.1 57,-0.1 -0.348 33.4 -76.3 -95.9 178.9 -12.2 3.4 9.7 28 28 A P - 0 0 79 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 -0.153 41.0-108.2 -69.7 167.1 -15.4 5.1 10.9 29 29 A P S S+ 0 0 141 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.691 117.9 57.1 -69.8 -18.9 -18.9 4.3 9.7 30 30 A G S S+ 0 0 71 2,-0.0 -3,-0.0 0, 0.0 0, 0.0 0.832 90.9 84.9 -81.4 -34.1 -19.0 7.6 7.7 31 31 A S + 0 0 23 -3,-0.2 2,-0.3 51,-0.1 50,-0.1 -0.016 58.2 179.9 -61.1 171.8 -15.9 6.9 5.7 32 32 A S - 0 0 76 48,-0.1 50,-1.7 50,-0.1 48,-0.1 -0.981 35.5 -68.9-167.7 165.4 -16.0 4.9 2.4 33 33 A R - 0 0 120 -2,-0.3 48,-0.2 48,-0.2 44,-0.0 -0.383 52.4-126.1 -66.1 137.7 -14.0 3.5 -0.5 34 34 A P - 0 0 31 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.125 26.3 -97.3 -69.8-170.1 -12.6 6.2 -2.9 35 35 A V > - 0 0 69 4,-0.0 3,-0.9 87,-0.0 2,-0.7 -0.846 28.0-110.5-116.5 153.1 -13.0 6.3 -6.6 36 36 A K T 3 S+ 0 0 124 -2,-0.3 29,-0.2 1,-0.2 3,-0.1 -0.719 102.0 35.1 -84.8 114.1 -10.8 5.2 -9.5 37 37 A G T 3 S+ 0 0 41 -2,-0.7 -1,-0.2 1,-0.4 2,-0.2 0.455 95.1 100.9 122.9 7.9 -9.4 8.2 -11.3 38 38 A Q S < S- 0 0 59 -3,-0.9 26,-1.6 24,-0.0 2,-0.8 -0.662 82.3 -85.0-116.4 173.0 -9.0 10.7 -8.5 39 39 A V E -CD 63 122A 18 83,-2.2 83,-2.3 -2,-0.2 2,-0.5 -0.699 46.3-173.2 -83.2 110.2 -6.0 11.9 -6.4 40 40 A V E -CD 62 121A 0 22,-2.1 22,-1.1 -2,-0.8 2,-0.6 -0.912 8.0-161.5-109.3 126.2 -5.5 9.6 -3.5 41 41 A T E +CD 61 120A 10 79,-2.3 78,-1.7 -2,-0.5 79,-1.2 -0.918 25.4 148.8-110.3 117.0 -3.0 10.4 -0.7 42 42 A V E -CD 60 118A 0 18,-2.3 18,-2.1 -2,-0.6 2,-0.6 -0.750 46.8-106.0-134.1-179.0 -1.8 7.5 1.5 43 43 A H E - 0 0 48 74,-0.7 2,-0.4 -2,-0.2 16,-0.1 -0.894 35.2-178.7-118.8 102.0 1.3 6.4 3.5 44 44 A L E -C 57 0A 6 13,-0.9 13,-2.2 -2,-0.6 2,-0.4 -0.846 3.7-175.1-103.2 134.3 3.2 3.6 1.9 45 45 A Q E -C 56 0A 39 -2,-0.4 70,-0.7 70,-0.3 2,-0.4 -0.948 11.7-151.9-132.9 113.2 6.3 2.1 3.6 46 46 A T E +CE 55 114A 0 9,-0.6 8,-1.3 -2,-0.4 9,-1.2 -0.664 23.2 166.1 -85.6 134.6 8.4 -0.5 1.9 47 47 A S E -CE 53 113A 26 66,-0.7 66,-2.8 -2,-0.4 6,-0.3 -0.988 37.3-107.4-151.0 138.2 10.3 -3.0 4.1 48 48 A L E - E 0 112A 30 4,-1.2 3,-0.3 -2,-0.3 64,-0.2 -0.290 38.0-108.5 -63.2 146.9 12.2 -6.3 3.5 49 49 A E S S+ 0 0 175 62,-0.9 -1,-0.1 1,-0.3 63,-0.1 0.782 124.0 50.6 -45.6 -29.1 10.5 -9.4 4.9 50 50 A N S S- 0 0 113 2,-0.1 -1,-0.3 0, 0.0 62,-0.0 0.920 130.5 -90.2 -77.0 -46.9 13.3 -9.3 7.4 51 51 A G S S+ 0 0 56 -3,-0.3 2,-0.9 1,-0.1 -2,-0.1 0.519 75.6 139.1 139.4 31.6 12.8 -5.7 8.5 52 52 A T - 0 0 80 -4,-0.2 -4,-1.2 0, 0.0 2,-0.1 -0.778 46.4-141.9-105.0 89.6 15.0 -3.6 6.3 53 53 A R E -C 47 0A 167 -2,-0.9 -6,-0.3 -6,-0.3 3,-0.1 -0.282 19.5-176.8 -52.1 115.5 13.0 -0.5 5.4 54 54 A V E - 0 0 39 -8,-1.3 2,-0.3 1,-0.3 -1,-0.2 0.854 64.7 -7.8 -84.1 -38.9 13.9 0.3 1.8 55 55 A Q E -C 46 0A 45 -9,-1.2 -9,-0.6 49,-0.1 2,-0.3 -0.963 53.9-149.6-152.9 166.5 11.9 3.5 1.5 56 56 A E E -C 45 0A 110 -2,-0.3 -11,-0.2 -11,-0.2 -9,-0.0 -0.843 9.0-175.1-148.2 106.1 9.4 5.7 3.4 57 57 A E E +C 44 0A 69 -13,-2.2 -13,-0.9 -2,-0.3 3,-0.5 -0.859 6.0 174.6-107.0 102.6 6.8 7.8 1.6 58 58 A P E S+ 0 0 85 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.932 82.1 33.0 -69.8 -48.2 4.8 9.9 4.1 59 59 A E E S+ 0 0 101 -16,-0.1 2,-0.5 2,-0.0 -16,-0.2 -0.647 79.3 173.0-112.4 73.5 2.8 11.9 1.5 60 60 A L E -C 42 0A 9 -18,-2.1 -18,-2.3 -2,-0.6 2,-0.4 -0.716 6.1-179.7 -85.8 122.6 2.3 9.4 -1.3 61 61 A V E +C 41 0A 49 -2,-0.5 2,-0.3 -20,-0.2 -20,-0.2 -0.940 9.6 147.7-124.7 146.1 -0.0 10.7 -4.1 62 62 A F E -C 40 0A 10 -22,-1.1 -22,-2.1 -2,-0.4 2,-1.0 -0.981 49.7 -96.7-165.2 167.1 -1.2 9.1 -7.3 63 63 A T E > -C 39 0A 50 -2,-0.3 3,-1.0 -24,-0.2 5,-0.4 -0.780 42.0-135.2 -98.6 94.5 -4.0 8.8 -9.8 64 64 A L T 3 S+ 0 0 0 -26,-1.6 -27,-0.3 -2,-1.0 11,-0.0 -0.147 89.8 36.9 -47.4 134.3 -6.0 5.7 -8.9 65 65 A G T 3 S+ 0 0 32 -29,-0.2 -1,-0.2 -28,-0.1 -29,-0.1 0.535 100.9 78.3 96.7 8.7 -6.9 3.7 -12.0 66 66 A D S < S- 0 0 103 -3,-1.0 -2,-0.1 8,-0.0 -3,-0.0 0.226 94.3-126.4-129.3 8.7 -3.6 4.5 -13.8 67 67 A C + 0 0 70 1,-0.2 -3,-0.1 -4,-0.1 4,-0.1 0.836 56.6 151.6 45.6 37.1 -1.4 2.0 -11.9 68 68 A D + 0 0 104 -5,-0.4 2,-0.2 2,-0.1 -1,-0.2 0.547 62.5 41.7 -73.0 -6.2 0.9 5.0 -11.2 69 69 A V S S- 0 0 23 1,-0.2 5,-0.1 -6,-0.1 -7,-0.0 -0.762 110.7 -47.1-131.9 177.6 2.0 3.1 -8.1 70 70 A I >> - 0 0 33 -2,-0.2 4,-2.6 1,-0.2 3,-0.9 -0.012 48.9-123.8 -44.0 149.0 2.9 -0.4 -6.9 71 71 A Q T 34 S+ 0 0 90 23,-1.6 4,-0.4 1,-0.2 24,-0.2 0.662 113.9 53.6 -72.2 -15.8 0.5 -3.1 -8.0 72 72 A A T 34 S+ 0 0 0 22,-0.6 -1,-0.2 2,-0.1 23,-0.1 0.508 114.5 40.2 -94.6 -7.5 0.0 -4.1 -4.4 73 73 A L T X> S+ 0 0 2 -3,-0.9 4,-2.7 3,-0.1 3,-1.0 0.796 114.2 47.0-105.3 -46.8 -0.9 -0.5 -3.4 74 74 A D T 3< S+ 0 0 2 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.1 0.763 114.5 50.6 -67.9 -25.1 -3.1 0.6 -6.3 75 75 A L T 34 S+ 0 0 44 -4,-0.4 -1,-0.3 -5,-0.3 -2,-0.1 0.478 115.9 42.3 -90.2 -4.0 -5.0 -2.6 -6.0 76 76 A S T X4 S+ 0 0 0 -3,-1.0 3,-2.3 2,-0.1 -2,-0.2 0.704 97.7 71.3-109.4 -33.8 -5.5 -2.2 -2.3 77 77 A V G >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.3 -3,-0.1 0.935 101.0 46.7 -48.1 -55.2 -6.3 1.5 -2.1 78 78 A P G 3 S+ 0 0 35 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.430 107.1 62.8 -69.8 2.9 -9.8 0.9 -3.6 79 79 A L G < S+ 0 0 53 -3,-2.3 2,-0.3 1,-0.1 -2,-0.2 0.166 98.3 62.9-112.4 14.8 -10.1 -1.9 -1.2 80 80 A M S < S- 0 0 0 -3,-1.7 -48,-0.1 -48,-0.1 2,-0.1 -0.998 80.0-120.6-143.8 136.7 -9.9 0.2 1.9 81 81 A D > - 0 0 38 -2,-0.3 3,-1.9 -48,-0.2 2,-0.4 -0.376 46.4 -86.1 -73.3 152.5 -12.2 3.0 3.3 82 82 A V T 3 S+ 0 0 46 -50,-1.7 37,-0.2 1,-0.3 -1,-0.1 -0.428 118.5 24.9 -62.1 115.6 -10.8 6.5 3.9 83 83 A G T 3 S+ 0 0 39 35,-2.3 2,-0.5 -2,-0.4 -1,-0.3 0.496 94.0 117.3 107.1 7.6 -9.3 6.5 7.3 84 84 A E < - 0 0 15 -3,-1.9 34,-1.1 34,-0.2 2,-0.7 -0.938 57.6-140.7-113.7 123.5 -8.6 2.8 7.6 85 85 A T E +BF 25 117A 28 -60,-2.0 -60,-2.8 -2,-0.5 -61,-1.6 -0.716 29.4 172.1 -84.9 115.2 -5.0 1.5 7.9 86 86 A A E -BF 23 116A 0 30,-2.1 30,-1.9 -2,-0.7 -63,-0.3 -0.973 19.8-144.9-127.2 139.6 -4.5 -1.7 5.9 87 87 A M E -BF 22 115A 25 -65,-3.0 -65,-2.6 -2,-0.4 2,-0.4 -0.633 9.3-157.8 -99.7 159.2 -1.3 -3.6 5.1 88 88 A V E -BF 21 114A 0 26,-3.2 26,-2.3 -67,-0.2 2,-0.5 -0.994 8.5-172.4-141.3 132.2 -0.4 -5.5 1.9 89 89 A T E +BF 20 113A 41 -69,-1.1 -69,-1.1 -2,-0.4 2,-0.3 -0.884 21.4 155.3-128.3 101.1 2.1 -8.3 1.3 90 90 A A E - F 0 112A 3 22,-0.7 22,-1.0 -2,-0.5 -71,-0.2 -0.888 46.4 -91.8-124.6 155.6 2.7 -9.3 -2.3 91 91 A D >> - 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