==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CIS-TRANS ISOMERASE 05-AUG-93 1FKI . COMPND 2 MOLECULE: FK506 BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.A.HOLT,J.I.LUENGO,D.S.YAMASHITA,H.-J.OH,A.L.KONIALIAN,H.- . 214 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11433.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 72.9 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 . 76 35.5 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 . 4 1.9 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 . 20 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 1 1 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 0 2 2 0 4 0 0 2 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 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 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 52 0, 0.0 76,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-153.6 18.8 -27.4 6.6 2 2 A V E -A 76 0A 25 74,-0.2 2,-0.4 55,-0.1 74,-0.2 -0.967 360.0-155.4-123.7 133.3 18.5 -28.6 2.9 3 3 A Q E -A 75 0A 137 72,-2.0 72,-2.2 -2,-0.4 2,-0.5 -0.949 8.7-152.0-105.1 132.7 21.4 -28.5 0.5 4 4 A V E -A 74 0A 49 -2,-0.4 2,-0.5 70,-0.2 70,-0.2 -0.949 13.4-177.4-106.8 122.7 20.4 -28.3 -3.2 5 5 A E E -A 73 0A 119 68,-2.5 68,-2.9 -2,-0.5 2,-0.3 -0.978 25.3-128.9-118.0 113.8 23.0 -29.8 -5.6 6 6 A T E +A 72 0A 72 -2,-0.5 66,-0.3 66,-0.2 -2,-0.0 -0.515 30.2 174.0 -74.8 129.2 22.1 -29.4 -9.3 7 7 A I E S- 0 0 35 64,-2.5 65,-0.2 1,-0.4 -1,-0.2 0.899 81.8 -0.2 -91.1 -56.0 22.1 -32.4 -11.7 8 8 A S E S-A 71 0A 21 63,-1.9 63,-2.5 61,-0.0 -1,-0.4 -0.992 83.2-116.7-137.7 138.9 20.6 -30.5 -14.7 9 9 A P - 0 0 106 0, 0.0 2,-0.2 0, 0.0 57,-0.0 -0.318 17.4-152.7 -77.1 153.3 19.5 -26.8 -14.8 10 10 A G - 0 0 21 60,-0.1 59,-0.2 -2,-0.0 58,-0.1 -0.335 52.5 -71.7 -99.1-160.8 16.0 -25.5 -15.3 11 11 A D - 0 0 69 57,-1.7 58,-0.1 -2,-0.2 4,-0.1 0.772 54.4-137.4 -72.1 -16.4 15.3 -22.1 -16.8 12 12 A G S S+ 0 0 44 2,-0.2 3,-0.1 56,-0.2 -1,-0.1 0.705 89.6 67.0 70.4 22.4 16.6 -20.3 -13.6 13 13 A R S S+ 0 0 203 1,-0.2 2,-0.7 55,-0.1 -1,-0.0 0.493 78.6 69.6-147.4 -20.6 13.6 -17.9 -13.8 14 14 A T + 0 0 62 54,-0.1 54,-1.7 0, 0.0 -2,-0.2 -0.918 62.3 170.2-108.6 99.9 10.3 -19.8 -13.2 15 15 A F - 0 0 89 -2,-0.7 52,-0.2 52,-0.2 49,-0.1 -0.851 39.5 -93.5-109.2 149.2 10.4 -20.7 -9.5 16 16 A P - 0 0 11 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.246 38.8-149.8 -65.9 147.4 7.3 -22.2 -7.6 17 17 A K > - 0 0 157 1,-0.1 3,-2.5 33,-0.0 33,-0.3 -0.880 32.3 -78.6-117.5 155.8 5.0 -19.8 -5.7 18 18 A R T 3 S+ 0 0 220 -2,-0.3 33,-0.2 1,-0.3 3,-0.1 -0.183 118.2 19.7 -48.8 127.0 2.9 -20.3 -2.6 19 19 A G T 3 S+ 0 0 42 31,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.299 94.9 122.4 91.9 -11.7 -0.3 -22.2 -3.5 20 20 A Q < - 0 0 54 -3,-2.5 30,-2.5 30,-0.1 2,-0.6 -0.560 65.1-120.3 -83.2 152.5 1.0 -23.6 -6.8 21 21 A T E -B 49 0A 29 86,-1.2 86,-2.1 28,-0.2 2,-0.4 -0.819 23.4-151.3 -91.6 119.0 1.0 -27.4 -7.4 22 22 A C E -BC 48 106A 0 26,-2.7 26,-1.8 -2,-0.6 2,-0.5 -0.825 4.3-155.5 -88.5 130.2 4.5 -28.6 -8.0 23 23 A V E +BC 47 105A 8 82,-2.6 81,-2.1 -2,-0.4 82,-1.6 -0.967 28.1 163.2-105.9 119.1 4.6 -31.7 -10.3 24 24 A V E -BC 46 103A 0 22,-3.0 22,-2.7 -2,-0.5 2,-0.4 -0.888 37.9-143.2-133.8 158.6 7.9 -33.7 -9.7 25 25 A H E + C 0 102A 19 77,-1.8 77,-2.6 -2,-0.3 2,-0.3 -0.958 37.5 172.5-110.8 146.3 9.5 -37.0 -10.2 26 26 A Y E - C 0 101A 25 -2,-0.4 13,-2.2 75,-0.2 14,-0.8 -0.995 32.6-152.8-149.1 161.7 11.7 -38.1 -7.3 27 27 A T E -DC 38 100A 5 73,-1.8 73,-2.8 -2,-0.3 2,-0.5 -0.996 20.1-150.5-133.6 128.5 13.8 -40.9 -5.7 28 28 A G E +DC 37 99A 0 9,-2.9 8,-2.8 -2,-0.4 9,-1.1 -0.894 23.3 169.3-102.6 130.2 14.2 -41.0 -2.0 29 29 A M E -DC 35 98A 5 69,-3.2 69,-2.7 -2,-0.5 6,-0.2 -0.901 34.8-123.7-138.8 154.4 17.4 -42.4 -0.5 30 30 A L E > - C 0 97A 34 4,-2.2 3,-2.4 -2,-0.3 67,-0.2 -0.560 56.6 -85.2 -82.6 171.2 19.3 -42.7 2.7 31 31 A E T 3 S+ 0 0 141 65,-0.7 66,-0.1 1,-0.3 -1,-0.0 0.723 127.2 61.6 -55.3 -24.2 22.9 -41.4 2.6 32 32 A D T 3 S- 0 0 121 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.388 120.3-105.1 -82.6 2.6 24.4 -44.6 1.2 33 33 A G < + 0 0 13 -3,-2.4 2,-0.4 1,-0.3 -2,-0.1 0.363 70.0 149.6 91.0 -6.2 22.2 -44.3 -1.9 34 34 A K - 0 0 116 -4,-0.1 -4,-2.2 1,-0.1 2,-0.3 -0.504 43.6-133.1 -67.0 126.0 19.8 -47.1 -0.8 35 35 A K E +D 29 0A 71 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.561 30.2 174.7 -86.8 126.8 16.4 -46.2 -2.3 36 36 A F E S- 0 0 48 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.523 71.0 -4.7-106.8 -11.3 13.4 -46.3 -0.0 37 37 A D E -D 28 0A 52 -9,-1.1 -9,-2.9 0, 0.0 -1,-0.4 -0.912 55.5-175.1-170.9 157.2 10.8 -45.0 -2.6 38 38 A S E > -D 27 0A 3 -2,-0.3 4,-0.5 -11,-0.2 -11,-0.2 -0.920 22.7-152.1-161.3 132.6 10.6 -43.5 -6.1 39 39 A S T >4>S+ 0 0 1 -13,-2.2 5,-1.9 -2,-0.3 3,-1.0 0.835 101.2 63.1 -74.1 -30.5 7.7 -42.0 -8.1 40 40 A R G >45S+ 0 0 65 -14,-0.8 3,-1.8 1,-0.3 -1,-0.2 0.938 94.5 60.9 -57.9 -42.3 9.5 -43.2 -11.2 41 41 A D G 345S+ 0 0 109 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.748 113.0 34.9 -63.4 -24.8 9.1 -46.7 -10.1 42 42 A R G <<5S- 0 0 131 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.345 108.2-128.8-106.4 13.3 5.4 -46.4 -10.1 43 43 A N T < 5 + 0 0 131 -3,-1.8 -3,-0.2 -4,-0.5 -2,-0.1 0.878 68.8 121.0 41.5 50.6 5.5 -44.1 -13.2 44 44 A K < - 0 0 120 -5,-1.9 -2,-0.2 0, 0.0 -1,-0.2 -0.978 62.8-126.9-137.5 121.4 3.4 -41.5 -11.6 45 45 A P - 0 0 40 0, 0.0 2,-0.4 0, 0.0 -20,-0.2 -0.355 25.4-125.8 -60.7 145.1 4.5 -37.9 -11.0 46 46 A F E -B 24 0A 69 -22,-2.7 -22,-3.0 -2,-0.0 2,-0.4 -0.817 26.3-166.2 -91.8 140.0 4.1 -36.7 -7.4 47 47 A K E +B 23 0A 95 -2,-0.4 2,-0.3 -24,-0.2 -24,-0.2 -0.984 13.4 163.4-127.0 140.3 2.2 -33.5 -7.0 48 48 A F E -B 22 0A 3 -26,-1.8 -26,-2.7 -2,-0.4 2,-0.6 -0.986 38.5-110.3-150.3 157.3 2.0 -31.3 -3.8 49 49 A M E > -B 21 0A 73 -2,-0.3 3,-1.9 -28,-0.2 5,-0.5 -0.800 32.2-127.9 -95.9 122.5 0.9 -27.7 -3.0 50 50 A L T 3 S+ 0 0 16 -30,-2.5 -31,-3.0 -2,-0.6 -30,-0.1 -0.462 96.7 23.0 -66.9 130.8 3.8 -25.5 -2.1 51 51 A G T 3 S+ 0 0 33 -33,-0.2 -1,-0.3 -2,-0.2 -33,-0.1 0.276 93.6 100.8 95.0 -12.2 2.9 -23.8 1.2 52 52 A K S < S- 0 0 124 -3,-1.9 -2,-0.1 1,-0.0 -34,-0.0 0.624 80.5-134.7 -79.7 -8.0 0.4 -26.5 2.4 53 53 A Q + 0 0 149 -4,-0.3 4,-0.1 1,-0.1 -3,-0.1 0.757 67.4 127.5 61.8 23.6 3.0 -28.2 4.7 54 54 A E + 0 0 106 -5,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.529 66.9 48.6 -89.7 -1.7 1.9 -31.6 3.4 55 55 A V S S- 0 0 26 -6,-0.2 5,-0.1 1,-0.1 -7,-0.0 -0.898 107.1 -76.7-128.2 159.5 5.5 -32.6 2.6 56 56 A I >> - 0 0 23 -2,-0.3 4,-1.9 1,-0.1 3,-1.4 -0.117 44.5-109.4 -57.2 156.3 8.6 -32.2 4.9 57 57 A R H 3> S+ 0 0 128 24,-0.3 4,-3.0 1,-0.3 5,-0.4 0.841 116.6 60.7 -58.4 -35.4 10.1 -28.8 5.4 58 58 A G H 3> S+ 0 0 0 22,-2.6 4,-1.5 1,-0.2 -1,-0.3 0.787 107.1 47.2 -62.4 -29.8 13.2 -29.7 3.4 59 59 A W H <> S+ 0 0 9 -3,-1.4 4,-2.3 21,-0.3 5,-0.4 0.878 112.2 49.3 -77.9 -41.8 11.0 -30.3 0.4 60 60 A E H X S+ 0 0 18 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.960 121.8 33.6 -65.7 -42.9 9.0 -27.1 0.9 61 61 A E H X S+ 0 0 80 -4,-3.0 4,-0.6 2,-0.2 -3,-0.2 0.899 121.1 49.9 -78.3 -35.5 12.2 -25.0 1.2 62 62 A G H >< S+ 0 0 0 -4,-1.5 3,-1.2 -5,-0.4 -3,-0.2 0.963 113.6 41.8 -67.1 -53.3 14.3 -27.0 -1.3 63 63 A V H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.809 104.2 67.7 -72.8 -25.8 11.8 -27.2 -4.1 64 64 A A H 3< S+ 0 0 39 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.2 0.784 101.7 50.1 -61.9 -20.1 10.9 -23.4 -3.6 65 65 A Q T << S+ 0 0 105 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.3 0.222 95.2 90.4-106.3 24.2 14.4 -22.7 -4.8 66 66 A M < - 0 0 0 -3,-2.0 2,-0.3 4,-0.1 36,-0.0 -0.827 64.8-143.5-112.6 148.6 14.2 -24.8 -7.9 67 67 A S > - 0 0 3 -2,-0.3 3,-2.1 -52,-0.2 36,-0.3 -0.799 40.3 -73.8-109.1 160.8 13.1 -23.6 -11.3 68 68 A V T 3 S+ 0 0 38 -54,-1.7 -57,-1.7 -2,-0.3 -56,-0.2 -0.229 119.3 21.1 -58.4 134.7 11.1 -25.6 -13.9 69 69 A G T 3 S+ 0 0 35 34,-3.1 -1,-0.3 1,-0.3 35,-0.1 0.221 92.7 132.9 89.1 -9.5 13.0 -28.4 -15.7 70 70 A Q < - 0 0 20 -3,-2.1 33,-2.2 33,-0.2 2,-0.4 -0.420 39.2-164.6 -73.4 144.5 15.7 -28.5 -12.9 71 71 A R E +AE 8 102A 10 -63,-2.5 -64,-2.5 31,-0.2 -63,-1.9 -0.998 22.0 167.9-125.6 127.3 16.8 -31.9 -11.5 72 72 A A E -AE 6 101A 0 29,-2.6 29,-2.9 -2,-0.4 2,-0.6 -0.933 38.2-124.4-141.6 161.6 18.6 -31.6 -8.2 73 73 A K E -AE 5 100A 61 -68,-2.9 -68,-2.5 -2,-0.3 2,-0.5 -0.957 28.1-159.0-107.9 116.5 19.8 -33.7 -5.3 74 74 A L E -AE 4 99A 0 25,-3.1 25,-2.4 -2,-0.6 2,-0.6 -0.921 4.3-161.6-100.5 125.1 18.5 -32.4 -2.0 75 75 A T E -AE 3 98A 24 -72,-2.2 -72,-2.0 -2,-0.5 2,-0.5 -0.926 16.1-167.4-106.7 114.2 20.3 -33.4 1.1 76 76 A I E -AE 2 97A 0 21,-3.0 21,-2.3 -2,-0.6 -74,-0.2 -0.871 15.9-137.0-114.6 123.4 18.0 -32.8 4.1 77 77 A S > - 0 0 26 -76,-2.7 3,-2.3 -2,-0.5 4,-0.2 -0.463 33.4-107.9 -69.4 152.2 19.0 -32.8 7.8 78 78 A P G > >S+ 0 0 23 0, 0.0 5,-2.5 0, 0.0 3,-1.8 0.788 116.3 63.3 -52.6 -33.4 16.5 -34.7 10.1 79 79 A D G 3 5S+ 0 0 112 1,-0.3 -22,-0.1 3,-0.2 5,-0.1 0.669 108.1 42.8 -70.7 -10.6 15.2 -31.5 11.7 80 80 A Y G < 5S+ 0 0 38 -3,-2.3 -22,-2.6 -79,-0.2 -21,-0.3 0.241 125.9 35.9-108.0 7.4 13.9 -30.6 8.3 81 81 A A T < 5S- 0 0 18 -3,-1.8 -24,-0.3 -4,-0.2 15,-0.1 0.215 129.5 -38.0-128.3-113.5 12.6 -34.1 7.6 82 82 A Y T >>5 - 0 0 78 13,-0.3 4,-1.5 1,-0.3 3,-1.2 0.329 68.4-162.1-109.7 8.0 11.1 -36.5 10.2 83 83 A G T 34< - 0 0 21 -5,-2.5 11,-3.2 1,-0.2 12,-0.5 -0.138 63.9 -17.6 53.2-132.6 13.3 -35.7 13.2 84 84 A A T 34 S+ 0 0 61 9,-0.3 -1,-0.2 1,-0.2 -5,-0.0 0.670 133.4 59.8 -81.3 -20.7 13.3 -38.3 16.0 85 85 A T T <4 S- 0 0 122 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.851 80.6-175.1 -77.3 -33.7 10.2 -40.1 15.0 86 86 A G < - 0 0 7 -4,-1.5 -1,-0.2 6,-0.2 -2,-0.1 -0.299 45.6 -64.4 68.6-157.1 11.4 -41.1 11.5 87 87 A H B >> -F 91 0B 81 4,-2.4 3,-2.6 -2,-0.0 4,-2.0 -0.927 66.2-101.5-130.6 106.8 9.0 -42.9 9.3 88 88 A P T 34 S- 0 0 115 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.091 96.6 -9.5 -40.6 108.0 8.0 -46.3 10.8 89 89 A G T 34 S+ 0 0 89 2,-0.2 -3,-0.0 1,-0.1 0, 0.0 0.452 136.1 55.9 86.1 -9.3 9.9 -49.2 9.2 90 90 A I T <4 S+ 0 0 80 -3,-2.6 -1,-0.1 1,-0.4 -4,-0.0 0.629 107.0 32.1-114.7 -63.0 11.4 -47.0 6.3 91 91 A I B < S-F 87 0B 10 -4,-2.0 -4,-2.4 -6,-0.0 -1,-0.4 -0.852 74.5-138.4-109.2 127.1 13.3 -44.1 7.8 92 92 A P > - 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