==== 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 1FKG . 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.- . 107 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 75.7 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 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 . 2 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 . 11 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.8 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 1 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 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 . 1 0 1 1 0 2 0 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 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 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 53 0, 0.0 76,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-159.0 -15.6 15.8 8.2 2 2 A V E -A 76 0A 32 74,-0.2 2,-0.4 55,-0.1 74,-0.2 -0.927 360.0-152.5-127.3 142.6 -18.1 15.4 5.3 3 3 A Q E -A 75 0A 106 72,-1.8 72,-2.4 -2,-0.3 2,-0.5 -0.991 8.4-153.0-117.1 130.1 -19.0 12.1 3.8 4 4 A V E +A 74 0A 40 -2,-0.4 2,-0.5 70,-0.2 70,-0.2 -0.917 15.2 179.5-109.5 117.1 -20.1 12.2 0.1 5 5 A E E -A 73 0A 51 68,-2.2 68,-3.5 -2,-0.5 2,-0.2 -0.992 26.1-126.3-119.7 124.7 -22.4 9.3 -0.9 6 6 A T E +A 72 0A 81 -2,-0.5 66,-0.3 66,-0.3 64,-0.0 -0.471 30.3 173.7 -75.7 140.0 -23.6 9.3 -4.5 7 7 A I E S+ 0 0 85 64,-3.2 65,-0.2 1,-0.5 -1,-0.2 0.742 82.6 3.4-101.6 -52.0 -27.3 9.2 -5.6 8 8 A S E S-A 71 0A 54 63,-2.2 63,-2.8 61,-0.0 -1,-0.5 -0.997 86.4-109.8-138.9 139.0 -26.7 9.7 -9.3 9 9 A P - 0 0 106 0, 0.0 2,-0.1 0, 0.0 57,-0.0 -0.294 23.0-145.0 -67.7 154.7 -23.3 10.0 -11.1 10 10 A G - 0 0 23 60,-0.1 59,-0.3 61,-0.0 58,-0.2 -0.132 45.0 -78.8 -99.6-161.2 -21.9 13.2 -12.6 11 11 A D - 0 0 74 57,-2.2 58,-0.1 3,-0.2 4,-0.1 0.616 52.7-132.0 -82.5 -9.2 -19.7 13.4 -15.8 12 12 A G S S+ 0 0 50 56,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.594 91.3 60.4 73.1 9.7 -16.6 12.3 -13.9 13 13 A R S S+ 0 0 219 55,-0.2 2,-0.9 1,-0.2 -1,-0.1 0.570 80.5 71.9-137.7 -26.6 -14.5 15.2 -15.4 14 14 A T + 0 0 65 54,-0.2 54,-2.1 2,-0.0 -3,-0.2 -0.844 57.2 169.5-105.5 94.0 -15.8 18.7 -14.6 15 15 A F - 0 0 82 -2,-0.9 52,-0.2 52,-0.2 49,-0.1 -0.821 39.0-100.6-104.2 142.5 -15.1 19.4 -10.9 16 16 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.376 36.3-158.7 -68.6 146.7 -15.6 22.9 -9.4 17 17 A K > - 0 0 126 1,-0.1 3,-2.2 -2,-0.1 33,-0.3 -0.837 34.2 -77.0-121.5 156.2 -12.6 25.1 -8.8 18 18 A R T 3 S+ 0 0 218 -2,-0.3 33,-0.2 1,-0.3 3,-0.1 -0.225 118.9 26.8 -52.1 130.3 -12.0 28.0 -6.5 19 19 A G T 3 S+ 0 0 41 31,-3.0 -1,-0.3 1,-0.4 2,-0.2 0.265 95.3 116.7 95.3 -14.0 -13.6 31.1 -7.9 20 20 A Q < - 0 0 64 -3,-2.2 30,-2.5 30,-0.1 2,-0.6 -0.614 66.1-122.1 -86.2 149.4 -16.3 29.3 -9.9 21 21 A T E -B 49 0A 29 86,-2.3 86,-2.7 28,-0.2 2,-0.5 -0.802 21.4-151.8 -89.9 120.3 -20.0 29.6 -9.1 22 22 A C E -BC 48 106A 0 26,-3.1 26,-1.8 -2,-0.6 2,-0.6 -0.815 2.5-157.9 -93.5 131.0 -21.7 26.3 -8.3 23 23 A V E +BC 47 105A 8 82,-2.5 81,-2.2 -2,-0.5 82,-1.4 -0.939 27.9 167.8-112.0 111.4 -25.4 26.2 -9.2 24 24 A V E -BC 46 103A 0 22,-2.6 22,-2.9 -2,-0.6 2,-0.4 -0.898 36.8-142.3-129.6 154.4 -27.0 23.5 -7.0 25 25 A H E + C 0 102A 28 77,-2.1 77,-2.5 -2,-0.3 2,-0.3 -0.943 35.5 176.6-105.1 145.5 -30.3 22.1 -5.9 26 26 A Y E - C 0 101A 26 -2,-0.4 13,-2.1 75,-0.2 14,-1.0 -0.988 31.2-165.8-145.8 156.1 -30.4 21.0 -2.3 27 27 A T E -DC 38 100A 21 73,-1.8 73,-2.8 -2,-0.3 2,-0.5 -0.977 22.8-153.8-133.8 121.6 -32.6 19.6 0.5 28 28 A G E +DC 37 99A 0 9,-3.1 8,-2.8 -2,-0.4 9,-1.3 -0.912 17.2 178.8-101.2 131.9 -31.1 19.9 4.0 29 29 A M E -DC 35 98A 44 69,-3.3 69,-3.2 -2,-0.5 6,-0.2 -0.861 27.8-125.0-132.4 152.2 -32.2 17.4 6.7 30 30 A L E > - C 0 97A 23 4,-2.1 3,-2.4 -2,-0.3 67,-0.2 -0.560 49.5 -91.4 -80.5 164.6 -31.4 16.7 10.3 31 31 A E T 3 S+ 0 0 147 65,-0.7 66,-0.1 1,-0.3 -1,-0.0 0.749 126.1 59.8 -58.0 -20.6 -30.2 13.0 11.1 32 32 A D T 3 S- 0 0 127 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.357 122.6-102.0 -87.7 5.4 -33.8 12.0 11.8 33 33 A G S < S+ 0 0 47 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.245 72.1 146.5 95.1 -10.3 -35.0 12.9 8.2 34 34 A K - 0 0 115 -4,-0.1 -4,-2.1 -5,-0.1 2,-0.3 -0.471 44.9-135.4 -66.6 124.2 -36.6 16.2 9.2 35 35 A K E +D 29 0A 105 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.589 25.8 177.2 -77.9 130.8 -36.2 18.7 6.4 36 36 A F E - 0 0 44 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.589 68.2 -10.6-107.7 -17.9 -35.2 22.2 7.5 37 37 A D E -D 28 0A 57 -9,-1.3 -9,-3.1 4,-0.0 -1,-0.4 -0.926 53.9-175.2-172.7 155.4 -34.9 23.7 4.0 38 38 A S E > -D 27 0A 2 -2,-0.3 4,-0.6 -11,-0.3 -11,-0.2 -0.917 21.6-157.7-158.8 128.1 -34.9 22.9 0.2 39 39 A S H >>S+ 0 0 0 -13,-2.1 5,-1.5 -2,-0.3 4,-1.2 0.696 97.8 70.0 -75.9 -20.7 -34.3 25.0 -2.9 40 40 A R H >45S+ 0 0 53 -14,-1.0 3,-0.5 1,-0.2 -1,-0.2 0.924 95.3 53.2 -63.7 -36.6 -36.3 22.3 -4.7 41 41 A D H 345S+ 0 0 104 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.815 113.1 43.2 -67.6 -28.5 -39.4 23.6 -2.9 42 42 A R H 3<5S- 0 0 119 -4,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.612 102.4-139.4 -88.6 -10.1 -38.6 27.1 -4.2 43 43 A N T <<5 + 0 0 136 -4,-1.2 -3,-0.2 -3,-0.5 -2,-0.1 0.840 69.2 108.4 56.5 34.2 -37.8 25.7 -7.6 44 44 A K S -B 21 0A 58 -2,-0.3 3,-1.4 -28,-0.3 5,-0.4 -0.844 31.5-119.8 -92.5 126.7 -18.9 30.7 -5.3 50 50 A L T 3 S+ 0 0 14 -30,-2.5 -31,-3.0 -2,-0.5 -30,-0.1 -0.451 94.0 15.4 -62.9 129.8 -16.4 28.1 -4.2 51 51 A G T 3 S+ 0 0 34 -2,-0.2 -1,-0.2 -33,-0.2 -33,-0.1 0.241 92.0 107.0 89.0 -4.1 -13.6 29.4 -2.0 52 52 A K S < S- 0 0 112 -3,-1.4 -2,-0.1 1,-0.0 -34,-0.0 0.526 83.9-124.7 -84.1 -3.1 -15.3 32.6 -1.1 53 53 A Q S S+ 0 0 172 -4,-0.2 -3,-0.1 1,-0.1 4,-0.1 0.883 75.4 119.1 64.5 39.5 -16.2 31.5 2.5 54 54 A E + 0 0 95 -5,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.429 64.8 50.4-114.3 -0.8 -19.9 32.1 2.2 55 55 A V S S- 0 0 31 -6,-0.1 2,-0.0 1,-0.1 26,-0.0 -0.787 101.1 -75.7-122.4 172.7 -21.2 28.6 2.8 56 56 A I >> - 0 0 24 -2,-0.3 4,-1.7 1,-0.1 3,-1.7 -0.347 44.1-111.5 -71.8 152.1 -20.4 26.1 5.6 57 57 A R H 3> S+ 0 0 141 24,-0.3 4,-1.9 1,-0.3 5,-0.2 0.819 115.1 59.0 -56.2 -35.8 -17.1 24.2 5.5 58 58 A G H 3> S+ 0 0 0 22,-2.6 4,-1.6 2,-0.2 -1,-0.3 0.779 107.3 50.1 -66.7 -23.3 -18.6 20.8 4.8 59 59 A W H <>>S+ 0 0 9 -3,-1.7 4,-2.8 21,-0.3 5,-0.6 0.953 108.4 49.2 -74.6 -54.6 -20.1 22.3 1.6 60 60 A E H X5S+ 0 0 33 -4,-1.7 4,-0.6 1,-0.2 -2,-0.2 0.891 121.5 38.9 -46.0 -44.4 -16.8 23.9 0.3 61 61 A E H <5S+ 0 0 78 -4,-1.9 4,-0.4 -5,-0.2 -1,-0.2 0.865 121.0 42.0 -78.4 -35.3 -15.2 20.5 0.9 62 62 A G H ><5S+ 0 0 0 -4,-1.6 3,-1.2 -5,-0.2 -3,-0.2 0.929 112.6 47.1 -84.0 -45.7 -18.1 18.3 -0.3 63 63 A V H ><5S+ 0 0 0 -4,-2.8 3,-2.4 1,-0.2 -1,-0.2 0.875 103.0 66.1 -67.5 -27.2 -19.3 20.0 -3.4 64 64 A A T 3< - 0 0 5 -2,-0.3 3,-2.3 -52,-0.2 36,-0.3 -0.719 45.1 -77.9 -94.8 155.0 -18.6 16.5 -11.0 68 68 A V T 3 S+ 0 0 37 -54,-2.1 -57,-2.2 -2,-0.3 -54,-0.2 -0.263 120.0 26.2 -57.7 130.2 -21.3 18.3 -13.0 69 69 A G T 3 S+ 0 0 34 34,-2.8 -1,-0.3 1,-0.3 2,-0.1 0.152 91.3 132.0 104.2 -12.6 -24.5 16.3 -13.1 70 70 A Q < - 0 0 19 -3,-2.3 33,-2.9 33,-0.1 2,-0.4 -0.405 39.8-161.9 -84.4 144.8 -23.9 14.5 -9.8 71 71 A R E +AE 8 102A 72 -63,-2.8 -64,-3.2 31,-0.3 -63,-2.2 -0.994 24.7 162.5-124.0 124.0 -26.4 14.1 -7.1 72 72 A A E -AE 6 101A 0 29,-2.6 29,-2.9 -2,-0.4 2,-0.6 -0.965 39.6-122.0-142.9 156.8 -25.0 13.1 -3.7 73 73 A K E -AE 5 100A 84 -68,-3.5 -68,-2.2 -2,-0.3 2,-0.6 -0.910 25.6-160.4-101.2 122.5 -25.8 13.0 0.0 74 74 A L E -AE 4 99A 0 25,-2.9 25,-2.4 -2,-0.6 2,-0.6 -0.911 2.0-161.8-106.0 114.5 -23.3 14.9 2.1 75 75 A T E -AE 3 98A 28 -72,-2.4 -72,-1.8 -2,-0.6 2,-0.5 -0.929 16.5-167.0 -98.7 120.4 -23.2 14.0 5.8 76 76 A I E -AE 2 97A 0 21,-2.7 21,-2.3 -2,-0.6 -74,-0.2 -0.934 15.8-133.1-119.6 122.6 -21.5 16.9 7.6 77 77 A S > - 0 0 24 -76,-2.6 3,-2.6 -2,-0.5 6,-0.2 -0.429 31.9-107.8 -66.3 154.0 -20.2 16.8 11.2 78 78 A P G > >S+ 0 0 29 0, 0.0 5,-2.7 0, 0.0 3,-1.9 0.810 119.1 59.2 -55.3 -35.2 -21.2 19.8 13.5 79 79 A D G 3 5S+ 0 0 119 1,-0.3 -22,-0.1 3,-0.2 5,-0.1 0.617 107.7 47.6 -70.0 -13.9 -17.6 21.2 13.4 80 80 A Y G < 5S+ 0 0 36 -3,-2.6 -22,-2.6 -79,-0.2 -1,-0.3 0.099 125.2 28.5-103.7 11.1 -17.9 21.4 9.6 81 81 A A T < 5S- 0 0 21 -3,-1.9 -24,-0.3 -24,-0.2 -4,-0.1 -0.017 131.7 -29.8-137.8-116.5 -21.3 23.0 9.8 82 82 A Y T >>5S- 0 0 84 13,-0.3 4,-2.3 1,-0.2 3,-1.1 0.331 73.0-164.2-102.6 4.1 -22.7 25.3 12.7 83 83 A G T 34< - 0 0 21 -5,-2.7 11,-2.6 1,-0.3 12,-0.4 -0.148 62.9 -19.5 58.4-137.1 -20.8 23.8 15.6 84 84 A A T 34 S+ 0 0 62 9,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.685 136.0 59.8 -82.3 -18.7 -22.0 24.6 19.1 85 85 A T T <4 S- 0 0 121 -3,-1.1 -2,-0.2 1,-0.1 -1,-0.2 0.913 80.1-171.2 -72.3 -44.0 -23.9 27.7 17.9 86 86 A G < - 0 0 5 -4,-2.3 -1,-0.1 -8,-0.1 -2,-0.1 -0.382 47.2 -65.2 73.4-169.2 -26.3 26.0 15.5 87 87 A H B >> -F 91 0B 79 4,-1.8 3,-2.1 -2,-0.1 4,-2.1 -0.955 66.2 -99.5-118.8 114.8 -28.4 28.4 13.4 88 88 A P T 34 S- 0 0 111 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 0.053 100.9 -7.8 -48.1 122.4 -30.8 30.3 15.8 89 89 A G T 34 S+ 0 0 92 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 -0.050 135.1 56.7 81.2 -27.0 -34.2 28.6 15.7 90 90 A I T <4 S+ 0 0 92 -3,-2.1 -1,-0.2 -2,-0.5 -4,-0.0 0.881 105.1 31.7-102.9 -50.0 -33.4 26.2 12.7 91 91 A I B < S-F 87 0B 10 -4,-2.1 -4,-1.8 -6,-0.1 -1,-0.3 -0.961 78.2-133.6-112.9 131.9 -30.4 24.0 13.5 92 92 A P > - 0 0 68 0, 0.0 3,-1.1 0, 0.0 -10,-0.1 -0.309 38.7 -80.3 -67.1 163.1 -29.7 22.9 17.2 93 93 A P T 3 S+ 0 0 77 0, 0.0 -9,-0.2 0, 0.0 -8,-0.1 -0.318 115.1 14.0 -55.3 144.5 -26.2 23.1 18.8 94 94 A H T 3 S+ 0 0 130 -11,-2.6 2,-0.3 1,-0.2 -10,-0.1 0.672 89.3 162.3 62.3 27.3 -23.9 20.2 17.8 95 95 A A < - 0 0 18 -3,-1.1 2,-0.4 -12,-0.4 -13,-0.3 -0.598 36.8-140.3 -81.8 132.3 -26.1 18.9 14.9 96 96 A T - 0 0 35 -2,-0.3 -65,-0.7 -19,-0.1 2,-0.3 -0.769 27.6-149.0 -80.5 132.4 -24.9 16.5 12.1 97 97 A L E -CE 30 76A 0 -21,-2.3 -21,-2.7 -2,-0.4 2,-0.5 -0.769 11.1-157.6-108.9 146.8 -26.5 17.8 8.9 98 98 A V E -CE 29 75A 17 -69,-3.2 -69,-3.3 -2,-0.3 2,-0.4 -0.990 12.9-171.9-123.2 120.0 -27.5 15.7 5.9 99 99 A F E -CE 28 74A 11 -25,-2.4 -25,-2.9 -2,-0.5 2,-0.7 -0.960 18.6-153.6-116.8 137.0 -27.7 17.5 2.5 100 100 A D E +CE 27 73A 25 -73,-2.8 -73,-1.8 -2,-0.4 2,-0.4 -0.958 32.7 179.4-103.8 112.7 -29.1 16.0 -0.7 101 101 A V E -CE 26 72A 0 -29,-2.9 -29,-2.6 -2,-0.7 2,-0.5 -0.962 22.2-166.9-126.8 132.3 -27.2 18.1 -3.2 102 102 A E E -CE 25 71A 52 -77,-2.5 -77,-2.1 -2,-0.4 2,-0.9 -0.990 17.8-142.7-120.4 121.9 -27.3 18.0 -7.0 103 103 A L E +C 24 0A 0 -33,-2.9 -34,-2.8 -2,-0.5 -79,-0.2 -0.767 28.4 170.3 -89.0 109.0 -24.5 19.9 -8.8 104 104 A L E - 0 0 63 -81,-2.2 2,-0.3 -2,-0.9 -1,-0.2 0.879 53.2 -14.0 -85.5 -43.3 -26.3 21.4 -11.9 105 105 A K E -C 23 0A 108 -82,-1.4 -82,-2.5 -37,-0.1 2,-0.4 -0.982 49.5-133.0-161.8 153.6 -24.0 23.8 -13.5 106 106 A L E C 22 0A 34 -2,-0.3 -84,-0.2 -84,-0.2 -86,-0.0 -0.976 360.0 360.0-120.1 133.2 -20.8 25.8 -13.0 107 107 A E 0 0 117 -86,-2.7 -86,-2.3 -2,-0.4 -2,-0.0 -0.704 360.0 360.0-124.7 360.0 -20.8 29.4 -14.0