==== 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 ISOMERASE 07-JUN-00 1F40 . COMPND 2 MOLECULE: FK506 BINDING PROTEIN (FKBP12); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.SICH,S.IMPROTA,D.J.COWLEY,C.GUENET,J.P.MERLY,M.TEUFEL, . 107 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6096.0 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 52 0, 0.0 76,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-159.0 -8.3 -5.8 -14.6 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 -4.9 -4.3 -13.8 3 3 A Q E -A 75 0A 105 72,-1.8 72,-2.4 -2,-0.3 2,-0.5 -0.991 8.4-153.0-117.2 130.1 -2.3 -3.7 -16.5 4 4 A V E +A 74 0A 38 -2,-0.4 2,-0.5 70,-0.2 70,-0.2 -0.918 15.2 179.5-109.5 117.1 1.4 -3.8 -15.3 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 3.7 -1.7 -17.5 6 6 A T E +A 72 0A 82 -2,-0.5 66,-0.3 66,-0.3 64,-0.0 -0.472 30.3 173.7 -75.7 139.9 7.4 -1.7 -16.4 7 7 A I E S+ 0 0 87 64,-3.2 65,-0.2 1,-0.5 -1,-0.2 0.741 82.6 3.4-101.5 -52.0 9.5 1.5 -15.7 8 8 A S E S-A 71 0A 54 63,-2.3 63,-2.8 61,-0.0 -1,-0.5 -0.997 86.4-109.8-138.9 139.1 12.6 -0.3 -14.4 9 9 A P - 0 0 108 0, 0.0 2,-0.1 0, 0.0 57,-0.0 -0.294 23.0-145.0 -67.9 154.8 13.2 -4.1 -14.2 10 10 A G - 0 0 22 60,-0.1 59,-0.3 61,-0.0 58,-0.2 -0.132 45.0 -78.7 -99.7-161.1 13.3 -6.1 -11.0 11 11 A D - 0 0 75 57,-2.2 58,-0.1 3,-0.2 4,-0.1 0.616 52.7-132.0 -82.4 -9.3 15.6 -9.2 -10.4 12 12 A G S S+ 0 0 48 56,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.594 91.3 60.4 73.1 9.8 13.3 -11.5 -12.3 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 71.8-137.7 -26.7 13.3 -14.2 -9.6 14 14 A T + 0 0 64 54,-0.2 54,-2.1 2,-0.0 -3,-0.2 -0.844 57.2 169.5-105.6 94.0 11.9 -12.9 -6.2 15 15 A F - 0 0 81 -2,-0.9 52,-0.2 52,-0.2 49,-0.1 -0.821 39.0-100.6-104.2 142.5 8.1 -12.5 -6.5 16 16 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.375 36.3-158.7 -68.6 146.7 5.9 -11.8 -3.5 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 3.9 -14.7 -2.0 18 18 A R T 3 S+ 0 0 214 -2,-0.3 33,-0.2 1,-0.3 3,-0.1 -0.225 118.8 26.8 -52.2 130.4 0.8 -14.7 0.2 19 19 A G T 3 S+ 0 0 42 31,-3.0 -1,-0.3 1,-0.4 2,-0.2 0.265 95.3 116.7 95.2 -14.0 1.7 -13.9 3.8 20 20 A Q < - 0 0 66 -3,-2.2 30,-2.5 30,-0.1 2,-0.6 -0.613 66.1-122.1 -86.2 149.4 4.7 -11.8 2.9 21 21 A T E -B 49 0A 30 86,-2.3 86,-2.7 28,-0.2 2,-0.5 -0.802 21.4-151.8 -89.9 120.3 5.0 -8.1 3.6 22 22 A C E -BC 48 106A 0 26,-3.1 26,-1.8 -2,-0.6 2,-0.6 -0.816 2.5-157.9 -93.4 131.0 5.6 -5.9 0.5 23 23 A V E +BC 47 105A 8 82,-2.5 81,-2.2 -2,-0.5 82,-1.4 -0.939 27.9 167.8-112.0 111.5 7.5 -2.7 1.1 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 6.7 -0.3 -1.7 25 25 A H E + C 0 102A 28 77,-2.1 77,-2.5 -2,-0.3 2,-0.3 -0.943 35.5 176.6-105.1 145.4 7.0 3.3 -2.7 26 26 A Y E - C 0 101A 27 -2,-0.4 13,-2.1 75,-0.2 14,-1.0 -0.988 31.2-165.7-145.8 156.1 4.0 4.6 -4.7 27 27 A T E -DC 38 100A 21 73,-1.8 73,-2.8 -2,-0.3 2,-0.5 -0.977 22.8-153.7-133.8 121.6 2.5 7.7 -6.3 28 28 A G E +DC 37 99A 0 9,-3.1 8,-2.8 -2,-0.4 9,-1.3 -0.912 17.2 178.8-101.2 131.8 -1.2 7.3 -7.2 29 29 A M E -DC 35 98A 44 69,-3.3 69,-3.2 -2,-0.5 6,-0.2 -0.861 27.8-125.0-132.3 152.2 -2.7 9.3 -10.1 30 30 A L E > - C 0 97A 24 4,-2.1 3,-2.4 -2,-0.3 67,-0.2 -0.560 49.5 -91.4 -80.6 164.6 -6.0 9.7 -11.8 31 31 A E T 3 S+ 0 0 144 65,-0.7 66,-0.1 1,-0.3 -1,-0.0 0.750 126.1 59.8 -58.1 -20.6 -6.1 9.2 -15.6 32 32 A D T 3 S- 0 0 128 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.357 122.6-102.0 -87.6 5.3 -5.4 12.9 -16.2 33 33 A G S < S+ 0 0 49 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.247 72.1 146.5 95.2 -10.4 -2.1 12.8 -14.3 34 34 A K - 0 0 117 -4,-0.1 -4,-2.1 -5,-0.1 2,-0.3 -0.471 45.0-135.4 -66.6 124.3 -3.5 14.4 -11.1 35 35 A K E +D 29 0A 104 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.590 25.8 177.2 -77.8 130.9 -1.7 12.9 -8.1 36 36 A F E - 0 0 48 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.589 68.2 -10.5-107.7 -17.8 -3.9 12.0 -5.2 37 37 A D E -D 28 0A 56 -9,-1.3 -9,-3.1 4,-0.0 -1,-0.4 -0.926 53.9-175.2-172.7 155.4 -1.2 10.6 -2.9 38 38 A S E > -D 27 0A 1 -2,-0.3 4,-0.6 -11,-0.3 -11,-0.2 -0.917 21.6-157.7-158.8 128.2 2.4 9.5 -2.8 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 -76.1 -20.5 4.6 7.8 -0.1 40 40 A R H >45S+ 0 0 58 -14,-1.0 3,-0.5 1,-0.2 -1,-0.2 0.924 95.3 53.2 -63.7 -36.7 7.6 9.3 -1.9 41 41 A D H 345S+ 0 0 107 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.815 113.1 43.1 -67.6 -28.6 6.3 12.7 -0.7 42 42 A R H 3<5S- 0 0 121 -4,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.612 102.4-139.4 -88.6 -10.1 6.3 11.3 2.9 43 43 A N T <<5 + 0 0 138 -4,-1.2 -3,-0.2 -3,-0.5 -2,-0.1 0.839 69.2 108.4 56.6 34.2 9.7 9.6 2.2 44 44 A K S -B 21 0A 60 -2,-0.3 3,-1.4 -28,-0.3 5,-0.4 -0.845 31.5-119.8 -92.5 126.7 0.8 -8.0 3.5 50 50 A L T 3 S+ 0 0 14 -30,-2.5 -31,-3.0 -2,-0.5 -30,-0.1 -0.450 94.0 15.4 -63.0 129.8 -0.1 -9.9 0.3 51 51 A G T 3 S+ 0 0 36 -2,-0.2 -1,-0.2 -33,-0.2 -33,-0.1 0.242 92.0 106.9 89.0 -4.2 -3.3 -11.9 0.6 52 52 A K S < S- 0 0 112 -3,-1.4 -2,-0.1 1,-0.0 -34,-0.0 0.526 84.0-124.7 -84.1 -3.1 -4.5 -10.2 3.8 53 53 A Q S S+ 0 0 173 -4,-0.2 -3,-0.1 1,-0.1 4,-0.1 0.883 75.4 119.1 64.5 39.6 -7.3 -8.2 1.9 54 54 A E + 0 0 95 -5,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.429 64.8 50.4-114.4 -0.7 -6.2 -4.8 3.2 55 55 A V S S- 0 0 31 -6,-0.1 2,-0.0 1,-0.1 26,-0.0 -0.788 101.1 -75.7-122.4 172.7 -5.4 -3.1 -0.1 56 56 A I >> - 0 0 21 -2,-0.3 4,-1.7 1,-0.1 3,-1.7 -0.348 44.1-111.5 -71.8 152.1 -7.4 -2.8 -3.3 57 57 A R H 3> S+ 0 0 142 24,-0.3 4,-1.9 1,-0.3 5,-0.2 0.819 115.1 59.0 -56.2 -35.9 -7.8 -5.9 -5.6 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 -66.6 -23.4 -5.7 -4.4 -8.5 59 59 A W H <>>S+ 0 0 12 -3,-1.7 4,-2.8 21,-0.3 5,-0.6 0.953 108.5 49.2 -74.5 -54.6 -2.8 -4.1 -6.0 60 60 A E H X5S+ 0 0 36 -4,-1.7 4,-0.6 1,-0.2 -2,-0.2 0.891 121.5 38.9 -46.0 -44.4 -3.0 -7.7 -4.7 61 61 A E H <5S+ 0 0 80 -4,-1.9 4,-0.4 -5,-0.2 -1,-0.2 0.866 121.1 42.0 -78.4 -35.3 -3.0 -8.8 -8.3 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 -84.1 -45.7 -0.5 -6.3 -9.7 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 -27.1 2.2 -6.2 -7.2 64 64 A A T 3< - 0 0 6 -2,-0.3 3,-2.3 -52,-0.2 36,-0.3 -0.720 45.1 -77.8 -94.7 155.0 10.0 -9.0 -8.7 68 68 A V T 3 S+ 0 0 36 -54,-2.1 -57,-2.2 -2,-0.3 -54,-0.2 -0.264 120.0 26.1 -57.7 130.2 12.1 -7.2 -6.1 69 69 A G T 3 S+ 0 0 33 34,-2.8 -1,-0.3 1,-0.3 2,-0.1 0.150 91.3 132.1 104.1 -12.5 13.6 -4.1 -7.5 70 70 A Q < - 0 0 19 -3,-2.3 33,-2.9 33,-0.1 2,-0.4 -0.404 39.8-161.9 -84.4 144.7 11.0 -3.5 -10.1 71 71 A R E +AE 8 102A 71 -63,-2.8 -64,-3.2 31,-0.3 -63,-2.3 -0.994 24.7 162.5-124.0 123.9 9.2 -0.2 -10.8 72 72 A A E -AE 6 101A 0 29,-2.6 29,-2.9 -2,-0.4 2,-0.6 -0.965 39.6-122.0-142.8 156.7 6.0 -0.4 -12.8 73 73 A K E -AE 5 100A 85 -68,-3.5 -68,-2.2 -2,-0.3 2,-0.6 -0.911 25.6-160.3-101.3 122.5 2.9 1.5 -13.7 74 74 A L E -AE 4 99A 0 25,-2.9 25,-2.4 -2,-0.6 2,-0.6 -0.912 2.0-161.8-106.2 114.5 -0.3 -0.3 -12.7 75 75 A T E -AE 3 98A 29 -72,-2.4 -72,-1.8 -2,-0.6 2,-0.5 -0.930 16.5-167.0 -98.7 120.4 -3.5 0.8 -14.5 76 76 A I E -AE 2 97A 0 21,-2.7 21,-2.3 -2,-0.6 -74,-0.2 -0.935 15.7-133.1-119.6 122.6 -6.4 -0.5 -12.5 77 77 A S > - 0 0 23 -76,-2.6 3,-2.6 -2,-0.5 6,-0.2 -0.428 31.9-107.8 -66.4 153.9 -10.1 -0.5 -13.6 78 78 A P G > >S+ 0 0 28 0, 0.0 5,-2.7 0, 0.0 3,-1.9 0.810 119.1 59.2 -55.2 -35.3 -12.7 0.8 -11.2 79 79 A D G 3 5S+ 0 0 117 1,-0.3 -22,-0.1 3,-0.2 5,-0.1 0.617 107.7 47.7 -70.0 -13.9 -14.0 -2.6 -10.4 80 80 A Y G < 5S+ 0 0 36 -3,-2.6 -22,-2.6 -79,-0.2 -1,-0.3 0.100 125.2 28.5-103.7 11.1 -10.5 -3.6 -9.2 81 81 A A T < 5S- 0 0 20 -3,-1.9 -24,-0.3 -24,-0.2 -4,-0.1 -0.018 131.7 -29.7-137.7-116.4 -10.2 -0.4 -7.1 82 82 A Y T >>5S- 0 0 83 13,-0.3 4,-2.3 1,-0.2 3,-1.1 0.332 73.0-164.3-102.7 4.2 -13.1 1.6 -5.4 83 83 A G T 34< - 0 0 21 -5,-2.7 11,-2.6 1,-0.3 12,-0.4 -0.149 62.9 -19.5 58.4-137.1 -15.9 0.8 -7.9 84 84 A A T 34 S+ 0 0 61 9,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.684 136.0 59.8 -82.3 -18.8 -18.9 3.0 -7.8 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 -43.9 -18.2 4.2 -4.2 86 86 A G < - 0 0 5 -4,-2.3 -1,-0.1 -8,-0.1 -2,-0.1 -0.383 47.2 -65.2 73.2-169.3 -14.9 5.8 -5.0 87 87 A H B >> -F 91 0B 79 4,-1.8 4,-2.1 -2,-0.1 3,-2.1 -0.955 66.2 -99.5-118.8 114.9 -13.0 7.0 -1.8 88 88 A P T 34 S- 0 0 113 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 0.052 100.9 -7.8 -48.2 122.4 -15.1 9.9 -0.2 89 89 A G T 34 S+ 0 0 93 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 -0.051 135.2 56.7 81.4 -27.1 -13.5 13.2 -1.2 90 90 A I T <4 S+ 0 0 91 -3,-2.1 -1,-0.2 -2,-0.5 -4,-0.0 0.881 105.1 31.7-102.9 -50.0 -10.4 11.7 -2.9 91 91 A I B < S-F 87 0B 11 -4,-2.1 -4,-1.8 -6,-0.1 -1,-0.3 -0.961 78.2-133.6-112.9 131.8 -11.3 9.2 -5.7 92 92 A P > - 0 0 67 0, 0.0 3,-1.1 0, 0.0 -10,-0.1 -0.310 38.7 -80.3 -67.1 163.0 -14.6 9.8 -7.7 93 93 A P T 3 S+ 0 0 79 0, 0.0 -9,-0.2 0, 0.0 -8,-0.1 -0.319 115.1 14.1 -55.3 144.5 -17.1 7.0 -8.5 94 94 A H T 3 S+ 0 0 129 -11,-2.6 2,-0.3 1,-0.2 -10,-0.1 0.672 89.3 162.3 62.3 27.2 -16.0 4.8 -11.4 95 95 A A < - 0 0 19 -3,-1.1 2,-0.4 -12,-0.4 -13,-0.3 -0.600 36.8-140.3 -81.9 132.4 -12.4 6.0 -11.6 96 96 A T - 0 0 34 -2,-0.3 -65,-0.7 -19,-0.1 2,-0.3 -0.768 27.5-149.0 -80.6 132.4 -9.5 4.2 -13.4 97 97 A L E -CE 30 76A 0 -21,-2.3 -21,-2.7 -2,-0.4 2,-0.5 -0.768 11.1-157.7-108.8 146.8 -6.4 4.6 -11.1 98 98 A V E -CE 29 75A 17 -69,-3.2 -69,-3.3 -2,-0.3 2,-0.4 -0.990 12.9-171.9-123.3 119.9 -2.8 4.7 -12.2 99 99 A F E -CE 28 74A 11 -25,-2.4 -25,-2.9 -2,-0.5 2,-0.7 -0.961 18.6-153.6-116.7 137.0 -0.2 3.8 -9.7 100 100 A D E +CE 27 73A 26 -73,-2.8 -73,-1.8 -2,-0.4 2,-0.4 -0.958 32.7 179.4-103.8 112.7 3.6 4.2 -10.1 101 101 A V E -CE 26 72A 0 -29,-2.9 -29,-2.6 -2,-0.7 2,-0.5 -0.962 22.2-167.0-126.7 132.3 4.8 1.5 -7.7 102 102 A E E -CE 25 71A 53 -77,-2.5 -77,-2.1 -2,-0.4 2,-0.9 -0.990 17.8-142.7-120.4 121.9 8.3 0.3 -6.9 103 103 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 -89.0 109.1 8.7 -2.9 -5.0 104 104 A L E - 0 0 64 -81,-2.2 2,-0.3 -2,-0.9 -1,-0.2 0.879 53.2 -14.0 -85.5 -43.3 11.6 -2.3 -2.6 105 105 A K E -C 23 0A 107 -82,-1.4 -82,-2.5 -37,-0.1 2,-0.4 -0.982 49.5-133.1-161.8 153.6 11.7 -5.2 -0.3 106 106 A L E C 22 0A 34 -2,-0.3 -84,-0.2 -84,-0.2 -86,-0.0 -0.976 360.0 360.0-120.0 133.2 9.9 -8.3 1.0 107 107 A E 0 0 115 -86,-2.7 -86,-2.3 -2,-0.4 -2,-0.0 -0.705 360.0 360.0-124.8 360.0 9.7 -8.8 4.7