==== 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-MAR-92 1FKR . COMPND 2 MOLECULE: FK506 AND RAPAMYCIN-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.W.MICHNICK,M.K.ROSEN,T.J.WANDLESS,M.KARPLUS,S.L.SCHREIBER . 107 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6716.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 70 65.4 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 . 35 32.7 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 . 10 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 7.5 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 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 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 0 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 49 0, 0.0 76,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 59.1 -51.4 -30.3 58.1 2 2 A V E -A 76 0A 23 74,-0.2 2,-0.3 77,-0.1 74,-0.2 -0.876 360.0-154.9-116.8 150.2 -51.8 -32.7 61.0 3 3 A Q E -A 75 0A 118 72,-1.9 72,-1.5 -2,-0.3 2,-0.5 -0.893 6.5-145.8-124.1 155.0 -53.1 -36.3 60.9 4 4 A V E +A 74 0A 35 -2,-0.3 2,-0.7 70,-0.2 70,-0.2 -0.959 14.7 179.6-124.9 112.8 -54.8 -38.4 63.6 5 5 A E E -A 73 0A 87 68,-1.7 68,-1.9 -2,-0.5 -2,-0.0 -0.834 18.8-157.5-114.3 91.0 -54.0 -42.2 63.6 6 6 A T E +A 72 0A 52 -2,-0.7 66,-0.2 66,-0.2 -2,-0.0 -0.291 22.5 174.1 -69.8 154.8 -55.9 -43.7 66.4 7 7 A I E S+ 0 0 90 64,-2.2 65,-0.2 1,-0.0 -1,-0.1 0.605 78.8 25.7-123.6 -52.0 -54.9 -47.0 68.1 8 8 A S E S-A 71 0A 62 63,-1.5 63,-1.1 0, 0.0 -1,-0.0 -0.715 84.1-147.2-122.0 80.7 -57.4 -47.3 71.0 9 9 A P - 0 0 90 0, 0.0 2,-0.2 0, 0.0 57,-0.0 0.255 9.9-134.4 -37.0 166.7 -60.6 -45.4 70.3 10 10 A G - 0 0 19 60,-0.1 59,-0.2 4,-0.0 58,-0.1 -0.481 45.6 -69.0-115.8-172.7 -62.6 -43.8 73.1 11 11 A D - 0 0 84 57,-0.8 58,-0.1 -2,-0.2 56,-0.0 0.942 58.7-132.8 -44.7 -58.3 -66.3 -43.8 73.8 12 12 A G S S+ 0 0 44 2,-0.3 -1,-0.1 56,-0.1 3,-0.1 0.603 87.7 77.7 107.7 24.3 -67.0 -41.7 70.7 13 13 A R S S+ 0 0 213 1,-0.3 2,-0.4 55,-0.1 -2,-0.0 0.601 82.4 56.0-128.8 -37.6 -69.4 -39.3 72.6 14 14 A T + 0 0 62 54,-0.2 54,-1.7 3,-0.0 -2,-0.3 -0.874 54.2 158.9-111.1 138.3 -67.2 -36.9 74.6 15 15 A F - 0 0 82 -2,-0.4 2,-0.2 52,-0.2 52,-0.2 -0.791 55.1 -68.9-133.1 173.8 -64.4 -34.6 73.3 16 16 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 33,-0.0 -0.563 60.1-158.1 -61.5 134.6 -62.7 -31.5 74.7 17 17 A K > - 0 0 121 -2,-0.2 3,-1.7 -3,-0.0 2,-1.2 -0.688 30.2 -79.1-115.3 170.2 -65.3 -28.7 74.5 18 18 A R T 3 S+ 0 0 230 1,-0.3 33,-0.1 -2,-0.2 3,-0.1 -0.551 123.1 25.7 -73.6 97.0 -65.1 -24.9 74.4 19 19 A G T 3 S+ 0 0 54 -2,-1.2 -1,-0.3 1,-0.4 2,-0.2 0.480 100.9 111.0 122.8 19.0 -64.5 -23.9 78.0 20 20 A Q < - 0 0 59 -3,-1.7 30,-0.9 30,-0.1 2,-0.5 -0.696 60.6-132.0-115.8 170.1 -62.8 -27.2 79.1 21 21 A T E -B 49 0A 44 -2,-0.2 86,-2.3 28,-0.2 28,-0.3 -0.956 23.0-138.2-125.1 110.3 -59.3 -28.1 80.2 22 22 A C E -BC 48 106A 1 26,-2.2 26,-1.2 -2,-0.5 2,-0.5 -0.362 5.7-154.2 -69.8 149.3 -57.8 -31.2 78.6 23 23 A V E +BC 47 105A 27 82,-1.8 81,-2.7 24,-0.2 82,-1.4 -0.931 30.2 167.2-125.2 97.8 -55.9 -33.6 80.8 24 24 A V E -BC 46 103A 0 22,-2.0 22,-2.3 -2,-0.5 2,-0.5 -0.879 28.5-160.8-121.1 151.3 -53.5 -35.4 78.5 25 25 A H E + C 0 102A 46 77,-1.6 77,-1.2 -2,-0.3 2,-0.2 -0.984 29.8 154.8-130.2 116.5 -50.4 -37.7 78.9 26 26 A Y E - C 0 101A 26 -2,-0.5 13,-1.1 75,-0.2 2,-0.4 -0.766 37.0-139.8-134.0 179.3 -48.1 -38.0 75.9 27 27 A T E -DC 38 100A 55 73,-0.9 73,-1.7 -2,-0.2 2,-0.5 -0.981 22.0-144.7-141.9 126.1 -44.6 -38.8 74.8 28 28 A G E + C 0 99A 0 9,-0.7 8,-0.7 -2,-0.4 9,-0.4 -0.863 25.5 166.7-103.1 130.0 -43.1 -36.7 72.0 29 29 A M E -DC 35 98A 105 69,-2.5 69,-1.8 -2,-0.5 2,-0.2 -0.797 25.8-127.2-129.6 170.5 -40.7 -38.4 69.5 30 30 A L E - C 0 97A 24 4,-0.8 3,-0.2 -2,-0.3 67,-0.1 -0.661 46.7 -72.6-116.0 173.5 -39.3 -37.3 66.2 31 31 A E S S- 0 0 114 65,-0.5 66,-0.1 1,-0.2 64,-0.0 0.826 112.3 -33.3 -29.3 -61.8 -39.2 -39.0 62.8 32 32 A D S S+ 0 0 146 2,-0.0 -1,-0.2 -3,-0.0 -3,-0.0 -0.011 123.6 75.3-160.6 41.2 -36.6 -41.5 63.8 33 33 A G S S- 0 0 58 1,-0.3 2,-0.3 -3,-0.2 -2,-0.0 0.636 86.0 -65.4-119.4 -79.2 -34.2 -39.8 66.3 34 34 A K - 0 0 111 0, 0.0 -4,-0.8 0, 0.0 2,-0.3 -0.878 55.6 -55.2-160.5-167.7 -35.3 -39.2 69.9 35 35 A K E +D 29 0A 147 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.691 40.9 157.3 -90.8 139.4 -37.5 -37.4 72.4 36 36 A F E S+ 0 0 27 -8,-0.7 2,-0.4 -2,-0.3 -1,-0.2 0.534 77.2 33.0-126.0 -38.1 -37.7 -33.6 72.4 37 37 A D E S+ 0 0 25 -9,-0.4 -9,-0.7 53,-0.0 2,-0.2 -0.761 73.0 156.5-128.8 87.2 -41.1 -33.1 74.1 38 38 A S E -D 27 0A 54 -2,-0.4 -11,-0.2 -11,-0.2 -9,-0.0 -0.687 37.3-143.1-107.1 163.5 -42.0 -35.8 76.7 39 39 A S - 0 0 15 -13,-1.1 2,-0.4 -2,-0.2 -13,-0.1 -0.345 19.7-151.5-123.2 51.6 -44.5 -35.4 79.7 40 40 A R > - 0 0 186 1,-0.2 3,-2.4 2,-0.1 -13,-0.1 0.101 8.6-151.9 -28.6 73.7 -42.6 -37.5 82.3 41 41 A D G > S+ 0 0 84 -2,-0.4 3,-0.8 1,-0.3 -1,-0.2 0.683 80.3 86.2 -19.0 -58.2 -45.8 -38.5 84.1 42 42 A R G 3 S+ 0 0 184 1,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.680 95.6 42.9 -19.6 -45.3 -43.9 -38.8 87.4 43 43 A N G < S- 0 0 112 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.1 -0.471 135.0 -77.5-108.7 58.1 -44.5 -35.0 87.9 44 44 A K < - 0 0 135 -3,-0.8 -1,-0.2 -2,-0.4 3,-0.1 0.736 54.5 -99.3 56.3 127.1 -48.1 -35.0 86.7 45 45 A P - 0 0 35 0, 0.0 2,-0.3 0, 0.0 -20,-0.2 0.482 54.1 -70.8 -42.5-157.6 -49.0 -35.1 82.9 46 46 A F E -B 24 0A 73 -22,-2.3 -22,-2.0 -7,-0.1 2,-0.4 -0.855 42.1-168.1-111.0 144.7 -49.8 -32.0 80.9 47 47 A K E +B 23 0A 86 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 -0.970 17.0 153.9-137.0 122.0 -53.1 -30.0 81.2 48 48 A F E -B 22 0A 14 -26,-1.2 -26,-2.2 -2,-0.4 2,-0.3 -0.842 30.9-120.0-139.0 177.1 -54.3 -27.3 78.7 49 49 A M E > -B 21 0A 72 -28,-0.3 3,-0.7 -2,-0.3 2,-0.5 -0.851 25.2-111.4-121.3 156.9 -57.4 -25.5 77.4 50 50 A L T 3 S+ 0 0 43 -30,-0.9 -31,-0.3 -33,-0.4 -30,-0.1 -0.763 96.9 21.2 -90.9 120.3 -59.0 -25.1 73.9 51 51 A G T 3 S+ 0 0 64 -2,-0.5 -1,-0.2 -33,-0.1 -33,-0.0 0.572 94.3 95.0 103.2 12.7 -59.0 -21.6 72.4 52 52 A K S < S- 0 0 122 -3,-0.7 -3,-0.1 3,-0.0 -2,-0.1 -0.254 83.0-129.6-128.2 45.8 -56.1 -20.0 74.4 53 53 A Q + 0 0 181 1,-0.2 -3,-0.1 4,-0.0 3,-0.1 0.540 68.3 127.7 4.2 61.2 -53.2 -20.6 71.9 54 54 A E + 0 0 141 -5,-0.4 2,-0.3 2,-0.1 -1,-0.2 0.673 66.2 45.8-103.0 -30.0 -51.0 -22.2 74.7 55 55 A V S S- 0 0 21 -6,-0.2 -1,-0.1 1,-0.2 -3,-0.0 -0.824 98.9 -92.3-114.9 155.8 -50.2 -25.4 72.7 56 56 A I > - 0 0 23 -2,-0.3 4,-1.3 1,-0.1 -1,-0.2 0.111 40.1-109.8 -51.7-179.9 -49.2 -25.7 69.1 57 57 A R H >>S+ 0 0 95 23,-1.3 4,-2.4 24,-0.4 5,-0.6 0.966 110.6 68.4 -80.5 -58.6 -52.0 -26.3 66.5 58 58 A G H >5S+ 0 0 0 1,-0.2 4,-0.9 19,-0.2 5,-0.2 0.738 111.7 39.5 -28.3 -35.9 -51.3 -30.0 65.6 59 59 A W H >>S+ 0 0 7 3,-0.2 4,-1.5 2,-0.2 5,-0.7 0.964 110.9 52.7 -78.8 -75.7 -52.4 -30.6 69.2 60 60 A E H X5S+ 0 0 39 -4,-1.3 4,-1.2 1,-0.3 -2,-0.2 0.786 125.2 30.3 -25.9 -55.0 -55.3 -28.2 69.5 61 61 A E H X5S+ 0 0 60 -4,-2.4 4,-2.5 2,-0.2 -1,-0.3 0.959 126.4 46.6 -75.3 -54.7 -56.8 -29.6 66.4 62 62 A G H X<5S+ 0 0 0 -4,-1.5 3,-2.3 1,-0.2 -1,-0.2 0.881 114.6 53.6 -41.6 -49.9 -56.2 -33.5 70.7 64 64 A A H 3< - 0 0 2 -2,-0.2 3,-2.4 -52,-0.2 2,-0.5 -0.830 32.8 -84.6-115.3 150.6 -62.2 -38.4 72.6 68 68 A V T 3 S+ 0 0 37 -54,-1.7 -57,-0.8 -2,-0.3 -54,-0.2 -0.249 120.8 20.7 -49.2 99.6 -62.1 -38.9 76.3 69 69 A G T 3 S+ 0 0 48 34,-1.6 2,-0.3 -2,-0.5 -1,-0.3 0.477 99.8 120.5 114.0 9.3 -60.5 -42.3 76.8 70 70 A Q < - 0 0 21 -3,-2.4 33,-1.7 33,-0.3 -1,-0.4 -0.757 44.0-158.9-107.8 154.1 -58.8 -42.5 73.4 71 71 A R E +AE 8 102A 101 -63,-1.1 -64,-2.2 -2,-0.3 -63,-1.5 -0.986 19.6 163.7-131.5 140.1 -55.2 -42.9 72.5 72 72 A A E -AE 6 101A 0 29,-2.7 29,-0.9 -2,-0.4 2,-0.5 -0.890 39.5-121.2-148.4 177.6 -53.5 -42.0 69.2 73 73 A K E -AE 5 100A 86 -68,-1.9 -68,-1.7 -2,-0.3 2,-0.3 -0.966 34.7-169.6-126.5 105.3 -50.5 -41.3 67.2 74 74 A L E -AE 4 99A 0 25,-2.7 25,-1.5 -2,-0.5 2,-0.5 -0.699 11.4-151.5 -99.8 152.6 -50.6 -37.8 65.6 75 75 A T E -AE 3 98A 46 -72,-1.5 -72,-1.9 -2,-0.3 2,-0.4 -0.989 13.8-165.3-124.6 119.8 -48.2 -36.5 63.0 76 76 A I E -AE 2 97A 0 21,-2.4 21,-1.5 -2,-0.5 -74,-0.2 -0.893 2.8-157.0-112.1 140.3 -47.6 -32.7 63.0 77 77 A S >> - 0 0 27 -76,-0.5 3,-2.3 -2,-0.4 4,-2.2 -0.772 37.9 -95.5-111.1 155.5 -46.0 -30.7 60.1 78 78 A P T 34>S+ 0 0 43 0, 0.0 5,-2.0 0, 0.0 4,-0.2 0.825 118.0 68.0 -37.9 -51.6 -44.3 -27.3 60.4 79 79 A D T 345S+ 0 0 92 1,-0.2 5,-0.1 3,-0.1 -77,-0.1 0.825 120.9 18.3 -39.3 -41.3 -47.4 -25.3 59.4 80 80 A Y T <45S+ 0 0 69 -3,-2.3 -23,-1.3 -79,-0.2 -1,-0.2 0.850 117.5 65.4-100.8 -50.8 -49.0 -26.4 62.7 81 81 A A T <5S- 0 0 8 -4,-2.2 -24,-0.4 1,-0.2 -22,-0.1 0.888 132.1 -36.3 -37.1 -91.9 -46.1 -27.5 64.9 82 82 A Y T 5S- 0 0 114 -4,-0.2 2,-0.7 1,-0.1 3,-0.2 0.193 91.4 -99.6-125.2 13.1 -44.1 -24.3 65.6 83 83 A G S - 0 0 54 0, 0.0 3,-0.7 0, 0.0 -5,-0.2 -0.036 47.4 -73.2 -35.7 158.7 -34.2 -27.9 65.0 93 93 A P T 3 S- 0 0 79 0, 0.0 -8,-0.2 0, 0.0 -6,-0.1 -0.092 110.7 -1.5 -58.0 168.1 -35.5 -26.3 61.8 94 94 A H T 3 S+ 0 0 129 -10,-1.1 2,-0.6 1,-0.1 -9,-0.1 0.600 86.4 148.5 9.6 60.0 -38.1 -28.2 59.6 95 95 A A < - 0 0 35 -3,-0.7 -1,-0.1 -4,-0.1 -10,-0.0 -0.730 44.6-136.6-118.3 80.5 -38.1 -31.2 62.0 96 96 A T - 0 0 42 -2,-0.6 -65,-0.5 1,-0.1 2,-0.3 0.155 18.9-133.3 -29.4 145.1 -41.6 -32.6 61.9 97 97 A L E -CE 30 76A 2 -21,-1.5 -21,-2.4 -67,-0.1 2,-0.4 -0.826 15.2-161.7-111.1 151.8 -43.0 -33.5 65.3 98 98 A V E -CE 29 75A 29 -69,-1.8 -69,-2.5 -2,-0.3 2,-0.4 -0.992 7.4-171.9-134.1 125.3 -44.7 -36.8 66.3 99 99 A F E -CE 28 74A 5 -25,-1.5 -25,-2.7 -2,-0.4 2,-0.7 -0.942 16.6-160.7-120.3 139.8 -46.9 -37.2 69.4 100 100 A D E -CE 27 73A 61 -73,-1.7 -73,-0.9 -2,-0.4 2,-0.3 -0.919 33.6-177.7-117.6 98.8 -48.4 -40.4 70.9 101 101 A V E -CE 26 72A 0 -29,-0.9 -29,-2.7 -2,-0.7 2,-0.4 -0.729 28.7-161.6-108.5 153.6 -51.2 -38.9 73.1 102 102 A E E -CE 25 71A 74 -77,-1.2 -77,-1.6 -2,-0.3 2,-0.6 -0.939 16.3-147.2-128.0 104.4 -53.8 -40.2 75.5 103 103 A L E +C 24 0A 1 -33,-1.7 -34,-1.6 -2,-0.4 -33,-0.3 -0.650 24.2 175.4 -75.5 121.5 -56.6 -37.8 76.3 104 104 A L E - 0 0 64 -81,-2.7 2,-0.3 -2,-0.6 -80,-0.2 0.918 48.1 -32.7 -93.2 -57.9 -57.5 -38.7 79.9 105 105 A K E -C 23 0A 125 -82,-1.4 -82,-1.8 -37,-0.1 2,-0.4 -0.960 49.5-113.4-158.0 173.8 -60.1 -36.3 81.1 106 106 A L E C 22 0A 20 -2,-0.3 -84,-0.2 -84,-0.2 -59,-0.0 -0.921 360.0 360.0-117.6 143.2 -61.5 -32.8 81.0 107 107 A E 0 0 132 -86,-2.3 -85,-0.1 -2,-0.4 -87,-0.0 -0.411 360.0 360.0-134.6 360.0 -61.5 -30.3 83.9