==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 27-FEB-09 2KFV . COMPND 2 MOLECULE: FK506-BINDING PROTEIN 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.SUNNERHAGEN,T.DAVIS,A.GUTMANAS,C.FARES,H.OUYANG,A.LEMAK, . 73 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5279.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 45 61.6 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 . 2 2.7 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 . 0 0.0 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 . 5 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 42.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.7 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 0 2 1 0 0 0 1 0 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 20 A M > 0 0 202 0, 0.0 3,-1.1 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 -15.7 -1.5 -0.6 14.3 2 21 A A T 3 - 0 0 104 1,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.598 360.0 -10.6 -69.0 105.1 -2.7 -4.2 15.2 3 22 A A T 3 S+ 0 0 97 -2,-0.8 2,-0.6 1,-0.2 -1,-0.3 0.962 89.7 177.5 62.3 56.6 -5.0 -5.0 12.2 4 23 A A < - 0 0 33 -3,-1.1 -1,-0.2 69,-0.1 69,-0.1 -0.852 27.0-127.2 -92.1 116.3 -4.9 -1.4 10.7 5 24 A V - 0 0 100 -2,-0.6 2,-1.0 1,-0.1 -1,-0.0 -0.295 31.1 -97.4 -64.8 145.2 -6.9 -1.3 7.4 6 25 A P - 0 0 15 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.548 35.6-169.3 -74.8 98.4 -5.1 0.2 4.3 7 26 A Q - 0 0 170 -2,-1.0 2,-0.0 1,-0.0 -3,-0.0 -0.836 40.1-105.8 -78.3 117.1 -6.1 3.9 4.0 8 27 A R - 0 0 166 -2,-0.6 3,-0.1 1,-0.2 -1,-0.0 -0.292 30.1-163.9 -55.2 123.2 -4.7 4.8 0.5 9 28 A A S S+ 0 0 63 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.841 75.3 35.5 -76.2 -37.4 -1.6 7.0 1.0 10 29 A W S S- 0 0 59 15,-0.0 2,-0.1 2,-0.0 -1,-0.1 -0.880 80.0-129.3-120.9 148.1 -1.6 8.2 -2.6 11 30 A T > - 0 0 61 -2,-0.3 4,-1.9 -3,-0.1 5,-0.2 -0.356 37.9 -93.4 -87.2 175.3 -4.4 8.9 -5.0 12 31 A V H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.895 127.5 45.4 -55.9 -46.3 -4.9 7.6 -8.6 13 32 A E H > S+ 0 0 137 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.879 109.4 55.0 -66.9 -41.5 -3.1 10.7 -10.2 14 33 A Q H 4 S+ 0 0 87 2,-0.2 6,-0.4 1,-0.2 -1,-0.2 0.854 111.3 46.1 -60.2 -36.5 -0.3 10.6 -7.6 15 34 A L H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.962 109.3 52.1 -70.2 -51.4 0.4 6.9 -8.6 16 35 A R H < S+ 0 0 155 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.745 87.6 107.5 -57.3 -28.4 0.3 7.6 -12.4 17 36 A S >< - 0 0 35 -4,-1.6 3,-0.7 1,-0.2 -3,-0.0 -0.349 70.0-145.2 -53.9 122.2 2.8 10.4 -11.7 18 37 A E T 3 S+ 0 0 194 1,-0.2 -1,-0.2 -2,-0.1 4,-0.1 0.509 98.4 70.2 -71.1 -8.8 6.3 9.3 -13.1 19 38 A Q T 3 S+ 0 0 173 -5,-0.1 -1,-0.2 2,-0.1 -4,-0.1 0.903 88.8 68.7 -65.9 -47.9 7.7 11.2 -10.0 20 39 A L S < S- 0 0 23 -3,-0.7 -1,-0.1 -6,-0.4 5,-0.0 -0.668 91.9-130.2 -76.9 116.9 6.3 8.5 -7.7 21 40 A P - 0 0 68 0, 0.0 4,-0.4 0, 0.0 -2,-0.1 -0.096 8.4-125.5 -61.6 165.5 8.3 5.2 -8.3 22 41 A K S > S+ 0 0 78 2,-0.1 4,-2.1 1,-0.1 5,-0.2 0.750 100.2 69.8 -81.5 -25.9 6.6 1.7 -9.0 23 42 A K H > S+ 0 0 137 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.897 97.7 45.0 -64.8 -48.1 8.5 0.0 -6.1 24 43 A D H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.732 111.7 55.3 -73.3 -23.6 6.8 1.7 -3.1 25 44 A I H > S+ 0 0 0 -4,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.947 109.9 44.5 -66.9 -52.7 3.4 1.2 -4.8 26 45 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.844 111.6 55.7 -60.1 -34.7 4.0 -2.6 -5.1 27 46 A K H X S+ 0 0 99 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.945 109.2 46.1 -59.8 -50.3 5.3 -2.4 -1.5 28 47 A F H X S+ 0 0 28 -4,-1.9 4,-1.0 1,-0.2 5,-0.5 0.889 113.5 48.4 -58.8 -45.2 1.9 -0.9 -0.4 29 48 A L H X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.798 118.2 39.5 -72.0 -32.3 -0.1 -3.5 -2.3 30 49 A Q H < S+ 0 0 57 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.688 104.2 71.3 -85.5 -23.9 1.9 -6.5 -0.9 31 50 A E H < S- 0 0 111 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.1 0.845 128.6 -4.7 -58.4 -39.0 2.1 -4.9 2.6 32 51 A H H < S+ 0 0 52 -4,-1.0 41,-2.3 -5,-0.1 2,-0.3 0.588 103.8 107.1-132.6 -30.2 -1.7 -5.5 3.2 33 52 A G B < S-A 72 0A 2 -4,-0.9 39,-0.3 -5,-0.5 5,-0.1 -0.452 71.8-124.2 -59.3 120.2 -3.1 -7.0 -0.1 34 53 A S > - 0 0 40 37,-2.0 4,-2.2 -2,-0.3 3,-0.5 0.029 26.7 -87.6 -71.0 176.4 -3.7 -10.8 0.7 35 54 A D H > S+ 0 0 121 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.766 124.9 51.7 -58.6 -36.5 -2.3 -13.9 -1.2 36 55 A S H > S+ 0 0 62 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 111.3 48.2 -69.4 -40.7 -5.1 -14.1 -3.8 37 56 A F H > S+ 0 0 0 -3,-0.5 4,-2.1 34,-0.4 6,-0.2 0.938 114.0 46.6 -59.7 -49.3 -4.7 -10.4 -4.7 38 57 A L H <>S+ 0 0 21 -4,-2.2 6,-1.2 1,-0.2 5,-1.2 0.773 113.9 48.3 -67.7 -31.8 -0.9 -10.8 -5.0 39 58 A A H <5S+ 0 0 51 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.938 115.3 41.6 -73.7 -50.0 -1.3 -14.0 -7.1 40 59 A E H <5S+ 0 0 104 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.837 126.2 35.3 -67.2 -36.6 -3.9 -12.7 -9.7 41 60 A H T <5S- 0 0 28 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.438 104.6-130.1 -98.8 -5.0 -2.1 -9.3 -10.0 42 61 A K T 5 + 0 0 156 -4,-0.4 -3,-0.2 -3,-0.2 -4,-0.1 0.827 66.1 132.0 58.6 41.3 1.5 -10.9 -9.6 43 62 A L < + 0 0 1 -5,-1.2 -4,-0.1 -6,-0.2 -5,-0.1 0.346 40.7 103.6-102.7 0.9 2.5 -8.3 -6.9 44 63 A L + 0 0 87 -6,-1.2 2,-0.1 -9,-0.1 -14,-0.0 -0.406 65.8 23.3 -77.1 160.7 3.9 -11.1 -4.6 45 64 A G S S+ 0 0 51 -2,-0.1 2,-0.3 -15,-0.1 -15,-0.0 -0.447 109.7 9.6 89.3-158.7 7.7 -11.8 -4.1 46 65 A N > - 0 0 97 -2,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.456 64.1-144.0 -61.9 118.3 10.7 -9.6 -4.7 47 66 A I H > S+ 0 0 44 -2,-0.3 4,-2.8 1,-0.2 3,-0.1 0.887 100.2 47.7 -50.0 -51.9 9.5 -6.0 -5.3 48 67 A K H > S+ 0 0 148 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.857 108.8 54.3 -61.8 -38.6 12.2 -5.2 -7.9 49 68 A N H 4 S+ 0 0 102 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.861 115.9 40.0 -61.5 -38.3 11.6 -8.6 -9.7 50 69 A V H >X S+ 0 0 7 -4,-1.9 3,-1.3 -3,-0.1 4,-0.7 0.884 111.8 58.0 -73.5 -39.7 7.9 -7.4 -10.0 51 70 A A H 3< S+ 0 0 17 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.739 97.7 59.2 -69.3 -26.7 8.9 -3.8 -10.8 52 71 A K T 3< S+ 0 0 178 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.1 0.651 119.6 29.8 -76.8 -17.1 10.9 -4.7 -13.9 53 72 A T T <4 S+ 0 0 115 -3,-1.3 2,-0.5 -4,-0.2 -2,-0.2 0.288 101.9 100.6-121.0 2.3 7.8 -6.3 -15.5 54 73 A A < - 0 0 13 -4,-0.7 2,-0.3 4,-0.0 -32,-0.1 -0.814 57.4-157.9 -92.0 121.2 5.2 -3.9 -13.7 55 74 A N >> - 0 0 74 -2,-0.5 4,-1.2 1,-0.1 3,-0.7 -0.809 23.9-122.8 -93.4 145.9 3.8 -1.1 -15.8 56 75 A K H 3> S+ 0 0 36 -2,-0.3 4,-1.7 1,-0.2 3,-0.3 0.849 108.7 55.4 -59.6 -42.3 2.5 1.9 -13.7 57 76 A D H 3> S+ 0 0 104 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.811 106.4 51.9 -64.5 -32.4 -1.1 1.8 -15.2 58 77 A H H <> S+ 0 0 76 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.817 107.8 53.3 -68.4 -34.9 -1.5 -1.9 -14.2 59 78 A L H X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.3 -2,-0.2 0.832 108.8 47.8 -70.2 -35.3 -0.4 -0.9 -10.6 60 79 A V H X S+ 0 0 11 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.842 112.3 50.2 -71.7 -37.9 -3.1 1.8 -10.5 61 80 A T H X S+ 0 0 70 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.936 112.6 46.4 -61.5 -47.2 -5.6 -0.8 -11.8 62 81 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.885 111.8 52.9 -63.5 -41.6 -4.5 -3.2 -9.1 63 82 A Y H X S+ 0 0 10 -4,-2.0 4,-1.1 2,-0.2 3,-0.4 0.948 112.1 42.7 -55.8 -55.5 -4.7 -0.4 -6.5 64 83 A N H X S+ 0 0 69 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.880 114.8 49.8 -65.2 -41.1 -8.4 0.5 -7.4 65 84 A H H X S+ 0 0 78 -4,-2.3 4,-1.3 1,-0.2 6,-0.3 0.735 101.2 67.3 -68.8 -25.6 -9.5 -3.2 -7.6 66 85 A L H X>S+ 0 0 2 -4,-1.4 5,-1.5 -3,-0.4 4,-0.5 0.952 109.0 34.0 -57.6 -53.9 -7.9 -3.9 -4.2 67 86 A F H <5S+ 0 0 52 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.805 111.1 65.3 -73.1 -30.9 -10.4 -1.7 -2.3 68 87 A E H <5S+ 0 0 145 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.781 118.6 23.6 -66.5 -30.3 -13.2 -2.6 -4.7 69 88 A T H <5S- 0 0 72 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.326 103.1-124.5-117.0 2.6 -13.2 -6.3 -3.6 70 89 A K T <5 + 0 0 149 -4,-0.5 -3,-0.2 -3,-0.1 -4,-0.1 0.747 52.1 159.4 58.2 31.0 -11.5 -5.7 -0.1 71 90 A R < + 0 0 68 -5,-1.5 -37,-2.0 -6,-0.3 -34,-0.4 0.557 45.6 90.6 -62.8 -12.4 -8.8 -8.2 -1.1 72 91 A F B A 33 0A 37 -6,-0.5 -39,-0.3 -39,-0.3 -67,-0.0 -0.399 360.0 360.0 -77.2 161.7 -6.5 -6.6 1.6 73 92 A K 0 0 175 -41,-2.3 -69,-0.1 -2,-0.1 -70,-0.1 -0.997 360.0 360.0-119.0 360.0 -6.2 -7.6 5.3