==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 18-OCT-99 1D7J . COMPND 2 MOLECULE: PROTEIN (FK506-BINDING PROTEIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.BURKHARD,P.TAYLOR,M.D.WALKINSHAW . 214 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 74.8 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 . 24 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 8.4 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 2 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 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 50 0, 0.0 76,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-150.3 65.2 -18.9 -4.9 2 2 A V E -A 76 0A 29 74,-0.2 2,-0.5 55,-0.1 74,-0.2 -0.987 360.0-152.9-131.0 137.0 66.9 -15.6 -6.0 3 3 A Q E -A 75 0A 81 72,-2.3 72,-2.3 -2,-0.4 2,-0.6 -0.953 10.6-154.9-111.3 127.6 69.4 -15.1 -8.8 4 4 A V E -A 74 0A 39 -2,-0.5 2,-0.5 70,-0.2 70,-0.2 -0.919 11.4-176.7-106.9 119.0 71.8 -12.2 -8.4 5 5 A E E -A 73 0A 53 68,-2.6 68,-3.2 -2,-0.6 2,-0.1 -0.966 25.1-126.4-116.7 123.9 73.4 -10.7 -11.5 6 6 A T E +A 72 0A 88 -2,-0.5 66,-0.3 66,-0.2 64,-0.0 -0.418 30.3 170.9 -70.6 137.5 75.9 -7.9 -11.2 7 7 A I E S+ 0 0 81 64,-2.9 65,-0.2 1,-0.5 -1,-0.2 0.658 80.4 3.4-109.6 -38.2 75.3 -4.7 -13.1 8 8 A S E S-A 71 0A 53 63,-2.3 63,-2.5 0, 0.0 -1,-0.5 -0.978 85.0-113.9-150.2 131.9 78.1 -2.7 -11.4 9 9 A P - 0 0 108 0, 0.0 2,-0.1 0, 0.0 57,-0.0 -0.279 21.4-152.5 -68.5 151.1 80.6 -4.1 -8.9 10 10 A G - 0 0 23 60,-0.1 59,-0.3 61,-0.0 58,-0.1 -0.150 52.3 -69.8-100.1-155.8 80.8 -2.9 -5.3 11 11 A D - 0 0 72 57,-2.3 58,-0.1 3,-0.2 57,-0.0 0.571 57.8-136.0 -75.6 -11.6 84.0 -3.0 -3.2 12 12 A G S S+ 0 0 51 56,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.620 88.1 65.2 65.7 21.1 83.9 -6.8 -3.2 13 13 A R S S+ 0 0 215 1,-0.2 2,-0.8 55,-0.2 -1,-0.1 0.603 76.9 73.9-139.5 -35.4 84.8 -6.9 0.5 14 14 A T + 0 0 62 54,-0.2 54,-2.0 2,-0.0 -1,-0.2 -0.844 58.2 177.0 -97.1 103.9 82.0 -5.4 2.7 15 15 A F - 0 0 79 -2,-0.8 52,-0.2 52,-0.2 49,-0.1 -0.868 35.8-101.4-107.5 139.6 79.1 -7.8 2.8 16 16 A P - 0 0 5 0, 0.0 2,-0.3 0, 0.0 6,-0.0 -0.325 35.6-153.9 -59.7 136.3 75.9 -7.1 5.0 17 17 A K > - 0 0 131 1,-0.1 3,-2.4 4,-0.0 33,-0.3 -0.828 33.7 -83.9-112.2 151.4 75.7 -9.0 8.3 18 18 A R T 3 S+ 0 0 140 -2,-0.3 33,-0.2 1,-0.3 3,-0.1 -0.268 118.0 28.0 -52.2 131.6 72.5 -9.9 10.1 19 19 A G T 3 S+ 0 0 34 31,-2.7 -1,-0.3 1,-0.4 2,-0.2 0.218 92.5 117.7 99.4 -16.4 71.5 -7.0 12.2 20 20 A Q < - 0 0 59 -3,-2.4 30,-2.7 29,-0.1 2,-0.6 -0.534 66.9-119.4 -83.9 153.7 73.0 -4.3 10.0 21 21 A T E -B 49 0A 28 28,-0.3 86,-2.5 -2,-0.2 2,-0.4 -0.842 24.7-151.2 -95.2 123.1 70.8 -1.7 8.3 22 22 A C E -BC 48 106A 0 26,-3.1 26,-1.7 -2,-0.6 2,-0.6 -0.801 3.2-157.9 -94.9 132.6 71.1 -1.8 4.6 23 23 A V E +BC 47 105A 7 82,-2.2 81,-2.2 -2,-0.4 82,-1.2 -0.963 28.4 160.8-112.8 115.4 70.5 1.5 2.6 24 24 A V E -BC 46 103A 0 22,-2.8 22,-2.9 -2,-0.6 2,-0.4 -0.839 38.4-141.9-134.8 165.4 69.5 0.8 -0.9 25 25 A H E + C 0 102A 26 77,-1.6 77,-2.9 -2,-0.3 2,-0.3 -0.966 36.5 169.1-120.4 142.5 67.8 2.3 -4.0 26 26 A Y E - C 0 101A 18 -2,-0.4 13,-1.7 75,-0.2 14,-1.1 -0.974 31.9-153.4-152.4 166.4 65.7 -0.1 -6.0 27 27 A T E -DC 38 100A 21 73,-1.2 73,-2.2 -2,-0.3 2,-0.4 -0.984 19.9-151.9-142.4 122.8 63.1 -0.5 -8.8 28 28 A G E +DC 37 99A 0 9,-3.3 8,-2.8 -2,-0.4 9,-1.3 -0.876 18.4 175.0-103.2 138.5 60.7 -3.4 -8.7 29 29 A M E -DC 35 98A 42 69,-2.4 69,-2.5 -2,-0.4 6,-0.2 -0.934 27.5-122.4-138.5 156.1 59.3 -4.9 -11.9 30 30 A L E > - C 0 97A 23 4,-2.1 3,-2.6 -2,-0.3 67,-0.1 -0.427 49.6 -87.3 -87.9 172.6 57.1 -7.8 -12.9 31 31 A E T 3 S+ 0 0 136 65,-0.6 66,-0.1 1,-0.3 -1,-0.1 0.868 128.5 58.3 -48.7 -42.3 58.3 -10.4 -15.4 32 32 A D T 3 S- 0 0 122 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.430 121.1-105.6 -71.1 0.1 57.1 -8.3 -18.3 33 33 A G < + 0 0 48 -3,-2.6 2,-0.5 1,-0.3 -2,-0.1 0.466 69.7 149.0 90.0 0.1 59.2 -5.4 -17.2 34 34 A K - 0 0 125 1,-0.1 -4,-2.1 2,-0.0 -1,-0.3 -0.586 45.7-131.8 -72.5 119.8 56.3 -3.3 -15.9 35 35 A K E +D 29 0A 104 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.561 31.9 170.5 -72.4 134.1 57.6 -1.2 -13.0 36 36 A F E + 0 0 44 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.581 64.2 8.0-119.7 -18.2 55.5 -1.4 -9.9 37 37 A D E +D 28 0A 58 -9,-1.3 -9,-3.3 4,-0.0 -1,-0.4 -0.980 57.3 175.2-161.6 149.6 57.6 0.4 -7.3 38 38 A S E > -D 27 0A 3 -2,-0.3 4,-0.8 -11,-0.3 3,-0.3 -0.836 25.5-162.7-164.8 125.2 60.8 2.5 -7.1 39 39 A S H >>S+ 0 0 0 -13,-1.7 5,-1.7 -2,-0.3 4,-0.5 0.768 96.8 66.9 -75.1 -26.5 62.6 4.4 -4.4 40 40 A R H >45S+ 0 0 69 -14,-1.1 3,-0.6 1,-0.2 -1,-0.2 0.853 96.2 53.8 -62.3 -34.5 64.4 6.2 -7.2 41 41 A D H 345S+ 0 0 104 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.849 111.5 44.9 -68.4 -34.5 61.2 7.8 -8.3 42 42 A R H 3<5S- 0 0 127 -4,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.483 104.6-135.1 -85.8 -4.4 60.7 9.1 -4.7 43 43 A N T <<5 + 0 0 133 -3,-0.6 -3,-0.2 -4,-0.5 -2,-0.1 0.898 70.0 113.8 49.7 45.2 64.4 10.2 -4.6 44 44 A K < - 0 0 138 -5,-1.7 -2,-0.2 0, 0.0 -1,-0.2 -0.943 66.6-127.8-147.7 116.7 64.6 8.6 -1.2 45 45 A P - 0 0 43 0, 0.0 2,-0.3 0, 0.0 -20,-0.2 -0.318 24.3-126.6 -62.9 154.7 66.7 5.5 -0.3 46 46 A F E -B 24 0A 70 -22,-2.9 -22,-2.8 2,-0.0 2,-0.4 -0.806 21.4-158.3-105.0 142.6 65.0 2.7 1.4 47 47 A K E +B 23 0A 111 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 -0.961 17.4 161.7-123.8 144.5 66.4 1.2 4.7 48 48 A F E -B 22 0A 2 -26,-1.7 -26,-3.1 -2,-0.4 2,-0.6 -0.976 37.1-118.6-157.0 145.0 65.8 -2.2 6.3 49 49 A M E > -B 21 0A 66 -2,-0.3 3,-1.7 -28,-0.3 5,-0.4 -0.823 35.8-119.4 -90.7 121.0 67.6 -4.2 8.9 50 50 A L T 3 S+ 0 0 0 -30,-2.7 -31,-2.7 -2,-0.6 -33,-0.0 -0.320 94.6 22.5 -60.4 135.2 68.9 -7.5 7.6 51 51 A G T 3 S+ 0 0 28 -33,-0.2 -1,-0.2 -32,-0.1 -33,-0.1 0.278 94.3 95.2 92.7 -9.5 67.5 -10.5 9.4 52 52 A K S < S- 0 0 104 -3,-1.7 -2,-0.1 8,-0.0 -1,-0.0 0.397 88.8-125.8 -94.7 4.8 64.3 -8.9 10.8 53 53 A Q + 0 0 162 -4,-0.2 4,-0.1 1,-0.1 -3,-0.1 0.859 65.8 138.2 54.8 38.6 62.1 -10.1 7.9 54 54 A E + 0 0 121 -5,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.487 70.0 40.1 -85.5 -8.8 61.0 -6.5 7.2 55 55 A V S S- 0 0 26 -6,-0.1 5,-0.1 1,-0.1 -7,-0.0 -0.845 106.5 -71.0-133.6 169.2 61.4 -7.4 3.5 56 56 A I >> - 0 0 20 -2,-0.3 3,-1.8 1,-0.1 4,-1.7 -0.274 47.5-111.6 -62.2 151.2 60.7 -10.4 1.2 57 57 A R H 3> S+ 0 0 140 24,-0.3 4,-2.8 1,-0.3 5,-0.3 0.841 115.2 61.8 -51.7 -41.2 63.0 -13.4 1.7 58 58 A G H 3> S+ 0 0 0 22,-2.5 4,-1.6 1,-0.2 -1,-0.3 0.733 105.8 47.6 -58.4 -27.8 64.6 -12.9 -1.7 59 59 A W H <> S+ 0 0 11 -3,-1.8 4,-3.0 21,-0.3 5,-0.5 0.909 110.0 51.1 -77.8 -47.8 65.9 -9.5 -0.6 60 60 A E H X S+ 0 0 15 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.919 121.2 34.8 -54.9 -46.7 67.2 -10.9 2.8 61 61 A E H < S+ 0 0 67 -4,-2.8 4,-0.2 -5,-0.2 -1,-0.2 0.835 121.9 45.2 -79.4 -34.0 69.1 -13.6 0.9 62 62 A G H >< S+ 0 0 0 -4,-1.6 3,-1.2 -5,-0.3 -3,-0.2 0.898 111.8 48.7 -78.1 -41.7 70.0 -11.7 -2.2 63 63 A V H >< S+ 0 0 0 -4,-3.0 3,-2.1 1,-0.3 -1,-0.2 0.837 101.1 66.5 -68.9 -28.4 71.2 -8.5 -0.6 64 64 A A T 3< S+ 0 0 21 -4,-0.8 -1,-0.3 -5,-0.5 -2,-0.2 0.700 99.4 53.5 -65.0 -16.5 73.4 -10.5 1.8 65 65 A Q T < S+ 0 0 112 -3,-1.2 -1,-0.3 -4,-0.2 2,-0.3 0.292 95.0 87.5 -99.0 4.9 75.4 -11.6 -1.3 66 66 A M < - 0 0 0 -3,-2.1 2,-0.3 4,-0.1 36,-0.0 -0.733 68.0-139.3-103.2 154.9 76.1 -8.0 -2.5 67 67 A S > - 0 0 3 -2,-0.3 3,-2.4 -52,-0.2 36,-0.3 -0.807 40.8 -75.4-110.3 157.1 78.9 -5.8 -1.4 68 68 A V T 3 S+ 0 0 34 -54,-2.0 -57,-2.3 -2,-0.3 -56,-0.2 -0.245 119.7 20.4 -53.4 126.7 78.8 -2.1 -0.6 69 69 A G T 3 S+ 0 0 37 34,-2.8 -1,-0.3 1,-0.3 2,-0.1 0.124 93.7 131.3 100.1 -16.0 78.5 0.0 -3.7 70 70 A Q < - 0 0 16 -3,-2.4 33,-2.7 33,-0.1 2,-0.5 -0.388 41.6-159.7 -75.9 144.7 77.3 -2.8 -5.9 71 71 A R E +AE 8 102A 70 -63,-2.5 -64,-2.9 31,-0.2 -63,-2.3 -0.984 23.8 168.0-121.6 127.7 74.3 -2.6 -8.1 72 72 A A E -AE 6 101A 0 29,-2.9 29,-3.1 -2,-0.5 2,-0.6 -0.958 37.0-121.8-142.4 159.6 72.7 -5.9 -9.1 73 73 A K E -AE 5 100A 70 -68,-3.2 -68,-2.6 -2,-0.3 2,-0.5 -0.916 28.0-161.2-103.0 118.9 69.6 -7.4 -10.8 74 74 A L E -AE 4 99A 0 25,-3.2 25,-2.9 -2,-0.6 2,-0.6 -0.914 4.9-162.5-104.4 127.1 67.8 -9.8 -8.5 75 75 A T E -AE 3 98A 42 -72,-2.3 -72,-2.3 -2,-0.5 2,-0.4 -0.960 16.4-168.7-108.5 119.7 65.3 -12.3 -10.0 76 76 A I E -AE 2 97A 0 21,-3.3 21,-2.5 -2,-0.6 -74,-0.2 -0.953 14.7-136.9-120.2 128.6 63.0 -13.7 -7.3 77 77 A S > - 0 0 25 -76,-2.1 3,-2.3 -2,-0.4 4,-0.3 -0.414 33.5-104.2 -76.4 156.1 60.6 -16.6 -7.5 78 78 A P G > >S+ 0 0 24 0, 0.0 5,-2.4 0, 0.0 3,-2.2 0.847 118.7 59.2 -45.9 -48.8 57.1 -16.4 -5.9 79 79 A D G 3 5S+ 0 0 116 1,-0.3 -22,-0.1 3,-0.2 5,-0.1 0.679 109.8 43.9 -59.6 -18.0 58.0 -18.5 -2.9 80 80 A Y G < 5S+ 0 0 41 -3,-2.3 -22,-2.5 -79,-0.2 -21,-0.3 0.302 126.1 31.0-106.0 2.0 60.7 -16.0 -2.0 81 81 A A T < 5S- 0 0 21 -3,-2.2 -24,-0.3 -4,-0.3 15,-0.1 0.219 129.4 -30.3-122.2-109.5 58.4 -13.0 -2.7 82 82 A Y T >5S- 0 0 96 13,-0.3 4,-1.7 1,-0.2 3,-0.2 0.305 76.4-154.9-106.2 10.6 54.6 -12.8 -2.3 83 83 A G T 4< - 0 0 22 -5,-2.4 11,-2.0 2,-0.2 12,-0.5 -0.046 51.0 -28.2 60.2-151.8 53.6 -16.4 -3.0 84 84 A A T 4 S+ 0 0 58 9,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.878 139.3 47.3 -70.1 -40.7 50.3 -17.7 -4.3 85 85 A T T 4 S+ 0 0 112 -3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.775 83.8 178.9 -73.8 -28.2 48.2 -14.8 -2.8 86 86 A G < - 0 0 11 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.1 -0.335 52.3 -65.3 59.9-144.3 50.5 -12.1 -4.1 87 87 A H B >> -F 91 0B 97 4,-2.9 3,-2.6 -4,-0.1 4,-2.3 -0.696 57.8-127.4-142.8 85.5 49.3 -8.6 -3.2 88 88 A P T 34 S+ 0 0 112 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.034 92.7 23.7 -37.7 127.5 45.9 -8.1 -5.0 89 89 A G T 34 S+ 0 0 88 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.016 136.3 30.2 101.5 -27.8 45.9 -4.9 -7.0 90 90 A I T <4 S+ 0 0 91 -3,-2.6 -1,-0.1 1,-0.3 -4,-0.0 0.676 119.2 35.7-125.5 -56.4 49.7 -4.7 -7.3 91 91 A I B < S-F 87 0B 6 -4,-2.3 -4,-2.9 -6,-0.1 -1,-0.3 -0.929 75.0-142.2-110.9 114.0 51.4 -8.1 -7.4 92 92 A P > - 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