==== 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 08-MAR-06 2DG3 . COMPND 2 MOLECULE: FK506-BINDING PROTEIN 1A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.M.BUCKLE . 107 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5879.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 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 . 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 . 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 1 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 42 0, 0.0 76,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-131.9 14.9 -1.7 7.3 2 2 A V E -A 76 0A 30 74,-0.2 2,-0.5 55,-0.1 74,-0.2 -0.993 360.0-158.0-131.4 125.1 11.3 -2.7 7.1 3 3 A Q E -A 75 0A 111 72,-2.3 72,-2.4 -2,-0.4 2,-0.5 -0.878 10.8-155.7 -98.0 134.2 9.9 -6.3 6.7 4 4 A V E -A 74 0A 36 -2,-0.5 2,-0.5 70,-0.2 70,-0.2 -0.952 12.5-179.8-115.7 117.7 6.5 -6.6 5.2 5 5 A E E -A 73 0A 86 68,-2.5 68,-3.7 -2,-0.5 2,-0.2 -0.977 27.5-126.0-119.4 120.3 4.4 -9.7 6.0 6 6 A T E +A 72 0A 82 -2,-0.5 66,-0.3 66,-0.3 64,-0.0 -0.431 27.2 176.4 -69.9 128.4 0.9 -10.0 4.4 7 7 A I E S+ 0 0 75 64,-3.3 65,-0.2 1,-0.4 -1,-0.2 0.798 83.6 0.6 -91.3 -45.7 -2.0 -10.6 6.8 8 8 A S E S-A 71 0A 59 63,-2.2 63,-2.9 61,-0.0 -1,-0.4 -0.984 85.7-115.9-141.0 136.4 -4.5 -10.4 4.0 9 9 A P - 0 0 108 0, 0.0 2,-0.1 0, 0.0 57,-0.0 -0.375 21.9-142.8 -72.5 149.3 -3.7 -9.8 0.3 10 10 A G - 0 0 22 60,-0.1 59,-0.2 -2,-0.1 58,-0.1 -0.059 47.6 -75.3 -86.2-162.3 -4.9 -6.6 -1.6 11 11 A D - 0 0 83 57,-2.0 58,-0.1 3,-0.2 57,-0.0 0.629 56.4-135.7 -75.1 -12.0 -6.0 -6.6 -5.2 12 12 A G S S+ 0 0 45 56,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.611 89.5 64.1 70.0 15.2 -2.3 -6.9 -6.2 13 13 A R S S+ 0 0 148 55,-0.2 2,-0.9 1,-0.1 -1,-0.1 0.578 79.2 73.2-135.9 -33.5 -2.8 -4.2 -8.9 14 14 A T + 0 0 65 54,-0.2 54,-2.4 92,-0.0 -3,-0.2 -0.788 58.0 168.3-102.0 96.9 -3.6 -0.8 -7.3 15 15 A F - 0 0 99 -2,-0.9 52,-0.2 52,-0.2 49,-0.1 -0.777 39.3 -95.7-107.0 150.0 -0.5 0.6 -5.6 16 16 A P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.300 33.3-140.2 -63.9 145.2 -0.1 4.2 -4.2 17 17 A K > - 0 0 56 1,-0.1 3,-1.8 4,-0.1 33,-0.3 -0.690 34.7 -87.1 -96.6 158.1 1.5 6.8 -6.4 18 18 A R T 3 S+ 0 0 89 -2,-0.3 33,-0.2 1,-0.3 3,-0.1 -0.489 118.4 22.6 -64.0 129.6 3.9 9.5 -5.0 19 19 A G T 3 S+ 0 0 39 31,-3.2 2,-0.3 1,-0.3 -1,-0.3 0.464 96.3 125.4 88.7 3.4 1.9 12.5 -3.8 20 20 A Q < - 0 0 59 -3,-1.8 30,-2.4 30,-0.1 2,-0.5 -0.734 65.0-116.4 -94.1 143.6 -1.3 10.4 -3.4 21 21 A T E -B 49 0A 26 86,-2.4 86,-2.6 -2,-0.3 2,-0.5 -0.692 25.8-153.2 -81.6 124.0 -3.1 10.3 -0.0 22 22 A C E -BC 48 106A 0 26,-3.2 26,-1.7 -2,-0.5 2,-0.6 -0.855 0.8-153.9 -97.8 130.8 -3.2 6.8 1.6 23 23 A V E +BC 47 105A 7 82,-2.5 81,-2.2 -2,-0.5 82,-1.3 -0.929 28.6 165.6-108.1 117.6 -6.1 6.0 3.9 24 24 A V E -BC 46 103A 0 22,-3.3 22,-3.1 -2,-0.6 2,-0.4 -0.905 36.7-143.9-133.2 153.3 -5.2 3.4 6.4 25 25 A H E + C 0 102A 27 77,-1.8 77,-2.8 -2,-0.3 2,-0.3 -0.963 35.9 174.2-108.4 139.7 -6.2 1.7 9.7 26 26 A Y E - C 0 101A 17 -2,-0.4 13,-1.9 75,-0.2 14,-0.9 -0.975 31.4-159.1-144.0 157.3 -3.3 0.8 12.0 27 27 A T E -DC 38 100A 33 73,-1.4 73,-2.7 -2,-0.3 2,-0.4 -0.988 22.0-160.1-131.2 129.1 -2.2 -0.6 15.3 28 28 A G E +DC 37 99A 0 9,-3.4 8,-2.0 -2,-0.4 9,-1.5 -0.903 15.7 163.6-114.2 138.5 1.3 0.2 16.6 29 29 A M E -DC 35 98A 56 69,-2.4 69,-3.1 -2,-0.4 6,-0.3 -0.987 42.0-104.0-145.5 154.5 3.3 -1.6 19.2 30 30 A L E > - C 0 97A 44 4,-2.2 3,-2.7 -2,-0.3 67,-0.2 -0.583 63.0 -85.2 -70.2 141.5 6.9 -2.0 20.5 31 31 A E T 3 S- 0 0 95 65,-2.8 3,-0.1 1,-0.3 65,-0.1 -0.327 112.0 -9.2 -56.9 125.1 8.3 -5.3 19.3 32 32 A D T 3 S+ 0 0 159 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.795 132.0 85.2 51.3 33.2 7.2 -7.9 21.8 33 33 A G S < S- 0 0 38 -3,-2.7 2,-0.2 1,-0.1 -1,-0.2 -0.402 82.1 -30.4-137.6-151.6 6.1 -5.0 23.9 34 34 A K - 0 0 175 -2,-0.1 -4,-2.2 -3,-0.1 2,-0.4 -0.510 49.9-119.7 -84.3 141.8 3.3 -2.5 24.6 35 35 A K E +D 29 0A 112 -6,-0.3 -6,-0.3 -2,-0.2 3,-0.1 -0.646 32.5 175.1 -72.1 128.8 0.7 -1.2 22.2 36 36 A F E + 0 0 66 -8,-2.0 2,-0.3 -2,-0.4 -7,-0.2 0.593 57.9 19.4-113.5 -16.8 1.0 2.5 22.0 37 37 A D E +D 28 0A 54 -9,-1.5 -9,-3.4 4,-0.0 -1,-0.3 -0.990 47.8 174.5-158.1 145.8 -1.4 3.6 19.2 38 38 A S E -D 27 0A 13 -2,-0.3 3,-0.5 -11,-0.3 4,-0.5 -0.851 15.7-167.1-155.5 115.8 -4.4 2.4 17.3 39 39 A S S >S+ 0 0 0 -13,-1.9 5,-1.5 -2,-0.3 3,-0.3 0.695 93.2 65.1 -72.3 -21.0 -6.5 4.3 14.7 40 40 A R T > 5S+ 0 0 78 -14,-0.9 3,-0.8 1,-0.2 -1,-0.2 0.797 94.1 59.4 -69.0 -31.0 -9.1 1.6 14.9 41 41 A D T 3 5S+ 0 0 132 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.728 106.9 45.5 -71.1 -24.8 -9.8 2.5 18.6 42 42 A R T 3 5S- 0 0 121 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.2 0.342 107.0-129.6 -99.5 5.1 -10.7 6.1 17.6 43 43 A N T < 5S+ 0 0 142 -3,-0.8 -3,-0.2 -4,-0.1 -2,-0.1 0.797 74.2 104.1 53.6 37.8 -12.9 4.8 14.7 44 44 A K S > -B 21 0A 65 -2,-0.3 3,-0.9 -28,-0.2 5,-0.5 -0.848 33.7-125.9 -97.6 122.8 0.5 11.7 1.6 50 50 A L T 3 5S+ 0 0 14 -30,-2.4 -31,-3.2 -2,-0.6 -30,-0.1 -0.404 88.8 19.9 -70.2 138.6 3.2 9.3 0.1 51 51 A G T 3 5S+ 0 0 40 -33,-0.2 -1,-0.2 -2,-0.1 -33,-0.1 0.761 95.0 100.0 75.6 27.4 6.6 10.7 -0.8 52 52 A K T < 5S- 0 0 63 -3,-0.9 -2,-0.1 3,-0.0 -3,-0.0 0.207 92.7-117.1-122.5 10.8 6.2 13.8 1.4 53 53 A Q T 5S+ 0 0 161 1,-0.1 -3,-0.1 3,-0.1 4,-0.1 0.807 73.2 135.6 54.3 33.5 8.3 12.6 4.3 54 54 A E < + 0 0 112 -5,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.797 64.7 33.1 -77.8 -30.5 5.2 12.8 6.5 55 55 A V S S- 0 0 31 -6,-0.2 5,-0.1 1,-0.1 -2,-0.0 -0.790 100.1 -72.5-126.0 166.1 5.8 9.5 8.2 56 56 A I >> - 0 0 22 -2,-0.3 4,-2.2 1,-0.1 3,-1.1 -0.126 48.6-108.0 -56.9 152.5 8.7 7.3 9.3 57 57 A R H 3> S+ 0 0 131 24,-0.3 4,-2.8 1,-0.3 5,-0.4 0.851 117.4 58.6 -54.0 -42.1 10.8 5.5 6.6 58 58 A G H 3> S+ 0 0 0 22,-2.8 4,-1.4 1,-0.2 -1,-0.3 0.826 110.6 43.3 -57.4 -36.1 9.4 2.1 7.5 59 59 A W H <> S+ 0 0 10 -3,-1.1 4,-2.7 21,-0.3 5,-0.4 0.872 111.9 53.6 -74.4 -42.9 5.9 3.4 6.7 60 60 A E H X S+ 0 0 27 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.932 120.1 32.4 -56.7 -48.7 7.0 5.2 3.6 61 61 A E H X S+ 0 0 73 -4,-2.8 4,-0.7 2,-0.2 -1,-0.2 0.795 120.1 53.0 -82.1 -30.1 8.6 2.1 2.1 62 62 A G H >< S+ 0 0 0 -4,-1.4 3,-0.5 -5,-0.4 -3,-0.2 0.931 112.7 40.4 -71.6 -49.9 6.2 -0.4 3.6 63 63 A V H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.829 106.1 66.8 -70.1 -32.0 2.9 1.2 2.4 64 64 A A H 3< S+ 0 0 40 -4,-1.0 -1,-0.2 -5,-0.4 -2,-0.2 0.813 102.2 47.6 -56.9 -32.1 4.5 2.0 -1.0 65 65 A Q T << S+ 0 0 105 -4,-0.7 2,-0.3 -3,-0.5 -1,-0.3 0.305 96.1 95.1 -95.3 8.8 4.7 -1.8 -1.7 66 66 A M < - 0 0 0 -3,-1.8 2,-0.2 4,-0.1 3,-0.0 -0.785 63.6-143.6-101.0 143.5 1.1 -2.5 -0.6 67 67 A S > - 0 0 3 -2,-0.3 3,-2.3 -52,-0.2 36,-0.3 -0.666 41.3 -73.8-100.2 161.1 -2.0 -2.7 -2.9 68 68 A V T 3 S+ 0 0 36 -54,-2.4 -57,-2.0 1,-0.3 -56,-0.2 -0.278 121.2 21.0 -57.7 129.0 -5.5 -1.5 -2.1 69 69 A G T 3 S+ 0 0 34 34,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.259 93.0 135.1 95.8 -9.5 -7.2 -3.8 0.4 70 70 A Q < - 0 0 19 -3,-2.3 33,-3.0 33,-0.2 2,-0.4 -0.492 37.4-164.3 -76.8 139.9 -4.0 -5.3 1.6 71 71 A R E +AE 8 102A 82 -63,-2.9 -64,-3.3 31,-0.3 -63,-2.2 -0.995 19.1 172.1-121.8 129.6 -3.3 -5.8 5.3 72 72 A A E -AE 6 101A 0 29,-2.8 29,-2.6 -2,-0.4 2,-0.7 -0.973 36.9-123.4-142.0 151.0 0.2 -6.4 6.5 73 73 A K E -AE 5 100A 91 -68,-3.7 -68,-2.5 -2,-0.3 2,-0.6 -0.867 29.7-161.4 -90.4 116.9 2.5 -6.7 9.5 74 74 A L E -AE 4 99A 0 25,-3.3 25,-2.6 -2,-0.7 2,-0.7 -0.910 5.8-165.9-102.0 117.1 5.3 -4.1 9.2 75 75 A T E -AE 3 98A 18 -72,-2.4 -72,-2.3 -2,-0.6 2,-0.6 -0.925 13.8-167.4-102.3 111.3 8.4 -4.8 11.4 76 76 A I E -AE 2 97A 0 21,-3.2 21,-2.6 -2,-0.7 -74,-0.2 -0.888 11.7-141.5-111.1 115.9 10.4 -1.6 11.4 77 77 A S > - 0 0 43 -76,-2.6 3,-1.8 -2,-0.6 4,-0.4 -0.302 34.2-101.2 -67.6 157.1 14.0 -1.5 12.7 78 78 A P G > >S+ 0 0 12 0, 0.0 5,-2.8 0, 0.0 3,-1.5 0.828 120.2 59.0 -50.2 -40.9 15.1 1.6 14.7 79 79 A D G 3 5S+ 0 0 107 1,-0.3 -22,-0.1 3,-0.2 5,-0.1 0.729 109.9 43.8 -64.1 -23.1 16.9 3.2 11.7 80 80 A Y G < 5S+ 0 0 37 -3,-1.8 -22,-2.8 -79,-0.3 -21,-0.3 0.329 125.5 33.6-101.6 3.7 13.7 3.2 9.7 81 81 A A T < 5S- 0 0 18 -3,-1.5 -24,-0.3 -4,-0.4 15,-0.1 0.262 130.7 -34.5-120.0-111.4 11.6 4.4 12.7 82 82 A Y T >>5S- 0 0 85 13,-0.4 4,-2.6 1,-0.2 3,-0.7 0.307 74.9-164.6-109.2 7.9 12.8 6.8 15.5 83 83 A G T 34< - 0 0 21 -5,-2.8 11,-2.2 1,-0.2 12,-0.5 0.031 56.7 -22.3 54.5-147.1 16.5 5.7 15.7 84 84 A A T 34 S+ 0 0 88 9,-0.2 -1,-0.2 1,-0.2 -5,-0.0 0.685 137.9 54.0 -72.7 -20.9 18.8 6.6 18.6 85 85 A T T <4 S- 0 0 126 -3,-0.7 -2,-0.2 1,-0.1 -1,-0.2 0.861 89.2-162.9 -80.6 -39.3 16.7 9.6 19.6 86 86 A G < - 0 0 7 -4,-2.6 -1,-0.1 6,-0.2 -2,-0.1 -0.284 38.0 -64.7 77.7-174.2 13.3 7.8 19.9 87 87 A H B >> -F 91 0B 83 4,-1.9 3,-2.5 -2,-0.1 4,-2.3 -0.963 65.6 -99.6-112.8 114.9 10.0 9.7 19.9 88 88 A P T 34 S- 0 0 106 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.057 97.1 -8.5 -41.4 119.1 9.8 12.0 23.0 89 89 A G T 34 S+ 0 0 87 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 0.286 136.9 49.9 81.7 -8.5 7.7 10.4 25.8 90 90 A I T <4 S+ 0 0 97 -3,-2.5 -1,-0.2 1,-0.3 -4,-0.0 0.687 104.4 39.6-124.8 -53.2 6.4 7.5 23.8 91 91 A I B < S-F 87 0B 9 -4,-2.3 -4,-1.9 -9,-0.0 -1,-0.3 -0.931 72.5-143.2-113.8 121.3 9.2 5.6 21.9 92 92 A P > - 0 0 64 0, 0.0 3,-0.8 0, 0.0 -6,-0.2 -0.299 38.8 -72.5 -75.4 162.7 12.5 4.9 23.6 93 93 A P T 3 S+ 0 0 85 0, 0.0 -9,-0.2 0, 0.0 -10,-0.1 -0.232 115.7 12.8 -48.2 139.5 16.0 4.9 21.9 94 94 A H T 3 S+ 0 0 148 -11,-2.2 2,-0.5 1,-0.2 -10,-0.1 0.816 86.5 164.6 60.9 40.0 16.6 1.9 19.6 95 95 A A < - 0 0 13 -3,-0.8 2,-0.5 -12,-0.5 -13,-0.4 -0.773 31.5-147.2 -94.4 124.8 13.1 0.7 19.5 96 96 A T - 0 0 31 -2,-0.5 -65,-2.8 -65,-0.1 2,-0.3 -0.785 23.5-151.0 -83.6 128.5 11.9 -1.8 16.8 97 97 A L E -CE 30 76A 0 -21,-2.6 -21,-3.2 -2,-0.5 2,-0.5 -0.795 11.9-156.6-107.7 145.9 8.3 -1.2 16.0 98 98 A V E -CE 29 75A 18 -69,-3.1 -69,-2.4 -2,-0.3 2,-0.4 -0.989 14.6-175.1-119.7 122.5 5.5 -3.5 14.8 99 99 A F E -CE 28 74A 9 -25,-2.6 -25,-3.3 -2,-0.5 2,-0.7 -0.967 20.9-152.2-118.5 133.4 2.6 -2.0 12.9 100 100 A D E -CE 27 73A 33 -73,-2.7 -73,-1.4 -2,-0.4 2,-0.5 -0.927 31.2-177.9 -95.7 108.5 -0.6 -3.8 11.7 101 101 A V E -CE 26 72A 0 -29,-2.6 -29,-2.8 -2,-0.7 2,-0.5 -0.951 18.1-170.2-119.0 127.6 -1.5 -1.6 8.6 102 102 A E E -CE 25 71A 50 -77,-2.8 -77,-1.8 -2,-0.5 2,-1.0 -0.974 18.2-143.0-113.1 123.6 -4.5 -2.0 6.3 103 103 A L E +C 24 0A 0 -33,-3.0 -34,-3.1 -2,-0.5 -79,-0.2 -0.754 25.3 174.3 -86.7 103.5 -4.5 0.1 3.1 104 104 A L E - 0 0 58 -81,-2.2 2,-0.3 -2,-1.0 -1,-0.2 0.909 53.9 -30.7 -80.6 -47.1 -8.2 1.0 2.8 105 105 A K E -C 23 0A 69 -82,-1.3 -82,-2.5 -37,-0.1 2,-0.4 -0.975 50.6-116.8-163.0 169.0 -8.3 3.4 -0.2 106 106 A L E C 22 0A 36 -2,-0.3 -84,-0.2 -84,-0.2 -91,-0.0 -0.960 360.0 360.0-118.2 139.1 -6.3 6.0 -2.2 107 107 A E 0 0 129 -86,-2.6 -86,-2.4 -2,-0.4 -2,-0.0 -0.814 360.0 360.0-143.8 360.0 -7.5 9.6 -2.5