==== 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 1D7H . 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) . 11849.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 73.4 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 . 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 . 1 0.5 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 . 21 9.8 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 . 15 7.0 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 1 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 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 51 0, 0.0 76,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-152.1 65.2 -19.1 -5.1 2 2 A V E -A 76 0A 29 74,-0.2 2,-0.5 55,-0.1 74,-0.2 -0.973 360.0-155.4-125.9 135.6 66.9 -15.8 -6.0 3 3 A Q E -A 75 0A 79 72,-2.4 72,-2.3 -2,-0.4 2,-0.5 -0.946 10.4-156.4-108.6 130.2 69.4 -15.2 -8.8 4 4 A V E -A 74 0A 40 -2,-0.5 2,-0.4 70,-0.2 70,-0.2 -0.934 11.5-178.9-112.1 123.1 71.8 -12.4 -8.5 5 5 A E E -A 73 0A 50 68,-2.3 68,-3.2 -2,-0.5 2,-0.1 -0.987 26.3-124.1-121.9 129.3 73.4 -10.8 -11.6 6 6 A T E +A 72 0A 89 -2,-0.4 66,-0.3 66,-0.2 64,-0.0 -0.457 29.4 172.0 -74.9 141.4 75.9 -7.9 -11.2 7 7 A I E S+ 0 0 87 64,-3.1 65,-0.2 1,-0.5 -1,-0.2 0.631 80.0 1.9-111.8 -43.0 75.2 -4.7 -13.0 8 8 A S E S-A 71 0A 45 63,-2.2 63,-2.4 0, 0.0 -1,-0.5 -0.984 86.2-111.9-146.4 133.5 78.1 -2.7 -11.5 9 9 A P - 0 0 107 0, 0.0 2,-0.1 0, 0.0 57,-0.0 -0.254 22.1-153.2 -66.7 153.8 80.6 -4.0 -9.0 10 10 A G - 0 0 24 60,-0.1 59,-0.2 61,-0.0 58,-0.1 -0.174 52.5 -69.1-102.4-155.2 80.8 -3.0 -5.3 11 11 A D - 0 0 72 57,-2.3 58,-0.1 3,-0.2 57,-0.0 0.609 56.5-136.2 -76.5 -11.7 84.0 -3.2 -3.3 12 12 A G S S+ 0 0 51 56,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.622 88.6 64.3 66.5 18.7 83.9 -7.0 -3.3 13 13 A R S S+ 0 0 213 1,-0.2 2,-0.8 55,-0.2 -1,-0.1 0.624 77.0 73.7-136.7 -39.2 84.8 -7.1 0.4 14 14 A T + 0 0 63 54,-0.2 54,-2.0 2,-0.0 -1,-0.2 -0.820 58.6 178.0 -93.6 104.6 82.1 -5.6 2.6 15 15 A F - 0 0 82 -2,-0.8 52,-0.2 52,-0.2 49,-0.1 -0.884 33.7-103.5-109.8 138.6 79.1 -8.0 2.8 16 16 A P - 0 0 4 0, 0.0 2,-0.3 0, 0.0 6,-0.0 -0.297 35.5-158.1 -60.5 136.4 75.9 -7.4 4.9 17 17 A K > - 0 0 132 1,-0.1 3,-2.3 33,-0.0 33,-0.3 -0.842 34.4 -80.8-115.2 155.4 75.7 -9.4 8.1 18 18 A R T 3 S+ 0 0 140 -2,-0.3 33,-0.2 1,-0.3 3,-0.1 -0.265 118.1 28.5 -52.9 131.7 72.5 -10.3 10.2 19 19 A G T 3 S+ 0 0 37 31,-2.7 -1,-0.3 1,-0.4 2,-0.1 0.100 92.8 115.3 102.3 -23.6 71.6 -7.3 12.3 20 20 A Q < - 0 0 61 -3,-2.3 30,-2.7 29,-0.1 2,-0.6 -0.485 66.8-119.8 -81.1 155.9 73.0 -4.6 10.1 21 21 A T E -B 49 0A 26 86,-2.4 86,-2.4 28,-0.2 2,-0.4 -0.827 24.0-152.6 -96.5 119.2 70.9 -1.9 8.4 22 22 A C E -BC 48 106A 0 26,-3.1 26,-1.8 -2,-0.6 2,-0.6 -0.785 1.4-156.3 -92.6 135.4 71.1 -2.0 4.6 23 23 A V E +BC 47 105A 7 82,-2.1 81,-2.2 -2,-0.4 82,-1.0 -0.961 29.0 164.0-111.9 111.9 70.5 1.3 2.8 24 24 A V E -BC 46 103A 0 22,-2.9 22,-3.0 -2,-0.6 2,-0.4 -0.826 37.5-143.7-129.8 164.8 69.4 0.6 -0.8 25 25 A H E + C 0 102A 30 77,-1.8 77,-2.8 -2,-0.3 2,-0.3 -0.972 36.3 171.7-121.0 137.6 67.8 2.1 -3.9 26 26 A Y E - C 0 101A 14 -2,-0.4 13,-1.6 75,-0.2 14,-1.1 -0.978 31.4-157.2-148.8 162.1 65.6 -0.3 -5.8 27 27 A T E -DC 38 100A 19 73,-1.3 73,-2.5 -2,-0.3 2,-0.4 -0.983 20.1-152.4-138.3 122.3 63.1 -0.6 -8.6 28 28 A G E +DC 37 99A 0 9,-3.0 8,-2.4 -2,-0.4 9,-1.1 -0.856 16.6 179.6-100.7 139.5 60.7 -3.6 -8.6 29 29 A M E -DC 35 98A 44 69,-2.7 69,-2.3 -2,-0.4 6,-0.2 -0.925 25.2-123.9-136.4 156.9 59.3 -5.1 -11.8 30 30 A L E > - C 0 97A 23 4,-1.9 3,-2.2 -2,-0.3 67,-0.1 -0.542 50.6 -87.0 -90.4 167.1 57.0 -7.9 -12.9 31 31 A E T 3 S+ 0 0 134 65,-0.6 66,-0.1 1,-0.3 -1,-0.0 0.840 128.8 52.9 -42.2 -43.9 58.1 -10.6 -15.3 32 32 A D T 3 S- 0 0 119 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.687 123.4 -99.2 -69.3 -23.0 57.1 -8.4 -18.3 33 33 A G S < S+ 0 0 46 -3,-2.2 2,-0.5 1,-0.3 -2,-0.1 0.450 71.0 148.3 115.7 2.4 59.0 -5.3 -17.2 34 34 A K - 0 0 130 -4,-0.1 -4,-1.9 1,-0.1 -1,-0.3 -0.606 45.2-131.7 -74.5 122.0 56.1 -3.4 -15.6 35 35 A K E +D 29 0A 107 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.515 31.7 170.2 -73.4 136.5 57.4 -1.4 -12.7 36 36 A F E + 0 0 46 -8,-2.4 2,-0.3 1,-0.4 -7,-0.2 0.570 65.3 7.3-120.8 -17.0 55.4 -1.7 -9.5 37 37 A D E +D 28 0A 47 -9,-1.1 -9,-3.0 4,-0.0 -1,-0.4 -0.982 56.3 175.3-162.7 150.5 57.6 0.1 -7.0 38 38 A S E > -D 27 0A 4 -2,-0.3 4,-1.0 -11,-0.2 3,-0.5 -0.739 24.6-162.2-166.6 118.2 60.7 2.2 -6.9 39 39 A S H >>S+ 0 0 1 -13,-1.6 5,-1.6 1,-0.2 4,-0.5 0.785 97.8 65.8 -68.6 -24.2 62.5 4.1 -4.1 40 40 A R H >45S+ 0 0 57 -14,-1.1 3,-0.6 1,-0.2 -1,-0.2 0.875 95.5 53.8 -67.3 -34.0 64.2 6.0 -7.0 41 41 A D H 345S+ 0 0 105 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.856 112.2 45.0 -68.4 -32.4 60.9 7.6 -8.0 42 42 A R H 3<5S- 0 0 143 -4,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.532 103.7-139.0 -85.2 -6.9 60.5 8.8 -4.4 43 43 A N T <<5 + 0 0 138 -3,-0.6 -3,-0.2 -4,-0.5 -2,-0.1 0.912 68.5 112.0 46.7 47.5 64.2 9.9 -4.5 44 44 A K < - 0 0 148 -5,-1.6 -2,-0.2 0, 0.0 -1,-0.2 -0.934 69.3-123.0-149.9 118.9 64.5 8.5 -0.9 45 45 A P - 0 0 52 0, 0.0 2,-0.4 0, 0.0 -20,-0.2 -0.315 23.9-125.2 -63.1 151.5 66.7 5.4 -0.1 46 46 A F E -B 24 0A 71 -22,-3.0 -22,-2.9 2,-0.0 2,-0.4 -0.814 22.6-161.0-103.4 138.2 65.0 2.5 1.6 47 47 A K E +B 23 0A 107 -2,-0.4 2,-0.3 -24,-0.2 -24,-0.2 -0.962 16.5 159.9-121.9 140.1 66.4 1.0 4.8 48 48 A F E -B 22 0A 2 -26,-1.8 -26,-3.1 -2,-0.4 2,-0.5 -0.984 37.1-117.7-153.9 149.4 65.9 -2.4 6.4 49 49 A M E > -B 21 0A 59 -2,-0.3 3,-1.4 -28,-0.3 5,-0.5 -0.806 34.8-120.6 -92.3 123.9 67.7 -4.5 9.0 50 50 A L T 3 S+ 0 0 0 -30,-2.7 -31,-2.7 -2,-0.5 -33,-0.0 -0.370 94.6 21.1 -63.8 137.2 69.0 -7.9 7.7 51 51 A G T 3 S+ 0 0 27 -33,-0.2 -1,-0.2 -32,-0.1 -33,-0.1 0.182 95.4 96.7 91.4 -17.6 67.6 -10.9 9.5 52 52 A K S < S- 0 0 123 -3,-1.4 -2,-0.1 8,-0.0 -1,-0.0 0.433 87.0-130.8 -83.4 -1.3 64.5 -9.1 10.9 53 53 A Q + 0 0 164 -4,-0.2 -3,-0.1 1,-0.1 4,-0.1 0.855 64.1 135.8 53.6 40.9 62.4 -10.4 8.0 54 54 A E + 0 0 113 -5,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.406 68.5 44.5 -95.2 2.2 60.9 -7.0 7.2 55 55 A V S S- 0 0 24 -6,-0.1 5,-0.1 1,-0.1 -7,-0.0 -0.865 106.6 -71.6-135.7 167.0 61.5 -7.6 3.5 56 56 A I >> - 0 0 20 -2,-0.3 4,-1.8 1,-0.1 3,-1.7 -0.220 45.9-110.1 -63.0 153.9 60.8 -10.6 1.3 57 57 A R H 3> S+ 0 0 142 1,-0.3 4,-2.6 24,-0.3 5,-0.3 0.859 117.1 60.9 -50.7 -41.4 63.0 -13.8 1.7 58 58 A G H 3> S+ 0 0 0 22,-2.8 4,-2.0 1,-0.2 -1,-0.3 0.755 106.1 46.6 -58.9 -28.8 64.6 -13.1 -1.7 59 59 A W H <> S+ 0 0 9 -3,-1.7 4,-2.2 21,-0.3 5,-0.4 0.873 109.6 53.6 -79.1 -42.8 65.9 -9.8 -0.5 60 60 A E H < S+ 0 0 10 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.906 120.4 33.1 -57.8 -43.4 67.2 -11.3 2.8 61 61 A E H < S+ 0 0 71 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.857 121.6 45.8 -84.7 -34.2 69.1 -13.9 0.8 62 62 A G H >< S+ 0 0 0 -4,-2.0 3,-1.4 -5,-0.3 -3,-0.2 0.888 110.4 50.1 -76.4 -42.8 70.1 -11.9 -2.3 63 63 A V G >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.788 101.1 65.0 -69.4 -24.7 71.3 -8.7 -0.6 64 64 A A G 3 S+ 0 0 26 -4,-0.5 -1,-0.3 -5,-0.4 -2,-0.2 0.642 100.2 52.9 -70.8 -14.1 73.5 -10.7 1.7 65 65 A Q G < S+ 0 0 112 -3,-1.4 2,-0.3 -4,-0.2 -1,-0.3 0.311 96.4 86.4-100.3 3.9 75.5 -11.8 -1.4 66 66 A M < - 0 0 0 -3,-1.4 2,-0.3 -4,-0.1 36,-0.0 -0.699 69.3-138.6-102.0 156.7 76.1 -8.2 -2.5 67 67 A S > - 0 0 3 -2,-0.3 3,-2.6 -52,-0.2 36,-0.3 -0.837 39.6 -74.4-113.8 157.7 78.9 -5.9 -1.4 68 68 A V T 3 S+ 0 0 35 -54,-2.0 -57,-2.3 -2,-0.3 -56,-0.2 -0.187 119.8 18.1 -51.0 127.1 78.7 -2.2 -0.5 69 69 A G T 3 S+ 0 0 31 34,-3.2 -1,-0.3 1,-0.3 2,-0.1 0.242 94.4 132.4 94.2 -10.0 78.4 -0.1 -3.6 70 70 A Q < - 0 0 17 -3,-2.6 33,-2.8 33,-0.2 2,-0.5 -0.428 41.7-158.4 -78.0 148.0 77.2 -3.0 -5.8 71 71 A R E +AE 8 102A 75 -63,-2.4 -64,-3.1 31,-0.3 -63,-2.2 -0.998 24.0 166.3-123.6 125.5 74.2 -2.7 -8.1 72 72 A A E -AE 6 101A 0 29,-2.8 29,-2.8 -2,-0.5 2,-0.6 -0.944 37.2-122.0-141.0 158.9 72.7 -6.0 -9.1 73 73 A K E -AE 5 100A 75 -68,-3.2 -68,-2.3 -2,-0.3 2,-0.5 -0.915 27.0-160.4-101.9 122.4 69.5 -7.5 -10.7 74 74 A L E -AE 4 99A 0 25,-3.0 25,-2.9 -2,-0.6 2,-0.6 -0.927 4.2-162.5-106.4 127.7 67.7 -10.0 -8.5 75 75 A T E -AE 3 98A 37 -72,-2.3 -72,-2.4 -2,-0.5 2,-0.4 -0.971 17.0-168.0-107.5 118.4 65.3 -12.4 -10.1 76 76 A I E -AE 2 97A 0 21,-3.5 21,-2.2 -2,-0.6 -74,-0.2 -0.936 15.0-137.2-119.3 130.8 63.1 -13.9 -7.4 77 77 A S > - 0 0 24 -76,-2.1 3,-2.4 -2,-0.4 4,-0.2 -0.471 33.7-104.2 -77.5 156.6 60.7 -16.8 -7.6 78 78 A P G > >S+ 0 0 24 0, 0.0 5,-2.9 0, 0.0 3,-1.9 0.827 118.1 59.4 -47.5 -45.4 57.1 -16.6 -5.9 79 79 A D G 3 5S+ 0 0 110 1,-0.3 -22,-0.1 3,-0.2 17,-0.1 0.662 108.7 44.6 -64.4 -14.7 58.0 -18.7 -3.0 80 80 A Y G < 5S+ 0 0 48 -3,-2.4 -22,-2.8 -79,-0.2 -21,-0.3 0.257 126.3 28.8-108.4 6.1 60.8 -16.2 -2.0 81 81 A A T < 5S- 0 0 19 -3,-1.9 -24,-0.3 -4,-0.2 15,-0.1 0.173 129.9 -28.2-128.3-107.1 58.5 -13.2 -2.6 82 82 A Y T >5S- 0 0 95 13,-0.3 4,-1.8 1,-0.2 -3,-0.2 0.181 77.2-155.2-108.8 15.5 54.7 -13.0 -2.3 83 83 A G T 4< - 0 0 24 -5,-2.9 11,-2.0 -6,-0.2 12,-0.6 0.138 49.8 -29.2 54.6-158.2 53.7 -16.6 -3.0 84 84 A A T 4 S+ 0 0 54 9,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.879 138.3 47.4 -63.2 -42.8 50.4 -17.9 -4.4 85 85 A T T 4 S- 0 0 115 1,-0.2 -1,-0.2 8,-0.2 -2,-0.2 0.782 83.7-180.0 -73.2 -25.7 48.3 -15.1 -2.9 86 86 A G < - 0 0 11 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.1 -0.385 52.2 -66.7 59.2-145.1 50.5 -12.3 -4.1 87 87 A H B >> -F 91 0B 103 4,-2.9 3,-2.5 -4,-0.1 4,-2.3 -0.677 57.3-127.3-140.8 85.7 49.2 -8.9 -3.0 88 88 A P T 34 S+ 0 0 111 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.053 93.1 23.4 -37.6 126.2 45.9 -8.4 -4.9 89 89 A G T 34 S+ 0 0 87 1,-0.1 0, 0.0 0, 0.0 0, 0.0 0.144 135.6 32.5 100.0 -20.9 45.8 -5.1 -6.8 90 90 A I T <4 S+ 0 0 89 -3,-2.5 -1,-0.1 1,-0.2 -4,-0.0 0.597 119.0 33.8-129.6 -54.6 49.6 -4.8 -7.0 91 91 A I B < S-F 87 0B 9 -4,-2.3 -4,-2.9 -6,-0.1 -1,-0.2 -0.941 74.8-134.1-119.9 118.7 51.3 -8.2 -7.2 92 92 A P > - 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