==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 23-JUL-98 1BL4 . COMPND 2 MOLECULE: PROTEIN (FK506 BINDING PROTEIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.H.HATADA,T.CLACKSON,W.YANG,L.W.ROZAMUS,J.AMARA, . 214 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11945.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 72.9 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 . 18 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.3 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 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 51 0, 0.0 76,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-149.7 2.2 10.4 8.1 2 2 A V E -A 76 0A 29 74,-0.2 2,-0.4 55,-0.1 74,-0.2 -0.982 360.0-160.2-123.5 127.7 -0.2 7.8 6.8 3 3 A Q E -A 75 0A 137 72,-2.4 72,-2.4 -2,-0.4 2,-0.5 -0.867 8.4-152.9-106.1 140.6 -4.0 8.0 7.2 4 4 A V E -A 74 0A 55 -2,-0.4 2,-0.5 70,-0.2 70,-0.2 -0.967 13.1-178.6-119.6 125.1 -6.1 4.9 6.9 5 5 A E E -A 73 0A 137 68,-2.4 68,-3.0 -2,-0.5 2,-0.3 -0.992 25.3-134.7-119.8 120.7 -9.8 4.9 5.8 6 6 A T E +A 72 0A 75 -2,-0.5 66,-0.3 66,-0.2 64,-0.0 -0.643 26.1 174.2 -79.1 135.4 -11.4 1.5 5.7 7 7 A I E S+ 0 0 82 64,-3.1 65,-0.2 1,-0.4 -1,-0.2 0.726 74.8 8.3-105.9 -39.2 -13.5 0.6 2.7 8 8 A S E S-A 71 0A 54 63,-2.0 63,-2.4 0, 0.0 -1,-0.4 -0.984 86.8-108.4-145.7 135.4 -14.4 -3.0 3.4 9 9 A P - 0 0 104 0, 0.0 2,-0.1 0, 0.0 63,-0.0 -0.314 21.6-152.5 -70.8 146.2 -13.7 -4.9 6.7 10 10 A G - 0 0 23 60,-0.1 59,-0.2 -2,-0.1 58,-0.1 -0.053 49.2 -79.1 -91.8-159.8 -11.1 -7.6 7.2 11 11 A D - 0 0 84 57,-1.4 58,-0.1 3,-0.2 57,-0.0 0.555 56.0-131.0 -82.7 -6.9 -11.4 -10.3 9.8 12 12 A G S S+ 0 0 53 2,-0.2 3,-0.1 56,-0.2 57,-0.0 0.582 90.7 54.9 71.3 11.1 -10.3 -7.9 12.5 13 13 A R S S+ 0 0 208 1,-0.2 2,-1.0 55,-0.1 -1,-0.1 0.541 78.3 81.9-145.1 -21.4 -7.7 -10.2 14.0 14 14 A T + 0 0 51 54,-0.2 54,-1.7 92,-0.0 -3,-0.2 -0.791 56.7 170.2 -96.7 97.2 -5.2 -11.5 11.5 15 15 A F - 0 0 83 -2,-1.0 52,-0.2 52,-0.2 2,-0.1 -0.806 38.5 -98.1-107.6 149.7 -2.6 -8.8 11.1 16 16 A P - 0 0 11 0, 0.0 2,-0.3 0, 0.0 6,-0.0 -0.399 34.3-156.0 -65.9 138.4 0.8 -9.0 9.3 17 17 A K > - 0 0 112 -2,-0.1 3,-2.3 1,-0.1 33,-0.3 -0.845 35.4 -86.1-113.1 149.7 3.9 -9.7 11.4 18 18 A R T 3 S+ 0 0 153 -2,-0.3 33,-0.2 1,-0.3 3,-0.1 -0.269 118.0 33.2 -54.0 137.1 7.4 -8.8 10.3 19 19 A G T 3 S+ 0 0 44 31,-2.4 2,-0.3 1,-0.4 -1,-0.3 0.224 93.8 113.0 99.4 -18.0 8.8 -11.6 8.2 20 20 A Q < - 0 0 52 -3,-2.3 30,-2.0 30,-0.1 2,-0.5 -0.653 69.3-121.8 -88.8 148.5 5.5 -12.5 6.7 21 21 A T E -B 49 0A 35 86,-2.5 86,-2.2 -2,-0.3 2,-0.5 -0.800 22.5-147.4 -91.6 122.2 4.8 -11.9 3.0 22 22 A C E -BC 48 106A 0 26,-3.2 26,-1.4 -2,-0.5 2,-0.6 -0.834 5.6-157.5 -91.5 126.4 1.8 -9.7 2.3 23 23 A V E +BC 47 105A 5 82,-2.5 81,-2.1 -2,-0.5 82,-1.2 -0.922 28.4 159.3-106.1 118.8 -0.2 -10.4 -0.8 24 24 A V E -BC 46 103A 0 22,-2.7 22,-3.0 -2,-0.6 2,-0.4 -0.934 38.9-143.1-139.2 160.1 -2.2 -7.4 -2.0 25 25 A H E + C 0 102A 42 77,-1.8 77,-2.6 -2,-0.3 2,-0.3 -0.972 35.5 173.1-119.9 135.7 -3.9 -5.7 -4.9 26 26 A Y E - C 0 101A 20 -2,-0.4 13,-2.0 75,-0.2 14,-0.9 -0.970 31.9-154.4-142.8 160.6 -3.5 -2.0 -5.1 27 27 A T E -DC 38 100A 25 73,-1.7 73,-2.4 -2,-0.3 2,-0.5 -0.992 21.1-157.0-133.1 120.0 -4.2 1.1 -7.2 28 28 A G E +DC 37 99A 1 9,-3.4 8,-2.7 -2,-0.4 9,-1.4 -0.884 18.3 171.5-102.7 133.2 -1.9 4.0 -6.6 29 29 A M E -DC 35 98A 29 69,-3.0 69,-2.8 -2,-0.5 6,-0.2 -0.911 32.2-112.3-139.6 159.1 -3.0 7.5 -7.4 30 30 A L E > - C 0 97A 23 4,-2.2 3,-1.7 -2,-0.3 67,-0.2 -0.358 48.9 -93.6 -77.0 171.7 -1.9 11.1 -7.0 31 31 A E T 3 S+ 0 0 144 65,-0.7 66,-0.1 1,-0.3 -1,-0.1 0.852 125.1 61.0 -58.2 -33.2 -4.0 13.5 -4.8 32 32 A D T 3 S- 0 0 120 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.154 121.0-105.8 -81.0 19.1 -6.0 14.6 -7.9 33 33 A G S < S+ 0 0 48 -3,-1.7 2,-0.3 1,-0.2 -2,-0.1 0.319 71.1 145.7 76.7 -7.3 -7.2 11.1 -8.4 34 34 A K - 0 0 110 1,-0.1 -4,-2.2 -5,-0.1 2,-0.3 -0.465 51.1-120.0 -70.8 128.3 -5.1 10.3 -11.5 35 35 A K E +D 29 0A 108 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.492 34.1 172.0 -70.3 125.6 -3.9 6.7 -11.6 36 36 A V E - 0 0 45 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.795 68.0 -14.9 -99.0 -41.6 -0.1 6.2 -11.6 37 37 A D E -D 28 0A 60 -9,-1.4 -9,-3.4 53,-0.0 -1,-0.4 -0.974 55.0-171.4-163.3 149.6 -0.0 2.4 -11.3 38 38 A S E > -D 27 0A 4 -2,-0.3 3,-0.7 -11,-0.2 -11,-0.2 -0.973 21.7-154.5-150.7 132.4 -2.2 -0.6 -10.4 39 39 A S G > >S+ 0 0 0 -13,-2.0 3,-2.2 -2,-0.3 5,-0.6 0.751 96.9 70.5 -73.6 -23.5 -1.6 -4.3 -9.8 40 40 A R G 3 5S+ 0 0 81 -14,-0.9 3,-0.4 1,-0.3 -1,-0.2 0.769 93.2 58.1 -66.1 -21.2 -5.1 -5.0 -10.9 41 41 A D G < 5S+ 0 0 105 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.497 103.0 60.5 -83.1 -1.1 -4.0 -4.0 -14.4 42 42 A R T < 5S- 0 0 111 -3,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.407 97.8-112.9-113.8 -1.8 -1.3 -6.8 -14.3 43 43 A N T 5S+ 0 0 170 -3,-0.4 -3,-0.1 -4,-0.3 -4,-0.1 0.355 90.3 54.1 89.6 -13.5 -2.5 -10.5 -13.8 44 44 A K S > -B 21 0A 51 -2,-0.3 3,-1.3 -28,-0.3 5,-0.5 -0.891 32.2-121.2-106.3 124.5 7.8 -8.9 3.1 50 50 A L T 3 5S+ 0 0 9 -30,-2.0 -31,-2.4 -2,-0.5 -30,-0.1 -0.426 92.1 18.7 -63.4 131.0 7.0 -6.7 6.1 51 51 A G T 3 5S+ 0 0 41 -33,-0.2 -1,-0.2 -2,-0.2 -33,-0.1 0.514 93.9 97.6 89.1 6.0 10.1 -5.3 7.8 52 52 A K T < 5S- 0 0 127 -3,-1.3 -2,-0.1 0, 0.0 -34,-0.0 0.296 94.1-115.5-107.5 11.3 12.7 -5.7 5.1 53 53 A Q T 5S+ 0 0 142 -4,-0.1 -3,-0.1 1,-0.1 4,-0.1 0.875 70.6 140.1 57.2 39.7 12.4 -2.1 3.8 54 54 A E < + 0 0 106 -5,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.722 62.6 32.3 -84.4 -18.4 11.1 -3.4 0.5 55 55 A V S S- 0 0 23 -6,-0.1 5,-0.1 1,-0.1 -2,-0.0 -0.841 99.5 -71.5-135.1 166.7 8.5 -0.6 0.1 56 56 A I >> - 0 0 28 -2,-0.3 4,-1.4 1,-0.1 3,-0.9 -0.159 52.3-108.2 -54.4 152.3 8.1 3.1 1.0 57 57 A R H 3> S+ 0 0 44 24,-0.3 4,-2.5 1,-0.2 5,-0.3 0.868 114.2 61.0 -51.0 -49.2 7.5 3.8 4.7 58 58 A G H 3> S+ 0 0 0 22,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.816 106.3 48.7 -51.6 -34.7 3.8 4.7 4.5 59 59 A W H <> S+ 0 0 8 -3,-0.9 4,-2.6 21,-0.3 5,-0.4 0.884 107.5 52.7 -73.9 -42.4 3.1 1.2 3.2 60 60 A E H X S+ 0 0 20 -4,-1.4 4,-1.2 1,-0.2 -2,-0.2 0.962 119.1 37.0 -57.2 -51.0 5.1 -0.6 5.9 61 61 A E H < S+ 0 0 53 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.874 120.0 46.5 -70.9 -39.5 3.2 1.3 8.5 62 62 A G H >< S+ 0 0 0 -4,-2.2 3,-1.2 -5,-0.3 -3,-0.2 0.944 113.1 45.0 -71.1 -47.8 -0.2 1.4 6.8 63 63 A V H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.827 103.8 64.9 -67.4 -30.7 -0.5 -2.3 5.7 64 64 A A T 3< S+ 0 0 35 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.2 0.741 99.5 56.0 -62.9 -20.5 0.7 -3.4 9.1 65 65 A Q T < S+ 0 0 111 -3,-1.2 -1,-0.3 -4,-0.4 2,-0.3 0.441 93.8 87.6 -91.3 0.6 -2.5 -1.9 10.4 66 66 A M < - 0 0 0 -3,-1.9 2,-0.3 -4,-0.1 36,-0.0 -0.676 66.0-141.9-102.0 151.1 -4.8 -3.9 8.1 67 67 A S > - 0 0 3 -2,-0.3 3,-2.1 -52,-0.2 36,-0.3 -0.746 42.7 -76.2-105.5 159.8 -6.3 -7.4 8.7 68 68 A V T 3 S+ 0 0 34 -54,-1.7 -57,-1.4 -2,-0.3 36,-0.2 -0.337 119.9 22.4 -56.9 126.2 -6.7 -10.1 6.0 69 69 A G T 3 S+ 0 0 32 34,-3.3 -1,-0.3 1,-0.4 35,-0.1 0.107 93.3 130.8 103.0 -18.3 -9.6 -9.3 3.7 70 70 A Q < - 0 0 16 -3,-2.1 33,-2.4 33,-0.1 2,-0.4 -0.334 40.9-160.9 -72.1 146.3 -9.6 -5.6 4.5 71 71 A R E +AE 8 102A 86 -63,-2.4 -64,-3.1 31,-0.2 -63,-2.0 -0.993 22.4 165.3-124.4 132.7 -9.7 -3.0 1.8 72 72 A A E -AE 6 101A 0 29,-2.8 29,-3.3 -2,-0.4 2,-0.6 -0.975 38.7-122.6-149.7 159.9 -8.6 0.5 2.7 73 73 A K E -AE 5 100A 60 -68,-3.0 -68,-2.4 -2,-0.3 2,-0.5 -0.930 27.6-163.1-103.6 120.2 -7.5 3.9 1.3 74 74 A L E -AE 4 99A 0 25,-2.7 25,-2.6 -2,-0.6 2,-0.6 -0.938 2.6-161.1-108.2 125.0 -4.1 4.9 2.6 75 75 A T E -AE 3 98A 39 -72,-2.4 -72,-2.4 -2,-0.5 2,-0.5 -0.944 13.5-167.4-107.8 119.1 -3.2 8.6 2.2 76 76 A I E -AE 2 97A 0 21,-3.4 21,-2.3 -2,-0.6 -74,-0.2 -0.932 13.7-138.9-117.3 125.0 0.5 9.0 2.4 77 77 A S > - 0 0 26 -76,-2.2 3,-1.9 -2,-0.5 4,-0.2 -0.382 33.2-105.2 -74.2 157.7 2.4 12.3 2.8 78 78 A P G > >S+ 0 0 27 0, 0.0 3,-2.6 0, 0.0 5,-2.4 0.871 118.0 61.6 -50.8 -46.1 5.6 12.9 0.8 79 79 A D G 3 5S+ 0 0 64 1,-0.3 -22,-0.1 3,-0.2 5,-0.1 0.711 108.4 45.3 -56.9 -20.3 7.9 12.4 3.8 80 80 A Y G < 5S+ 0 0 31 -3,-1.9 -22,-2.8 -79,-0.2 -21,-0.3 0.289 126.2 26.2-104.3 7.6 6.5 8.9 4.0 81 81 A A T < 5S- 0 0 22 -3,-2.6 -24,-0.3 -4,-0.2 15,-0.1 0.171 130.1 -26.6-130.9-109.6 6.8 8.2 0.3 82 82 A Y T >5S- 0 0 88 13,-0.4 4,-2.4 1,-0.2 3,-0.4 0.342 75.9-166.6-100.5 4.4 9.1 9.7 -2.3 83 83 A G T 4< - 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