==== 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 24-MAY-99 1QPF . COMPND 2 MOLECULE: PROTEIN (FK506-BINDING PROTEIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.W.BECKER,J.ROTONDA . 214 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11396.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 77.6 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 . 78 36.4 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 . 25 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 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 . 3 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 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 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 33 0, 0.0 76,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-152.9 4.6 40.9 122.6 2 2 A V E -A 76 0A 8 74,-0.2 2,-0.4 112,-0.1 112,-0.3 -0.902 360.0-162.3-113.8 137.2 7.8 41.6 120.7 3 3 A Q E -A 75 0A 44 72,-1.3 72,-2.5 -2,-0.4 2,-0.4 -0.982 6.2-153.7-121.4 129.1 11.2 40.0 121.6 4 4 A V E -AB 74 112A 1 108,-2.3 108,-2.8 -2,-0.4 2,-0.4 -0.864 11.8-178.6-104.9 133.5 14.5 41.5 120.4 5 5 A E E -A 73 0A 47 68,-1.1 68,-1.8 -2,-0.4 2,-0.3 -0.931 24.3-138.7-131.1 103.9 17.6 39.4 119.8 6 6 A T E +A 72 0A 25 -2,-0.4 66,-0.3 66,-0.2 104,-0.2 -0.482 24.7 175.8 -68.9 124.9 20.5 41.5 118.7 7 7 A I E S+ 0 0 77 64,-3.3 65,-0.2 1,-0.4 -1,-0.2 0.868 77.3 11.7 -89.8 -54.1 22.7 39.9 116.0 8 8 A S E S-A 71 0A 57 63,-1.9 63,-2.5 61,-0.0 -1,-0.4 -0.988 86.1-114.8-130.8 133.3 25.0 42.8 115.5 9 9 A P - 0 0 109 0, 0.0 2,-0.2 0, 0.0 63,-0.0 -0.187 22.8-145.8 -62.7 154.4 25.3 45.9 117.8 10 10 A G - 0 0 23 60,-0.1 59,-0.2 59,-0.0 58,-0.1 -0.412 43.6 -80.1-107.8-171.4 24.4 49.5 116.7 11 11 A D - 0 0 60 57,-2.0 58,-0.1 -2,-0.2 57,-0.0 0.719 52.9-140.1 -66.0 -18.2 26.1 52.7 117.8 12 12 A G S S+ 0 0 32 2,-0.2 111,-0.2 56,-0.1 -1,-0.1 0.616 85.8 68.0 69.0 12.7 24.1 52.5 121.0 13 13 A R S S+ 0 0 199 1,-0.2 2,-0.8 55,-0.2 -1,-0.1 0.664 77.7 68.7-126.0 -50.3 23.4 56.3 120.8 14 14 A T + 0 0 67 54,-0.2 54,-1.6 92,-0.0 -1,-0.2 -0.705 59.0 171.7 -84.8 110.8 21.2 57.3 117.9 15 15 A F - 0 0 32 -2,-0.8 2,-0.2 52,-0.2 52,-0.2 -0.920 39.2-101.4-117.5 143.4 17.6 56.0 118.5 16 16 A P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 50,-0.1 -0.446 32.9-147.4 -67.5 129.7 14.6 56.9 116.3 17 17 A K > - 0 0 97 -2,-0.2 3,-1.9 1,-0.1 2,-0.5 -0.686 37.4 -87.4 -91.9 151.7 12.4 59.6 117.9 18 18 A R T 3 S+ 0 0 217 -2,-0.3 33,-0.2 1,-0.3 3,-0.1 -0.463 119.6 39.7 -64.1 110.6 8.6 59.4 117.2 19 19 A G T 3 S+ 0 0 48 31,-1.4 -1,-0.3 -2,-0.5 2,-0.2 0.287 90.6 109.8 131.8 -5.2 8.3 61.3 113.9 20 20 A Q < - 0 0 63 -3,-1.9 30,-2.6 30,-0.1 2,-0.5 -0.620 68.0-114.8 -99.4 160.2 11.4 60.1 112.0 21 21 A T E -C 49 0A 35 86,-1.6 86,-2.0 28,-0.2 2,-0.5 -0.816 25.3-150.7 -95.4 126.4 11.7 57.9 109.0 22 22 A C E -CD 48 106A 0 26,-2.7 26,-1.3 -2,-0.5 2,-0.6 -0.867 1.7-155.9 -99.7 129.4 13.4 54.5 109.6 23 23 A V E +CD 47 105A 2 82,-2.2 81,-2.3 -2,-0.5 82,-1.0 -0.936 28.1 169.0-104.0 117.6 15.3 53.0 106.7 24 24 A V E -CD 46 103A 0 22,-2.8 22,-2.0 -2,-0.6 2,-0.4 -0.802 37.1-144.3-129.0 169.5 15.6 49.2 107.2 25 25 A H E + D 0 102A 20 77,-1.4 77,-1.7 -2,-0.3 2,-0.3 -0.968 36.8 175.2-132.0 109.5 16.5 46.0 105.4 26 26 A Y E - D 0 101A 22 -2,-0.4 13,-2.1 75,-0.2 14,-1.0 -0.767 29.8-159.3-120.4 167.0 14.3 43.1 106.6 27 27 A T E -ED 38 100A 18 73,-1.5 73,-2.4 -2,-0.3 2,-0.5 -0.952 21.3-146.1-143.0 111.6 13.5 39.5 105.9 28 28 A G E +ED 37 99A 0 9,-2.4 8,-2.5 -2,-0.4 9,-1.3 -0.783 24.6 174.9 -87.2 125.8 10.1 38.3 107.1 29 29 A M E -ED 35 98A 23 69,-2.9 69,-2.7 -2,-0.5 6,-0.2 -0.880 25.0-125.3-128.1 159.6 10.0 34.7 108.3 30 30 A L E > - D 0 97A 19 4,-2.5 3,-2.0 -2,-0.3 67,-0.2 -0.621 43.9 -90.0 -99.3 164.0 7.5 32.4 109.9 31 31 A E T 3 S+ 0 0 151 65,-1.0 66,-0.1 1,-0.3 -1,-0.1 0.747 126.6 53.5 -41.0 -34.4 7.8 30.5 113.1 32 32 A D T 3 S- 0 0 102 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 -0.076 121.7-100.4 -98.1 32.0 9.3 27.6 111.2 33 33 A G S < S+ 0 0 53 -3,-2.0 2,-0.2 1,-0.2 -2,-0.1 0.205 76.4 141.3 75.3 -20.4 12.1 29.5 109.3 34 34 A K - 0 0 130 -5,-0.1 -4,-2.5 1,-0.1 2,-0.3 -0.404 47.1-137.4 -60.2 121.4 10.0 29.7 106.1 35 35 A K E +E 29 0A 108 -6,-0.2 -6,-0.3 -2,-0.2 3,-0.1 -0.655 25.8 176.9 -83.7 136.2 10.6 33.1 104.5 36 36 A F E - 0 0 59 -8,-2.5 2,-0.3 1,-0.4 -7,-0.2 0.538 66.9 -1.1-114.0 -10.8 7.6 35.0 103.1 37 37 A D E -E 28 0A 56 -9,-1.3 -9,-2.4 4,-0.0 -1,-0.4 -0.955 54.0-171.9-172.0 155.4 9.3 38.3 102.0 38 38 A S E > -E 27 0A 4 -2,-0.3 4,-0.9 -11,-0.3 -11,-0.2 -0.879 21.1-157.9-160.5 126.1 12.6 40.1 102.0 39 39 A S T 4>S+ 0 0 0 -13,-2.1 5,-2.1 -2,-0.3 4,-0.3 0.777 99.1 64.3 -72.4 -25.5 13.6 43.6 101.1 40 40 A R T >45S+ 0 0 72 -14,-1.0 3,-1.6 3,-0.2 -1,-0.2 0.936 94.0 56.8 -62.6 -47.8 17.0 42.2 100.5 41 41 A D T 345S+ 0 0 117 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.888 117.2 34.7 -51.5 -45.3 16.0 40.0 97.6 42 42 A R T 3<5S- 0 0 123 -4,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.370 106.4-132.3 -91.2 4.2 14.6 43.0 95.7 43 43 A N T < 5 + 0 0 118 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.831 61.5 134.1 45.9 43.7 17.5 45.2 97.2 44 44 A K < - 0 0 135 -5,-2.1 -1,-0.2 0, 0.0 -2,-0.1 -0.960 53.3-135.8-124.9 107.6 15.0 47.9 98.1 45 45 A P - 0 0 59 0, 0.0 2,-0.3 0, 0.0 -20,-0.2 -0.443 23.4-128.8 -62.1 134.9 15.4 49.4 101.6 46 46 A F E -C 24 0A 66 -22,-2.0 -22,-2.8 -2,-0.1 2,-0.4 -0.640 22.5-163.8 -87.7 146.1 12.0 49.8 103.3 47 47 A K E +C 23 0A 107 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 -0.998 15.0 162.0-135.3 135.8 11.0 53.1 104.9 48 48 A F E -C 22 0A 6 -26,-1.3 -26,-2.7 -2,-0.4 2,-0.6 -0.977 38.3-114.3-147.9 151.4 8.2 53.9 107.4 49 49 A M E > -C 21 0A 61 -2,-0.3 3,-0.6 -28,-0.2 5,-0.4 -0.825 30.5-128.7 -94.1 118.7 7.5 56.8 109.7 50 50 A L T 3 S+ 0 0 10 -30,-2.6 -31,-1.4 -2,-0.6 -30,-0.1 -0.508 92.5 30.3 -66.6 125.1 7.7 55.9 113.4 51 51 A G T 3 S+ 0 0 24 1,-0.4 2,-0.3 -2,-0.3 -1,-0.2 -0.413 91.5 94.8 124.2 -56.6 4.6 57.1 115.1 52 52 A K S X S- 0 0 124 -3,-0.6 2,-3.0 1,-0.1 3,-0.5 -0.552 86.1-120.3 -69.1 127.2 2.0 56.9 112.3 53 53 A Q T 3 S+ 0 0 143 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 -0.359 74.4 125.2 -71.4 65.9 0.3 53.5 112.7 54 54 A E T 3 + 0 0 109 -2,-3.0 -1,-0.2 -5,-0.4 2,-0.1 0.905 64.6 44.0 -87.5 -51.5 1.4 52.4 109.3 55 55 A V S < S- 0 0 30 -3,-0.5 5,-0.0 -6,-0.2 2,-0.0 -0.285 103.2 -72.1 -90.3 173.9 3.2 49.1 110.2 56 56 A I >> - 0 0 26 1,-0.1 4,-1.6 -2,-0.1 3,-1.2 -0.345 46.1-111.6 -66.2 148.6 2.3 46.3 112.6 57 57 A R H 3> S+ 0 0 135 1,-0.3 4,-2.4 24,-0.3 5,-0.3 0.819 114.8 61.8 -49.3 -40.8 2.5 47.1 116.4 58 58 A G H 3> S+ 0 0 0 22,-2.4 4,-2.5 1,-0.2 -1,-0.3 0.867 106.0 45.9 -56.5 -39.8 5.5 44.8 116.9 59 59 A W H <>>S+ 0 0 10 -3,-1.2 4,-2.3 21,-0.3 5,-0.5 0.881 108.6 55.7 -70.5 -40.9 7.6 46.9 114.5 60 60 A E H X5S+ 0 0 19 -4,-1.6 4,-1.0 1,-0.2 -2,-0.2 0.961 120.3 31.2 -55.2 -52.5 6.5 50.2 116.1 61 61 A E H X5S+ 0 0 72 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.812 121.4 51.5 -76.2 -34.0 7.7 48.9 119.5 62 62 A G H ><5S+ 0 0 0 -4,-2.5 3,-1.0 -5,-0.3 -3,-0.2 0.960 112.9 40.1 -70.2 -53.6 10.6 46.7 118.2 63 63 A V H ><5S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 -1,-0.2 0.831 103.6 71.1 -66.4 -31.7 12.4 49.2 115.9 64 64 A A H 3< - 0 0 3 -2,-0.3 3,-2.5 -52,-0.2 36,-0.3 -0.840 40.4 -77.8-112.4 152.8 20.0 52.0 117.3 68 68 A V T 3 S+ 0 0 37 -54,-1.6 -57,-2.0 -2,-0.3 36,-0.2 -0.233 119.4 22.5 -51.8 123.9 21.5 52.8 113.8 69 69 A G T 3 S+ 0 0 35 34,-2.7 -1,-0.3 1,-0.4 2,-0.1 0.114 92.3 132.1 103.9 -16.3 23.6 50.0 112.5 70 70 A Q < - 0 0 14 -3,-2.5 33,-2.6 33,-0.1 2,-0.5 -0.431 40.6-161.6 -73.9 139.5 21.9 47.4 114.7 71 71 A R E +AF 8 102A 67 -63,-2.5 -64,-3.3 31,-0.2 -63,-1.9 -0.980 24.6 163.3-121.5 112.9 20.8 44.1 113.2 72 72 A A E -AF 6 101A 0 29,-2.5 29,-3.0 -2,-0.5 2,-0.6 -0.808 38.1-121.5-129.3 167.9 18.2 42.3 115.4 73 73 A K E -AF 5 100A 60 -68,-1.8 -68,-1.1 -2,-0.3 2,-0.6 -0.962 23.4-156.6-113.7 116.1 15.6 39.6 115.2 74 74 A L E -AF 4 99A 0 25,-2.8 25,-2.5 -2,-0.6 2,-0.8 -0.854 3.3-164.8 -95.1 116.4 12.0 40.6 116.1 75 75 A T E -AF 3 98A 28 -72,-2.5 -72,-1.3 -2,-0.6 2,-0.4 -0.889 14.4-168.0-103.7 104.2 9.8 37.8 117.4 76 76 A I E -AF 2 97A 0 21,-2.6 21,-1.6 -2,-0.8 -74,-0.2 -0.795 13.7-137.8 -98.4 131.4 6.2 39.2 117.2 77 77 A S > - 0 0 21 -76,-1.8 3,-2.5 -2,-0.4 4,-0.4 -0.507 34.8-100.8 -80.2 157.5 3.2 37.4 118.8 78 78 A P G > >S+ 0 0 19 0, 0.0 5,-2.2 0, 0.0 3,-2.0 0.831 119.9 60.2 -44.2 -47.9 -0.1 37.3 116.8 79 79 A D G 3 5S+ 0 0 115 1,-0.3 -22,-0.1 3,-0.1 5,-0.1 0.571 107.4 46.3 -62.2 -10.5 -1.7 40.1 118.8 80 80 A Y G < 5S+ 0 0 48 -3,-2.5 -22,-2.4 -79,-0.2 -21,-0.3 0.332 122.9 31.0-111.7 1.4 1.1 42.5 117.6 81 81 A A T < 5S- 0 0 20 -3,-2.0 -24,-0.3 -4,-0.4 15,-0.1 0.255 130.0 -31.9-122.0-110.9 1.0 41.4 114.0 82 82 A Y T 5S- 0 0 118 13,-0.3 3,-0.2 1,-0.2 -3,-0.1 0.428 77.1-163.6-100.6 -1.2 -2.0 40.2 112.0 83 83 A G < - 0 0 19 -5,-2.2 11,-2.2 12,-0.2 12,-0.5 -0.197 50.8 -17.0 62.9-141.7 -3.9 38.5 114.8 84 84 A A S S+ 0 0 55 9,-0.2 2,-0.4 10,-0.2 10,-0.2 0.959 109.4 82.6 -67.9 -57.1 -6.7 36.0 114.4 85 85 A T S S- 0 0 103 -3,-0.2 2,-0.1 8,-0.2 -1,-0.0 -0.364 70.1-154.7 -58.6 110.5 -7.8 36.5 110.8 86 86 A G - 0 0 17 -2,-0.4 -2,-0.1 7,-0.1 -1,-0.1 -0.461 10.7-141.3 -84.6 160.7 -5.4 34.5 108.6 87 87 A H B >> -L 91 0B 103 4,-3.7 3,-2.0 -2,-0.1 4,-1.4 -0.750 28.2-128.6-126.1 82.2 -4.7 35.3 105.0 88 88 A P T 34 S+ 0 0 127 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.131 88.0 24.4 -31.6 126.2 -4.5 32.0 103.1 89 89 A G T 34 S+ 0 0 81 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.035 131.4 31.1 104.2 -30.7 -1.3 31.6 101.1 90 90 A I T <4 S+ 0 0 107 -3,-2.0 -1,-0.1 1,-0.2 -4,-0.0 0.696 123.2 16.0-121.7 -60.3 0.9 34.0 102.9 91 91 A I B < -L 87 0B 16 -4,-1.4 -4,-3.7 -61,-0.0 -1,-0.2 -0.975 69.4-144.5-129.3 116.7 0.2 34.3 106.7 92 92 A P > - 0 0 61 0, 0.0 3,-0.6 0, 0.0 2,-0.1 -0.122 40.1 -73.9 -70.8 168.1 -1.9 31.7 108.6 93 93 A P T 3 S+ 0 0 85 0, 0.0 -9,-0.2 0, 0.0 -8,-0.2 -0.401 111.9 4.3 -67.2 143.4 -4.3 32.6 111.5 94 94 A H T 3 S+ 0 0 130 -11,-2.2 2,-0.3 -10,-0.2 -10,-0.2 0.898 91.4 171.7 49.3 55.2 -2.8 33.5 114.9 95 95 A A < - 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