==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 25-MAY-99 1QPL . 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) . 11417.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 78.5 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 . 35 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 1 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 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 49 0, 0.0 76,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-161.1 58.3 17.8 1.3 2 2 A V E -A 76 0A 33 74,-0.2 2,-0.4 56,-0.0 74,-0.2 -0.994 360.0-151.6-143.5 131.1 58.1 21.1 -0.6 3 3 A Q E -A 75 0A 116 72,-1.2 72,-2.3 -2,-0.4 2,-0.5 -0.873 5.8-157.4-105.2 137.3 59.4 21.9 -4.1 4 4 A V E -A 74 0A 41 -2,-0.4 2,-0.7 70,-0.2 70,-0.2 -0.950 5.4-170.4-117.7 112.4 60.5 25.4 -5.1 5 5 A E E -A 73 0A 97 68,-2.2 68,-1.9 -2,-0.5 2,-0.6 -0.877 20.7-137.9-106.5 103.0 60.5 26.3 -8.9 6 6 A T E +A 72 0A 91 -2,-0.7 66,-0.3 66,-0.2 -2,-0.0 -0.442 31.0 168.0 -61.3 106.0 62.2 29.7 -9.5 7 7 A I E + 0 0 91 64,-2.7 65,-0.2 -2,-0.6 -1,-0.2 0.924 69.8 26.6 -84.2 -55.9 59.9 31.3 -12.1 8 8 A S E S-A 71 0A 49 63,-2.1 63,-1.2 61,-0.0 -1,-0.3 -0.869 91.2-111.2-111.4 137.7 61.5 34.8 -11.9 9 9 A P - 0 0 111 0, 0.0 63,-0.0 0, 0.0 2,-0.0 -0.501 39.0-157.3 -66.0 126.7 65.1 35.5 -10.8 10 10 A G - 0 0 27 -2,-0.2 59,-0.2 60,-0.1 58,-0.1 -0.054 40.3 -73.2 -89.1-160.9 65.1 37.2 -7.4 11 11 A D - 0 0 88 57,-2.9 58,-0.1 3,-0.2 4,-0.1 0.850 53.7-147.7 -63.0 -37.4 67.7 39.3 -5.7 12 12 A G S S+ 0 0 52 2,-0.2 -1,-0.1 56,-0.2 3,-0.1 0.256 84.1 47.7 84.7 -11.2 69.8 36.3 -5.2 13 13 A R S S+ 0 0 216 1,-0.2 2,-0.7 55,-0.2 -1,-0.1 0.691 87.0 76.8-125.5 -46.1 71.2 37.7 -1.9 14 14 A T + 0 0 65 54,-0.1 54,-2.1 0, 0.0 -2,-0.2 -0.683 56.8 174.3 -81.2 114.7 68.4 39.1 0.4 15 15 A F - 0 0 90 -2,-0.7 52,-0.2 52,-0.2 49,-0.1 -0.905 38.1 -90.3-121.0 147.9 66.6 36.3 2.2 16 16 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 6,-0.0 -0.279 38.7-141.8 -57.2 134.2 63.8 36.6 4.9 17 17 A K > - 0 0 155 4,-0.1 3,-2.7 1,-0.1 2,-0.9 -0.749 31.2 -93.8 -99.8 147.5 65.0 36.6 8.5 18 18 A R T 3 S+ 0 0 212 -2,-0.3 33,-0.1 1,-0.3 3,-0.1 -0.437 119.4 26.6 -61.2 96.8 63.2 34.8 11.4 19 19 A G T 3 S+ 0 0 31 -2,-0.9 -1,-0.3 31,-0.5 2,-0.1 0.211 95.5 112.8 132.9 -14.2 61.1 37.7 12.6 20 20 A Q < - 0 0 61 -3,-2.7 30,-2.2 29,-0.1 2,-0.5 -0.376 67.8-109.9 -84.0 167.6 60.8 39.9 9.5 21 21 A T E -B 49 0A 23 28,-0.2 86,-1.5 -2,-0.1 2,-0.5 -0.867 23.8-153.9-103.3 123.6 57.6 40.6 7.5 22 22 A C E -BC 48 106A 0 26,-2.9 26,-1.5 -2,-0.5 2,-0.7 -0.865 3.7-159.3 -97.5 125.1 57.3 39.1 4.1 23 23 A V E +BC 47 105A 11 82,-2.3 81,-1.8 -2,-0.5 82,-1.3 -0.928 27.9 163.4-105.9 111.0 55.0 41.0 1.7 24 24 A V E -BC 46 103A 0 22,-2.7 22,-2.1 -2,-0.7 2,-0.4 -0.831 35.2-146.0-129.5 168.7 53.9 38.7 -1.0 25 25 A H E + C 0 102A 32 77,-1.4 77,-2.8 -2,-0.3 2,-0.3 -0.977 34.2 160.1-128.7 140.2 51.3 38.2 -3.8 26 26 A Y E - C 0 101A 21 -2,-0.4 13,-2.4 75,-0.2 14,-0.7 -0.989 33.3-147.9-158.8 166.9 50.1 34.8 -4.6 27 27 A T E -DC 38 100A 13 73,-0.8 73,-2.4 -2,-0.3 2,-0.4 -0.929 20.8-147.4-134.3 150.2 47.5 32.5 -6.2 28 28 A G E +DC 37 99A 0 9,-3.0 8,-3.0 -2,-0.3 9,-1.2 -0.992 23.4 160.6-128.1 131.5 46.6 29.1 -4.9 29 29 A M E -DC 35 98A 56 69,-2.4 69,-2.8 -2,-0.4 6,-0.3 -0.904 31.4-118.0-141.5 166.4 45.5 26.1 -7.0 30 30 A L E > - C 0 97A 13 4,-2.2 3,-1.1 -2,-0.3 67,-0.2 -0.605 39.1 -98.9-100.7 168.6 45.3 22.3 -6.7 31 31 A E T 3 S+ 0 0 143 65,-0.8 2,-0.8 1,-0.3 66,-0.1 0.878 122.7 63.3 -53.4 -39.6 47.1 19.7 -8.9 32 32 A D T 3 S- 0 0 100 1,-0.1 2,-2.4 2,-0.1 -1,-0.3 -0.079 119.3-110.0 -79.1 35.3 43.9 19.4 -10.9 33 33 A G S < S+ 0 0 41 -3,-1.1 -1,-0.1 -2,-0.8 -2,-0.1 -0.217 73.5 136.3 72.1 -52.3 44.2 23.0 -12.0 34 34 A K - 0 0 84 -2,-2.4 -4,-2.2 -5,-0.2 2,-0.2 0.024 45.6-144.8 -34.1 118.5 41.3 24.4 -10.0 35 35 A K E +D 29 0A 49 -6,-0.3 -6,-0.3 1,-0.1 113,-0.1 -0.599 20.9 178.9 -87.9 153.6 42.3 27.6 -8.3 36 36 A F E + 0 0 21 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.455 61.7 13.4-133.0 -7.2 40.9 28.5 -4.9 37 37 A D E +D 28 0A 21 -9,-1.2 -9,-3.0 111,-0.1 -1,-0.4 -0.959 48.3 179.8-168.8 151.9 42.4 31.9 -3.9 38 38 A S E > -D 27 0A 5 -2,-0.3 4,-0.7 -11,-0.3 -11,-0.2 -0.813 14.5-168.0-162.6 114.3 44.3 34.9 -5.4 39 39 A S T 4>S+ 0 0 0 -13,-2.4 5,-1.0 -2,-0.2 3,-0.2 0.770 90.9 66.3 -74.1 -26.3 45.5 38.0 -3.6 40 40 A R T >45S+ 0 0 66 -14,-0.7 3,-1.3 1,-0.2 -1,-0.2 0.895 97.5 52.9 -61.4 -39.7 46.2 39.6 -6.9 41 41 A D T 345S+ 0 0 58 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.819 111.5 45.9 -66.6 -30.2 42.5 39.6 -7.8 42 42 A R T 3<5S- 0 0 65 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.245 104.1-131.2 -96.5 13.3 41.7 41.4 -4.5 43 43 A N T < 5S+ 0 0 121 -3,-1.3 -3,-0.2 1,-0.1 -2,-0.1 0.525 73.1 112.9 50.2 12.1 44.6 44.0 -5.0 44 44 A K < - 0 0 146 -5,-1.0 -2,-0.2 0, 0.0 -1,-0.1 -0.937 61.5-140.6-119.4 110.0 45.8 43.3 -1.4 45 45 A P - 0 0 42 0, 0.0 2,-0.5 0, 0.0 -20,-0.2 -0.383 26.0-108.5 -65.5 144.5 49.2 41.6 -0.9 46 46 A F E -B 24 0A 62 -22,-2.1 -22,-2.7 -2,-0.1 2,-0.4 -0.644 33.9-164.6 -82.1 124.7 49.5 39.0 1.8 47 47 A K E +B 23 0A 117 -2,-0.5 2,-0.3 -24,-0.2 -24,-0.2 -0.906 19.8 149.5-110.9 134.9 51.6 40.1 4.8 48 48 A F E -B 22 0A 2 -26,-1.5 -26,-2.9 -2,-0.4 2,-0.3 -0.974 40.1-118.3-161.0 149.1 52.9 37.7 7.4 49 49 A M E > > -B 21 0A 64 -2,-0.3 3,-0.7 -28,-0.2 5,-0.5 -0.690 34.2-115.0 -91.8 145.1 55.9 37.4 9.7 50 50 A L T 3 5S+ 0 0 10 -30,-2.2 -31,-0.5 -33,-0.4 -1,-0.0 -0.585 92.1 8.2 -82.8 137.8 58.3 34.5 9.4 51 51 A G T 3 5S+ 0 0 42 -2,-0.3 -1,-0.2 -33,-0.1 -33,-0.1 0.481 95.6 105.3 75.5 4.0 58.6 32.0 12.2 52 52 A K T < 5S- 0 0 136 -3,-0.7 -2,-0.1 0, 0.0 -1,-0.1 0.224 94.6-112.4 -98.3 13.3 55.7 33.4 14.2 53 53 A Q T 5S+ 0 0 179 1,-0.1 -3,-0.1 2,-0.1 4,-0.1 0.863 78.9 131.1 59.3 38.0 53.4 30.5 13.2 54 54 A E < + 0 0 106 -5,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.556 68.4 33.2 -93.4 -10.6 51.2 32.8 11.1 55 55 A V S S- 0 0 29 -6,-0.1 -2,-0.1 1,-0.0 -4,-0.1 -0.929 92.6 -81.9-142.4 165.2 51.4 30.4 8.1 56 56 A I > - 0 0 33 -2,-0.3 4,-2.5 1,-0.1 3,-0.5 -0.239 46.9-103.9 -65.5 154.5 51.5 26.8 7.2 57 57 A R H > S+ 0 0 130 1,-0.2 4,-2.7 24,-0.2 5,-0.4 0.841 117.4 56.1 -45.0 -52.2 54.8 24.8 7.1 58 58 A G H > S+ 0 0 0 22,-2.1 4,-2.8 1,-0.2 5,-0.4 0.931 111.7 43.4 -51.0 -49.5 55.2 24.8 3.3 59 59 A W H >>S+ 0 0 10 -3,-0.5 4,-2.9 21,-0.3 5,-0.6 0.956 111.0 57.4 -61.7 -47.1 55.0 28.6 3.2 60 60 A E H X5S+ 0 0 40 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.901 121.1 24.4 -48.5 -55.7 57.3 28.8 6.2 61 61 A E H X5S+ 0 0 81 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.931 122.6 53.0 -79.5 -47.3 60.2 26.8 4.6 62 62 A G H ><5S+ 0 0 0 -4,-2.8 3,-0.5 -5,-0.4 -3,-0.2 0.897 116.0 39.9 -55.7 -44.1 59.4 27.5 1.0 63 63 A V H ><5S+ 0 0 0 -4,-2.9 3,-2.1 -5,-0.4 -1,-0.2 0.866 104.1 68.2 -75.7 -32.9 59.3 31.2 1.4 64 64 A A H 3< - 0 0 3 -2,-0.5 3,-1.8 -52,-0.2 36,-0.3 -0.519 38.1 -81.8 -81.2 156.8 65.2 35.9 -2.2 68 68 A V T 3 S+ 0 0 32 -54,-2.1 -57,-2.9 1,-0.2 -56,-0.2 -0.220 116.9 23.8 -58.4 144.5 63.4 39.2 -2.6 69 69 A G T 3 S+ 0 0 33 34,-2.8 -1,-0.2 1,-0.3 2,-0.1 0.170 95.5 130.8 85.5 -16.9 61.9 40.0 -6.0 70 70 A Q < - 0 0 16 -3,-1.8 33,-2.5 33,-0.1 2,-0.5 -0.418 45.0-157.8 -74.3 139.7 61.8 36.2 -6.7 71 71 A R E +AE 8 102A 72 -63,-1.2 -64,-2.7 31,-0.2 -63,-2.1 -0.984 21.6 174.1-117.8 122.4 58.7 34.6 -8.0 72 72 A A E -AE 6 101A 0 29,-2.5 29,-2.0 -2,-0.5 2,-0.6 -0.930 33.4-128.8-133.2 157.2 58.4 30.8 -7.3 73 73 A K E -AE 5 100A 93 -68,-1.9 -68,-2.2 -2,-0.3 2,-0.5 -0.912 28.2-154.6-103.3 117.8 56.0 28.0 -7.7 74 74 A L E -AE 4 99A 0 25,-3.0 25,-2.3 -2,-0.6 2,-0.7 -0.869 11.4-167.2-100.2 128.3 55.5 26.1 -4.5 75 75 A T E -AE 3 98A 26 -72,-2.3 -72,-1.2 -2,-0.5 2,-0.3 -0.767 18.5-169.8-113.6 81.9 54.5 22.5 -4.5 76 76 A I E -AE 2 97A 0 21,-1.8 21,-1.8 -2,-0.7 -74,-0.2 -0.576 16.3-132.5 -78.0 130.7 53.6 21.9 -0.9 77 77 A S >> - 0 0 17 -76,-1.9 3,-2.6 -2,-0.3 4,-0.8 -0.556 26.6-110.3 -80.6 147.7 52.9 18.3 0.3 78 78 A P G >4>S+ 0 0 26 0, 0.0 5,-2.0 0, 0.0 3,-1.0 0.811 117.0 58.8 -43.7 -44.6 49.7 17.7 2.5 79 79 A D G 345S+ 0 0 117 1,-0.3 -22,-0.1 3,-0.2 5,-0.1 0.679 109.8 44.5 -64.0 -16.9 51.7 17.1 5.6 80 80 A Y G <45S+ 0 0 58 -3,-2.6 -22,-2.1 -79,-0.2 -21,-0.3 0.497 128.6 26.7-100.2 -12.3 53.3 20.6 5.3 81 81 A A T <<5S- 0 0 20 -3,-1.0 2,-0.3 -4,-0.8 -24,-0.2 0.282 132.4 -37.6-113.9-116.6 49.9 22.1 4.5 82 82 A Y T >5S+ 0 0 70 13,-0.3 12,-0.6 1,-0.2 4,-0.5 -0.499 73.7 150.3-116.6 61.8 46.5 20.7 5.6 83 83 A G T 4< + 0 0 13 -5,-2.0 11,-1.7 -2,-0.3 -4,-0.2 0.945 68.4 42.5 -57.6 -55.2 47.2 17.0 5.3 84 84 A A T 4 S- 0 0 88 -6,-0.2 -1,-0.1 -3,-0.2 -2,-0.1 0.943 137.3 -1.6 -60.7 -56.6 44.9 15.7 8.1 85 85 A T T 4 S- 0 0 103 1,-0.3 2,-0.3 8,-0.1 -2,-0.1 0.657 78.6-153.6-114.8 -20.1 41.7 17.8 7.6 86 86 A G < - 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