==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 07-MAY-00 1EYM . COMPND 2 MOLECULE: FK506 BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.T.ROLLINS,V.M.RIVERA,D.N.WOOLFSON,T.KEENAN,M.HATADA, . 214 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10727.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 77.1 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 . 23 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.6 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 . 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 44 0, 0.0 76,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-166.3 19.9 24.9 38.2 2 2 A V E -A 76 0A 21 74,-0.2 2,-0.7 55,-0.1 74,-0.2 -0.986 360.0-152.8-126.8 120.5 17.6 25.9 35.3 3 3 A Q E -A 75 0A 139 72,-2.5 72,-2.6 -2,-0.4 2,-0.5 -0.858 15.2-156.3 -92.7 113.5 15.0 23.5 33.9 4 4 A V E -A 74 0A 43 -2,-0.7 2,-0.5 70,-0.2 70,-0.2 -0.792 11.7-176.2 -94.8 129.6 14.4 24.4 30.2 5 5 A E E -A 73 0A 121 68,-2.3 68,-2.2 -2,-0.5 -2,-0.0 -0.868 23.6-132.3-129.8 98.9 11.0 23.3 28.8 6 6 A T E +A 72 0A 80 -2,-0.5 66,-0.3 66,-0.3 64,-0.0 -0.149 28.9 172.2 -54.9 132.7 10.6 24.0 25.1 7 7 A I E S+ 0 0 94 64,-3.1 65,-0.2 1,-0.5 -1,-0.1 0.740 77.0 11.7-105.2 -44.1 7.5 25.8 23.9 8 8 A S E S-A 71 0A 51 63,-2.4 63,-2.4 0, 0.0 -1,-0.5 -0.995 84.7-115.0-139.3 136.2 8.5 26.4 20.2 9 9 A P - 0 0 103 0, 0.0 2,-0.1 0, 0.0 57,-0.0 -0.417 22.0-157.3 -75.3 147.9 11.6 24.8 18.4 10 10 A G - 0 0 23 -2,-0.1 59,-0.2 60,-0.1 58,-0.2 -0.018 50.0 -73.3 -99.3-151.1 14.5 26.9 17.1 11 11 A D - 0 0 70 57,-1.6 58,-0.1 3,-0.2 4,-0.1 0.551 56.3-135.4 -87.5 -5.8 16.8 25.8 14.3 12 12 A G S S+ 0 0 49 56,-0.2 3,-0.1 2,-0.2 57,-0.0 0.649 88.9 59.1 64.3 19.9 18.5 23.3 16.6 13 13 A R S S+ 0 0 202 1,-0.1 2,-0.8 55,-0.1 -1,-0.1 0.441 80.0 77.1-151.8 -9.0 22.1 24.1 15.5 14 14 A T + 0 0 53 54,-0.1 54,-1.8 2,-0.0 -3,-0.2 -0.850 60.1 166.2-111.7 90.4 22.7 27.8 16.3 15 15 A F - 0 0 64 -2,-0.8 52,-0.2 52,-0.2 2,-0.2 -0.798 44.4 -91.6-105.9 149.6 23.3 28.0 20.0 16 16 A P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.407 41.0-165.9 -63.9 127.1 24.8 30.9 21.9 17 17 A K > - 0 0 125 -2,-0.2 3,-1.8 1,-0.1 33,-0.3 -0.843 38.7 -78.4-110.0 150.3 28.6 30.7 22.3 18 18 A R T 3 S+ 0 0 216 -2,-0.3 33,-0.2 1,-0.2 3,-0.1 -0.168 115.4 29.8 -53.0 135.1 30.5 32.9 24.7 19 19 A G T 3 S+ 0 0 43 31,-1.8 -1,-0.2 1,-0.4 32,-0.1 0.003 92.7 114.1 106.1 -27.5 31.1 36.4 23.6 20 20 A Q < - 0 0 66 -3,-1.8 30,-1.7 29,-0.1 2,-0.6 -0.191 67.6-117.3 -73.2 165.9 28.0 36.7 21.4 21 21 A T E -B 49 0A 31 86,-1.8 86,-1.0 28,-0.2 2,-0.5 -0.940 23.6-146.0-110.3 118.6 25.0 39.1 22.1 22 22 A C E -BC 48 106A 0 26,-2.9 26,-1.7 -2,-0.6 2,-0.7 -0.745 5.8-159.6 -87.4 125.6 21.7 37.4 22.7 23 23 A V E +BC 47 105A 5 82,-2.7 82,-1.6 -2,-0.5 81,-1.1 -0.932 29.0 162.2-106.3 112.7 18.6 39.1 21.5 24 24 A V E -BC 46 103A 0 22,-2.5 22,-2.1 -2,-0.7 2,-0.5 -0.807 42.1-138.8-130.5 167.5 15.6 37.8 23.4 25 25 A H E + C 0 102A 23 77,-1.6 77,-1.3 -2,-0.3 2,-0.2 -0.987 40.3 178.1-124.1 111.9 12.0 38.5 24.3 26 26 A Y E - C 0 101A 5 -2,-0.5 13,-1.2 75,-0.2 14,-0.7 -0.705 30.5-164.4-116.8 172.0 11.4 37.6 28.0 27 27 A T E -DC 38 100A 22 73,-0.7 73,-1.6 -2,-0.2 2,-0.4 -0.814 18.1-155.9-153.9 99.9 8.8 37.5 30.7 28 28 A G E +DC 37 99A 0 9,-2.8 8,-2.6 -2,-0.3 9,-1.3 -0.700 20.5 172.1 -82.6 135.7 10.1 37.1 34.2 29 29 A M E -DC 35 98A 30 69,-1.4 69,-1.6 -2,-0.4 6,-0.2 -0.838 34.3-104.9-136.0 169.7 7.7 35.7 36.8 30 30 A L E > - C 0 97A 34 4,-1.4 3,-2.3 -2,-0.3 67,-0.2 -0.407 57.2 -83.7 -85.6 173.9 7.6 34.4 40.4 31 31 A E T 3 S+ 0 0 128 65,-0.8 66,-0.1 1,-0.3 -1,-0.0 0.846 129.7 51.3 -49.0 -42.5 7.4 30.6 40.9 32 32 A D T 3 S- 0 0 131 64,-0.1 -1,-0.3 1,-0.1 65,-0.1 0.338 127.4 -92.4 -80.1 5.6 3.6 30.5 40.5 33 33 A G < + 0 0 40 -3,-2.3 2,-0.6 1,-0.3 -2,-0.1 0.593 68.1 160.3 94.5 13.2 3.6 32.5 37.2 34 34 A K - 0 0 110 -4,-0.1 -4,-1.4 1,-0.1 -1,-0.3 -0.586 41.0-124.2 -73.6 113.8 3.2 36.0 38.7 35 35 A K E +D 29 0A 103 -2,-0.6 -6,-0.2 -6,-0.2 3,-0.1 -0.335 41.5 159.8 -61.6 133.6 4.3 38.4 36.0 36 36 A M E - 0 0 26 -8,-2.6 2,-0.3 1,-0.3 -7,-0.2 0.680 64.9 -2.2-119.3 -51.3 7.1 40.9 37.0 37 37 A D E -D 28 0A 1 -9,-1.3 -9,-2.8 160,-0.4 2,-0.4 -0.984 55.3-179.9-151.6 138.5 8.7 42.2 33.8 38 38 A S E > -D 27 0A 4 -2,-0.3 3,-1.4 -11,-0.2 4,-0.3 -0.965 23.3-155.1-143.4 123.8 8.2 41.6 30.2 39 39 A S G > >S+ 0 0 3 -13,-1.2 5,-1.5 -2,-0.4 3,-0.7 0.624 94.4 74.1 -70.7 -11.4 10.1 43.1 27.3 40 40 A R G 3 5S+ 0 0 67 -14,-0.7 -1,-0.3 1,-0.2 3,-0.2 0.751 85.0 63.4 -71.0 -25.8 7.0 42.3 25.2 41 41 A D G < 5S+ 0 0 94 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.721 112.0 36.6 -70.1 -19.7 5.2 45.2 26.9 42 42 A R T < 5S- 0 0 73 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.417 101.2-134.0-108.8 -5.8 7.7 47.5 25.3 43 43 A N T 5 + 0 0 137 -4,-0.5 -3,-0.2 1,-0.2 -4,-0.1 0.781 68.3 122.7 54.4 28.1 8.0 45.7 22.0 44 44 A K < - 0 0 138 -5,-1.5 -1,-0.2 0, 0.0 -2,-0.2 -0.980 62.5-129.5-122.9 119.1 11.8 46.0 22.4 45 45 A P - 0 0 48 0, 0.0 2,-0.4 0, 0.0 -20,-0.2 -0.458 22.6-127.6 -68.5 138.2 14.1 42.9 22.5 46 46 A F E -B 24 0A 48 -22,-2.1 -22,-2.5 -2,-0.1 2,-0.4 -0.738 21.0-152.5 -89.7 132.3 16.5 42.8 25.4 47 47 A K E +B 23 0A 97 -2,-0.4 2,-0.3 -24,-0.2 -24,-0.2 -0.877 19.5 165.1-110.5 137.1 20.2 42.2 24.6 48 48 A F E -B 22 0A 1 -26,-1.7 -26,-2.9 -2,-0.4 2,-0.4 -0.980 28.0-130.2-150.8 135.1 22.9 40.5 26.8 49 49 A M E > > -B 21 0A 55 -2,-0.3 3,-1.5 -28,-0.2 5,-0.5 -0.730 25.8-117.4 -91.5 130.8 26.4 39.1 26.1 50 50 A L T 3 5S+ 0 0 8 -30,-1.7 -31,-1.8 -2,-0.4 -1,-0.1 -0.431 97.6 24.7 -65.4 129.1 27.5 35.7 27.2 51 51 A G T 3 5S+ 0 0 36 -2,-0.2 -1,-0.2 -33,-0.2 -33,-0.0 0.338 98.5 90.0 98.8 -3.1 30.3 35.7 29.7 52 52 A K T < 5S- 0 0 121 -3,-1.5 -2,-0.1 0, 0.0 -3,-0.0 0.392 88.6-129.9-103.6 0.6 29.7 39.2 31.1 53 53 A Q T 5 + 0 0 172 -4,-0.2 -3,-0.1 1,-0.1 4,-0.1 0.875 55.8 149.2 49.9 43.4 27.3 38.1 33.9 54 54 A E < + 0 0 100 -5,-0.5 2,-0.2 2,-0.1 -1,-0.1 0.770 65.0 27.1 -75.4 -28.4 24.8 40.7 32.7 55 55 A V S S- 0 0 19 1,-0.1 142,-0.1 -6,-0.1 -7,-0.0 -0.720 105.6 -69.5-126.0 173.4 21.8 38.6 33.8 56 56 A I > - 0 0 20 -2,-0.2 4,-2.4 1,-0.1 3,-0.4 -0.241 50.1-106.1 -63.6 158.6 21.3 36.0 36.5 57 57 A R H > S+ 0 0 139 23,-0.4 4,-3.0 24,-0.3 5,-0.2 0.863 119.2 43.8 -52.5 -48.3 23.0 32.6 36.1 58 58 A G H > S+ 0 0 0 22,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.755 111.1 56.1 -71.1 -27.3 19.8 30.6 35.2 59 59 A W H > S+ 0 0 3 -3,-0.4 4,-1.2 21,-0.4 -2,-0.2 0.976 117.7 33.8 -65.7 -56.0 18.7 33.4 32.8 60 60 A E H X S+ 0 0 32 -4,-2.4 4,-1.9 1,-0.2 3,-0.2 0.928 119.5 48.9 -67.7 -50.2 22.0 33.2 30.9 61 61 A E H X S+ 0 0 77 -4,-3.0 4,-0.7 1,-0.2 -1,-0.2 0.823 109.0 54.0 -62.7 -32.7 22.6 29.4 31.2 62 62 A G H < S+ 0 0 0 -4,-1.3 3,-0.4 -5,-0.2 -1,-0.2 0.874 109.7 48.7 -68.3 -35.1 19.1 28.5 30.1 63 63 A V H >< S+ 0 0 0 -4,-1.2 3,-2.0 1,-0.2 -2,-0.2 0.843 100.8 62.3 -72.7 -35.3 19.6 30.6 27.0 64 64 A A H 3< S+ 0 0 38 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.757 100.7 57.0 -61.9 -22.4 22.9 29.0 26.1 65 65 A Q T 3< S+ 0 0 98 -4,-0.7 -1,-0.3 -3,-0.4 2,-0.3 0.478 96.6 85.5 -85.6 -5.7 20.9 25.8 25.8 66 66 A M < - 0 0 0 -3,-2.0 2,-0.3 -4,-0.1 3,-0.0 -0.674 67.0-141.1-101.4 152.7 18.6 27.3 23.2 67 67 A S > - 0 0 4 -2,-0.3 3,-2.0 -52,-0.2 36,-0.3 -0.778 43.9 -74.5-107.6 156.1 18.9 27.6 19.4 68 68 A V T 3 S+ 0 0 37 -54,-1.8 -57,-1.6 -2,-0.3 -56,-0.2 -0.177 119.2 21.3 -52.6 129.8 17.9 30.6 17.3 69 69 A G T 3 S+ 0 0 33 34,-3.0 -1,-0.3 1,-0.3 2,-0.1 0.392 95.3 127.9 92.5 -2.2 14.1 30.9 16.9 70 70 A Q < - 0 0 17 -3,-2.0 33,-2.1 33,-0.3 2,-0.4 -0.473 40.2-164.7 -86.9 155.6 13.4 28.8 20.0 71 71 A R E +AE 8 102A 70 -63,-2.4 -64,-3.1 31,-0.2 -63,-2.4 -0.970 19.7 161.0-140.8 123.0 11.1 29.8 22.8 72 72 A A E -AE 6 101A 0 29,-2.5 29,-2.7 -2,-0.4 2,-0.5 -0.893 40.5-110.8-140.7 169.7 11.1 27.9 26.1 73 73 A K E -AE 5 100A 85 -68,-2.2 -68,-2.3 -2,-0.3 2,-0.6 -0.918 30.0-158.5-103.6 123.1 10.1 28.2 29.8 74 74 A L E -AE 4 99A 0 25,-3.0 25,-2.4 -2,-0.5 2,-0.8 -0.920 3.3-161.1-108.5 114.5 13.1 28.4 32.1 75 75 A T E -AE 3 98A 30 -72,-2.6 -72,-2.5 -2,-0.6 2,-0.5 -0.843 15.8-163.9 -95.9 110.5 12.5 27.4 35.8 76 76 A I E -AE 2 97A 0 21,-3.2 21,-2.0 -2,-0.8 -74,-0.2 -0.846 10.8-137.5-102.6 128.5 15.4 28.9 37.8 77 77 A S >> - 0 0 25 -76,-2.2 3,-1.4 -2,-0.5 4,-0.9 -0.376 30.8-106.3 -75.8 159.1 16.3 27.8 41.3 78 78 A P G >4>S+ 0 0 28 0, 0.0 5,-3.4 0, 0.0 3,-0.7 0.866 119.1 58.5 -55.2 -39.5 17.1 30.5 44.0 79 79 A D G 345S+ 0 0 117 1,-0.3 -22,-0.1 3,-0.2 5,-0.1 0.739 111.9 41.7 -64.3 -20.7 20.9 29.7 43.9 80 80 A Y G <45S+ 0 0 43 -3,-1.4 -22,-1.7 -79,-0.2 -23,-0.4 0.513 124.2 39.5 -99.7 -11.8 20.8 30.5 40.2 81 81 A A T <<5S- 0 0 15 -4,-0.9 -24,-0.3 -3,-0.7 -2,-0.1 0.608 133.3 -38.2-101.2-105.5 18.6 33.5 40.7 82 82 A Y T >>5S- 0 0 45 13,-0.4 4,-1.5 1,-0.3 3,-0.5 0.250 79.1-147.8-112.1 9.8 19.0 35.9 43.7 83 83 A G T 34< - 0 0 20 -5,-3.4 11,-1.9 1,-0.2 12,-0.6 -0.149 49.3 -31.0 65.3-152.0 19.8 33.3 46.4 84 84 A A T 34 S+ 0 0 63 9,-0.2 -1,-0.2 1,-0.2 -5,-0.1 0.673 139.7 42.9 -77.9 -24.8 19.0 33.4 50.1 85 85 A T T <4 S- 0 0 118 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.685 88.9-171.5 -94.9 -20.1 19.1 37.2 50.5 86 86 A G < - 0 0 11 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.1 -0.273 48.2 -56.7 62.2-152.4 17.2 37.9 47.3 87 87 A H B >> -F 91 0B 49 4,-1.5 4,-3.0 -4,-0.1 3,-2.2 -0.822 62.3-133.7-126.7 86.4 17.1 41.5 46.2 88 88 A P T 34 S+ 0 0 36 0, 0.0 -2,-0.1 0, 0.0 57,-0.0 -0.132 88.0 27.5 -46.8 126.0 15.5 43.4 49.2 89 89 A G T 34 S+ 0 0 0 47,-0.1 56,-0.5 45,-0.1 55,-0.2 -0.151 136.6 25.2 112.5 -33.4 12.7 45.7 48.2 90 90 A I T <4 S+ 0 0 0 -3,-2.2 -1,-0.0 1,-0.3 -4,-0.0 0.660 119.2 43.2-127.3 -40.6 11.7 43.8 45.0 91 91 A I B < S-F 87 0B 0 -4,-3.0 -4,-1.5 -6,-0.1 -1,-0.3 -0.955 71.1-140.8-120.6 119.2 12.7 40.1 45.3 92 92 A P > - 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