==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 15-OCT-99 1D6O . 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) . 11805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 74.3 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 . 23 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 8.4 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 2 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 50 0, 0.0 76,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-143.0 65.1 -18.8 -5.0 2 2 A V E -A 76 0A 29 74,-0.2 2,-0.5 55,-0.1 74,-0.2 -0.985 360.0-158.5-127.9 132.0 66.9 -15.6 -5.9 3 3 A Q E -A 75 0A 71 72,-2.4 72,-2.5 -2,-0.4 2,-0.6 -0.952 10.4-157.8-110.0 126.5 69.4 -15.0 -8.8 4 4 A V E -A 74 0A 38 -2,-0.5 2,-0.5 70,-0.2 70,-0.2 -0.921 10.0-176.9-109.7 117.2 71.8 -12.1 -8.4 5 5 A E E -A 73 0A 54 68,-3.0 68,-2.9 -2,-0.6 2,-0.1 -0.951 25.3-125.7-116.8 124.2 73.4 -10.6 -11.5 6 6 A T E +A 72 0A 91 -2,-0.5 66,-0.2 66,-0.2 64,-0.0 -0.416 30.5 170.2 -68.6 133.5 75.9 -7.8 -11.2 7 7 A I E S+ 0 0 83 64,-2.7 65,-0.2 1,-0.4 -1,-0.2 0.679 80.7 2.5-106.3 -38.1 75.2 -4.6 -13.2 8 8 A S E S-A 71 0A 55 63,-2.1 63,-2.7 0, 0.0 -1,-0.4 -0.976 86.3-109.7-152.3 130.4 78.0 -2.7 -11.5 9 9 A P - 0 0 100 0, 0.0 2,-0.1 0, 0.0 63,-0.0 -0.222 21.8-153.6 -64.7 148.6 80.6 -3.9 -9.0 10 10 A G - 0 0 25 60,-0.1 59,-0.2 61,-0.0 58,-0.1 -0.066 51.9 -72.6 -96.9-154.6 80.7 -2.9 -5.3 11 11 A D - 0 0 71 57,-2.2 58,-0.1 3,-0.2 57,-0.0 0.469 55.9-135.7 -83.0 -4.2 83.9 -3.0 -3.2 12 12 A G S S+ 0 0 51 56,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.547 88.6 64.1 61.6 14.8 83.9 -6.8 -3.2 13 13 A R S S+ 0 0 214 1,-0.2 2,-0.9 55,-0.2 -1,-0.1 0.645 78.0 73.2-133.2 -38.0 84.7 -6.9 0.5 14 14 A T + 0 0 61 54,-0.2 54,-1.9 92,-0.0 -1,-0.2 -0.818 58.0 174.1 -94.3 101.6 82.0 -5.3 2.7 15 15 A F - 0 0 79 -2,-0.9 52,-0.2 52,-0.2 49,-0.1 -0.831 37.2 -99.4-106.1 144.3 79.0 -7.7 2.8 16 16 A P - 0 0 5 0, 0.0 2,-0.3 0, 0.0 6,-0.0 -0.389 36.3-156.3 -64.1 138.3 75.9 -7.1 5.0 17 17 A K > - 0 0 132 -2,-0.1 3,-2.2 1,-0.1 33,-0.3 -0.787 34.4 -80.2-113.5 155.7 75.7 -9.0 8.3 18 18 A R T 3 S+ 0 0 151 -2,-0.3 33,-0.2 1,-0.3 3,-0.1 -0.303 118.3 26.7 -53.6 131.2 72.6 -9.9 10.4 19 19 A G T 3 S+ 0 0 37 31,-3.0 -1,-0.3 1,-0.4 2,-0.2 0.297 93.7 122.2 97.0 -12.3 71.5 -7.0 12.4 20 20 A Q < - 0 0 61 -3,-2.2 30,-2.8 30,-0.1 2,-0.6 -0.528 63.5-122.4 -84.8 153.1 72.9 -4.4 10.1 21 21 A T E -B 49 0A 27 28,-0.3 86,-2.6 -2,-0.2 2,-0.4 -0.876 23.7-154.3 -96.5 120.4 70.8 -1.7 8.4 22 22 A C E -BC 48 106A 0 26,-3.0 26,-1.7 -2,-0.6 2,-0.6 -0.795 1.1-156.6 -94.7 131.6 71.1 -1.8 4.6 23 23 A V E +BC 47 105A 7 82,-2.2 81,-2.2 -2,-0.4 82,-1.1 -0.967 28.3 165.1-110.9 115.9 70.5 1.5 2.8 24 24 A V E -BC 46 103A 0 22,-3.1 22,-3.4 -2,-0.6 2,-0.4 -0.873 38.4-144.4-133.1 161.3 69.4 0.9 -0.8 25 25 A H E + C 0 102A 23 77,-1.9 77,-2.9 -2,-0.3 2,-0.3 -0.968 37.4 170.1-117.2 136.5 67.9 2.4 -3.9 26 26 A Y E - C 0 101A 12 -2,-0.4 13,-1.5 75,-0.2 14,-1.0 -0.975 30.8-157.1-147.4 161.6 65.7 -0.1 -5.8 27 27 A T E -DC 38 100A 21 73,-1.5 73,-2.4 -2,-0.3 2,-0.4 -0.984 18.4-155.1-137.8 127.4 63.2 -0.5 -8.7 28 28 A G E +DC 37 99A 0 9,-3.3 8,-2.7 -2,-0.4 9,-1.4 -0.920 15.3 177.4-110.0 135.9 60.8 -3.4 -8.7 29 29 A M E -DC 35 98A 42 69,-2.7 69,-2.2 -2,-0.4 6,-0.3 -0.907 27.8-118.4-133.7 157.0 59.2 -4.8 -11.8 30 30 A L E > - C 0 97A 21 4,-2.8 3,-2.5 -2,-0.3 67,-0.2 -0.472 48.8 -90.5 -85.0 169.1 56.9 -7.6 -12.8 31 31 A E T 3 S+ 0 0 148 65,-0.7 66,-0.1 1,-0.3 -1,-0.1 0.755 126.6 56.2 -54.0 -28.4 58.2 -10.3 -15.2 32 32 A D T 3 S- 0 0 129 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.421 124.0 -99.0 -85.0 1.8 57.0 -8.4 -18.2 33 33 A G S < S+ 0 0 54 -3,-2.5 2,-0.5 1,-0.3 -2,-0.1 0.522 74.3 144.9 95.2 4.5 58.9 -5.3 -17.3 34 34 A K - 0 0 131 -4,-0.1 -4,-2.8 1,-0.0 -1,-0.3 -0.695 46.4-133.6 -80.6 120.6 56.1 -3.4 -15.7 35 35 A K E +D 29 0A 102 -2,-0.5 -6,-0.3 -6,-0.3 3,-0.1 -0.585 30.3 170.7 -74.0 132.2 57.4 -1.3 -12.8 36 36 A F E + 0 0 46 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.609 64.2 8.7-115.9 -18.7 55.4 -1.5 -9.5 37 37 A D E +D 28 0A 55 -9,-1.4 -9,-3.3 4,-0.0 -1,-0.4 -0.988 56.1 172.4-160.9 151.3 57.6 0.3 -7.0 38 38 A S E > -D 27 0A 4 -2,-0.3 4,-0.7 -11,-0.2 3,-0.5 -0.789 27.0-160.5-168.5 123.9 60.8 2.4 -6.8 39 39 A S H >>S+ 0 0 0 -13,-1.5 5,-1.7 -2,-0.2 4,-0.6 0.754 97.3 67.2 -71.8 -25.2 62.6 4.4 -4.2 40 40 A R H 45S+ 0 0 75 -14,-1.0 3,-0.5 1,-0.2 -1,-0.2 0.855 96.3 52.3 -65.2 -33.5 64.3 6.2 -7.1 41 41 A D H 45S+ 0 0 105 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.792 112.3 45.9 -73.3 -26.2 61.0 7.8 -8.1 42 42 A R H <5S- 0 0 131 -4,-0.7 -1,-0.2 -3,-0.2 -2,-0.2 0.529 104.7-135.3 -91.6 -4.7 60.6 9.0 -4.5 43 43 A N T <5S+ 0 0 138 -4,-0.6 -3,-0.2 -3,-0.5 -2,-0.1 0.893 70.1 109.7 49.9 45.3 64.3 10.2 -4.4 44 44 A K < - 0 0 148 -5,-1.7 -2,-0.2 0, 0.0 -1,-0.1 -0.917 68.9-125.0-151.1 117.7 64.7 8.6 -1.0 45 45 A P - 0 0 47 0, 0.0 2,-0.4 0, 0.0 -20,-0.2 -0.271 26.7-123.9 -60.0 152.1 66.8 5.5 -0.2 46 46 A F E -B 24 0A 69 -22,-3.4 -22,-3.1 2,-0.0 2,-0.4 -0.799 22.1-157.2-102.4 140.0 65.1 2.7 1.5 47 47 A K E +B 23 0A 114 -2,-0.4 2,-0.3 -24,-0.2 -24,-0.2 -0.938 17.7 162.2-119.2 140.5 66.4 1.2 4.8 48 48 A F E -B 22 0A 2 -26,-1.7 -26,-3.0 -2,-0.4 2,-0.6 -0.984 36.8-118.7-153.5 147.7 65.9 -2.2 6.4 49 49 A M E > -B 21 0A 62 -2,-0.3 3,-1.7 -28,-0.3 5,-0.5 -0.834 34.3-122.3 -91.5 120.5 67.5 -4.2 9.0 50 50 A L T 3 S+ 0 0 0 -30,-2.8 -31,-3.0 -2,-0.6 -30,-0.1 -0.415 94.3 22.3 -63.5 128.4 68.9 -7.5 7.7 51 51 A G T 3 S+ 0 0 25 -33,-0.2 -1,-0.2 -2,-0.1 -33,-0.1 0.369 94.6 94.4 98.6 -4.3 67.4 -10.5 9.6 52 52 A K S < S- 0 0 101 -3,-1.7 -2,-0.1 8,-0.0 -34,-0.0 0.323 90.5-123.9 -99.7 4.6 64.2 -8.9 10.9 53 53 A Q + 0 0 165 -4,-0.2 -3,-0.1 1,-0.1 4,-0.1 0.841 66.0 139.4 54.8 39.1 62.1 -10.1 8.0 54 54 A E + 0 0 118 -5,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.578 68.4 39.0 -83.4 -12.6 61.1 -6.5 7.1 55 55 A V S S- 0 0 25 -6,-0.2 5,-0.1 1,-0.1 -7,-0.0 -0.811 105.1 -71.8-130.8 169.5 61.5 -7.4 3.4 56 56 A I >> - 0 0 20 -2,-0.3 4,-1.8 1,-0.1 3,-1.6 -0.226 47.8-109.4 -62.7 155.1 60.7 -10.4 1.2 57 57 A R H 3> S+ 0 0 141 24,-0.3 4,-2.7 1,-0.3 5,-0.3 0.851 116.3 62.8 -53.4 -40.8 63.0 -13.4 1.6 58 58 A G H 3> S+ 0 0 0 22,-2.5 4,-2.1 1,-0.2 -1,-0.3 0.757 106.5 45.9 -56.2 -30.2 64.6 -12.8 -1.8 59 59 A W H <>>S+ 0 0 10 -3,-1.6 4,-2.5 21,-0.3 5,-0.5 0.911 109.3 52.9 -77.8 -49.5 66.0 -9.5 -0.5 60 60 A E H X5S+ 0 0 12 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.907 122.0 33.0 -51.3 -44.3 67.2 -11.0 2.8 61 61 A E H <5S+ 0 0 66 -4,-2.7 4,-0.3 -5,-0.2 -2,-0.2 0.871 122.1 45.3 -83.2 -37.7 69.1 -13.6 0.9 62 62 A G H ><5S+ 0 0 0 -4,-2.1 3,-1.6 -5,-0.3 -3,-0.2 0.923 110.8 49.8 -74.2 -46.4 70.0 -11.6 -2.2 63 63 A V H ><5S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.835 101.3 66.4 -64.2 -29.0 71.2 -8.4 -0.6 64 64 A A T 3< - 0 0 2 -2,-0.3 3,-2.2 -52,-0.2 36,-0.3 -0.779 41.8 -74.3-108.4 160.0 79.0 -5.7 -1.3 68 68 A V T 3 S+ 0 0 36 -54,-1.9 -57,-2.2 -2,-0.3 -55,-0.2 -0.279 120.1 20.7 -55.1 129.1 78.8 -2.0 -0.5 69 69 A G T 3 S+ 0 0 35 34,-3.1 -1,-0.3 1,-0.3 35,-0.1 0.145 92.9 134.1 98.0 -14.2 78.5 0.1 -3.7 70 70 A Q < - 0 0 17 -3,-2.2 33,-2.6 33,-0.1 2,-0.4 -0.362 41.0-158.1 -74.3 143.1 77.2 -2.8 -5.8 71 71 A R E +AE 8 102A 73 -63,-2.7 -64,-2.7 31,-0.2 -63,-2.1 -0.979 24.5 168.5-118.7 130.2 74.3 -2.5 -8.2 72 72 A A E -AE 6 101A 0 29,-2.9 29,-3.0 -2,-0.4 2,-0.5 -0.964 36.6-126.6-145.4 158.3 72.6 -5.8 -9.1 73 73 A K E -AE 5 100A 66 -68,-2.9 -68,-3.0 -2,-0.3 2,-0.5 -0.928 26.9-162.4-104.8 124.0 69.5 -7.3 -10.8 74 74 A L E -AE 4 99A 0 25,-2.8 25,-2.7 -2,-0.5 2,-0.6 -0.961 5.2-161.5-111.3 127.2 67.8 -9.8 -8.5 75 75 A T E -AE 3 98A 39 -72,-2.5 -72,-2.4 -2,-0.5 2,-0.5 -0.958 16.7-167.7-108.0 121.8 65.3 -12.3 -10.1 76 76 A I E -AE 2 97A 0 21,-3.5 21,-2.7 -2,-0.6 -74,-0.2 -0.948 15.5-137.6-122.2 125.5 63.0 -13.7 -7.4 77 77 A S > - 0 0 26 -76,-2.1 3,-2.4 -2,-0.5 4,-0.3 -0.372 34.4-106.4 -70.9 154.4 60.6 -16.7 -7.6 78 78 A P G > >S+ 0 0 26 0, 0.0 5,-2.8 0, 0.0 3,-2.0 0.838 117.5 62.1 -52.1 -38.2 57.1 -16.3 -6.0 79 79 A D G 3 5S+ 0 0 116 1,-0.3 -22,-0.1 3,-0.2 17,-0.1 0.673 109.0 42.4 -64.0 -15.6 58.0 -18.5 -3.0 80 80 A Y G < 5S+ 0 0 43 -3,-2.4 -22,-2.5 -79,-0.2 -21,-0.3 0.235 127.2 32.7-109.0 8.1 60.7 -16.0 -2.0 81 81 A A T < 5S- 0 0 20 -3,-2.0 -24,-0.3 -4,-0.3 -2,-0.1 0.219 129.6 -31.3-126.6-110.4 58.4 -13.0 -2.8 82 82 A Y T >5S- 0 0 93 13,-0.3 4,-1.9 1,-0.2 3,-0.2 0.250 76.6-152.6-108.6 13.2 54.6 -12.8 -2.3 83 83 A G T 4< - 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