==== 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 29-OCT-01 1J4R . COMPND 2 MOLECULE: FK506-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.SHERIFF . 321 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 76.0 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 . 113 35.2 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 . 6 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 . 39 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 1 0 2 0 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 3 3 0 6 0 1 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 3 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 46 0, 0.0 76,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-140.4 30.1 3.8 10.5 2 2 A V E -A 76 0A 28 74,-0.2 2,-0.4 55,-0.1 74,-0.2 -0.993 360.0-162.1-131.7 125.4 27.5 6.6 10.4 3 3 A Q E -A 75 0A 105 72,-2.2 72,-2.4 -2,-0.4 2,-0.5 -0.902 10.8-152.7-105.5 134.8 24.4 6.8 8.1 4 4 A V E -A 74 0A 38 -2,-0.4 2,-0.5 70,-0.2 70,-0.2 -0.959 12.3-176.5-110.9 122.2 22.8 10.1 7.6 5 5 A E E -A 73 0A 77 68,-2.6 68,-3.6 -2,-0.5 2,-0.1 -0.974 24.1-129.2-121.7 117.1 19.1 10.2 6.8 6 6 A T E +A 72 0A 84 -2,-0.5 66,-0.3 66,-0.3 64,-0.0 -0.404 27.5 174.2 -68.9 132.8 17.5 13.6 6.1 7 7 A I E S+ 0 0 67 64,-3.7 65,-0.2 1,-0.5 -1,-0.2 0.802 78.6 3.2-100.4 -47.1 14.3 14.4 8.0 8 8 A S E S-A 71 0A 29 63,-2.0 63,-2.7 61,-0.0 -1,-0.5 -0.996 88.8-104.8-141.1 137.1 14.0 18.0 6.8 9 9 A P - 0 0 112 0, 0.0 2,-0.1 0, 0.0 63,-0.0 -0.214 24.2-150.0 -68.0 146.8 16.3 19.8 4.3 10 10 A G - 0 0 22 60,-0.1 59,-0.2 61,-0.0 58,-0.1 -0.164 47.1 -79.4 -94.0-162.9 18.9 22.4 5.2 11 11 A D - 0 0 75 57,-2.0 58,-0.1 3,-0.2 4,-0.1 0.628 53.7-135.7 -78.2 -11.5 20.0 25.2 2.8 12 12 A G S S+ 0 0 52 56,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.566 88.9 60.6 70.2 10.1 22.2 22.8 0.8 13 13 A R S S+ 0 0 202 55,-0.2 2,-0.8 1,-0.1 -1,-0.1 0.530 81.5 74.5-139.0 -17.1 25.1 25.2 0.6 14 14 A T + 0 0 51 54,-0.2 54,-1.7 3,-0.0 -3,-0.2 -0.756 57.0 167.4-107.6 89.2 26.3 26.0 4.2 15 15 A F - 0 0 80 -2,-0.8 52,-0.2 52,-0.2 49,-0.1 -0.744 43.9 -93.5-100.0 146.1 28.2 23.0 5.5 16 16 A P - 0 0 13 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.321 38.8-157.8 -60.2 133.7 30.3 23.1 8.7 17 17 A K > - 0 0 124 1,-0.1 3,-1.9 33,-0.0 33,-0.3 -0.847 34.0 -91.0-110.9 149.0 34.0 23.8 8.1 18 18 A R T 3 S+ 0 0 210 -2,-0.3 33,-0.2 1,-0.3 3,-0.1 -0.344 117.8 38.6 -56.0 138.2 36.7 22.9 10.6 19 19 A G T 3 S+ 0 0 48 31,-1.2 2,-0.3 1,-0.4 -1,-0.3 0.392 95.5 104.6 99.6 -7.4 37.1 26.0 12.9 20 20 A Q S < S- 0 0 52 -3,-1.9 30,-1.1 30,-0.1 2,-0.6 -0.809 70.4-124.1-106.1 154.2 33.4 26.8 13.0 21 21 A T E -B 49 0A 24 86,-2.7 86,-3.0 -2,-0.3 2,-0.4 -0.870 19.7-148.9-101.5 120.3 31.2 26.1 15.9 22 22 A C E -BC 48 106A 0 26,-3.2 26,-2.0 -2,-0.6 2,-0.5 -0.786 7.3-160.5 -88.7 130.7 28.2 24.0 15.1 23 23 A V E +BC 47 105A 2 82,-2.3 81,-1.8 -2,-0.4 82,-1.3 -0.978 26.1 158.5-113.2 118.4 25.1 24.8 17.2 24 24 A V E -BC 46 103A 0 22,-3.1 22,-2.9 -2,-0.5 2,-0.4 -0.869 37.1-140.8-136.1 169.3 22.6 21.9 17.3 25 25 A H E + C 0 102A 2 77,-1.6 77,-2.4 -2,-0.3 2,-0.3 -0.971 34.0 168.5-126.9 138.3 19.6 20.4 19.1 26 26 A Y E - C 0 101A 22 -2,-0.4 13,-1.9 75,-0.2 14,-1.0 -0.968 32.6-148.2-148.5 166.3 19.4 16.6 19.3 27 27 A T E -DC 38 100A 25 73,-1.4 73,-2.7 -2,-0.3 2,-0.5 -0.991 22.2-152.6-133.9 127.7 17.7 13.6 20.9 28 28 A G E -DC 37 99A 0 9,-3.5 8,-2.5 -2,-0.4 9,-1.3 -0.934 15.7-179.9-109.3 129.1 19.8 10.5 21.3 29 29 A M E -DC 35 98A 31 69,-3.1 69,-2.6 -2,-0.5 6,-0.2 -0.972 17.2-138.7-129.8 144.2 18.2 7.0 21.4 30 30 A L > - 0 0 26 4,-2.6 3,-1.2 -2,-0.4 67,-0.1 -0.222 40.0 -92.2 -84.4-177.8 19.5 3.5 21.8 31 31 A E T 3 S+ 0 0 109 65,-0.3 66,-0.1 1,-0.3 -1,-0.0 0.871 122.9 59.9 -63.6 -42.2 18.5 0.4 19.9 32 32 A D T 3 S- 0 0 65 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.341 120.5-107.3 -70.0 4.7 15.8 -0.6 22.5 33 33 A G S < S+ 0 0 4 -3,-1.2 2,-0.3 1,-0.3 -2,-0.1 0.519 75.0 139.3 81.2 4.0 14.1 2.8 21.8 34 34 A K - 0 0 57 226,-0.1 -4,-2.6 227,-0.0 2,-0.4 -0.665 53.6-125.0 -84.4 137.7 15.2 4.3 25.1 35 35 A K E -D 29 0A 55 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.686 24.0-177.3 -80.5 127.1 16.3 7.9 25.1 36 36 A F E - 0 0 30 -8,-2.5 2,-0.3 -2,-0.4 -7,-0.2 0.650 67.4 -11.0 -97.4 -17.0 19.8 8.4 26.6 37 37 A D E -D 28 0A 35 -9,-1.3 -9,-3.5 53,-0.0 -1,-0.4 -0.962 49.3-167.0-173.8 158.6 19.8 12.3 26.2 38 38 A S E > -D 27 0A 3 -2,-0.3 4,-1.6 -11,-0.3 -11,-0.2 -0.873 14.0-160.5-156.6 119.8 18.1 15.3 24.6 39 39 A S T 4>S+ 0 0 0 -13,-1.9 5,-2.7 -2,-0.3 4,-0.3 0.786 100.6 58.7 -68.4 -28.8 19.6 18.8 24.4 40 40 A R T 45S+ 0 0 48 -14,-1.0 3,-0.5 3,-0.2 -1,-0.2 0.879 104.4 48.5 -67.1 -39.4 15.9 19.9 23.9 41 41 A D T 45S+ 0 0 106 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.852 114.5 45.1 -68.8 -35.2 14.9 18.4 27.2 42 42 A R T <5S- 0 0 96 -4,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.504 107.0-132.4 -85.1 -1.8 17.8 20.1 28.9 43 43 A N T 5 + 0 0 57 -3,-0.5 -3,-0.2 -4,-0.3 -2,-0.1 0.929 69.3 119.1 47.9 52.9 16.9 23.3 27.0 44 44 A K < - 0 0 125 -5,-2.7 -2,-0.1 98,-0.1 -1,-0.1 -0.801 62.1-136.2-152.6 99.7 20.5 23.7 26.1 45 45 A P - 0 0 14 0, 0.0 2,-0.5 0, 0.0 -20,-0.2 -0.252 27.4-121.9 -53.0 139.2 21.7 23.7 22.4 46 46 A F E -B 24 0A 64 -22,-2.9 -22,-3.1 2,-0.0 2,-0.4 -0.787 28.6-167.8 -93.3 129.3 24.8 21.6 22.0 47 47 A K E +B 23 0A 101 -2,-0.5 2,-0.3 -24,-0.2 -24,-0.2 -0.949 13.7 159.6-119.1 135.7 27.8 23.4 20.5 48 48 A F E -B 22 0A 2 -26,-2.0 -26,-3.2 -2,-0.4 2,-0.5 -0.988 32.9-126.0-151.4 156.0 31.0 21.8 19.2 49 49 A M E > -B 21 0A 46 -2,-0.3 3,-1.2 -28,-0.2 5,-0.5 -0.925 27.0-125.6-109.7 123.6 33.9 22.6 16.9 50 50 A L T 3 S+ 0 0 10 -30,-1.1 -31,-1.2 -2,-0.5 -30,-0.1 -0.358 92.9 27.3 -62.9 148.4 34.7 20.3 14.1 51 51 A G T 3 S+ 0 0 37 -33,-0.2 -1,-0.2 -32,-0.1 -33,-0.0 0.602 93.4 98.2 77.2 13.1 38.3 19.1 14.0 52 52 A K S < S- 0 0 94 -3,-1.2 -2,-0.1 3,-0.0 -1,-0.0 0.219 89.5-122.7-114.6 14.1 38.8 19.3 17.7 53 53 A Q S S+ 0 0 172 1,-0.1 -3,-0.1 3,-0.0 4,-0.1 0.813 72.4 130.7 51.2 32.7 38.2 15.7 18.6 54 54 A E + 0 0 95 -5,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.419 61.1 40.1 -96.8 1.0 35.4 16.9 21.0 55 55 A V S S- 0 0 30 -6,-0.1 5,-0.1 1,-0.1 -2,-0.0 -0.959 96.2 -78.6-142.5 161.3 32.7 14.5 19.8 56 56 A I >> - 0 0 24 -2,-0.3 4,-2.2 1,-0.1 3,-0.6 -0.077 46.4-108.5 -56.8 159.1 32.3 10.9 18.7 57 57 A R H 3> S+ 0 0 135 1,-0.2 4,-2.6 24,-0.2 5,-0.4 0.868 117.4 59.4 -58.4 -41.8 33.4 9.9 15.2 58 58 A G H 3> S+ 0 0 0 22,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.822 110.8 42.8 -56.5 -36.7 29.8 9.4 14.0 59 59 A W H <>>S+ 0 0 8 -3,-0.6 4,-2.4 21,-0.3 5,-0.5 0.877 110.9 54.0 -73.7 -47.9 29.0 13.0 14.9 60 60 A E H <5S+ 0 0 44 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.916 121.9 30.5 -52.7 -48.7 32.3 14.4 13.5 61 61 A E H X5S+ 0 0 72 -4,-2.6 4,-0.7 -5,-0.2 -2,-0.2 0.846 123.4 48.3 -82.2 -34.2 31.6 12.8 10.1 62 62 A G H ><5S+ 0 0 0 -4,-1.8 3,-1.1 -5,-0.4 4,-0.2 0.948 111.7 44.7 -72.5 -51.5 27.8 12.9 10.2 63 63 A V G ><5S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.801 104.7 66.8 -65.7 -25.7 27.1 16.5 11.2 64 64 A A G 34 - 0 0 2 -2,-0.3 3,-2.4 -52,-0.2 36,-0.3 -0.735 44.6 -74.8-104.7 154.5 23.8 22.1 5.9 68 68 A V T 3 S+ 0 0 35 -54,-1.7 -57,-2.0 -2,-0.3 36,-0.2 -0.250 120.9 21.9 -50.4 132.0 22.4 24.8 8.2 69 69 A G T 3 S+ 0 0 21 34,-3.8 -1,-0.3 1,-0.3 35,-0.1 0.195 93.2 135.2 93.9 -12.8 18.7 24.3 9.0 70 70 A Q < - 0 0 17 -3,-2.4 33,-2.7 33,-0.2 2,-0.4 -0.348 40.4-159.8 -72.7 147.0 18.9 20.6 8.2 71 71 A R E +AE 8 102A 62 -63,-2.7 -64,-3.7 31,-0.2 -63,-2.0 -1.000 24.0 163.9-125.1 125.0 17.3 17.9 10.4 72 72 A A E -AE 6 101A 0 29,-2.6 29,-3.0 -2,-0.4 2,-0.6 -0.963 38.6-122.5-146.3 156.4 18.7 14.4 10.0 73 73 A K E -AE 5 100A 52 -68,-3.6 -68,-2.6 -2,-0.3 2,-0.5 -0.913 25.5-161.4-100.7 122.0 18.8 11.0 11.7 74 74 A L E -AE 4 99A 0 25,-2.9 25,-2.8 -2,-0.6 2,-0.6 -0.934 1.7-164.0-105.5 121.5 22.3 9.8 12.3 75 75 A T E -AE 3 98A 28 -72,-2.4 -72,-2.2 -2,-0.5 2,-0.5 -0.949 13.5-167.9-108.0 115.6 22.7 6.0 12.9 76 76 A I E -AE 2 97A 0 21,-3.5 21,-2.6 -2,-0.6 -74,-0.2 -0.925 14.5-139.6-114.7 122.0 26.1 5.3 14.5 77 77 A S > - 0 0 23 -76,-2.7 3,-1.9 -2,-0.5 4,-0.2 -0.339 34.7-106.1 -69.5 156.3 27.7 1.9 14.9 78 78 A P G > >S+ 0 0 30 0, 0.0 5,-2.6 0, 0.0 3,-1.6 0.817 119.3 61.5 -57.2 -29.1 29.5 1.3 18.2 79 79 A D G 3 5S+ 0 0 115 1,-0.3 -22,-0.1 3,-0.2 17,-0.1 0.739 107.5 46.2 -69.9 -18.0 33.0 1.6 16.5 80 80 A Y G < 5S+ 0 0 42 -3,-1.9 -22,-2.6 -79,-0.2 -21,-0.3 0.268 127.5 24.7-103.0 9.3 32.0 5.2 15.6 81 81 A A T < 5S- 0 0 22 -3,-1.6 -24,-0.2 -4,-0.2 15,-0.1 0.163 128.4 -26.2-132.6-106.6 30.7 5.9 19.1 82 82 A Y T >5S- 0 0 88 13,-0.4 4,-2.5 1,-0.2 3,-0.3 0.315 71.0-157.4-107.5 5.8 31.6 4.3 22.5 83 83 A G T 4< - 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