==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 30-APR-07 2PPP . COMPND 2 MOLECULE: FK506-BINDING PROTEIN 1A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.SZEP,S.PARK,G.D.VANDUYNE,J.F.SAVEN . 107 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6233.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 76.6 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 . 38 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 . 2 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 . 11 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.9 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 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 . 1 0 1 1 0 2 0 0 1 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 1 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 52 0, 0.0 76,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -40.9 2.4 12.9 4.7 2 2 A V E -A 76 0A 16 74,-0.2 2,-0.4 55,-0.1 74,-0.2 -0.994 360.0-165.9-136.1 137.3 0.3 9.9 5.7 3 3 A Q E -A 75 0A 142 72,-2.1 72,-2.8 -2,-0.4 2,-0.4 -0.993 11.8-152.5-121.9 128.4 -3.0 9.8 7.5 4 4 A V E -A 74 0A 47 -2,-0.4 2,-0.4 70,-0.2 70,-0.2 -0.843 13.1-178.9-105.6 131.5 -4.2 6.5 9.0 5 5 A E E -A 73 0A 127 68,-1.9 68,-2.9 -2,-0.4 2,-0.1 -0.963 28.6-123.9-132.6 117.0 -7.9 5.6 9.5 6 6 A T E +A 72 0A 77 -2,-0.4 66,-0.3 66,-0.2 64,-0.0 -0.333 29.2 174.4 -69.1 131.7 -8.7 2.2 11.0 7 7 A I E S+ 0 0 92 64,-2.9 65,-0.2 1,-0.4 -1,-0.2 0.769 81.3 6.3 -93.9 -46.0 -11.0 -0.2 9.2 8 8 A S E S-A 71 0A 58 63,-2.2 63,-2.6 0, 0.0 -1,-0.4 -0.989 85.7-115.0-140.9 129.9 -10.6 -3.1 11.7 9 9 A P - 0 0 102 0, 0.0 2,-0.1 0, 0.0 63,-0.0 -0.332 23.9-153.2 -67.1 146.1 -8.7 -2.9 15.0 10 10 A G - 0 0 26 60,-0.1 59,-0.2 61,-0.0 58,-0.1 -0.030 48.6 -72.7 -90.4-156.4 -5.6 -4.9 15.6 11 11 A D - 0 0 78 57,-2.1 58,-0.1 3,-0.2 57,-0.0 0.633 54.2-138.4 -78.9 -11.1 -4.3 -6.1 18.9 12 12 A G S S+ 0 0 34 56,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.626 88.5 67.4 64.3 16.5 -3.3 -2.5 19.8 13 13 A R S S+ 0 0 204 55,-0.2 2,-0.9 1,-0.2 -1,-0.1 0.634 78.5 69.2-129.5 -41.5 -0.0 -3.8 21.3 14 14 A T + 0 0 63 54,-0.2 54,-2.2 92,-0.0 -3,-0.2 -0.775 58.7 167.6-101.2 96.8 2.2 -5.3 18.7 15 15 A F - 0 0 87 -2,-0.9 52,-0.2 52,-0.2 49,-0.1 -0.797 40.5 -91.9-107.4 149.5 3.6 -2.6 16.4 16 16 A P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.243 33.0-150.9 -60.1 143.8 6.5 -3.0 13.9 17 17 A K > - 0 0 144 1,-0.1 3,-2.2 4,-0.0 33,-0.3 -0.853 38.1 -82.8-105.6 152.9 10.1 -2.3 14.9 18 18 A R T 3 S+ 0 0 205 -2,-0.3 33,-0.2 1,-0.3 3,-0.1 -0.268 117.2 22.8 -52.6 131.5 12.7 -1.1 12.4 19 19 A G T 3 S+ 0 0 42 31,-2.8 -1,-0.3 1,-0.4 2,-0.2 0.234 92.2 123.7 93.4 -13.7 14.2 -4.0 10.5 20 20 A Q < - 0 0 54 -3,-2.2 30,-2.7 30,-0.1 2,-0.7 -0.493 67.4-114.8 -75.3 149.9 11.2 -6.4 11.0 21 21 A T E -B 49 0A 35 86,-2.9 86,-2.4 28,-0.2 2,-0.5 -0.798 26.5-150.7 -86.4 117.9 9.5 -7.8 8.0 22 22 A C E -BC 48 106A 0 26,-3.1 26,-1.9 -2,-0.7 2,-0.6 -0.808 4.9-157.5 -89.4 124.2 6.0 -6.6 7.7 23 23 A V E +BC 47 105A 4 82,-2.6 81,-2.5 -2,-0.5 82,-1.3 -0.927 26.9 165.6-106.0 116.8 3.6 -9.1 6.0 24 24 A V E -BC 46 103A 0 22,-3.1 22,-2.9 -2,-0.6 2,-0.4 -0.888 39.3-141.8-130.5 156.1 0.6 -7.3 4.6 25 25 A H E + C 0 102A 38 77,-1.9 77,-2.8 -2,-0.3 2,-0.3 -0.970 41.2 167.5-106.9 140.6 -2.3 -7.6 2.3 26 26 A Y E - C 0 101A 6 -2,-0.4 13,-1.9 75,-0.2 14,-1.1 -0.988 35.3-157.1-149.8 158.9 -3.0 -4.3 0.4 27 27 A T E -DC 38 100A 9 73,-1.7 73,-2.4 -2,-0.3 2,-0.5 -0.991 18.9-153.7-133.9 130.4 -4.7 -2.6 -2.3 28 28 A G E +DC 37 99A 0 9,-3.5 8,-2.8 -2,-0.4 9,-1.4 -0.924 18.8 178.8-107.7 131.1 -3.3 0.6 -3.7 29 29 A M E -DC 35 98A 37 69,-2.6 69,-2.9 -2,-0.5 6,-0.2 -0.953 28.5-120.4-133.5 146.2 -5.6 3.2 -5.3 30 30 A L E > - C 0 97A 34 4,-2.3 3,-2.5 -2,-0.3 67,-0.2 -0.335 50.9 -91.1 -71.6 167.4 -5.5 6.6 -6.9 31 31 A E T 3 S+ 0 0 148 65,-0.9 -1,-0.1 1,-0.3 66,-0.1 0.756 126.6 63.1 -52.0 -27.0 -7.5 9.3 -5.3 32 32 A D T 3 S- 0 0 115 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.474 119.5-106.4 -83.2 -3.0 -10.5 8.4 -7.6 33 33 A G S < S+ 0 0 43 -3,-2.5 2,-0.4 1,-0.3 -2,-0.1 0.274 73.1 140.6 98.2 -9.5 -10.7 4.9 -6.1 34 34 A K - 0 0 145 1,-0.1 -4,-2.3 -5,-0.1 -1,-0.3 -0.560 50.8-128.6 -74.2 121.8 -9.2 3.1 -9.1 35 35 A K E +D 29 0A 100 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.496 30.8 172.2 -70.4 129.2 -6.9 0.2 -8.0 36 36 A F E S+ 0 0 54 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.571 70.8 12.2-108.8 -16.2 -3.5 0.2 -9.6 37 37 A D E +D 28 0A 51 -9,-1.4 -9,-3.5 0, 0.0 -1,-0.4 -0.959 62.6 173.2-161.8 138.6 -1.9 -2.6 -7.5 38 38 A S E > -D 27 0A 5 -2,-0.3 4,-0.8 -11,-0.2 -11,-0.2 -0.901 29.0-161.9-156.6 125.9 -3.2 -5.3 -5.1 39 39 A S H >>S+ 0 0 0 -13,-1.9 5,-1.9 -2,-0.3 4,-0.8 0.774 100.5 62.4 -70.1 -24.7 -1.8 -8.2 -3.2 40 40 A R H >45S+ 0 0 45 -14,-1.1 3,-0.7 2,-0.2 -1,-0.2 0.913 99.8 51.3 -66.2 -41.8 -5.4 -9.4 -2.8 41 41 A D H 345S+ 0 0 117 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.788 113.2 46.8 -65.7 -24.4 -5.8 -9.7 -6.6 42 42 A R H 3<5S- 0 0 124 -4,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.623 105.0-135.9 -85.5 -15.4 -2.6 -11.8 -6.6 43 43 A N T <<5S+ 0 0 144 -4,-0.8 -3,-0.2 -3,-0.7 -2,-0.1 0.773 71.3 102.4 58.7 34.9 -3.9 -13.8 -3.6 44 44 A K S -B 21 0A 76 -2,-0.3 3,-1.8 -28,-0.3 2,-0.3 -0.783 34.3-120.8 -86.4 122.3 11.4 -4.8 5.7 50 50 A L T 3 S+ 0 0 14 -30,-2.7 -31,-2.8 -2,-0.6 3,-0.1 -0.471 99.9 26.8 -62.8 120.1 10.5 -1.7 7.6 51 51 A G T 3 S+ 0 0 31 1,-0.5 -1,-0.2 -2,-0.3 2,-0.2 0.108 88.1 116.8 111.0 -23.6 13.4 0.8 7.0 52 52 A K X - 0 0 103 -3,-1.8 3,-0.5 1,-0.1 -1,-0.5 -0.518 69.7-127.6 -70.1 148.8 14.5 -0.5 3.6 53 53 A Q T 3 S+ 0 0 198 1,-0.2 -1,-0.1 -2,-0.2 4,-0.1 0.129 86.8 94.0 -91.8 25.6 14.0 2.2 0.9 54 54 A E T 3 S+ 0 0 103 -5,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.904 77.0 57.0 -76.1 -47.5 12.1 -0.1 -1.5 55 55 A V S < S- 0 0 15 -3,-0.5 -4,-0.1 -6,-0.2 5,-0.1 -0.672 100.5 -90.9 -94.6 142.6 8.5 0.8 -0.4 56 56 A I >> - 0 0 22 -2,-0.3 4,-2.1 1,-0.1 3,-0.5 -0.119 36.2-115.9 -54.7 146.5 7.2 4.3 -0.5 57 57 A R H 3> S+ 0 0 147 24,-0.3 4,-3.0 1,-0.2 5,-0.3 0.880 110.7 50.0 -53.0 -49.2 7.6 6.4 2.6 58 58 A G H 3> S+ 0 0 0 22,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.833 109.1 51.6 -64.2 -34.2 3.9 6.9 3.5 59 59 A W H <> S+ 0 0 15 -3,-0.5 4,-2.4 21,-0.4 -1,-0.2 0.959 114.5 43.0 -69.6 -47.7 3.2 3.2 3.1 60 60 A Q H X S+ 0 0 21 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.930 116.6 46.9 -58.4 -50.1 6.0 2.2 5.5 61 61 A E H X S+ 0 0 69 -4,-3.0 4,-0.8 2,-0.2 -1,-0.2 0.885 112.1 50.9 -63.0 -41.2 5.2 5.0 8.0 62 62 A G H >< S+ 0 0 0 -4,-2.4 3,-1.0 -5,-0.3 -1,-0.2 0.939 110.7 48.5 -60.8 -47.5 1.5 4.2 7.9 63 63 A V H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.3 -2,-0.2 0.868 102.7 62.3 -64.4 -34.8 2.3 0.5 8.6 64 64 A A H 3< S+ 0 0 37 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.772 102.5 52.4 -59.8 -25.2 4.6 1.5 11.5 65 65 A Q T << S+ 0 0 104 -3,-1.0 2,-0.3 -4,-0.8 -1,-0.3 0.356 97.8 88.9 -90.6 2.7 1.6 3.0 13.2 66 66 A M < - 0 0 0 -3,-2.1 2,-0.3 -4,-0.1 3,-0.0 -0.761 66.7-140.6-103.3 149.2 -0.4 -0.2 12.8 67 67 A S > - 0 0 3 -2,-0.3 3,-2.5 -52,-0.2 36,-0.3 -0.694 41.8 -78.1-101.9 159.0 -0.7 -3.2 15.2 68 68 A V T 3 S+ 0 0 38 -54,-2.2 -57,-2.1 1,-0.3 -54,-0.2 -0.332 120.8 23.6 -56.5 129.3 -0.8 -6.8 14.1 69 69 A G T 3 S+ 0 0 32 34,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.233 93.3 130.5 97.6 -11.7 -4.3 -7.7 12.9 70 70 A Q < - 0 0 18 -3,-2.5 33,-2.6 33,-0.2 2,-0.4 -0.524 40.7-162.2 -80.1 142.0 -5.2 -4.1 12.1 71 71 A R E +AE 8 102A 75 -63,-2.6 -64,-2.9 31,-0.2 -63,-2.2 -0.979 23.4 167.5-117.3 134.7 -6.7 -3.1 8.7 72 72 A A E -AE 6 101A 0 29,-2.8 29,-3.0 -2,-0.4 2,-0.6 -0.986 39.3-120.6-148.6 155.5 -6.5 0.6 7.8 73 73 A K E -AE 5 100A 81 -68,-2.9 -68,-1.9 -2,-0.3 2,-0.6 -0.899 27.7-160.9 -96.5 117.4 -6.9 3.2 5.1 74 74 A L E -AE 4 99A 0 25,-3.3 25,-2.6 -2,-0.6 2,-0.7 -0.908 1.9-162.2-102.5 113.3 -3.6 5.0 4.5 75 75 A T E -AE 3 98A 36 -72,-2.8 -72,-2.1 -2,-0.6 2,-0.5 -0.899 16.5-165.0 -97.0 115.0 -4.1 8.4 2.7 76 76 A I E -AE 2 97A 0 21,-3.2 21,-2.6 -2,-0.7 -74,-0.2 -0.906 13.0-137.9-115.8 119.6 -0.6 9.2 1.3 77 77 A S > - 0 0 36 -76,-2.5 3,-1.8 -2,-0.5 -19,-0.2 -0.338 29.6-112.8 -62.8 151.4 0.4 12.6 0.0 78 78 A P G > >S+ 0 0 20 0, 0.0 5,-2.3 0, 0.0 3,-1.7 0.839 117.7 67.6 -55.7 -29.1 2.5 12.7 -3.1 79 79 A D G 3 5S+ 0 0 135 1,-0.3 -22,-0.1 3,-0.1 5,-0.1 0.797 108.3 36.8 -58.6 -30.9 5.3 14.0 -0.9 80 80 A Y G < 5S+ 0 0 49 -3,-1.8 -22,-3.0 -79,-0.3 -21,-0.4 0.153 128.2 34.7-107.7 15.6 5.4 10.6 0.8 81 81 A A T < 5S- 0 0 21 -3,-1.7 -24,-0.3 -24,-0.2 15,-0.1 0.178 127.7 -29.3-131.8-109.7 4.7 8.6 -2.4 82 82 A Y T >5S- 0 0 91 13,-0.4 4,-2.2 1,-0.2 3,-0.5 0.330 75.0-162.1-109.6 5.7 5.9 9.3 -6.0 83 83 A G T 4< - 0 0 24 -5,-2.3 11,-2.2 1,-0.2 12,-0.5 -0.031 55.6 -19.6 61.5-149.9 6.1 13.1 -5.8 84 84 A A T 4 S+ 0 0 62 9,-0.2 -1,-0.2 1,-0.2 -5,-0.0 0.821 137.9 47.5 -66.2 -34.8 6.2 15.4 -8.8 85 85 A T T 4 S- 0 0 109 -3,-0.5 -1,-0.2 8,-0.2 -2,-0.2 0.861 81.0-178.3 -77.8 -36.0 7.3 12.8 -11.3 86 86 A G < - 0 0 9 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.1 -0.371 51.1 -70.6 63.7-154.0 4.8 10.0 -10.4 87 87 A H B >> -F 91 0B 103 4,-2.5 3,-2.7 -2,-0.1 4,-2.5 -0.822 58.3-126.4-132.1 88.5 5.2 6.8 -12.4 88 88 A P T 34 S+ 0 0 109 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.082 92.4 21.3 -48.6 129.9 4.0 7.8 -15.8 89 89 A G T 34 S+ 0 0 85 1,-0.1 -3,-0.0 0, 0.0 0, 0.0 -0.077 136.0 35.0 103.3 -29.4 1.3 5.5 -17.1 90 90 A I T <4 S+ 0 0 87 -3,-2.7 -1,-0.1 1,-0.3 -4,-0.0 0.709 121.8 29.8-119.7 -54.8 0.4 4.3 -13.6 91 91 A I B < S-F 87 0B 4 -4,-2.5 -4,-2.5 -6,-0.1 -1,-0.3 -0.963 77.0-141.1-119.3 116.0 0.7 7.1 -11.1 92 92 A P > - 0 0 61 0, 0.0 3,-0.9 0, 0.0 -10,-0.1 -0.172 38.7 -74.9 -69.6 167.6 0.2 10.7 -12.3 93 93 A P T 3 S+ 0 0 79 0, 0.0 -9,-0.2 0, 0.0 -8,-0.2 -0.342 115.6 7.7 -58.3 140.5 2.3 13.7 -11.2 94 94 A H T 3 S+ 0 0 128 -11,-2.2 2,-0.4 1,-0.2 -10,-0.1 0.850 91.6 175.5 60.2 38.1 1.5 15.0 -7.6 95 95 A A < - 0 0 15 -3,-0.9 2,-0.4 -12,-0.5 -13,-0.4 -0.654 29.1-145.9 -86.5 130.1 -0.8 12.0 -6.9 96 96 A T - 0 0 35 -2,-0.4 -65,-0.9 -19,-0.1 2,-0.3 -0.777 25.4-157.0 -81.0 132.0 -2.5 11.4 -3.5 97 97 A L E -CE 30 76A 0 -21,-2.6 -21,-3.2 -2,-0.4 2,-0.5 -0.840 11.7-153.6-113.7 151.7 -2.7 7.6 -3.0 98 98 A V E -CE 29 75A 24 -69,-2.9 -69,-2.6 -2,-0.3 2,-0.5 -0.991 12.1-171.3-125.2 122.6 -5.0 5.6 -0.8 99 99 A F E -CE 28 74A 2 -25,-2.6 -25,-3.3 -2,-0.5 2,-0.7 -0.964 15.6-154.2-115.2 128.5 -3.9 2.2 0.4 100 100 A D E +CE 27 73A 30 -73,-2.4 -73,-1.7 -2,-0.5 2,-0.4 -0.904 32.0 179.5 -95.2 111.0 -6.1 -0.3 2.2 101 101 A V E -CE 26 72A 0 -29,-3.0 -29,-2.8 -2,-0.7 2,-0.5 -0.956 24.0-165.6-124.6 136.2 -3.6 -2.3 4.2 102 102 A E E -CE 25 71A 63 -77,-2.8 -77,-1.9 -2,-0.4 2,-0.9 -0.990 18.3-142.2-118.4 123.9 -3.9 -5.2 6.7 103 103 A L E +C 24 0A 0 -33,-2.6 -34,-3.1 -2,-0.5 -79,-0.2 -0.770 25.0 176.0 -84.4 106.6 -0.9 -6.0 8.9 104 104 A L E - 0 0 50 -81,-2.5 2,-0.3 -2,-0.9 -1,-0.2 0.912 54.4 -35.3 -81.2 -46.3 -1.0 -9.8 9.0 105 105 A K E -C 23 0A 96 -82,-1.3 -82,-2.6 -37,-0.1 2,-0.4 -0.969 50.2-115.6-167.9 167.4 2.1 -10.6 10.9 106 106 A L E C 22 0A 33 -2,-0.3 -84,-0.2 -84,-0.2 -86,-0.0 -0.941 360.0 360.0-117.2 140.5 5.7 -9.6 11.6 107 107 A E 0 0 127 -86,-2.4 -86,-2.9 -2,-0.4 -2,-0.0 -0.886 360.0 360.0-133.9 360.0 8.7 -11.8 10.8