==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 30-APR-07 2PPN . COMPND 2 MOLECULE: FK506-BINDING PROTEIN 1A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.SZEP,S.PARK,G.D.VANDUYNE,J.G.SAVEN . 107 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 73.8 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 . 12 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 8.4 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 1 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 . 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 54 0, 0.0 76,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -38.6 2.2 13.0 4.7 2 2 A V E -A 76 0A 20 74,-0.2 2,-0.4 55,-0.1 74,-0.2 -0.995 360.0-165.6-136.5 136.6 0.3 9.9 5.7 3 3 A Q E -A 75 0A 132 72,-2.2 72,-2.7 -2,-0.4 2,-0.4 -0.986 11.1-153.1-119.8 130.5 -3.0 9.7 7.6 4 4 A V E -A 74 0A 39 -2,-0.4 2,-0.4 70,-0.2 70,-0.2 -0.886 13.2-179.6-106.6 130.3 -4.1 6.4 9.0 5 5 A E E -A 73 0A 111 68,-2.2 68,-3.1 -2,-0.4 2,-0.3 -0.992 28.6-123.6-128.4 125.3 -7.8 5.6 9.6 6 6 A T E +A 72 0A 82 -2,-0.4 66,-0.3 66,-0.2 64,-0.0 -0.512 29.6 173.9 -76.3 132.3 -8.6 2.2 11.1 7 7 A I E S+ 0 0 91 64,-2.7 65,-0.2 1,-0.4 -1,-0.2 0.793 81.5 6.6 -92.2 -47.1 -11.0 -0.2 9.3 8 8 A S E S-A 71 0A 37 63,-2.2 63,-2.4 0, 0.0 -1,-0.4 -0.993 86.0-114.9-139.6 129.6 -10.5 -3.1 11.7 9 9 A P - 0 0 111 0, 0.0 2,-0.1 0, 0.0 63,-0.0 -0.369 23.7-153.1 -69.9 147.3 -8.6 -2.9 15.0 10 10 A G - 0 0 26 60,-0.1 59,-0.2 -2,-0.1 58,-0.1 -0.057 48.8 -72.2 -89.3-155.4 -5.5 -4.9 15.6 11 11 A D - 0 0 76 57,-2.2 58,-0.1 3,-0.2 57,-0.0 0.652 55.5-137.5 -79.4 -14.8 -4.2 -6.1 19.0 12 12 A G S S+ 0 0 51 56,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.580 88.6 63.7 69.9 14.0 -3.2 -2.5 19.9 13 13 A R S S+ 0 0 213 55,-0.2 2,-0.8 1,-0.2 -1,-0.1 0.592 78.6 71.5-136.3 -32.9 0.1 -3.7 21.3 14 14 A T + 0 0 63 54,-0.2 54,-2.2 0, 0.0 -3,-0.2 -0.847 57.7 167.6-105.4 100.0 2.4 -5.3 18.7 15 15 A F - 0 0 93 -2,-0.8 52,-0.2 52,-0.2 49,-0.1 -0.804 40.6 -91.5-110.9 148.9 3.8 -2.6 16.4 16 16 A P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.284 33.1-150.9 -62.7 144.7 6.7 -3.1 14.0 17 17 A K > - 0 0 154 1,-0.1 3,-2.4 4,-0.0 33,-0.2 -0.828 38.1 -82.4-106.9 153.1 10.2 -2.4 15.0 18 18 A R T 3 S+ 0 0 184 -2,-0.3 33,-0.2 1,-0.3 3,-0.1 -0.227 116.4 24.2 -59.3 137.9 12.8 -1.2 12.5 19 19 A G T 3 S+ 0 0 41 31,-2.8 -1,-0.3 1,-0.4 2,-0.2 0.248 92.2 123.2 91.4 -14.8 14.3 -4.0 10.6 20 20 A Q < - 0 0 62 -3,-2.4 30,-2.8 29,-0.1 2,-0.6 -0.483 66.9-115.5 -76.7 152.8 11.4 -6.4 11.0 21 21 A T E -B 49 0A 36 86,-2.6 86,-2.4 28,-0.2 2,-0.5 -0.795 25.6-149.8 -88.5 118.5 9.6 -7.8 8.0 22 22 A C E -BC 48 106A 0 26,-3.0 26,-2.0 -2,-0.6 2,-0.6 -0.854 5.4-157.6 -87.9 125.9 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 -0.939 26.9 165.2-109.3 117.4 3.7 -9.1 6.1 24 24 A V E -BC 46 103A 0 22,-3.0 22,-2.8 -2,-0.6 2,-0.4 -0.893 39.5-141.7-129.9 157.8 0.7 -7.3 4.7 25 25 A H E + C 0 102A 37 77,-1.9 77,-2.8 -2,-0.3 2,-0.3 -0.977 40.6 169.5-109.7 140.5 -2.3 -7.6 2.4 26 26 A Y E - C 0 101A 8 -2,-0.4 13,-1.9 75,-0.2 14,-1.1 -0.986 33.2-159.2-148.0 160.0 -3.0 -4.4 0.5 27 27 A T E -DC 38 100A 12 73,-1.9 73,-2.5 -2,-0.3 2,-0.4 -0.988 18.5-154.8-134.3 130.4 -4.8 -2.6 -2.2 28 28 A G E +DC 37 99A 0 9,-3.3 8,-2.7 -2,-0.4 9,-1.4 -0.917 15.5 179.6-110.7 139.4 -3.6 0.7 -3.7 29 29 A M E -DC 35 98A 37 69,-2.6 69,-2.7 -2,-0.4 6,-0.2 -0.957 26.1-123.9-136.0 141.5 -5.9 3.2 -5.3 30 30 A L E > - C 0 97A 33 4,-2.3 3,-2.5 -2,-0.3 67,-0.2 -0.406 49.6 -91.2 -68.9 165.2 -5.6 6.6 -7.0 31 31 A E T 3 S+ 0 0 120 65,-1.1 -1,-0.1 1,-0.3 66,-0.1 0.761 126.7 64.3 -43.7 -31.4 -7.7 9.4 -5.6 32 32 A D T 3 S- 0 0 106 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.355 117.5-110.6 -80.1 6.6 -10.5 8.4 -8.1 33 33 A G S < S+ 0 0 43 -3,-2.5 2,-0.4 1,-0.3 -2,-0.1 0.337 72.3 138.6 83.0 -9.3 -10.8 5.0 -6.4 34 34 A K - 0 0 139 1,-0.1 -4,-2.3 -5,-0.0 -1,-0.3 -0.599 52.5-128.8 -77.6 121.5 -9.3 2.9 -9.2 35 35 A K E +D 29 0A 99 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.443 29.1 175.9 -69.3 134.9 -7.1 0.2 -7.9 36 36 A F E + 0 0 57 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.530 68.7 12.3-112.1 -16.4 -3.7 0.1 -9.5 37 37 A D E +D 28 0A 56 -9,-1.4 -9,-3.3 4,-0.0 -1,-0.4 -0.970 60.9 171.5-162.7 141.1 -2.1 -2.7 -7.5 38 38 A S E > -D 27 0A 3 -2,-0.3 4,-1.1 -11,-0.2 -11,-0.2 -0.866 30.0-160.2-160.3 127.9 -3.2 -5.3 -5.0 39 39 A S H >>S+ 0 0 0 -13,-1.9 5,-1.9 -2,-0.3 4,-0.9 0.768 100.8 64.8 -70.4 -25.7 -1.7 -8.3 -3.2 40 40 A R H 45S+ 0 0 49 -14,-1.1 3,-0.2 2,-0.2 -1,-0.2 0.885 100.2 50.1 -66.1 -37.2 -5.3 -9.4 -2.7 41 41 A D H 45S+ 0 0 107 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.805 112.6 46.6 -68.7 -32.9 -5.7 -9.8 -6.5 42 42 A R H <5S- 0 0 123 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.591 105.6-135.6 -78.6 -18.6 -2.5 -11.8 -6.6 43 43 A N T <5S+ 0 0 139 -4,-0.9 -3,-0.2 -3,-0.2 -2,-0.1 0.816 70.8 102.7 60.5 40.9 -3.8 -13.9 -3.6 44 44 A K S -B 21 0A 76 -2,-0.3 3,-1.9 -28,-0.2 5,-0.4 -0.809 33.5-122.3 -93.7 118.3 11.5 -4.7 5.7 50 50 A L T 3 S+ 0 0 13 -30,-2.8 -31,-2.8 -2,-0.6 -30,-0.1 -0.459 96.9 19.1 -60.7 128.6 10.7 -1.7 7.7 51 51 A G T 3 S+ 0 0 17 -2,-0.2 -1,-0.2 -33,-0.2 -33,-0.1 0.148 94.4 100.1 97.5 -16.1 13.4 0.9 7.3 52 52 A K S < S- 0 0 123 -3,-1.9 -2,-0.1 1,-0.0 -34,-0.0 0.624 82.2-135.5 -73.1 -17.3 14.9 -0.5 4.1 53 53 A Q + 0 0 155 -4,-0.4 4,-0.1 1,-0.1 -3,-0.1 0.853 63.8 133.1 59.8 38.8 13.0 2.1 2.1 54 54 A E + 0 0 89 -5,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.453 68.7 46.3 -94.2 -3.0 11.9 -0.5 -0.4 55 55 A V S S- 0 0 26 -6,-0.2 5,-0.1 1,-0.1 26,-0.0 -0.856 108.0 -75.3-127.4 166.2 8.3 0.9 -0.2 56 56 A I >> - 0 0 24 -2,-0.3 4,-2.1 1,-0.1 3,-1.0 -0.104 44.6-107.7 -63.7 158.7 7.2 4.5 -0.3 57 57 A R H 3> S+ 0 0 130 24,-0.3 4,-2.7 1,-0.3 5,-0.3 0.897 117.2 59.4 -58.6 -38.5 7.6 6.7 2.7 58 58 A G H 3> S+ 0 0 0 22,-3.0 4,-1.7 1,-0.2 -1,-0.3 0.813 107.2 48.4 -67.5 -24.1 3.9 6.8 3.5 59 59 A W H <> S+ 0 0 8 -3,-1.0 4,-2.7 21,-0.3 5,-0.5 0.918 110.2 51.6 -68.7 -50.2 4.1 3.0 3.9 60 60 A E H X S+ 0 0 16 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.978 121.5 32.1 -45.3 -59.8 7.2 3.2 6.1 61 61 A E H < S+ 0 0 76 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.765 121.9 48.8 -76.5 -32.4 5.5 5.7 8.4 62 62 A G H >< S+ 0 0 0 -4,-1.7 3,-1.0 -5,-0.3 -1,-0.2 0.934 111.9 45.0 -76.8 -48.1 1.9 4.4 8.1 63 63 A V H >< S+ 0 0 1 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.851 104.9 64.3 -65.2 -32.3 2.5 0.7 8.7 64 64 A A T 3< S+ 0 0 38 -4,-1.6 -1,-0.3 -5,-0.5 -2,-0.2 0.783 100.0 54.0 -59.5 -25.6 4.8 1.6 11.6 65 65 A Q T < S+ 0 0 105 -3,-1.0 2,-0.3 -4,-0.4 -1,-0.3 0.472 96.2 89.2 -85.8 -2.6 1.7 3.0 13.3 66 66 A M < - 0 0 0 -3,-2.0 2,-0.3 -4,-0.2 3,-0.0 -0.719 65.7-142.7 -99.2 149.3 -0.3 -0.2 12.9 67 67 A S > - 0 0 3 -2,-0.3 3,-2.5 -52,-0.2 36,-0.3 -0.683 41.8 -77.2-104.0 160.5 -0.5 -3.2 15.2 68 68 A V T 3 S+ 0 0 37 -54,-2.2 -57,-2.2 1,-0.3 -54,-0.2 -0.322 120.7 22.1 -58.3 131.1 -0.6 -6.8 14.2 69 69 A G T 3 S+ 0 0 32 34,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.254 93.4 131.2 93.7 -9.5 -4.2 -7.7 13.0 70 70 A Q < - 0 0 19 -3,-2.5 33,-2.6 33,-0.2 2,-0.4 -0.545 40.9-161.2 -79.4 141.8 -5.1 -4.1 12.2 71 71 A R E +AE 8 102A 74 -63,-2.4 -64,-2.7 31,-0.2 -63,-2.2 -0.979 23.8 167.0-115.7 134.0 -6.6 -3.1 8.9 72 72 A A E -AE 6 101A 0 29,-2.7 29,-2.9 -2,-0.4 2,-0.5 -0.985 38.9-120.8-149.0 154.3 -6.4 0.6 8.0 73 73 A K E -AE 5 100A 71 -68,-3.1 -68,-2.2 -2,-0.3 2,-0.6 -0.880 26.1-160.5 -94.5 124.1 -6.8 3.1 5.2 74 74 A L E -AE 4 99A 0 25,-3.3 25,-2.6 -2,-0.5 2,-0.7 -0.938 1.3-163.0-107.7 115.9 -3.5 5.0 4.5 75 75 A T E -AE 3 98A 28 -72,-2.7 -72,-2.2 -2,-0.6 2,-0.5 -0.901 16.7-165.9 -99.7 114.4 -4.1 8.3 2.7 76 76 A I E -AE 2 97A 0 21,-3.3 21,-2.6 -2,-0.7 -74,-0.2 -0.921 13.0-139.7-115.8 120.0 -0.7 9.2 1.3 77 77 A S > - 0 0 34 -76,-2.4 3,-1.8 -2,-0.5 4,-0.2 -0.330 31.4-109.6 -65.6 156.2 0.2 12.6 -0.0 78 78 A P G > >S+ 0 0 20 0, 0.0 5,-2.4 0, 0.0 3,-1.8 0.836 118.9 67.2 -55.9 -30.8 2.4 12.8 -3.2 79 79 A D G 3 5S+ 0 0 132 1,-0.3 -22,-0.1 3,-0.1 5,-0.1 0.793 108.6 36.5 -58.2 -31.0 5.2 14.0 -0.9 80 80 A Y G < 5S+ 0 0 43 -3,-1.8 -22,-3.0 -79,-0.3 -21,-0.3 0.162 128.2 35.5-106.0 14.8 5.2 10.6 0.8 81 81 A A T < 5S- 0 0 21 -3,-1.8 -24,-0.3 -4,-0.2 15,-0.1 0.200 127.4 -30.3-132.8-111.5 4.5 8.6 -2.4 82 82 A Y T >>5S- 0 0 95 13,-0.4 4,-1.9 1,-0.2 3,-0.5 0.329 75.2-159.1-111.8 8.0 5.8 9.4 -6.0 83 83 A G T 34< - 0 0 25 -5,-2.4 11,-2.3 1,-0.2 12,-0.5 -0.029 54.9 -18.9 62.7-154.2 6.0 13.2 -5.8 84 84 A A T 34 S+ 0 0 62 9,-0.2 -1,-0.2 1,-0.2 -5,-0.0 0.832 137.6 44.1 -65.6 -33.6 6.0 15.5 -8.8 85 85 A T T <4 S- 0 0 107 -3,-0.5 -1,-0.2 8,-0.2 -2,-0.2 0.791 81.3-175.8 -86.7 -25.5 7.0 12.9 -11.4 86 86 A G < - 0 0 10 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.1 -0.320 50.4 -67.8 65.3-152.7 4.8 10.0 -10.4 87 87 A H B >> -F 91 0B 103 4,-2.6 3,-2.7 5,-0.0 4,-2.3 -0.819 61.0-125.3-134.8 88.8 5.2 6.8 -12.4 88 88 A P T 34 S+ 0 0 111 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.054 92.2 21.0 -53.2 130.7 3.9 7.8 -15.8 89 89 A G T 34 S+ 0 0 86 1,-0.1 -3,-0.0 0, 0.0 0, 0.0 -0.048 135.6 35.8 103.0 -28.3 1.2 5.5 -17.1 90 90 A I T <4 S+ 0 0 88 -3,-2.7 -1,-0.1 1,-0.3 -4,-0.1 0.702 121.6 29.9-119.6 -52.8 0.3 4.2 -13.6 91 91 A I B < S-F 87 0B 6 -4,-2.3 -4,-2.6 -6,-0.1 -1,-0.3 -0.980 78.0-140.7-119.8 113.6 0.7 7.1 -11.0 92 92 A P > - 0 0 60 0, 0.0 3,-1.1 0, 0.0 -10,-0.1 -0.146 38.6 -75.6 -69.2 167.8 0.1 10.7 -12.3 93 93 A P T 3 S+ 0 0 81 0, 0.0 -9,-0.2 0, 0.0 -8,-0.2 -0.357 115.3 7.1 -59.5 141.6 2.2 13.7 -11.2 94 94 A H T 3 S+ 0 0 123 -11,-2.3 2,-0.3 1,-0.2 -10,-0.1 0.806 92.1 173.9 58.9 36.3 1.4 14.9 -7.7 95 95 A A < - 0 0 4 -3,-1.1 2,-0.4 -12,-0.5 -13,-0.4 -0.571 30.4-144.4 -86.2 133.6 -1.0 12.0 -6.9 96 96 A T - 0 0 42 -2,-0.3 -65,-1.1 -19,-0.1 2,-0.3 -0.792 25.5-157.6 -84.1 132.6 -2.6 11.4 -3.6 97 97 A L E -CE 30 76A 0 -21,-2.6 -21,-3.3 -2,-0.4 2,-0.5 -0.854 11.2-154.0-115.0 150.3 -2.8 7.6 -3.0 98 98 A V E -CE 29 75A 33 -69,-2.7 -69,-2.6 -2,-0.3 2,-0.5 -0.992 12.6-172.3-122.9 124.4 -5.1 5.5 -0.8 99 99 A F E -CE 28 74A 7 -25,-2.6 -25,-3.3 -2,-0.5 2,-0.7 -0.964 17.5-152.6-116.8 134.9 -4.0 2.1 0.4 100 100 A D E -CE 27 73A 30 -73,-2.5 -73,-1.9 -2,-0.5 2,-0.4 -0.935 31.8-179.7 -99.5 110.3 -6.2 -0.4 2.3 101 101 A V E -CE 26 72A 0 -29,-2.9 -29,-2.7 -2,-0.7 2,-0.5 -0.964 22.2-166.1-122.1 135.2 -3.5 -2.3 4.3 102 102 A E E -CE 25 71A 60 -77,-2.8 -77,-1.9 -2,-0.4 2,-0.9 -0.986 18.1-142.3-117.7 124.1 -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 -0.775 24.9 176.1 -86.3 105.7 -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 0.907 54.2 -35.8 -80.7 -48.9 -0.9 -9.8 9.0 105 105 A K E -C 23 0A 98 -82,-1.3 -82,-2.6 -37,-0.1 2,-0.4 -0.974 50.8-114.6-167.3 167.8 2.2 -10.6 11.0 106 106 A L E C 22 0A 33 -2,-0.3 -84,-0.2 -84,-0.2 -86,-0.0 -0.949 360.0 360.0-117.9 140.9 5.8 -9.6 11.7 107 107 A E 0 0 132 -86,-2.4 -86,-2.6 -2,-0.4 -2,-0.0 -0.802 360.0 360.0-132.2 360.0 8.8 -11.8 10.7