==== 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 ISOMERASE 28-MAR-07 2PBC . COMPND 2 MOLECULE: FK506-BINDING PROTEIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.WALKER,D.NECULAI,T.DAVIS,C.BUTLER-COLE,F.SICHERI, . 398 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20696.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 63.3 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 . 125 31.4 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 . 8 2.0 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 . 28 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 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 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 . 7 0 4 4 0 4 0 1 3 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 4 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 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 41 A G 0 0 95 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.5 38.5 7.4 42.9 2 42 A S - 0 0 75 302,-0.1 302,-0.0 0, 0.0 0, 0.0 -0.695 360.0-143.1-144.4 92.4 35.3 7.5 40.9 3 43 A P - 0 0 85 0, 0.0 2,-0.1 0, 0.0 54,-0.0 -0.242 20.2-127.9 -56.0 127.9 32.3 5.7 42.5 4 44 A I - 0 0 49 92,-0.1 54,-0.5 1,-0.0 2,-0.3 -0.415 26.1-154.6 -75.1 159.0 30.1 4.0 39.9 5 45 A K - 0 0 33 52,-0.2 52,-0.2 -2,-0.1 49,-0.1 -0.964 26.2 -79.6-140.7 153.9 26.4 4.8 40.1 6 46 A S + 0 0 3 50,-2.2 49,-2.5 -2,-0.3 2,-0.3 -0.186 50.3 169.6 -60.8 134.7 23.3 3.0 39.0 7 47 A R > - 0 0 23 47,-0.2 3,-2.3 48,-0.1 33,-0.2 -0.945 46.6 -65.0-135.2 170.2 22.2 3.1 35.4 8 48 A K T 3 S+ 0 0 61 -2,-0.3 33,-0.2 1,-0.3 3,-0.1 -0.208 121.8 23.1 -50.7 132.1 19.7 1.4 33.2 9 49 A G T 3 S+ 0 0 40 31,-2.9 -1,-0.3 1,-0.3 32,-0.1 0.148 88.8 131.9 98.7 -18.5 20.5 -2.3 32.9 10 50 A D < - 0 0 11 -3,-2.3 30,-3.2 29,-0.1 2,-0.6 -0.331 58.3-125.4 -65.3 151.5 22.6 -2.6 36.2 11 51 A V E -A 39 0A 26 28,-0.2 86,-3.0 -3,-0.1 2,-0.4 -0.881 34.8-167.1 -94.0 122.8 21.9 -5.4 38.6 12 52 A L E -AB 38 96A 0 26,-2.5 26,-1.8 -2,-0.6 2,-0.6 -0.847 22.8-151.4-113.1 144.1 21.2 -3.9 42.0 13 53 A H E -AB 37 95A 40 82,-2.4 81,-2.6 -2,-0.4 82,-1.2 -0.971 33.7-176.4-109.0 116.6 21.0 -5.4 45.5 14 54 A M E -AB 36 93A 0 22,-2.6 22,-3.0 -2,-0.6 2,-0.3 -0.943 26.6-154.0-128.4 128.3 18.6 -3.1 47.3 15 55 A H E + B 0 92A 11 77,-3.1 77,-2.3 -2,-0.4 2,-0.3 -0.745 27.9 175.6 -87.1 147.0 17.3 -2.8 50.8 16 56 A Y E - B 0 91A 29 -2,-0.3 13,-2.5 75,-0.2 14,-0.6 -0.996 27.5-164.6-145.1 150.6 14.0 -1.2 51.1 17 57 A T E -CB 28 90A 17 73,-1.5 73,-2.4 -2,-0.3 2,-0.5 -0.969 20.1-160.8-127.2 125.6 11.5 -0.4 53.7 18 58 A G E -CB 27 89A 0 9,-3.4 8,-2.3 -2,-0.4 9,-1.5 -0.894 10.0-176.4-105.7 137.4 8.2 0.5 52.2 19 59 A K E -CB 25 88A 46 69,-3.5 69,-3.6 -2,-0.5 6,-0.3 -0.908 22.2-123.0-125.4 155.6 5.5 2.4 54.1 20 60 A L > - 0 0 14 4,-3.2 3,-0.7 -2,-0.3 67,-0.1 -0.145 37.5-102.8 -75.9-177.9 2.0 3.6 53.5 21 61 A E T 3 S+ 0 0 146 65,-0.3 -1,-0.1 1,-0.2 66,-0.1 0.847 123.3 67.4 -73.4 -34.2 1.0 7.2 53.8 22 62 A D T 3 S- 0 0 136 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.401 119.6-113.9 -66.6 4.1 -0.6 6.2 57.1 23 63 A G S < S+ 0 0 50 -3,-0.7 2,-0.2 1,-0.3 -1,-0.1 0.096 74.3 136.2 86.5 -21.0 3.1 5.7 58.2 24 64 A T - 0 0 77 -5,-0.1 -4,-3.2 1,-0.1 -1,-0.3 -0.396 57.7-124.0 -64.5 124.8 2.5 1.9 58.6 25 65 A E E +C 19 0A 116 -6,-0.3 -6,-0.3 -2,-0.2 3,-0.1 -0.530 27.9 179.1 -67.0 129.5 5.3 -0.3 57.1 26 66 A F E - 0 0 30 -8,-2.3 2,-0.3 1,-0.4 -7,-0.2 0.676 65.9 -3.3 -99.6 -28.7 3.9 -2.7 54.6 27 67 A D E +C 18 0A 69 -9,-1.5 -9,-3.4 53,-0.1 -1,-0.4 -0.990 57.2 175.8-162.9 154.5 7.2 -4.4 53.6 28 68 A S E -C 17 0A 4 -2,-0.3 4,-0.4 -11,-0.3 -11,-0.2 -0.959 29.6-148.9-164.7 146.5 10.9 -4.4 54.2 29 69 A S S >S+ 0 0 1 -13,-2.5 5,-1.9 -2,-0.3 4,-0.4 0.471 89.8 78.5 -90.0 -7.8 14.0 -6.4 53.3 30 70 A L T 5S+ 0 0 84 -14,-0.6 -1,-0.1 3,-0.2 -13,-0.1 0.878 82.9 56.2 -75.5 -38.5 15.6 -5.5 56.7 31 71 A P T 5S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.953 120.3 31.2 -63.3 -51.5 13.8 -7.9 59.1 32 72 A Q T 5S- 0 0 118 -4,-0.4 -2,-0.2 2,-0.1 -3,-0.1 0.609 107.2-134.0 -70.8 -15.2 14.9 -11.0 57.1 33 73 A N T 5 + 0 0 112 -4,-0.4 -3,-0.2 1,-0.2 -4,-0.1 0.915 56.8 142.9 56.7 47.6 18.0 -9.0 56.2 34 74 A Q < - 0 0 117 -5,-1.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.920 45.0-140.6-121.5 102.2 17.6 -10.1 52.5 35 75 A P - 0 0 26 0, 0.0 2,-0.6 0, 0.0 -20,-0.2 -0.275 20.5-120.5 -56.6 144.8 18.4 -7.5 49.8 36 76 A F E -A 14 0A 89 -22,-3.0 -22,-2.6 2,-0.0 2,-0.5 -0.849 28.9-156.8 -89.8 122.9 16.1 -7.5 46.8 37 77 A V E +A 13 0A 61 -2,-0.6 2,-0.3 -24,-0.2 -24,-0.2 -0.869 27.8 138.3-108.7 130.3 18.1 -8.2 43.6 38 78 A F E -A 12 0A 3 -26,-1.8 -26,-2.5 -2,-0.5 2,-0.6 -0.967 53.9 -95.9-160.9 166.6 16.8 -7.1 40.2 39 79 A S E > -A 11 0A 40 -2,-0.3 3,-0.9 -28,-0.2 5,-0.5 -0.861 43.2-129.3 -96.3 120.8 17.8 -5.5 36.9 40 80 A L T 3 S+ 0 0 0 -30,-3.2 -31,-2.9 -2,-0.6 10,-0.1 -0.434 85.2 17.4 -70.6 138.3 17.2 -1.8 36.8 41 81 A G T 3 S+ 0 0 26 -33,-0.2 -1,-0.2 -2,-0.1 -33,-0.1 0.697 95.4 101.8 81.5 18.6 15.2 -0.3 33.9 42 82 A T S < S- 0 0 67 -3,-0.9 -2,-0.1 -34,-0.0 -1,-0.1 0.357 94.8-106.5-114.3 4.2 13.7 -3.6 32.7 43 83 A G S S+ 0 0 60 -4,-0.1 4,-0.1 3,-0.1 -3,-0.1 0.652 87.9 120.1 77.2 11.3 10.1 -3.6 34.0 44 84 A Q S S+ 0 0 106 -5,-0.5 2,-0.2 2,-0.1 -4,-0.1 0.819 76.7 32.3 -74.3 -32.0 11.1 -6.2 36.6 45 85 A V S S- 0 0 22 -6,-0.3 5,-0.1 1,-0.2 -2,-0.1 -0.644 111.2 -62.1-115.8 175.0 10.1 -3.7 39.5 46 86 A I >> - 0 0 19 -2,-0.2 4,-1.9 1,-0.1 3,-1.4 -0.216 47.8-115.2 -56.6 145.2 7.4 -1.0 39.7 47 87 A K H 3> S+ 0 0 156 24,-0.3 4,-1.9 1,-0.3 5,-0.3 0.860 115.9 61.2 -47.2 -42.4 7.7 1.9 37.3 48 88 A G H 34 S+ 0 0 4 22,-2.9 4,-0.4 1,-0.2 -1,-0.3 0.771 107.2 46.0 -58.7 -32.0 8.4 4.3 40.2 49 89 A W H <> S+ 0 0 12 -3,-1.4 4,-1.5 21,-0.3 -1,-0.2 0.855 108.6 53.9 -71.4 -51.2 11.5 2.3 41.0 50 90 A D H < S+ 0 0 26 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.872 120.7 31.6 -54.9 -36.9 12.9 2.1 37.4 51 91 A Q T < S+ 0 0 35 -4,-1.9 3,-0.3 1,-0.1 -1,-0.2 0.628 121.3 53.0 -92.5 -16.1 12.8 5.9 37.0 52 92 A G T 4 S+ 0 0 6 -4,-0.4 -2,-0.2 -5,-0.3 -3,-0.1 0.559 98.5 57.5-100.4 -13.1 13.5 6.7 40.6 53 93 A L S >< S+ 0 0 0 -4,-1.5 3,-0.7 3,-0.0 2,-0.2 0.145 72.9 124.6-110.5 18.2 16.7 4.7 41.4 54 94 A L T 3 + 0 0 31 -3,-0.3 -47,-0.2 1,-0.2 -48,-0.0 -0.514 68.1 22.1 -78.4 145.8 19.1 6.1 38.8 55 95 A G T 3 S+ 0 0 0 -49,-2.5 2,-0.4 1,-0.2 -1,-0.2 0.707 82.2 145.7 76.2 20.5 22.4 7.6 39.8 56 96 A M < - 0 0 0 -3,-0.7 -50,-2.2 4,-0.0 -1,-0.2 -0.772 36.4-148.2 -90.0 134.7 22.8 5.9 43.2 57 97 A C > - 0 0 21 -2,-0.4 3,-1.8 -52,-0.2 36,-0.3 -0.560 39.0 -81.6 -89.0 162.4 26.2 4.9 44.5 58 98 A E T 3 S+ 0 0 63 -54,-0.5 36,-0.2 1,-0.3 -1,-0.1 -0.422 119.8 25.3 -63.0 137.5 26.7 1.9 46.8 59 99 A G T 3 S+ 0 0 51 34,-3.1 2,-0.3 1,-0.3 -1,-0.3 0.459 93.7 129.3 85.3 5.3 25.8 2.8 50.3 60 100 A E < - 0 0 48 -3,-1.8 33,-2.4 33,-0.4 2,-0.3 -0.739 44.9-149.5 -98.2 143.9 23.4 5.6 49.3 61 101 A K E -D 92 0A 139 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.785 14.2-176.6-106.6 146.6 19.9 6.0 50.6 62 102 A R E -D 91 0A 6 29,-2.0 29,-2.9 -2,-0.3 2,-0.5 -0.993 18.6-141.3-141.5 148.0 17.0 7.5 48.8 63 103 A K E -D 90 0A 114 -2,-0.3 2,-0.5 27,-0.2 27,-0.2 -0.948 19.1-172.4-105.3 132.3 13.4 8.3 49.6 64 104 A L E -D 89 0A 2 25,-2.4 25,-2.6 -2,-0.5 2,-0.5 -0.977 13.7-161.5-126.0 119.6 10.7 7.7 46.9 65 105 A V E -D 88 0A 30 -2,-0.5 23,-0.2 23,-0.2 288,-0.0 -0.856 18.9-172.4 -89.8 131.7 7.1 8.8 47.3 66 106 A I E -D 87 0A 3 21,-2.4 21,-2.6 -2,-0.5 -2,-0.0 -0.885 14.3-148.6-136.0 97.4 5.3 6.7 44.6 67 107 A P > - 0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.260 40.3 -99.0 -57.0 161.1 1.7 7.5 44.0 68 108 A S G > >S+ 0 0 5 16,-0.4 5,-2.0 1,-0.3 3,-1.2 0.738 118.9 73.9 -62.8 -26.1 -0.2 4.2 42.9 69 109 A E G 3 5S+ 0 0 92 1,-0.3 -1,-0.3 15,-0.1 -22,-0.1 0.768 108.6 35.4 -55.2 -26.6 0.1 5.2 39.1 70 110 A L G < 5S+ 0 0 15 -3,-1.9 -22,-2.9 -23,-0.1 -21,-0.3 0.388 127.4 38.2-111.9 4.4 3.7 4.3 39.5 71 111 A G T < 5S- 0 0 19 -3,-1.2 -24,-0.3 -4,-0.3 -3,-0.1 0.365 126.4 -31.7-112.7-110.8 3.2 1.4 41.9 72 112 A Y T >5S- 0 0 96 13,-0.3 4,-2.0 1,-0.3 3,-0.4 0.260 78.2-147.2-107.6 10.7 0.5 -1.3 42.0 73 113 A G T 4< - 0 0 22 -5,-2.0 11,-2.8 1,-0.2 12,-0.3 -0.048 51.9 -40.8 61.7-160.2 -2.3 0.9 40.6 74 114 A E T 4 S+ 0 0 142 9,-0.3 -1,-0.2 1,-0.2 9,-0.2 0.736 135.0 66.2 -74.6 -23.2 -5.9 0.6 41.6 75 115 A R T 4 S- 0 0 240 -3,-0.4 8,-0.3 8,-0.1 -1,-0.2 0.860 89.0-169.3 -59.2 -43.7 -5.5 -3.2 41.6 76 116 A G < - 0 0 12 -4,-2.0 7,-0.2 -3,-0.2 -1,-0.1 -0.120 28.2 -94.3 76.1-177.6 -3.2 -3.1 44.5 77 117 A A B > -E 81 0B 31 4,-2.5 4,-1.9 -4,-0.1 3,-0.4 -0.671 56.6-112.9-136.8 81.7 -1.1 -6.0 45.8 78 118 A P T 4 S+ 0 0 116 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.132 81.5 17.7 -58.3 152.4 -2.9 -7.7 48.7 79 119 A P T 4 S+ 0 0 137 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 -0.970 134.1 25.2 -84.0 -24.0 -2.6 -8.1 51.6 80 120 A K T 4 S+ 0 0 39 -3,-0.4 -53,-0.1 1,-0.2 -4,-0.0 0.855 114.2 59.3 -75.4 -35.8 -0.1 -5.3 52.4 81 121 A I B < S-E 77 0B 16 -4,-1.9 -4,-2.5 -55,-0.1 -1,-0.2 -0.823 70.5-148.4-110.2 105.3 -0.8 -2.9 49.5 82 122 A P > - 0 0 71 0, 0.0 3,-1.6 0, 0.0 -6,-0.2 -0.235 36.3 -94.0 -57.5 146.8 -4.3 -1.3 49.0 83 123 A G T 3 S+ 0 0 40 -8,-0.3 -9,-0.3 1,-0.2 -8,-0.1 -0.492 114.4 16.5 -56.7 130.8 -5.5 -0.4 45.5 84 124 A G T 3 S+ 0 0 29 -11,-2.8 -16,-0.4 1,-0.2 2,-0.2 0.429 89.8 151.0 86.1 0.3 -4.6 3.3 45.0 85 125 A A < - 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