==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 16-OCT-02 1N1A . COMPND 2 MOLECULE: FKBP52; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.LI,Y.DING,B.WU,C.SHU,B.SHEN,Z.RAO . 242 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12216.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 67.4 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 . 84 34.7 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 1.7 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 . 20 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 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 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 2 2 2 0 4 0 0 0 2 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 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 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 16 A A 0 0 82 0, 0.0 85,-0.1 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0 108.4 -4.5 -7.7 21.5 2 17 A P > - 0 0 65 0, 0.0 3,-2.5 0, 0.0 0, 0.0 0.621 360.0-142.6-118.2 134.8 -7.4 -6.5 22.0 3 18 A L T 3 S+ 0 0 169 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.435 91.1 68.7 -31.1 -28.9 -9.6 -5.8 19.0 4 19 A P T 3 S+ 0 0 129 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.849 88.7 90.2 -67.4 -19.8 -11.3 -2.6 19.8 5 20 A M < - 0 0 76 -3,-2.5 2,-0.4 17,-0.1 16,-0.1 -0.574 62.6-163.4 -80.0 123.8 -7.9 -1.1 19.4 6 21 A E - 0 0 163 -2,-0.4 2,-0.3 14,-0.0 16,-0.2 -0.839 31.9-104.2-108.0 139.5 -6.7 0.2 16.1 7 22 A G - 0 0 32 -2,-0.4 2,-0.5 14,-0.1 14,-0.2 -0.436 36.8-151.6 -60.1 116.3 -3.1 0.9 15.2 8 23 A V E -A 20 0A 94 12,-3.4 12,-3.2 -2,-0.3 2,-0.8 -0.820 19.3-119.6 -90.4 134.8 -2.9 4.6 15.2 9 24 A D E +A 19 0A 33 -2,-0.5 10,-0.2 10,-0.2 8,-0.1 -0.643 39.3 169.1 -75.2 112.3 -0.2 5.8 12.9 10 25 A I + 0 0 35 8,-2.6 -1,-0.2 -2,-0.8 9,-0.1 0.464 31.2 126.1-103.6 -0.8 2.3 7.7 15.0 11 26 A S > - 0 0 0 7,-0.7 3,-1.6 1,-0.2 5,-0.2 -0.280 65.4-132.6 -52.5 131.8 5.0 8.1 12.4 12 27 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 144,-0.0 0.875 109.6 50.2 -60.3 -26.6 5.7 11.8 12.2 13 28 A K T 3 S- 0 0 39 141,-0.1 -2,-0.1 142,-0.0 188,-0.1 0.593 105.3-134.1 -83.1 -7.6 5.5 11.6 8.4 14 29 A Q < + 0 0 122 -3,-1.6 -5,-0.1 1,-0.1 187,-0.0 0.957 63.1 135.3 54.1 52.7 2.1 9.8 8.8 15 30 A D S S- 0 0 65 3,-0.0 -1,-0.1 0, 0.0 -5,-0.0 0.033 80.9-107.5-114.3 22.9 3.2 7.2 6.2 16 31 A E S S+ 0 0 121 -5,-0.2 3,-0.2 2,-0.1 74,-0.1 0.602 79.9 136.4 61.6 14.3 1.9 4.4 8.3 17 32 A G S S+ 0 0 0 1,-0.2 73,-2.3 72,-0.1 2,-0.3 0.658 72.1 30.3 -66.8 -12.9 5.5 3.4 9.1 18 33 A V E S- B 0 89A 0 71,-0.2 -8,-2.6 2,-0.0 -7,-0.7 -0.783 70.6-171.4-150.5 101.7 4.8 2.9 12.9 19 34 A L E -AB 9 88A 35 69,-2.3 69,-2.6 -2,-0.3 2,-0.4 -0.855 10.5-161.6-101.1 124.5 1.3 1.8 14.0 20 35 A K E -AB 8 87A 18 -12,-3.2 -12,-3.4 -2,-0.5 2,-0.4 -0.869 13.9-177.9-112.1 139.1 0.7 1.9 17.7 21 36 A V E - B 0 86A 27 65,-1.9 65,-3.0 -2,-0.4 2,-0.7 -0.995 28.2-131.7-133.8 117.1 -2.0 0.1 19.7 22 37 A I E - B 0 85A 33 -2,-0.4 63,-0.3 63,-0.2 3,-0.2 -0.642 25.1-179.4 -72.5 113.7 -2.0 0.7 23.4 23 38 A K E S+ 0 0 85 61,-1.7 2,-0.4 -2,-0.7 62,-0.2 0.904 73.9 11.6 -83.5 -43.6 -2.3 -2.7 25.1 24 39 A R E S- B 0 84A 121 60,-2.8 60,-2.7 0, 0.0 -1,-0.3 -0.970 80.1-131.8-136.3 119.5 -2.3 -1.5 28.7 25 40 A E - 0 0 115 -2,-0.4 2,-0.1 58,-0.2 54,-0.0 -0.396 25.8-115.7 -67.8 142.1 -2.8 2.2 29.7 26 41 A G - 0 0 15 1,-0.1 56,-0.2 -2,-0.1 57,-0.1 -0.529 11.7-149.1 -74.2 148.1 -0.4 3.7 32.2 27 42 A T S S+ 0 0 158 54,-0.2 -1,-0.1 -2,-0.1 55,-0.1 0.464 76.2 81.0 -93.1 -4.1 -2.2 4.7 35.4 28 43 A G S S- 0 0 39 53,-0.8 -2,-0.1 2,-0.1 52,-0.1 -0.270 71.3-142.1 -93.9-179.6 0.5 7.5 35.7 29 44 A T + 0 0 121 -2,-0.1 -1,-0.1 51,-0.1 -3,-0.0 0.680 63.4 102.2-114.4 -26.8 0.9 10.9 34.2 30 45 A E - 0 0 113 51,-0.1 51,-1.6 50,-0.1 -2,-0.1 -0.250 45.7-172.8 -65.0 146.4 4.6 11.2 33.6 31 46 A M - 0 0 22 49,-0.2 49,-0.1 50,-0.0 46,-0.1 -0.994 26.8-100.8-144.5 145.7 6.1 10.9 30.1 32 47 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 6,-0.0 -0.219 30.3-154.4 -60.6 144.1 9.7 10.7 28.6 33 48 A M > - 0 0 29 1,-0.1 3,-2.3 30,-0.0 30,-0.3 -0.886 38.1 -80.6-122.2 154.6 11.3 13.8 27.0 34 49 A I T 3 S+ 0 0 26 -2,-0.3 30,-0.2 1,-0.3 88,-0.2 -0.242 119.6 32.6 -51.1 139.3 14.0 13.7 24.4 35 50 A G T 3 S+ 0 0 7 28,-3.3 -1,-0.3 1,-0.3 29,-0.1 0.146 90.2 125.8 95.4 -19.0 17.3 13.3 26.2 36 51 A D < - 0 0 13 -3,-2.3 27,-2.6 86,-0.1 2,-0.7 -0.386 64.8-119.3 -77.8 151.4 16.0 11.1 29.0 37 52 A R E -CD 62 120A 131 83,-2.3 83,-2.6 25,-0.2 2,-0.4 -0.770 38.4-163.0 -82.8 117.8 17.3 7.7 30.1 38 53 A V E -CD 61 119A 0 23,-2.9 23,-1.8 -2,-0.7 2,-0.5 -0.847 11.4-152.2-108.1 150.7 14.4 5.4 29.7 39 54 A F E +CD 60 118A 60 79,-3.5 78,-2.5 -2,-0.4 79,-1.6 -0.975 28.0 155.2-119.1 123.8 13.9 1.9 31.1 40 55 A V E -CD 59 116A 0 19,-2.6 19,-3.3 -2,-0.5 2,-0.4 -0.897 35.7-139.8-142.1 168.2 11.8 -0.6 29.4 41 56 A H E + D 0 115A 36 74,-1.3 74,-2.3 -2,-0.3 2,-0.3 -0.974 34.8 169.6-126.4 139.9 11.1 -4.4 28.8 42 57 A Y E - D 0 114A 31 -2,-0.4 13,-1.1 72,-0.2 14,-1.0 -0.918 28.7-151.6-147.2 170.2 10.3 -5.6 25.3 43 58 A T E -ED 54 113A 9 70,-1.3 70,-1.8 -2,-0.3 2,-0.5 -0.987 18.8-146.7-142.9 139.0 9.8 -8.5 23.1 44 59 A G E -ED 53 112A 0 9,-2.2 8,-2.1 -2,-0.3 9,-1.0 -0.943 13.7-172.9-117.3 134.4 10.4 -8.5 19.3 45 60 A W E -ED 51 111A 73 66,-2.8 66,-2.6 -2,-0.5 2,-0.3 -0.906 21.7-138.1-122.4 147.2 8.5 -10.5 16.6 46 61 A L E > - D 0 110A 22 4,-2.3 3,-2.0 -2,-0.3 4,-0.2 -0.685 46.5-101.6 -88.1 154.9 8.9 -11.0 12.9 47 62 A L T 3 S+ 0 0 120 62,-0.9 -1,-0.1 1,-0.3 63,-0.1 0.791 120.8 63.9 -52.7 -30.5 5.5 -10.8 11.2 48 63 A D T 3 S- 0 0 122 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.227 125.0 -97.5 -79.8 17.3 5.3 -14.6 11.0 49 64 A G S < S+ 0 0 53 -3,-2.0 2,-0.4 1,-0.3 -2,-0.2 0.442 74.4 146.8 85.3 -3.1 5.3 -14.9 14.8 50 65 A T - 0 0 72 -4,-0.2 -4,-2.3 1,-0.1 2,-0.9 -0.554 44.5-139.6 -70.3 125.0 9.0 -15.6 15.2 51 66 A K E +E 45 0A 122 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.766 25.4 176.7 -87.3 110.9 10.2 -14.1 18.5 52 67 A F E - 0 0 15 -8,-2.1 2,-0.3 -2,-0.9 -1,-0.2 0.596 57.1 -9.4 -93.9 -12.1 13.6 -12.7 17.7 53 68 A D E -E 44 0A 70 -9,-1.0 -9,-2.2 50,-0.0 2,-0.2 -0.982 52.2-171.7-170.0 171.6 14.6 -11.0 20.9 54 69 A S E -E 43 0A 25 -2,-0.3 -11,-0.2 -11,-0.2 -3,-0.0 -0.637 28.7-146.7-179.9 122.1 13.5 -9.9 24.4 55 70 A S 0 0 34 -13,-1.1 -12,-0.1 1,-0.2 -1,-0.1 0.821 360.0 360.0 -58.4 -27.2 14.7 -7.9 27.4 56 71 A L 0 0 139 -14,-1.0 -1,-0.2 -3,-0.1 -13,-0.1 0.946 360.0 360.0 -69.5 360.0 12.7 -10.5 29.4 57 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 58 76 A K 0 0 141 0, 0.0 2,-0.5 0, 0.0 -17,-0.2 0.000 360.0 360.0 360.0 161.2 15.6 -3.7 32.1 59 77 A F E -C 40 0A 72 -19,-3.3 -19,-2.6 2,-0.0 2,-0.3 -0.827 360.0-170.2 -92.9 136.1 16.8 -2.5 28.8 60 78 A S E +C 39 0A 38 -2,-0.5 2,-0.3 -21,-0.2 -21,-0.2 -0.935 15.9 142.0-132.4 154.8 17.8 1.1 29.0 61 79 A F E -C 38 0A 7 -23,-1.8 -23,-2.9 -2,-0.3 2,-0.6 -0.975 50.1 -79.6-168.0 177.1 18.8 4.0 26.7 62 80 A D E > > -C 37 0A 37 -2,-0.3 3,-0.8 -25,-0.2 5,-0.5 -0.875 47.5-130.9 -94.9 121.9 18.7 7.7 25.8 63 81 A L T 3 5S+ 0 0 0 -27,-2.6 -28,-3.3 -2,-0.6 -27,-0.1 -0.515 82.1 8.9 -74.2 134.3 15.4 8.7 24.1 64 82 A G T 3 5S+ 0 0 10 -2,-0.2 -1,-0.2 -30,-0.2 -30,-0.1 0.786 93.0 106.8 69.0 29.6 15.6 10.7 20.9 65 83 A K T < 5S- 0 0 66 -3,-0.8 -2,-0.1 123,-0.1 123,-0.1 0.314 94.7-108.7-114.0 2.0 19.3 10.5 20.3 66 84 A G T 5S+ 0 0 36 -4,-0.1 122,-0.1 3,-0.1 4,-0.1 0.695 83.1 128.0 78.9 16.8 19.0 8.0 17.4 67 85 A E < + 0 0 115 -5,-0.5 2,-0.2 2,-0.1 -4,-0.1 0.690 66.9 33.1 -81.2 -21.4 20.5 5.3 19.7 68 86 A V S S- 0 0 27 1,-0.2 5,-0.2 -6,-0.2 -7,-0.0 -0.677 111.0 -52.5-123.9 178.2 17.8 2.7 19.1 69 87 A I >> - 0 0 29 -2,-0.2 4,-2.1 1,-0.1 3,-0.8 -0.138 51.6-118.8 -53.0 147.9 15.6 1.8 16.2 70 88 A K H 3> S+ 0 0 51 1,-0.3 4,-2.5 24,-0.2 5,-0.3 0.919 115.2 57.3 -55.4 -47.9 13.7 4.7 14.6 71 89 A A H 3> S+ 0 0 0 22,-3.5 4,-2.2 1,-0.2 -1,-0.3 0.829 108.8 51.2 -53.7 -27.5 10.3 3.1 15.4 72 90 A W H <> S+ 0 0 10 -3,-0.8 4,-2.2 21,-0.3 5,-0.4 0.935 104.0 51.3 -78.5 -48.2 11.5 3.2 19.0 73 91 A D H X S+ 0 0 10 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.912 116.9 44.1 -55.4 -40.5 12.6 6.8 19.2 74 92 A I H < S+ 0 0 22 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.922 116.6 43.3 -70.6 -45.1 9.1 7.7 17.9 75 93 A A H >< S+ 0 0 0 -4,-2.2 3,-2.1 -5,-0.3 4,-0.2 0.913 109.0 52.6 -69.0 -45.1 7.0 5.3 20.0 76 94 A I H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.832 97.8 66.3 -67.2 -27.9 8.5 5.6 23.4 77 95 A A T 3< S+ 0 0 13 -4,-0.8 -1,-0.3 -5,-0.4 -2,-0.2 0.494 103.9 49.6 -66.8 -1.7 8.2 9.4 23.3 78 96 A T T < S+ 0 0 20 -3,-2.1 2,-0.3 58,-0.1 -1,-0.2 0.324 89.6 101.8-119.3 6.1 4.4 8.7 23.3 79 97 A M < - 0 0 0 -3,-1.4 2,-0.2 -4,-0.2 -54,-0.1 -0.740 61.7-137.7 -98.8 144.0 4.1 6.3 26.3 80 98 A K > - 0 0 65 -2,-0.3 3,-1.9 -49,-0.1 36,-0.3 -0.541 46.5 -88.0 -85.0 155.9 2.9 7.0 29.9 81 99 A V T 3 S+ 0 0 42 -51,-1.6 -53,-0.8 1,-0.3 -54,-0.2 -0.518 120.0 24.8 -65.9 133.7 5.0 5.4 32.5 82 100 A G T 3 S+ 0 0 22 34,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.298 92.0 134.0 95.7 -10.1 3.5 1.9 33.1 83 101 A E < - 0 0 0 -3,-1.9 33,-2.4 33,-0.1 2,-0.5 -0.471 40.8-158.7 -74.7 140.7 2.0 1.8 29.6 84 102 A V E +BF 24 115A 11 -60,-2.7 -60,-2.8 31,-0.2 -61,-1.7 -0.983 21.5 171.2-116.7 130.2 2.3 -1.4 27.5 85 103 A C E -BF 22 114A 0 29,-2.6 29,-2.1 -2,-0.5 2,-0.5 -0.918 30.3-133.7-136.6 167.3 1.9 -1.0 23.8 86 104 A H E -BF 21 113A 35 -65,-3.0 -65,-1.9 -2,-0.3 2,-0.5 -0.978 22.7-170.7-121.0 122.9 2.3 -2.8 20.5 87 105 A I E -BF 20 112A 0 25,-2.3 25,-2.3 -2,-0.5 2,-0.6 -0.940 13.7-151.3-118.4 134.9 4.0 -1.1 17.6 88 106 A T E -BF 19 111A 41 -69,-2.6 -69,-2.3 -2,-0.5 2,-0.4 -0.962 19.7-161.9-104.9 119.1 4.1 -2.3 14.1 89 107 A C E -BF 18 110A 0 21,-3.1 21,-2.2 -2,-0.6 -71,-0.2 -0.919 10.7-141.8-112.3 127.6 7.3 -1.1 12.3 90 108 A K > - 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