==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 28-JUL-10 3O5G . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP5; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.BRACHER,C.KOZANY,A.-K.THOST,F.HAUSCH . 128 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6718.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 66.4 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 . 42 32.8 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 1.6 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 . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 1 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 1 1 1 0 2 0 0 0 1 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 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 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 13 A G > 0 0 85 0, 0.0 4,-2.3 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-162.8 4.5 -27.4 15.6 2 14 A A H > + 0 0 32 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.892 360.0 52.0 -55.4 -48.2 6.4 -25.5 12.9 3 15 A P H > S+ 0 0 8 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.898 113.3 45.1 -57.3 -39.6 5.4 -22.0 14.0 4 16 A A H > S+ 0 0 60 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.846 109.9 56.9 -70.9 -33.4 6.5 -22.7 17.6 5 17 A T H X S+ 0 0 47 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.919 108.7 44.5 -62.4 -47.2 9.7 -24.3 16.3 6 18 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.873 111.0 54.3 -71.0 -29.6 10.7 -21.2 14.4 7 19 A A H < S+ 0 0 38 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.913 119.9 34.3 -61.4 -41.6 9.8 -18.9 17.4 8 20 A E H < S+ 0 0 171 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.806 137.7 19.1 -80.5 -32.9 12.1 -21.0 19.5 9 21 A Q H < S+ 0 0 134 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.518 88.9 121.3-122.3 -9.9 14.8 -21.8 16.9 10 22 A G < - 0 0 14 -4,-2.5 2,-0.4 -5,-0.3 14,-0.2 -0.213 59.3-119.5 -69.5 149.6 14.5 -19.3 14.0 11 23 A E E -A 23 0A 122 12,-3.4 12,-2.2 1,-0.0 2,-0.6 -0.730 25.7-124.4 -85.1 132.6 17.3 -17.0 12.9 12 24 A D E +A 22 0A 27 -2,-0.4 10,-0.2 10,-0.2 -1,-0.0 -0.670 31.7 175.9 -79.8 115.6 16.5 -13.2 13.1 13 25 A I + 0 0 25 8,-2.3 2,-0.5 -2,-0.6 -1,-0.1 0.252 36.0 117.8-109.6 10.8 17.1 -11.8 9.6 14 26 A T - 0 0 2 7,-0.4 3,-0.5 1,-0.1 5,-0.2 -0.761 64.5-137.6 -71.7 129.6 15.9 -8.2 10.1 15 27 A S S S+ 0 0 126 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.0 0.768 108.2 52.4 28.8 -88.0 18.0 -5.4 9.7 16 28 A K S S- 0 0 63 1,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.578 101.3-133.6 -75.0 -7.5 16.5 -3.9 12.9 17 29 A K + 0 0 137 -3,-0.5 -2,-0.1 1,-0.1 -1,-0.1 0.902 63.0 135.5 52.7 45.6 17.2 -7.1 14.9 18 30 A D S S- 0 0 56 3,-0.0 -1,-0.1 0, 0.0 -3,-0.1 0.181 74.1-114.9-109.0 12.7 13.7 -6.9 16.3 19 31 A R S S+ 0 0 113 2,-0.2 3,-0.2 -5,-0.2 77,-0.1 0.630 76.4 133.0 59.8 18.9 12.8 -10.6 15.8 20 32 A G S S+ 0 0 0 1,-0.3 76,-2.3 75,-0.1 2,-0.4 0.705 72.7 29.8 -73.7 -22.7 10.1 -9.5 13.2 21 33 A V E S- B 0 95A 0 74,-0.2 -8,-2.3 59,-0.0 -7,-0.4 -0.920 73.8-176.6-139.7 110.4 11.2 -12.1 10.7 22 34 A L E -AB 12 94A 4 72,-2.5 72,-2.0 -2,-0.4 2,-0.4 -0.881 9.4-163.5-108.8 143.3 12.6 -15.4 11.9 23 35 A K E -AB 11 93A 11 -12,-2.2 -12,-3.4 -2,-0.4 2,-0.4 -0.966 19.4-176.6-132.8 140.6 13.9 -18.0 9.6 24 36 A I E - B 0 92A 28 68,-2.1 68,-3.0 -2,-0.4 2,-0.5 -0.991 24.9-136.8-127.7 131.5 14.8 -21.7 9.4 25 37 A V E + B 0 91A 66 -2,-0.4 66,-0.3 66,-0.2 3,-0.1 -0.722 25.8 173.5 -78.2 124.0 16.3 -23.4 6.3 26 38 A K E S+ 0 0 108 64,-2.9 2,-0.4 -2,-0.5 65,-0.2 0.768 70.5 21.5-103.4 -39.6 14.5 -26.8 5.9 27 39 A R E S- B 0 90A 113 63,-2.1 63,-2.1 0, 0.0 -1,-0.4 -0.999 82.9-127.0-128.8 131.3 15.9 -27.8 2.5 28 40 A V - 0 0 115 -2,-0.4 63,-0.0 61,-0.2 57,-0.0 -0.560 27.4-122.1 -75.0 135.1 19.2 -26.4 1.1 29 41 A G - 0 0 14 -2,-0.3 59,-0.3 2,-0.1 58,-0.1 -0.045 9.3-128.5 -64.2 175.7 19.0 -24.9 -2.4 30 42 A N S S+ 0 0 133 57,-2.6 2,-0.2 59,-0.0 58,-0.1 0.562 83.9 67.7-108.2 -13.3 21.1 -26.1 -5.3 31 43 A G S S- 0 0 24 56,-1.1 -2,-0.1 2,-0.2 55,-0.0 -0.691 70.5-140.1-101.0 160.8 22.5 -22.7 -6.5 32 44 A E S S+ 0 0 86 -2,-0.2 2,-0.3 54,-0.1 -1,-0.1 0.575 78.5 82.6 -89.7 -13.5 24.9 -20.5 -4.6 33 45 A E - 0 0 138 54,-0.0 54,-0.9 3,-0.0 -2,-0.2 -0.715 62.5-151.1 -96.5 141.9 23.1 -17.2 -5.6 34 46 A T - 0 0 38 -2,-0.3 52,-0.2 52,-0.2 2,-0.1 -0.577 39.5 -90.0 -87.0 166.5 20.1 -15.5 -4.2 35 47 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.433 42.2-121.9 -65.9 153.1 17.8 -13.4 -6.3 36 48 A M > - 0 0 113 -2,-0.1 3,-2.2 1,-0.1 33,-0.2 -0.645 37.4 -86.4 -93.7 156.8 18.7 -9.7 -6.6 37 49 A I T 3 S+ 0 0 104 1,-0.3 33,-0.2 -2,-0.2 91,-0.1 -0.411 121.4 33.8 -58.5 135.0 16.2 -7.0 -5.6 38 50 A G T 3 S+ 0 0 1 31,-2.6 -1,-0.3 1,-0.4 32,-0.1 0.085 90.5 129.4 100.3 -23.2 14.1 -6.3 -8.6 39 51 A D < - 0 0 20 -3,-2.2 30,-3.3 29,-0.1 2,-0.7 -0.321 65.9-115.3 -63.3 145.6 14.2 -10.0 -9.8 40 52 A K E -CD 68 126A 69 86,-1.4 86,-2.6 87,-0.5 2,-0.4 -0.761 37.6-162.2 -81.1 117.6 11.0 -11.8 -10.6 41 53 A V E -CD 67 125A 0 26,-3.1 26,-1.9 -2,-0.7 2,-0.5 -0.863 11.2-156.0-109.8 140.6 10.7 -14.6 -8.0 42 54 A Y E +CD 66 124A 82 82,-2.8 81,-2.1 -2,-0.4 82,-1.4 -0.964 24.4 171.8-116.7 117.5 8.5 -17.7 -8.3 43 55 A V E -CD 65 122A 0 22,-2.7 22,-3.2 -2,-0.5 2,-0.4 -0.927 30.7-148.7-128.3 149.6 7.6 -19.3 -5.0 44 56 A H E - D 0 121A 22 77,-2.0 77,-3.1 -2,-0.3 2,-0.3 -0.936 31.8-179.9-102.2 143.3 5.3 -22.0 -3.6 45 57 A Y E - D 0 120A 17 -2,-0.4 13,-2.1 75,-0.2 14,-0.6 -0.978 28.9-160.9-141.7 156.4 4.1 -21.3 -0.1 46 58 A K E -ED 57 119A 88 73,-1.8 73,-2.7 -2,-0.3 2,-0.4 -0.985 23.9-158.3-131.7 121.0 1.9 -22.8 2.6 47 59 A G E +ED 56 118A 0 9,-3.2 8,-2.3 -2,-0.4 9,-1.2 -0.851 13.2 176.1-107.7 138.6 0.8 -20.2 5.2 48 60 A K E -ED 54 117A 76 69,-2.6 69,-3.5 -2,-0.4 6,-0.2 -0.966 30.6-116.3-131.7 150.6 -0.4 -20.8 8.8 49 61 A L E > - D 0 116A 29 4,-2.7 3,-2.1 -2,-0.3 67,-0.2 -0.357 49.6 -90.3 -70.0 169.0 -1.4 -18.6 11.7 50 62 A S T 3 S+ 0 0 59 65,-1.1 66,-0.1 1,-0.3 -1,-0.1 0.732 127.5 56.7 -50.3 -31.5 0.9 -18.7 14.8 51 63 A N T 3 S- 0 0 127 2,-0.1 -1,-0.3 -48,-0.1 65,-0.1 0.193 123.6 -98.7 -92.1 10.9 -1.2 -21.5 16.2 52 64 A G S < S+ 0 0 26 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.259 73.8 143.8 91.5 -10.6 -0.8 -23.9 13.2 53 65 A K - 0 0 121 -5,-0.1 -4,-2.7 1,-0.1 -1,-0.3 -0.487 48.9-129.6 -67.5 120.7 -4.2 -23.1 11.5 54 66 A K E +E 48 0A 88 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.469 32.2 170.8 -66.2 136.6 -3.7 -23.2 7.7 55 67 A F E - 0 0 16 -8,-2.3 2,-0.3 1,-0.4 -7,-0.2 0.604 61.2 -10.1-115.7 -20.1 -5.0 -20.1 5.8 56 68 A D E -E 47 0A 56 -9,-1.2 -9,-3.2 53,-0.0 -1,-0.4 -0.962 47.0-171.9-172.5 152.8 -3.6 -20.6 2.2 57 69 A S E > -E 46 0A 5 -2,-0.3 3,-0.7 -11,-0.2 4,-0.4 -0.946 22.9-146.3-153.9 137.8 -1.3 -22.6 -0.0 58 70 A S T 3 >S+ 0 0 0 -13,-2.1 5,-2.1 -2,-0.3 3,-0.5 0.707 97.5 70.9 -72.5 -17.6 -0.2 -22.2 -3.7 59 71 A H T > 5S+ 0 0 50 -14,-0.6 3,-0.5 1,-0.2 -1,-0.2 0.762 86.3 64.1 -71.8 -26.7 -0.1 -26.0 -4.0 60 72 A D T < 5S+ 0 0 109 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.865 113.9 32.4 -63.3 -35.8 -3.9 -26.3 -3.8 61 73 A R T 3 5S- 0 0 92 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.290 106.3-130.9-100.0 4.4 -4.2 -24.3 -7.1 62 74 A N T < 5 + 0 0 129 -3,-0.5 -3,-0.2 1,-0.2 -4,-0.1 0.749 66.5 132.1 40.1 40.4 -0.9 -25.8 -8.3 63 75 A E < - 0 0 113 -5,-2.1 -2,-0.2 0, 0.0 -1,-0.2 -0.959 55.9-135.0-128.7 106.9 0.0 -22.3 -9.1 64 76 A P - 0 0 50 0, 0.0 2,-0.5 0, 0.0 -20,-0.2 -0.312 24.1-123.3 -55.5 143.9 3.3 -20.6 -8.1 65 77 A F E -C 43 0A 69 -22,-3.2 -22,-2.7 2,-0.0 2,-0.4 -0.836 28.6-157.9 -93.2 131.8 3.0 -17.2 -6.7 66 78 A V E +C 42 0A 56 -2,-0.5 2,-0.3 -24,-0.2 -24,-0.2 -0.916 20.5 152.1-115.4 137.2 5.1 -14.6 -8.6 67 79 A F E -C 41 0A 2 -26,-1.9 -26,-3.1 -2,-0.4 2,-0.7 -0.981 47.7-102.3-152.1 164.4 6.4 -11.2 -7.5 68 80 A S E > -C 40 0A 21 -2,-0.3 3,-1.3 -28,-0.2 5,-0.4 -0.821 53.0-113.2 -87.1 116.4 9.2 -8.6 -8.0 69 81 A L T 3 S- 0 0 0 -30,-3.3 -31,-2.6 -2,-0.7 10,-0.1 -0.249 87.4 -1.5 -58.5 128.9 11.6 -9.1 -5.1 70 82 A G T 3 S+ 0 0 30 -33,-0.2 -1,-0.2 -32,-0.1 -33,-0.1 0.706 96.3 111.8 70.6 25.4 11.9 -6.2 -2.6 71 83 A K S < S- 0 0 127 -3,-1.3 -2,-0.1 -33,-0.0 -1,-0.1 0.336 89.9-106.8-110.9 5.7 9.4 -3.9 -4.4 72 84 A G S S+ 0 0 61 -4,-0.1 4,-0.1 3,-0.1 -3,-0.1 0.806 82.3 126.0 70.7 33.1 6.6 -3.9 -1.8 73 85 A Q S S+ 0 0 109 -5,-0.4 2,-0.3 2,-0.1 -4,-0.1 0.548 77.0 29.6 -91.7 -11.1 4.2 -6.1 -3.8 74 86 A V S S- 0 0 25 -6,-0.1 5,-0.1 1,-0.1 -2,-0.0 -0.825 110.3 -61.6-137.3 169.9 3.9 -8.5 -0.9 75 87 A I >> - 0 0 21 -2,-0.3 4,-1.4 1,-0.1 3,-1.1 -0.215 55.2-108.9 -54.0 149.9 4.1 -8.3 2.9 76 88 A K H 3> S+ 0 0 140 24,-0.3 4,-2.5 1,-0.2 5,-0.2 0.859 115.3 62.0 -51.5 -43.1 7.5 -7.1 4.2 77 89 A A H 3> S+ 0 0 0 22,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.843 104.3 48.7 -53.8 -36.9 8.5 -10.5 5.6 78 90 A W H <> S+ 0 0 14 -3,-1.1 4,-2.8 21,-0.3 5,-0.4 0.929 109.7 49.7 -71.3 -46.9 8.4 -12.0 2.1 79 91 A D H X S+ 0 0 19 -4,-1.4 4,-0.8 1,-0.2 -2,-0.2 0.897 119.6 39.8 -56.5 -42.6 10.5 -9.3 0.5 80 92 A I H < S+ 0 0 51 -4,-2.5 4,-0.5 2,-0.1 -2,-0.2 0.928 120.3 42.8 -70.7 -50.1 13.1 -9.8 3.3 81 93 A G H >< S+ 0 0 0 -4,-3.0 3,-1.3 -5,-0.2 4,-0.3 0.901 111.2 51.0 -70.0 -43.8 12.9 -13.6 3.6 82 94 A V H >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.854 101.5 64.5 -67.0 -29.5 12.9 -14.5 -0.1 83 95 A A T 3< S+ 0 0 27 -4,-0.8 -1,-0.3 -5,-0.4 -2,-0.2 0.736 100.5 52.6 -62.0 -22.6 15.9 -12.3 -0.6 84 96 A T T < S+ 0 0 48 -3,-1.3 -1,-0.3 -4,-0.5 2,-0.2 0.485 94.0 99.5 -88.7 -2.8 17.9 -14.7 1.7 85 97 A M < - 0 0 0 -3,-1.6 2,-0.2 -4,-0.3 -57,-0.1 -0.547 61.0-142.1 -96.9 151.3 16.9 -17.8 -0.2 86 98 A K > - 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