==== 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 3O5K . 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 . 510 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25763.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 70.6 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 . 168 32.9 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 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 . 49 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 0 2 2 4 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 . 4 4 4 4 0 8 0 0 0 4 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 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 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 80 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.3 -10.3 11.4 6.0 2 14 A A >> - 0 0 50 1,-0.1 4,-1.4 3,-0.1 3,-0.9 0.596 360.0-165.6 31.2 85.2 -12.1 9.6 8.8 3 15 A P H 3> S+ 0 0 59 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.806 95.1 66.1 -56.1 -28.1 -10.4 6.8 10.8 4 16 A A H 3> S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.775 98.3 51.8 -65.7 -25.5 -13.9 6.2 12.1 5 17 A T H <>>S+ 0 0 50 -3,-0.9 4,-3.7 2,-0.2 5,-0.6 0.926 106.2 50.7 -76.1 -49.5 -15.0 5.2 8.5 6 18 A V H X5S+ 0 0 2 -4,-1.4 4,-2.0 3,-0.2 -2,-0.2 0.921 113.2 50.1 -50.5 -42.8 -12.1 2.7 8.1 7 19 A A H <5S+ 0 0 34 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.934 119.0 35.0 -61.5 -48.0 -13.3 1.3 11.5 8 20 A E H <5S+ 0 0 86 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.868 136.9 17.2 -73.7 -38.7 -17.0 1.1 10.4 9 21 A Q H <5S+ 0 0 141 -4,-3.7 -3,-0.2 -5,-0.1 -2,-0.2 0.530 91.3 117.9-116.7 -16.2 -16.6 0.1 6.7 10 22 A G << - 0 0 14 -4,-2.0 2,-0.5 -5,-0.6 14,-0.2 -0.004 65.7-107.4 -57.6 161.4 -13.0 -1.2 6.2 11 23 A E E -A 23 0A 54 12,-2.5 12,-1.4 2,-0.0 2,-0.9 -0.806 23.4-129.0 -90.9 132.5 -12.1 -4.7 5.0 12 24 A D E +A 22 0A 30 -2,-0.5 10,-0.2 10,-0.2 8,-0.0 -0.724 30.1 177.6 -76.5 107.6 -10.6 -7.0 7.6 13 25 A I + 0 0 40 8,-1.8 2,-0.3 -2,-0.9 -1,-0.1 0.172 42.9 107.0-104.6 17.8 -7.5 -8.2 5.8 14 26 A T S > S- 0 0 2 7,-0.4 3,-0.7 1,-0.1 5,-0.1 -0.739 71.2-135.2 -90.3 142.5 -6.2 -10.4 8.6 15 27 A S T 3 S+ 0 0 124 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.841 107.8 56.6 -63.7 -30.1 -6.4 -14.2 8.3 16 28 A K T 3 S- 0 0 168 1,-0.0 -1,-0.2 -3,-0.0 -3,-0.0 0.678 97.8-139.3 -75.0 -19.2 -7.6 -14.2 11.9 17 29 A K < + 0 0 127 -3,-0.7 -2,-0.1 1,-0.1 -5,-0.0 0.883 59.7 134.7 55.2 42.3 -10.5 -11.8 11.3 18 30 A D S S- 0 0 64 3,-0.0 -1,-0.1 0, 0.0 -3,-0.1 0.210 73.5-119.2 -98.9 10.1 -9.7 -10.0 14.6 19 31 A R S S+ 0 0 110 2,-0.2 77,-0.1 -5,-0.1 3,-0.1 0.557 72.7 135.2 61.5 15.1 -10.1 -6.6 12.8 20 32 A G S S+ 0 0 1 1,-0.2 76,-3.4 75,-0.1 2,-0.4 0.719 71.6 35.0 -64.8 -26.3 -6.5 -5.7 13.6 21 33 A V E S- B 0 95A 0 74,-0.2 -8,-1.8 55,-0.0 -7,-0.4 -0.981 74.0-179.8-132.7 120.2 -5.9 -4.4 10.1 22 34 A L E -AB 12 94A 7 72,-2.2 72,-2.2 -2,-0.4 2,-0.3 -0.964 7.1-165.1-125.9 139.0 -8.7 -2.6 8.3 23 35 A K E -AB 11 93A 21 -12,-1.4 -12,-2.5 -2,-0.4 2,-0.3 -0.916 18.9-177.9-134.0 147.5 -8.5 -1.2 4.8 24 36 A I E - B 0 92A 34 68,-1.1 68,-2.3 -2,-0.3 2,-0.4 -0.978 29.6-128.7-138.6 128.1 -10.3 1.2 2.4 25 37 A V E + B 0 91A 65 -2,-0.3 66,-0.3 66,-0.2 3,-0.1 -0.651 25.5 176.4 -77.3 127.8 -9.1 1.8 -1.1 26 38 A K E S+ 0 0 123 64,-2.8 2,-0.4 -2,-0.4 65,-0.2 0.708 74.8 20.3 -99.8 -29.3 -8.7 5.5 -1.9 27 39 A R E S- B 0 90A 119 63,-2.0 63,-1.2 0, 0.0 2,-0.4 -0.987 85.5-119.5-139.7 131.7 -7.3 5.1 -5.4 28 40 A V - 0 0 114 -2,-0.4 63,-0.0 61,-0.2 59,-0.0 -0.557 31.2-129.8 -75.6 125.4 -7.6 2.0 -7.5 29 41 A G - 0 0 7 -2,-0.4 59,-0.3 1,-0.1 58,-0.1 -0.193 24.6-101.6 -70.6 165.5 -4.3 0.5 -8.5 30 42 A N S > S+ 0 0 111 57,-4.1 3,-1.8 3,-0.1 57,-0.5 -0.264 81.4 5.0 -96.3 177.5 -3.2 -0.5 -12.0 31 43 A G T 3 S- 0 0 56 1,-0.3 2,-0.5 55,-0.1 55,-0.0 0.215 99.1 -85.2 26.0-175.8 -3.1 -3.9 -13.6 32 44 A E T 3 S+ 0 0 80 54,-0.1 2,-0.6 2,-0.1 -1,-0.3 -0.437 91.0 158.1 -89.6 56.6 -4.6 -6.5 -11.3 33 45 A E < + 0 0 102 -3,-1.8 54,-2.3 -2,-0.5 -3,-0.1 -0.781 15.8 155.2-109.3 115.0 -0.9 -6.1 -10.3 34 46 A T - 0 0 55 -2,-0.6 52,-0.1 52,-0.2 49,-0.1 -0.925 37.0-113.0-135.8 147.4 0.6 -7.0 -6.9 35 47 A P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 92,-0.1 -0.336 25.7-140.7 -71.3 160.1 4.0 -8.0 -5.4 36 48 A M > - 0 0 140 1,-0.1 3,-2.4 33,-0.1 33,-0.2 -0.777 45.6 -65.3-111.2 165.5 4.7 -11.4 -3.8 37 49 A I T 3 S+ 0 0 121 -2,-0.3 33,-0.2 1,-0.3 -1,-0.1 -0.227 126.6 26.1 -48.0 131.4 6.7 -12.2 -0.7 38 50 A G T 3 S+ 0 0 31 31,-3.8 -1,-0.3 1,-0.3 32,-0.1 -0.001 88.9 129.0 99.9 -30.6 10.3 -11.2 -1.3 39 51 A D < - 0 0 27 -3,-2.4 30,-2.4 29,-0.1 2,-0.6 -0.238 66.4-111.2 -54.5 145.4 9.5 -8.5 -4.0 40 52 A K E -CD 68 126A 40 86,-2.5 86,-2.4 28,-0.2 2,-0.4 -0.738 38.1-162.6 -82.9 120.4 11.1 -5.1 -3.5 41 53 A V E -CD 67 125A 0 26,-3.2 26,-2.0 -2,-0.6 2,-0.5 -0.873 13.6-161.3-112.8 138.3 8.4 -2.6 -2.7 42 54 A Y E +CD 66 124A 32 82,-2.3 81,-2.1 -2,-0.4 82,-1.2 -0.972 21.6 177.5-116.4 112.7 8.6 1.3 -2.9 43 55 A V E -CD 65 122A 0 22,-3.5 22,-2.6 -2,-0.5 2,-0.4 -0.865 25.1-153.0-115.5 149.6 5.8 3.1 -0.9 44 56 A H E + D 0 121A 21 77,-2.3 77,-3.7 -2,-0.3 2,-0.3 -0.906 36.7 164.2-105.3 150.4 4.9 6.7 -0.1 45 57 A Y E - D 0 120A 11 -2,-0.4 13,-2.2 75,-0.2 14,-0.6 -0.999 38.1-148.4-163.7 160.2 3.1 7.1 3.2 46 58 A K E -ED 57 119A 82 73,-1.8 73,-2.2 -2,-0.3 2,-0.5 -0.996 17.2-157.8-134.5 130.2 1.8 9.1 6.1 47 59 A G E -ED 56 118A 0 9,-3.0 8,-1.9 -2,-0.4 9,-1.3 -0.948 11.5-175.3-112.0 120.0 1.4 7.7 9.6 48 60 A K E -ED 54 117A 95 69,-3.8 69,-3.1 -2,-0.5 6,-0.2 -0.902 22.3-132.8-111.4 140.3 -1.0 9.3 12.1 49 61 A L E > - D 0 116A 30 4,-2.9 3,-1.9 -2,-0.4 67,-0.1 -0.399 43.0-100.0 -69.8 165.1 -1.6 8.5 15.8 50 62 A S T 3 S+ 0 0 92 65,-0.7 66,-0.1 1,-0.3 -1,-0.1 0.523 123.7 67.8 -79.5 4.6 -5.3 8.2 16.6 51 63 A N T 3 S- 0 0 113 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.143 118.9-111.7 -93.3 12.9 -5.2 11.7 17.9 52 64 A G S < S+ 0 0 41 -3,-1.9 2,-0.2 1,-0.2 -2,-0.1 0.234 75.7 134.7 79.5 -16.5 -4.6 12.8 14.3 53 65 A K - 0 0 150 -5,-0.1 -4,-2.9 1,-0.1 2,-0.5 -0.499 56.9-125.2 -72.3 130.7 -1.1 13.9 15.1 54 66 A K E +E 48 0A 76 -6,-0.2 -6,-0.2 -2,-0.2 3,-0.1 -0.663 29.4 176.4 -82.4 123.6 1.4 12.7 12.4 55 67 A F E + 0 0 25 -8,-1.9 2,-0.3 -2,-0.5 -1,-0.2 0.744 67.6 7.6 -95.7 -29.6 4.4 10.7 13.8 56 68 A D E +E 47 0A 38 -9,-1.3 -9,-3.0 53,-0.0 2,-0.3 -0.962 58.2 174.2-160.1 139.9 6.0 9.8 10.4 57 69 A S E >> -E 46 0A 2 -2,-0.3 3,-1.2 -11,-0.2 4,-0.6 -0.994 33.4-143.8-147.4 138.7 5.8 10.5 6.7 58 70 A S H 3>>S+ 0 0 0 -13,-2.2 5,-2.0 -2,-0.3 4,-1.2 0.617 103.4 67.6 -70.4 -12.4 7.8 9.7 3.5 59 71 A H H 345S+ 0 0 93 -14,-0.6 -1,-0.2 3,-0.2 -13,-0.1 0.543 85.5 68.3 -83.6 -8.0 6.8 13.3 2.4 60 72 A D H <45S+ 0 0 104 -3,-1.2 -1,-0.2 1,-0.1 -2,-0.2 0.913 117.8 22.2 -73.8 -45.4 9.0 14.9 5.1 61 73 A R H <5S- 0 0 124 -4,-0.6 -2,-0.2 2,-0.2 -1,-0.1 0.710 103.8-128.6 -85.3 -26.0 12.2 13.7 3.4 62 74 A N T <5 + 0 0 126 -4,-1.2 -3,-0.2 1,-0.3 -4,-0.1 0.881 67.5 132.1 67.6 46.1 10.4 13.3 -0.0 63 75 A E < - 0 0 11 -5,-2.0 -1,-0.3 70,-0.0 -2,-0.2 -0.993 60.5-122.1-135.3 123.2 11.8 9.8 -0.1 64 76 A P - 0 0 29 0, 0.0 2,-0.5 0, 0.0 -20,-0.2 -0.389 26.4-124.6 -60.3 135.9 10.0 6.5 -0.9 65 77 A F E -C 43 0A 67 -22,-2.6 -22,-3.5 -2,-0.1 2,-0.3 -0.796 33.2-164.0 -83.3 125.2 10.2 3.9 1.9 66 78 A V E +C 42 0A 13 -2,-0.5 2,-0.3 -24,-0.2 -24,-0.2 -0.873 19.1 142.8-114.4 140.4 11.6 0.7 0.3 67 79 A F E -C 41 0A 3 -26,-2.0 -26,-3.2 -2,-0.3 2,-0.6 -0.992 51.0 -90.9-167.5 169.1 11.6 -2.8 1.7 68 80 A S E > -C 40 0A 10 -2,-0.3 3,-1.2 -28,-0.2 5,-0.5 -0.807 48.2-124.9 -90.8 117.6 11.3 -6.6 1.0 69 81 A L T 3 S+ 0 0 0 -30,-2.4 -31,-3.8 -2,-0.6 -30,-0.1 -0.368 85.3 11.8 -65.6 134.4 7.6 -7.6 1.3 70 82 A G T 3 S+ 0 0 30 -33,-0.2 -1,-0.2 -32,-0.1 -33,-0.1 0.419 95.1 103.1 90.3 3.5 6.8 -10.4 3.7 71 83 A K S < S- 0 0 98 -3,-1.2 -2,-0.1 75,-0.0 417,-0.1 0.223 92.4-108.7-105.6 10.9 10.1 -10.6 5.5 72 84 A G S S+ 0 0 34 -4,-0.1 416,-0.2 3,-0.1 417,-0.1 0.759 79.8 128.5 67.4 25.4 9.2 -8.8 8.8 73 85 A Q S S+ 0 0 49 -5,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.545 74.8 34.1 -85.2 -8.2 11.2 -5.7 8.0 74 86 A V S S- 0 0 22 -6,-0.1 5,-0.1 1,-0.1 -7,-0.0 -0.834 109.0 -67.3-133.3 170.7 8.1 -3.6 8.7 75 87 A I >> - 0 0 19 -2,-0.3 3,-1.9 1,-0.1 4,-1.5 -0.268 53.5-107.9 -57.7 150.7 5.2 -3.8 11.2 76 88 A K H 3> S+ 0 0 89 24,-0.3 4,-2.6 1,-0.3 5,-0.2 0.833 116.6 62.5 -51.3 -40.4 2.8 -6.7 10.5 77 89 A A H 3> S+ 0 0 0 22,-2.5 4,-2.9 1,-0.2 -1,-0.3 0.737 105.5 47.3 -60.7 -22.5 0.0 -4.4 9.2 78 90 A W H <> S+ 0 0 10 -3,-1.9 4,-2.7 21,-0.2 5,-0.5 0.908 109.8 48.4 -88.0 -47.4 2.3 -3.3 6.3 79 91 A D H X S+ 0 0 24 -4,-1.5 4,-1.0 2,-0.2 -2,-0.2 0.912 123.3 39.1 -52.0 -42.8 3.5 -6.7 5.2 80 92 A I H X S+ 0 0 48 -4,-2.6 4,-0.8 -5,-0.2 -2,-0.2 0.985 119.5 43.5 -70.6 -61.6 -0.2 -7.5 5.3 81 93 A G H >< S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.2 -3,-0.2 0.925 115.4 46.7 -49.3 -57.0 -1.6 -4.3 3.9 82 94 A V H >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.3 -1,-0.2 0.819 103.5 62.9 -62.4 -34.1 0.9 -3.9 1.1 83 95 A A H 3< S+ 0 0 39 -4,-1.0 -1,-0.3 -5,-0.5 -2,-0.2 0.715 103.8 50.8 -62.4 -18.5 0.5 -7.5 0.0 84 96 A T T << S+ 0 0 49 -3,-1.9 -1,-0.3 -4,-0.8 2,-0.3 0.330 96.1 100.5 -97.9 7.3 -3.1 -6.7 -0.7 85 97 A M < - 0 0 0 -3,-2.0 2,-0.3 -4,-0.1 36,-0.0 -0.657 60.7-142.9-100.8 150.0 -2.2 -3.6 -2.9 86 98 A K > - 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