==== 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 3O5Q . 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) . 7118.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 67.2 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 . 12 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 11.7 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 1 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,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-174.0 -4.6 -1.0 -7.0 2 14 A A H > + 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.876 360.0 53.3 -59.1 -42.8 -1.9 -3.5 -6.2 3 15 A P H > S+ 0 0 46 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.935 112.1 45.5 -58.8 -43.9 0.7 -2.1 -8.6 4 16 A A H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.895 111.2 54.2 -62.4 -41.9 0.4 1.4 -7.2 5 17 A T H X S+ 0 0 70 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.927 110.9 43.0 -62.9 -45.5 0.5 -0.0 -3.6 6 18 A V H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.883 112.7 55.1 -70.5 -30.7 3.8 -1.9 -4.1 7 19 A T H < S+ 0 0 60 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.917 121.3 29.2 -58.5 -43.4 5.2 1.1 -6.0 8 20 A E H < S+ 0 0 137 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.650 134.5 28.2 -93.8 -20.3 4.4 3.4 -3.0 9 21 A Q H < S+ 0 0 139 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.259 91.1 114.1-130.2 4.8 4.7 0.9 -0.1 10 22 A G < - 0 0 12 -4,-1.6 2,-0.4 -5,-0.2 14,-0.2 -0.383 61.1-119.4 -84.8 163.1 7.2 -1.7 -1.2 11 23 A E E -A 23 0A 141 12,-2.5 12,-2.0 -2,-0.1 2,-0.5 -0.852 24.1-118.2-103.3 133.8 10.6 -2.5 0.2 12 24 A D E +A 22 0A 22 -2,-0.4 10,-0.2 10,-0.2 8,-0.0 -0.575 32.1 175.6 -71.9 118.9 13.8 -2.2 -1.9 13 25 A I + 0 0 32 8,-2.2 2,-0.2 -2,-0.5 -1,-0.1 0.222 38.1 117.9-108.6 11.1 15.4 -5.7 -2.1 14 26 A T - 0 0 3 7,-0.5 3,-0.5 1,-0.1 5,-0.1 -0.476 66.4-134.1 -79.5 149.9 18.3 -4.9 -4.5 15 27 A S S S+ 0 0 123 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.0 0.794 110.1 50.1 -67.0 -30.7 21.9 -5.2 -3.5 16 28 A K S S- 0 0 156 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.630 101.6-135.3 -79.3 -14.8 22.5 -1.7 -5.1 17 29 A K + 0 0 145 -3,-0.5 -2,-0.1 1,-0.1 -5,-0.0 0.939 61.0 136.8 48.7 53.8 19.6 -0.1 -3.2 18 30 A D S S- 0 0 74 3,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.197 72.7-116.5-107.7 12.5 18.6 1.6 -6.4 19 31 A R S S+ 0 0 131 2,-0.2 3,-0.2 -5,-0.1 77,-0.1 0.681 74.2 134.4 55.2 29.6 14.8 0.9 -5.8 20 32 A G S S+ 0 0 4 1,-0.2 76,-2.8 75,-0.1 2,-0.4 0.721 71.3 31.6 -78.4 -21.5 14.8 -1.3 -9.0 21 33 A V E S- B 0 95A 0 74,-0.2 -8,-2.2 2,-0.0 -7,-0.5 -0.955 72.2-173.7-139.4 115.4 12.9 -4.1 -7.3 22 34 A L E -AB 12 94A 6 72,-2.2 72,-2.5 -2,-0.4 2,-0.4 -0.896 8.9-163.3-109.9 144.7 10.3 -3.4 -4.6 23 35 A K E -AB 11 93A 20 -12,-2.0 -12,-2.5 -2,-0.4 2,-0.4 -0.965 18.1-173.5-132.3 143.1 8.6 -6.2 -2.6 24 36 A I E - B 0 92A 39 68,-2.0 68,-2.6 -2,-0.4 2,-0.6 -0.999 25.6-135.0-125.5 132.8 5.6 -6.7 -0.4 25 37 A V E + B 0 91A 70 -2,-0.4 66,-0.3 66,-0.2 3,-0.2 -0.772 24.5 177.3 -83.8 119.0 5.0 -10.0 1.4 26 38 A K E S+ 0 0 125 64,-2.5 2,-0.4 -2,-0.6 65,-0.2 0.791 72.1 18.4 -92.3 -37.6 1.3 -10.9 0.9 27 39 A R E S- B 0 90A 117 63,-2.2 63,-1.8 0, 0.0 -1,-0.3 -0.974 81.0-127.4-136.8 125.4 1.4 -14.3 2.6 28 40 A V - 0 0 120 -2,-0.4 57,-0.0 61,-0.2 63,-0.0 -0.482 30.4-146.1 -68.0 133.6 4.1 -15.4 5.0 29 41 A G - 0 0 11 -2,-0.2 2,-0.5 1,-0.1 59,-0.2 0.040 29.4 -60.3 -90.5-158.5 5.6 -18.8 4.0 30 42 A N S S- 0 0 108 57,-3.1 57,-0.5 3,-0.1 3,-0.3 -0.752 83.5 -37.6-103.9 125.4 7.0 -21.7 6.0 31 43 A G S S- 0 0 66 -2,-0.5 -2,-0.1 1,-0.2 55,-0.1 -0.274 84.5 -68.1 66.2-154.2 10.0 -21.6 8.3 32 44 A E S S+ 0 0 182 2,-0.1 2,-0.4 54,-0.0 -1,-0.2 0.460 89.4 111.7-114.7 -9.4 13.1 -19.5 7.7 33 45 A E - 0 0 139 -3,-0.3 54,-0.6 54,-0.0 -3,-0.1 -0.591 40.6-171.2 -84.8 131.6 14.7 -21.1 4.7 34 46 A T - 0 0 51 -2,-0.4 52,-0.2 52,-0.2 49,-0.1 -0.739 38.2 -89.1-103.2 160.4 14.9 -19.5 1.3 35 47 A P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.121 40.0-128.0 -64.5 166.1 16.2 -21.4 -1.8 36 48 A M > - 0 0 119 1,-0.1 3,-2.5 33,-0.0 33,-0.3 -0.809 36.8 -75.1-113.6 160.1 19.8 -21.5 -2.8 37 49 A I T 3 S+ 0 0 105 -2,-0.3 33,-0.2 1,-0.3 3,-0.1 -0.198 119.2 21.6 -49.5 132.4 21.5 -20.8 -6.1 38 50 A G T 3 S+ 0 0 26 31,-3.0 -1,-0.3 1,-0.3 90,-0.2 0.301 88.6 138.2 88.2 -9.3 21.0 -23.6 -8.6 39 51 A D < - 0 0 15 -3,-2.5 30,-2.6 30,-0.1 2,-0.7 -0.407 61.3-116.0 -65.9 147.0 17.8 -24.9 -6.9 40 52 A K E -CD 68 126A 94 86,-2.8 86,-1.8 28,-0.2 2,-0.4 -0.748 40.0-165.5 -78.5 114.6 15.0 -26.0 -9.1 41 53 A V E -CD 67 125A 0 26,-3.0 26,-2.0 -2,-0.7 2,-0.5 -0.905 12.2-156.9-111.7 139.8 12.2 -23.5 -8.1 42 54 A Y E +CD 66 124A 67 82,-2.5 81,-2.4 -2,-0.4 82,-1.3 -0.974 21.5 173.8-114.6 122.2 8.5 -23.9 -8.9 43 55 A V E -CD 65 122A 0 22,-2.6 22,-2.7 -2,-0.5 2,-0.4 -0.949 28.4-147.5-130.0 150.5 6.4 -20.7 -8.9 44 56 A H E + D 0 121A 37 77,-2.2 77,-2.8 -2,-0.3 2,-0.3 -0.889 37.7 160.9 -99.2 148.5 2.9 -19.6 -9.7 45 57 A Y E - D 0 120A 5 -2,-0.4 13,-1.9 75,-0.2 14,-0.7 -0.997 34.5-153.6-158.7 164.3 2.7 -16.0 -11.0 46 58 A K E -ED 57 119A 24 73,-2.0 73,-2.1 -2,-0.3 2,-0.4 -0.986 17.8-158.2-136.5 142.3 0.9 -13.3 -12.9 47 59 A G E -ED 56 118A 0 9,-2.4 8,-1.4 -2,-0.3 9,-1.2 -0.975 7.4-172.8-123.7 139.6 2.5 -10.3 -14.6 48 60 A K E -ED 54 117A 81 69,-2.6 69,-2.6 -2,-0.4 6,-0.2 -0.971 17.3-133.8-129.9 145.7 1.0 -7.0 -15.5 49 61 A L E > - D 0 116A 19 4,-2.8 3,-2.0 -2,-0.4 67,-0.1 -0.467 35.7-104.6 -84.0 165.4 2.2 -4.1 -17.5 50 62 A S T 3 S+ 0 0 105 65,-0.7 66,-0.1 1,-0.3 -1,-0.1 0.594 119.8 63.9 -72.0 -6.0 1.9 -0.5 -16.3 51 63 A N T 3 S- 0 0 122 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.359 122.3-104.8 -91.1 5.5 -1.0 -0.0 -18.8 52 64 A G S < S+ 0 0 48 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.244 74.7 141.1 91.9 -9.5 -3.0 -2.6 -16.9 53 65 A K - 0 0 44 1,-0.1 -4,-2.8 -5,-0.1 2,-0.8 -0.449 50.9-135.5 -68.5 133.2 -2.6 -5.5 -19.4 54 66 A K E +E 48 0A 113 -6,-0.2 -6,-0.3 -2,-0.2 3,-0.1 -0.812 27.2 178.1 -84.3 111.1 -2.0 -9.0 -17.9 55 67 A F E + 0 0 21 -8,-1.4 2,-0.3 -2,-0.8 -7,-0.2 0.638 59.4 9.8 -93.4 -14.8 0.8 -10.3 -20.1 56 68 A D E +E 47 0A 40 -9,-1.2 -9,-2.4 53,-0.0 2,-0.2 -0.980 53.5 174.7-161.2 150.1 1.4 -13.6 -18.5 57 69 A S E > -E 46 0A 8 -2,-0.3 4,-0.9 -11,-0.2 -11,-0.2 -0.756 20.2-162.4-163.1 119.4 -0.1 -16.1 -15.9 58 70 A S H >>S+ 0 0 0 -13,-1.9 5,-1.5 -2,-0.2 4,-0.9 0.853 96.6 61.8 -67.0 -30.7 0.9 -19.6 -14.9 59 71 A H H >45S+ 0 0 80 -14,-0.7 3,-0.9 1,-0.2 -1,-0.2 0.922 102.6 49.9 -59.1 -44.5 -2.5 -20.1 -13.4 60 72 A D H 345S+ 0 0 102 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.733 111.2 50.1 -67.3 -23.0 -4.1 -19.6 -16.8 61 73 A R H 3<5S- 0 0 102 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.549 104.4-130.7 -86.4 -14.7 -1.7 -22.1 -18.2 62 74 A N T <<5S+ 0 0 147 -3,-0.9 -3,-0.2 -4,-0.9 -2,-0.1 0.797 78.0 84.9 63.3 33.0 -2.5 -24.7 -15.5 63 75 A E S -C 40 0A 41 -2,-0.3 3,-1.1 -28,-0.2 5,-0.5 -0.859 48.8-117.3 -96.5 120.3 17.1 -22.8 -11.7 69 81 A L T 3 S+ 0 0 5 -30,-2.6 -31,-3.0 -2,-0.6 -30,-0.1 -0.244 87.0 9.7 -64.3 137.4 17.6 -20.0 -9.3 70 82 A G T 3 S+ 0 0 35 -33,-0.2 -1,-0.2 -32,-0.1 -33,-0.1 0.656 94.9 105.8 78.1 18.7 20.3 -17.5 -9.8 71 83 A K S < S- 0 0 123 -3,-1.1 -2,-0.1 -34,-0.0 -1,-0.1 0.302 91.8-108.5-113.4 5.1 21.3 -18.6 -13.3 72 84 A G S S+ 0 0 60 3,-0.1 4,-0.1 -4,-0.1 -3,-0.1 0.745 80.3 129.0 72.2 21.7 19.9 -15.8 -15.4 73 85 A Q S S+ 0 0 111 -5,-0.5 2,-0.3 2,-0.1 -4,-0.1 0.551 76.3 27.9 -81.9 -11.0 17.1 -18.0 -16.8 74 86 A V S S- 0 0 25 -6,-0.1 5,-0.1 1,-0.1 26,-0.0 -0.833 110.4 -63.6-136.7 172.5 14.6 -15.4 -15.8 75 87 A I >> - 0 0 16 -2,-0.3 4,-1.9 1,-0.1 3,-1.2 -0.203 52.2-108.7 -59.9 156.1 14.7 -11.6 -15.5 76 88 A K H 3> S+ 0 0 137 24,-0.3 4,-2.8 1,-0.3 5,-0.3 0.868 117.1 60.5 -57.3 -39.5 17.0 -10.2 -12.8 77 89 A A H 3> S+ 0 0 0 22,-2.7 4,-2.4 1,-0.2 -1,-0.3 0.822 105.9 47.8 -60.1 -33.8 14.1 -9.2 -10.6 78 90 A W H <> S+ 0 0 8 -3,-1.2 4,-2.8 21,-0.3 5,-0.4 0.891 110.0 50.7 -74.4 -41.6 12.9 -12.8 -10.4 79 91 A D H X S+ 0 0 24 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.962 119.4 38.2 -57.3 -48.7 16.3 -14.1 -9.5 80 92 A I H < S+ 0 0 50 -4,-2.8 4,-0.5 -5,-0.2 -2,-0.2 0.919 121.0 45.0 -67.2 -46.5 16.6 -11.5 -6.8 81 93 A G H >< S+ 0 0 0 -4,-2.4 3,-1.5 -5,-0.3 4,-0.3 0.940 111.8 47.4 -70.6 -46.1 13.0 -11.7 -5.6 82 94 A V H >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.866 103.8 65.4 -64.3 -32.2 12.4 -15.4 -5.5 83 95 A A T 3< S+ 0 0 37 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.692 100.6 51.8 -60.7 -20.0 15.7 -15.7 -3.6 84 96 A T T < S+ 0 0 43 -3,-1.5 -1,-0.3 -4,-0.5 2,-0.2 0.488 94.5 97.9 -91.0 -5.1 14.0 -13.8 -0.8 85 97 A M < - 0 0 0 -3,-1.9 2,-0.2 -4,-0.3 -57,-0.1 -0.577 60.0-144.3 -96.1 147.1 11.0 -16.1 -0.6 86 98 A K > - 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0 0 84 -76,-2.8 3,-2.4 -2,-0.5 -19,-0.1 -0.358 38.5-102.2 -71.4 158.4 12.0 -1.4 -13.1 97 109 A P G > >S+ 0 0 12 0, 0.0 5,-2.1 0, 0.0 3,-2.0 0.794 118.3 67.6 -59.0 -28.4 13.1 -2.2 -16.7 98 110 A E G 3 5S+ 0 0 131 1,-0.3 -22,-0.1 3,-0.1 -78,-0.1 0.681 108.7 40.0 -63.2 -19.2 16.8 -2.5 -15.7 99 111 A Y G < 5S+ 0 0 20 -3,-2.4 -22,-2.7 -79,-0.2 -21,-0.3 0.145 128.0 32.1-111.2 15.7 15.7 -5.6 -13.7 100 112 A A T < 5S- 0 0 20 -3,-2.0 -24,-0.3 -24,-0.2 15,-0.1 0.019 127.3 -32.2-136.7-117.5 13.3 -6.8 -16.4 101 113 A Y T >>5S- 0 0 88 13,-0.4 4,-2.0 1,-0.2 3,-0.6 0.335 73.0-162.2-105.8 5.6 13.5 -6.5 -20.2 102 114 A G T 34< - 0 0 21 -5,-2.1 11,-2.4 1,-0.2 12,-0.6 -0.023 57.5 -28.7 61.5-153.6 15.2 -3.1 -20.4 103 115 A S T 34 S+ 0 0 92 9,-0.2 -1,-0.2 1,-0.2 9,-0.1 0.735 134.6 63.5 -70.2 -23.1 15.2 -1.0 -23.6 104 116 A A T <4 S- 0 0 83 -3,-0.6 -2,-0.2 1,-0.1 -1,-0.2 0.899 83.2-168.5 -70.1 -37.3 14.8 -4.1 -25.8 105 117 A G < - 0 0 13 -4,-2.0 2,-0.3 6,-0.2 7,-0.1 -0.309 28.1 -93.9 69.7-166.3 11.5 -5.2 -24.4 106 118 A S B > -G 110 0B 45 4,-2.8 4,-3.1 -4,-0.1 3,-0.3 -0.824 49.6-101.1-152.5 104.5 10.2 -8.7 -25.3 107 119 A L T 4 S+ 0 0 159 -2,-0.3 -2,-0.0 1,-0.3 -3,-0.0 -0.455 90.4 7.8 -75.6 146.9 8.0 -9.1 -28.3 108 120 A P T 4 S+ 0 0 119 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 -0.997 133.5 33.3 -88.8 -5.9 5.1 -9.5 -28.7 109 121 A K T 4 S+ 0 0 112 -3,-0.3 -2,-0.2 1,-0.1 -53,-0.0 0.790 105.8 51.5 -86.9 -34.5 4.1 -8.9 -25.1 110 122 A I B < -G 106 0B 9 -4,-3.1 -4,-2.8 -55,-0.0 -1,-0.1 -0.908 66.8-143.5-126.5 119.7 6.3 -6.3 -23.4 111 123 A P > - 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