==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 17-FEB-12 4DRK . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP5; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.GOPALAKRISHNAN,C.KOZANY,S.GAALI,C.KRESS,B.HOOGELAND,A.BRAC . 255 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13041.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 70.2 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 . 88 34.5 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 1.6 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 . 19 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 3 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 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 13 A G > 0 0 85 0, 0.0 4,-1.9 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-167.0 39.7 -27.2 28.0 2 14 A A H > + 0 0 40 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.850 360.0 54.4 -54.5 -41.6 38.4 -23.8 26.7 3 15 A P H > S+ 0 0 17 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.945 108.8 48.6 -60.3 -43.8 37.4 -22.5 30.2 4 16 A A H > S+ 0 0 43 -3,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.861 106.0 58.2 -62.3 -35.6 41.0 -23.2 31.6 5 17 A T H X S+ 0 0 49 -4,-1.9 4,-2.6 2,-0.2 5,-0.4 0.917 105.6 49.5 -61.1 -39.3 42.5 -21.4 28.6 6 18 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.922 109.0 52.3 -63.4 -43.2 40.5 -18.3 29.5 7 19 A T H < S+ 0 0 65 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.919 117.8 39.0 -53.2 -46.0 41.8 -18.6 33.1 8 20 A E H < S+ 0 0 144 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.818 134.4 15.4 -77.2 -35.1 45.3 -18.8 31.8 9 21 A Q H < S+ 0 0 134 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.482 88.4 124.7-121.8 -10.5 45.2 -16.3 28.9 10 22 A G < - 0 0 15 -4,-2.4 2,-0.4 -5,-0.4 14,-0.2 -0.239 58.3-121.5 -65.0 148.7 42.1 -14.1 29.3 11 23 A E E -A 23 0A 106 12,-3.1 12,-2.0 2,-0.0 2,-0.8 -0.709 25.1-125.1 -81.8 131.8 42.2 -10.3 29.5 12 24 A D E +A 22 0A 37 -2,-0.4 10,-0.2 10,-0.2 -1,-0.0 -0.738 32.3 176.0 -82.5 111.4 40.6 -8.9 32.7 13 25 A I + 0 0 30 8,-2.0 2,-0.2 -2,-0.8 -1,-0.1 0.226 38.4 115.8-104.8 12.6 37.9 -6.5 31.5 14 26 A T > - 0 0 1 7,-0.4 3,-0.7 1,-0.1 5,-0.1 -0.588 68.1-134.1 -79.4 143.5 36.5 -5.6 35.0 15 27 A S T 3 S+ 0 0 106 -2,-0.2 -1,-0.1 1,-0.2 -3,-0.0 0.860 109.4 50.4 -62.5 -34.6 36.8 -2.1 36.2 16 28 A K T 3 S- 0 0 86 147,-0.0 -1,-0.2 -3,-0.0 -3,-0.0 0.596 103.1-132.5 -76.9 -12.6 38.0 -3.4 39.5 17 29 A K < + 0 0 129 -3,-0.7 -2,-0.1 1,-0.1 -5,-0.0 0.946 61.5 138.1 54.0 53.3 40.7 -5.7 38.0 18 30 A D S S- 0 0 59 3,-0.1 -1,-0.1 0, 0.0 -3,-0.1 0.195 72.7-114.6-110.9 15.9 39.4 -8.6 40.1 19 31 A R S S+ 0 0 109 2,-0.2 3,-0.2 -5,-0.1 77,-0.2 0.624 76.8 133.1 58.6 20.8 39.6 -11.3 37.4 20 32 A G S S+ 0 0 0 1,-0.3 76,-2.5 75,-0.1 2,-0.4 0.752 73.9 27.7 -72.3 -28.7 35.8 -11.5 37.7 21 33 A V E S- B 0 95A 0 74,-0.2 -8,-2.0 2,-0.0 -7,-0.4 -0.947 76.0-176.7-135.7 110.8 35.3 -11.4 33.9 22 34 A L E -AB 12 94A 3 72,-2.4 72,-2.6 -2,-0.4 2,-0.4 -0.916 7.7-162.9-112.0 142.2 38.1 -12.7 31.8 23 35 A K E -AB 11 93A 7 -12,-2.0 -12,-3.1 -2,-0.4 2,-0.5 -0.977 17.0-167.9-135.4 130.9 38.0 -12.6 27.9 24 36 A I E - B 0 92A 22 68,-2.4 68,-2.4 -2,-0.4 2,-1.0 -0.979 22.0-140.0-110.1 125.8 39.8 -14.2 25.0 25 37 A V E + B 0 91A 42 -2,-0.5 66,-0.2 66,-0.2 3,-0.2 -0.775 25.9 175.2 -79.0 106.1 39.3 -12.6 21.6 26 38 A K E S+ 0 0 122 64,-1.8 2,-0.4 -2,-1.0 65,-0.2 0.842 73.3 19.0 -82.6 -37.4 39.0 -15.8 19.5 27 39 A R E S- B 0 90A 118 63,-2.3 63,-1.9 -3,-0.2 -1,-0.3 -0.964 82.5-132.7-135.8 117.9 38.2 -14.0 16.3 28 40 A V - 0 0 119 -2,-0.4 57,-0.0 -3,-0.2 2,-0.0 -0.450 26.5-142.4 -67.6 134.3 38.9 -10.2 15.9 29 41 A G - 0 0 17 -2,-0.1 2,-0.3 1,-0.1 59,-0.2 -0.113 15.1-102.9 -88.4-167.3 36.0 -8.3 14.4 30 42 A N B S+G 87 0B 113 57,-2.9 57,-0.6 3,-0.1 59,-0.1 -0.844 70.4 32.5-125.0 159.5 35.8 -5.4 12.0 31 43 A G S S- 0 0 46 -2,-0.3 -2,-0.1 1,-0.1 55,-0.0 0.017 77.8-100.8 80.3 164.1 35.3 -1.7 12.2 32 44 A E S S+ 0 0 176 54,-0.1 -1,-0.1 2,-0.0 2,-0.1 0.699 87.2 101.8 -91.7 -22.8 36.4 0.6 15.0 33 45 A E - 0 0 127 -3,-0.0 54,-0.6 53,-0.0 -3,-0.1 -0.316 48.3-168.7 -74.4 143.5 33.0 0.9 16.6 34 46 A T - 0 0 38 52,-0.1 52,-0.2 -2,-0.1 49,-0.1 -0.899 39.4 -88.2-123.1 154.2 31.8 -1.0 19.7 35 47 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 50,-0.1 -0.334 44.2-144.4 -66.0 146.9 28.1 -1.1 20.9 36 48 A M > - 0 0 110 1,-0.1 3,-2.5 4,-0.1 33,-0.3 -0.646 34.6 -67.3-110.4 161.6 27.0 1.8 23.2 37 49 A I T 3 S+ 0 0 100 1,-0.3 33,-0.2 -2,-0.2 -1,-0.1 -0.212 121.7 17.3 -50.3 131.5 24.5 1.9 26.1 38 50 A G T 3 S+ 0 0 26 31,-3.1 -1,-0.3 1,-0.3 32,-0.1 0.289 90.3 137.8 85.8 -9.2 21.0 1.3 24.9 39 51 A D < - 0 0 19 -3,-2.5 30,-2.5 30,-0.2 2,-0.7 -0.362 59.1-119.8 -64.8 148.9 22.0 -0.2 21.6 40 52 A K E -CD 68 126A 96 86,-2.9 86,-2.3 28,-0.2 2,-0.3 -0.824 36.9-165.4 -84.2 119.1 20.1 -3.2 20.4 41 53 A V E -CD 67 125A 0 26,-2.9 26,-1.8 -2,-0.7 2,-0.4 -0.837 12.2-156.0-111.4 148.9 22.6 -6.0 20.1 42 54 A Y E +CD 66 124A 53 82,-2.6 81,-2.0 -2,-0.3 82,-1.5 -0.992 24.4 163.0-122.6 123.5 22.3 -9.4 18.3 43 55 A V E -CD 65 122A 0 22,-2.5 22,-2.9 -2,-0.4 2,-0.4 -0.932 33.4-141.1-135.4 159.0 24.5 -12.3 19.3 44 56 A H E + D 0 121A 28 77,-1.7 77,-2.9 -2,-0.3 2,-0.3 -0.949 35.0 175.9-109.1 145.5 24.9 -16.0 19.0 45 57 A Y E - D 0 120A 26 -2,-0.4 13,-2.2 75,-0.2 14,-0.7 -0.987 30.5-155.0-145.7 159.3 26.2 -17.8 22.1 46 58 A K E -ED 57 119A 81 73,-1.9 73,-2.6 -2,-0.3 2,-0.4 -0.998 21.2-162.3-128.4 129.7 27.0 -21.1 23.8 47 59 A G E +ED 56 118A 1 9,-3.0 8,-2.6 -2,-0.4 9,-1.5 -0.951 15.0 163.2-115.8 135.1 26.9 -21.3 27.6 48 60 A K E -ED 54 117A 47 69,-2.7 69,-3.2 -2,-0.4 6,-0.2 -0.967 41.3-103.6-139.0 156.9 28.5 -23.9 29.8 49 61 A L E > - D 0 116A 10 4,-2.2 3,-2.6 -2,-0.3 67,-0.2 -0.412 47.4-103.6 -66.0 157.5 29.5 -24.3 33.4 50 62 A S T 3 S+ 0 0 57 65,-2.1 -46,-0.2 1,-0.3 66,-0.1 0.754 123.1 63.4 -61.8 -20.6 33.2 -24.0 33.9 51 63 A N T 3 S- 0 0 122 64,-0.2 -1,-0.3 2,-0.1 65,-0.1 0.420 125.6-101.6 -80.1 1.1 33.5 -27.8 34.3 52 64 A G S < S+ 0 0 32 -3,-2.6 2,-0.6 1,-0.2 -2,-0.1 0.283 72.5 145.3 100.4 -6.6 32.2 -28.0 30.7 53 65 A K - 0 0 119 -5,-0.1 -4,-2.2 1,-0.1 -1,-0.2 -0.495 47.1-129.5 -70.3 112.5 28.5 -28.9 31.2 54 66 A K E +E 48 0A 171 -2,-0.6 -6,-0.3 -6,-0.2 3,-0.1 -0.242 33.7 168.2 -62.5 138.4 26.3 -27.3 28.5 55 67 A F E - 0 0 29 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.583 62.3 -9.1-120.2 -23.3 23.3 -25.3 29.6 56 68 A D E -E 47 0A 45 -9,-1.5 -9,-3.0 4,-0.0 -1,-0.4 -0.958 45.3-172.6-168.0 157.1 22.2 -23.4 26.5 57 69 A S E > -E 46 0A 10 -2,-0.3 3,-0.5 -11,-0.2 4,-0.5 -0.916 16.8-155.6-155.2 124.9 23.1 -22.5 22.9 58 70 A S G > >S+ 0 0 0 -13,-2.2 5,-1.8 -2,-0.3 3,-0.7 0.768 95.1 67.9 -72.2 -21.7 21.2 -20.1 20.6 59 71 A H G > 5S+ 0 0 58 -14,-0.7 3,-1.2 1,-0.2 -1,-0.2 0.864 91.1 60.6 -63.9 -33.5 22.6 -22.0 17.6 60 72 A D G < 5S+ 0 0 132 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.805 110.2 41.7 -63.6 -28.3 20.5 -25.0 18.5 61 73 A R G < 5S- 0 0 89 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.361 102.6-130.4 -92.9 -4.7 17.4 -22.7 18.1 62 74 A N T < 5S+ 0 0 145 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.877 71.7 127.4 49.1 39.9 18.7 -21.0 14.9 63 75 A E < - 0 0 111 -5,-1.8 -1,-0.2 0, 0.0 -2,-0.2 -0.922 58.2-139.5-134.7 100.0 17.7 -17.9 16.9 64 76 A P - 0 0 55 0, 0.0 2,-0.4 0, 0.0 -20,-0.2 -0.295 25.9-121.8 -56.7 146.6 20.0 -15.0 17.6 65 77 A F E -C 43 0A 66 -22,-2.9 -22,-2.5 2,-0.0 2,-0.4 -0.816 29.3-161.8 -93.4 131.3 19.7 -13.6 21.1 66 78 A V E +C 42 0A 68 -2,-0.4 2,-0.3 -24,-0.2 -24,-0.2 -0.944 19.0 151.8-120.4 132.3 18.7 -9.9 21.2 67 79 A F E -C 41 0A 6 -26,-1.8 -26,-2.9 -2,-0.4 2,-0.6 -0.977 45.8-104.3-151.1 165.2 19.1 -7.5 24.2 68 80 A S E > -C 40 0A 37 -2,-0.3 3,-0.9 -28,-0.2 5,-0.5 -0.852 45.9-124.3 -94.1 120.1 19.6 -3.8 25.0 69 81 A L T 3 S+ 0 0 2 -30,-2.5 -31,-3.1 -2,-0.6 -30,-0.2 -0.351 78.9 9.4 -70.3 138.7 23.2 -3.2 26.1 70 82 A G T 3 S+ 0 0 16 -33,-0.2 -1,-0.2 -32,-0.1 -33,-0.1 0.616 95.1 102.1 81.5 17.2 24.2 -1.6 29.4 71 83 A K S < S- 0 0 82 -3,-0.9 129,-0.1 130,-0.1 -2,-0.1 0.272 96.0-104.8-118.0 6.7 20.8 -1.6 31.1 72 84 A G S S+ 0 0 38 127,-0.2 4,-0.1 3,-0.1 -3,-0.1 0.833 81.0 130.2 70.4 32.4 21.1 -4.6 33.4 73 85 A Q S S+ 0 0 111 -5,-0.5 2,-0.3 2,-0.1 -4,-0.1 0.438 74.2 29.4 -89.5 -9.0 18.9 -6.8 31.1 74 86 A V S S- 0 0 26 1,-0.1 5,-0.1 -6,-0.1 -2,-0.0 -0.884 109.9 -61.9-142.7 167.5 21.5 -9.6 31.2 75 87 A I >> - 0 0 23 -2,-0.3 4,-1.8 1,-0.1 3,-1.2 -0.127 53.9-107.7 -55.7 155.0 24.1 -10.8 33.8 76 88 A K H 3> S+ 0 0 50 24,-0.3 4,-2.7 1,-0.3 5,-0.3 0.894 117.0 59.1 -55.6 -43.2 26.9 -8.2 34.7 77 89 A A H 3> S+ 0 0 0 22,-2.8 4,-2.4 1,-0.2 -1,-0.3 0.809 105.9 49.6 -59.8 -30.7 29.6 -10.2 32.7 78 90 A W H <> S+ 0 0 11 -3,-1.2 4,-2.8 21,-0.3 5,-0.4 0.906 110.0 48.1 -73.8 -42.9 27.5 -9.8 29.5 79 91 A D H X S+ 0 0 8 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.943 119.6 41.3 -62.6 -43.1 27.0 -6.0 29.9 80 92 A I H < S+ 0 0 38 -4,-2.7 4,-0.5 -5,-0.2 -2,-0.2 0.944 120.4 42.4 -64.7 -49.2 30.7 -5.6 30.6 81 93 A G H >< S+ 0 0 0 -4,-2.4 3,-1.4 -5,-0.3 4,-0.3 0.927 111.7 50.1 -68.7 -47.5 31.9 -8.1 27.9 82 94 A V H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.3 -1,-0.2 0.863 102.1 63.9 -66.2 -31.5 29.6 -7.3 25.0 83 95 A A T 3< S+ 0 0 40 -4,-1.1 -1,-0.3 -5,-0.4 -2,-0.2 0.722 101.8 52.5 -62.5 -19.4 30.5 -3.5 25.4 84 96 A T T < S+ 0 0 51 -3,-1.4 -1,-0.3 -4,-0.5 2,-0.2 0.484 93.2 100.3 -91.6 -3.7 34.1 -4.4 24.5 85 97 A M < - 0 0 0 -3,-1.8 2,-0.2 -4,-0.3 -57,-0.1 -0.560 58.5-143.9 -91.6 151.8 33.3 -6.3 21.3 86 98 A K > - 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