==== 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 4DRQ . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP5; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.GOPALAKRISHNAN,C.KOZANY,Y.WANG,B.HOOGELAND,A.BRACHER,F.HAU . 129 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7181.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 66.7 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 32.6 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 . 7 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 10.9 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 0 2 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 5,-0.2 0.000 360.0 360.0 360.0-169.2 -4.7 -1.3 -7.1 2 14 A A H > + 0 0 36 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.870 360.0 52.9 -59.1 -42.2 -2.0 -3.9 -6.3 3 15 A P H > S+ 0 0 36 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.935 111.4 46.8 -59.6 -43.1 0.6 -2.5 -8.7 4 16 A A H > S+ 0 0 44 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 111.1 53.5 -60.5 -42.5 0.3 1.0 -7.2 5 17 A T H X S+ 0 0 69 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.925 110.3 44.2 -64.8 -43.8 0.5 -0.4 -3.7 6 18 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.887 113.2 53.7 -68.5 -33.0 3.7 -2.3 -4.3 7 19 A T H < S+ 0 0 61 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.911 121.6 29.3 -60.3 -44.5 5.1 0.8 -6.0 8 20 A E H < S+ 0 0 142 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.679 135.5 25.9 -92.4 -21.6 4.3 3.0 -3.1 9 21 A Q H < S+ 0 0 141 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.300 91.5 115.1-129.0 3.3 4.6 0.6 -0.1 10 22 A G < - 0 0 11 -4,-1.7 2,-0.4 -5,-0.2 14,-0.2 -0.318 63.5-112.9 -80.6 164.0 7.0 -2.1 -1.3 11 23 A E E -A 23 0A 129 12,-2.6 12,-2.0 -2,-0.1 2,-0.7 -0.808 24.6-122.8 -94.8 133.3 10.4 -3.0 0.1 12 24 A D E +A 22 0A 28 -2,-0.4 10,-0.2 10,-0.2 8,-0.0 -0.660 31.3 177.1 -74.7 114.8 13.5 -2.5 -2.0 13 25 A I + 0 0 29 8,-2.1 2,-0.2 -2,-0.7 -1,-0.1 0.245 39.0 116.6-104.7 11.4 15.2 -5.9 -2.2 14 26 A T - 0 0 2 7,-0.5 3,-0.5 1,-0.1 5,-0.1 -0.534 65.7-137.7 -78.3 146.1 18.0 -5.0 -4.5 15 27 A S S S+ 0 0 121 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.0 0.835 107.8 53.3 -65.3 -33.2 21.6 -5.2 -3.3 16 28 A K S S- 0 0 154 -3,-0.0 -1,-0.2 1,-0.0 -2,-0.0 0.655 102.3-134.8 -75.5 -16.8 22.3 -1.8 -4.9 17 29 A K + 0 0 155 -3,-0.5 -2,-0.1 1,-0.1 -5,-0.0 0.924 62.1 135.7 58.5 45.2 19.3 -0.2 -3.1 18 30 A D S S- 0 0 71 3,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.234 72.1-118.5-106.2 10.8 18.3 1.4 -6.4 19 31 A R S S+ 0 0 124 2,-0.2 3,-0.1 -5,-0.1 77,-0.1 0.651 74.1 132.5 59.6 24.9 14.6 0.6 -6.0 20 32 A G S S+ 0 0 3 1,-0.2 76,-2.8 75,-0.1 2,-0.4 0.690 70.9 33.8 -79.0 -20.3 14.7 -1.5 -9.1 21 33 A V E S- B 0 95A 0 74,-0.2 -8,-2.1 2,-0.0 -7,-0.5 -0.950 72.8-175.5-138.6 114.6 12.8 -4.5 -7.5 22 34 A L E -AB 12 94A 6 72,-2.2 72,-2.6 -2,-0.4 2,-0.4 -0.900 7.3-166.0-114.0 144.2 10.2 -3.8 -4.9 23 35 A K E -AB 11 93A 14 -12,-2.0 -12,-2.6 -2,-0.4 2,-0.4 -0.977 18.5-173.9-135.1 142.8 8.4 -6.5 -2.9 24 36 A I E - B 0 92A 38 68,-2.0 68,-2.5 -2,-0.4 2,-0.6 -0.998 26.0-135.2-127.3 130.5 5.3 -7.1 -0.7 25 37 A V E + B 0 91A 66 -2,-0.4 66,-0.3 66,-0.2 3,-0.2 -0.760 26.9 175.2 -80.6 118.5 4.8 -10.5 1.0 26 38 A K E S+ 0 0 127 64,-2.4 2,-0.4 -2,-0.6 65,-0.2 0.797 70.2 24.3 -94.6 -44.2 1.0 -11.2 0.5 27 39 A R E S- B 0 90A 115 63,-2.3 63,-1.9 0, 0.0 -1,-0.3 -0.994 85.3-127.3-123.5 127.4 0.8 -14.7 2.0 28 40 A V - 0 0 122 -2,-0.4 63,-0.0 61,-0.2 2,-0.0 -0.529 28.1-147.5 -72.6 133.0 3.4 -15.7 4.5 29 41 A G - 0 0 14 -2,-0.2 2,-0.5 1,-0.1 59,-0.2 0.018 30.3 -60.5 -91.2-164.1 5.2 -19.0 3.7 30 42 A N S S- 0 0 110 57,-3.0 57,-0.4 3,-0.1 3,-0.3 -0.697 80.4 -48.9 -93.8 124.9 6.6 -21.9 5.7 31 43 A G S S- 0 0 67 -2,-0.5 -2,-0.1 1,-0.2 55,-0.1 -0.178 84.7 -60.2 60.8-143.4 9.4 -21.5 8.3 32 44 A E S S+ 0 0 179 2,-0.0 2,-0.2 54,-0.0 -1,-0.2 0.537 89.6 110.9-119.3 -14.0 12.6 -19.6 7.5 33 45 A E - 0 0 140 -3,-0.3 54,-0.6 54,-0.0 -3,-0.1 -0.474 39.1-173.1 -80.6 138.9 14.3 -21.4 4.6 34 46 A T - 0 0 51 -2,-0.2 52,-0.2 52,-0.2 49,-0.1 -0.817 36.4 -88.1-116.2 161.4 14.6 -19.9 1.1 35 47 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.165 40.3-132.3 -65.4 162.2 15.9 -21.6 -2.0 36 48 A M > - 0 0 120 1,-0.1 3,-2.6 33,-0.0 33,-0.3 -0.792 36.8 -71.8-113.5 165.1 19.5 -21.7 -2.8 37 49 A I T 3 S+ 0 0 107 -2,-0.3 33,-0.2 1,-0.3 -1,-0.1 -0.190 119.4 20.4 -51.9 133.5 21.3 -21.0 -6.0 38 50 A G T 3 S+ 0 0 29 31,-3.0 -1,-0.3 1,-0.3 90,-0.2 0.307 88.7 138.4 87.4 -9.7 20.9 -23.7 -8.5 39 51 A D < - 0 0 14 -3,-2.6 30,-2.8 88,-0.1 2,-0.6 -0.375 60.5-116.3 -66.8 147.7 17.7 -25.1 -6.9 40 52 A K E -CD 68 126A 85 86,-2.8 86,-2.0 28,-0.2 2,-0.4 -0.770 38.9-164.0 -79.0 118.1 14.9 -26.2 -9.2 41 53 A V E -CD 67 125A 0 26,-2.9 26,-1.8 -2,-0.6 2,-0.5 -0.874 12.1-155.7-111.6 143.4 12.0 -23.9 -8.2 42 54 A Y E +CD 66 124A 45 82,-2.5 81,-2.4 -2,-0.4 82,-1.3 -0.984 24.1 169.4-117.9 121.4 8.4 -24.3 -9.1 43 55 A V E -CD 65 122A 0 22,-2.7 22,-2.9 -2,-0.5 2,-0.4 -0.934 29.9-148.8-133.5 152.9 6.2 -21.2 -9.2 44 56 A H E + D 0 121A 34 77,-2.0 77,-3.0 -2,-0.3 2,-0.3 -0.950 35.6 161.4-109.1 145.2 2.8 -20.0 -10.2 45 57 A Y E - D 0 120A 3 -2,-0.4 13,-2.3 75,-0.2 14,-0.7 -0.989 32.2-154.3-154.8 161.0 2.6 -16.4 -11.4 46 58 A K E -ED 57 119A 74 73,-1.9 73,-2.1 -2,-0.3 2,-0.4 -0.981 17.9-154.8-134.4 147.5 0.7 -13.8 -13.3 47 59 A G E -ED 56 118A 0 9,-2.5 8,-2.5 -2,-0.3 9,-1.3 -0.969 7.0-169.6-122.8 142.9 2.3 -10.7 -14.9 48 60 A K E -ED 54 117A 57 69,-2.7 69,-2.4 -2,-0.4 6,-0.2 -0.972 15.3-135.7-127.6 144.3 0.8 -7.3 -15.8 49 61 A L E > - D 0 116A 16 4,-2.6 3,-1.9 -2,-0.4 67,-0.1 -0.469 35.4-103.0 -86.3 167.9 2.0 -4.4 -17.8 50 62 A S T 3 S+ 0 0 103 65,-0.5 66,-0.1 1,-0.3 -1,-0.1 0.544 118.5 67.6 -74.9 -4.5 1.8 -0.8 -16.7 51 63 A N T 3 S- 0 0 117 2,-0.2 -1,-0.3 0, 0.0 0, 0.0 0.332 120.7-105.7 -91.3 8.4 -1.1 -0.3 -19.0 52 64 A G S < S+ 0 0 53 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.344 76.6 131.3 91.0 -6.5 -3.1 -2.6 -16.9 53 65 A K - 0 0 93 2,-0.0 -4,-2.6 -5,-0.0 2,-0.3 -0.618 58.3-125.9 -91.1 137.7 -3.2 -5.7 -19.1 54 66 A K E +E 48 0A 104 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.653 28.7 178.1 -65.4 131.1 -2.3 -9.2 -18.0 55 67 A F E + 0 0 12 -8,-2.5 2,-0.3 1,-0.3 -7,-0.2 0.504 60.6 9.2-113.1 -14.4 0.4 -10.4 -20.4 56 68 A D E +E 47 0A 23 -9,-1.3 -9,-2.5 0, 0.0 -1,-0.3 -0.985 53.1 177.8-161.9 156.6 1.1 -13.9 -18.9 57 69 A S E -E 46 0A 8 -2,-0.3 4,-0.2 -11,-0.2 -11,-0.2 -0.864 19.7-164.0-161.9 125.3 -0.2 -16.5 -16.4 58 70 A S S >>>S+ 0 0 0 -13,-2.3 3,-1.4 -2,-0.3 5,-1.3 0.812 94.8 64.7 -75.6 -31.5 0.9 -20.0 -15.5 59 71 A H G >45S+ 0 0 74 -14,-0.7 3,-1.5 1,-0.3 -1,-0.2 0.901 97.3 55.6 -55.7 -41.7 -2.4 -20.6 -13.7 60 72 A D G 345S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.642 106.4 51.8 -68.3 -16.3 -4.1 -20.3 -17.1 61 73 A R G <45S- 0 0 101 -3,-1.4 -1,-0.3 2,-0.3 -2,-0.2 0.437 104.2-130.3 -93.6 -6.8 -1.8 -23.1 -18.4 62 74 A N T <<5S+ 0 0 149 -3,-1.5 -3,-0.2 -4,-0.5 -2,-0.1 0.803 79.0 87.3 60.1 28.1 -2.6 -25.4 -15.6 63 75 A E S -C 40 0A 42 -2,-0.3 3,-1.0 -28,-0.2 5,-0.5 -0.849 47.5-121.0 -94.9 121.3 16.9 -23.1 -11.9 69 81 A L T 3 S+ 0 0 3 -30,-2.8 -31,-3.0 -2,-0.6 -30,-0.1 -0.322 84.6 11.3 -68.1 138.4 17.4 -20.3 -9.5 70 82 A G T 3 S+ 0 0 34 -33,-0.2 -1,-0.2 -32,-0.1 -33,-0.1 0.665 94.7 104.5 78.0 20.0 20.2 -17.8 -9.8 71 83 A K S < S- 0 0 123 -3,-1.0 -2,-0.1 -34,-0.0 -1,-0.1 0.266 92.8-108.1-113.9 5.2 21.3 -18.9 -13.3 72 84 A G S S+ 0 0 58 3,-0.1 4,-0.1 -4,-0.1 -3,-0.1 0.755 79.8 129.9 69.9 24.0 20.0 -16.0 -15.5 73 85 A Q S S+ 0 0 77 -5,-0.5 2,-0.3 2,-0.1 -4,-0.1 0.602 76.0 29.4 -79.0 -14.3 17.3 -18.3 -16.9 74 86 A V S S- 0 0 12 1,-0.1 5,-0.1 -6,-0.1 26,-0.0 -0.805 109.9 -63.8-134.0 171.5 14.7 -15.6 -16.1 75 87 A I >> - 0 0 12 55,-1.5 4,-1.8 -2,-0.3 3,-1.3 -0.214 52.7-108.8 -58.2 153.9 14.8 -11.8 -15.7 76 88 A K H 3> S+ 0 0 138 24,-0.3 4,-2.7 1,-0.3 5,-0.3 0.863 116.8 60.0 -54.9 -42.5 17.0 -10.4 -13.0 77 89 A A H 3> S+ 0 0 0 22,-2.7 4,-2.7 1,-0.2 -1,-0.3 0.814 105.7 49.1 -57.8 -33.8 14.1 -9.3 -10.9 78 90 A W H <> S+ 0 0 0 -3,-1.3 4,-2.7 21,-0.3 5,-0.5 0.891 109.3 49.6 -74.0 -43.4 12.9 -12.9 -10.7 79 91 A D H X S+ 0 0 25 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.950 119.0 41.0 -58.5 -43.5 16.3 -14.4 -9.7 80 92 A I H X S+ 0 0 54 -4,-2.7 4,-0.5 -5,-0.2 -2,-0.2 0.945 120.8 41.8 -67.1 -50.4 16.5 -11.7 -7.0 81 93 A G H >< S+ 0 0 0 -4,-2.7 3,-1.4 -5,-0.3 4,-0.3 0.918 112.5 49.0 -70.3 -46.6 12.9 -11.9 -5.9 82 94 A V H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.882 103.0 64.6 -64.3 -31.0 12.3 -15.7 -5.9 83 95 A A H 3< S+ 0 0 37 -4,-1.2 -1,-0.3 -5,-0.5 -2,-0.2 0.725 100.5 52.7 -61.6 -22.8 15.5 -16.1 -3.9 84 96 A T T << S+ 0 0 46 -3,-1.4 -1,-0.3 -4,-0.5 2,-0.2 0.497 92.4 101.2 -87.4 -5.9 13.9 -14.2 -1.0 85 97 A M < - 0 0 0 -3,-1.9 2,-0.2 -4,-0.3 3,-0.0 -0.558 60.2-141.8 -92.1 146.3 10.7 -16.4 -0.9 86 98 A K > - 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0 0 82 -76,-2.8 3,-2.4 -2,-0.6 -19,-0.1 -0.362 36.8-102.5 -70.5 158.2 11.8 -1.7 -13.3 97 109 A P G > >S+ 0 0 13 0, 0.0 5,-2.0 0, 0.0 3,-2.0 0.793 118.4 66.1 -59.1 -29.4 13.1 -2.3 -16.8 98 110 A E G 3 5S+ 0 0 134 1,-0.3 -22,-0.1 3,-0.1 -78,-0.1 0.685 109.2 40.5 -63.7 -17.5 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 0.139 128.4 30.1-111.8 16.8 15.8 -5.7 -13.9 100 112 A A T < 5S- 0 0 21 -3,-2.0 -24,-0.3 -24,-0.2 15,-0.1 0.051 127.2 -30.8-138.8-117.0 13.5 -7.0 -16.7 101 113 A Y T >>5S- 0 0 45 13,-0.4 4,-1.8 1,-0.2 3,-0.6 0.352 71.8-162.0-105.6 5.4 13.7 -6.4 -20.5 102 114 A G T 34< - 0 0 23 -5,-2.0 11,-2.3 1,-0.2 12,-0.6 -0.059 58.9 -27.8 60.8-153.0 15.3 -3.0 -20.6 103 115 A S T 34 S+ 0 0 91 9,-0.2 -1,-0.2 1,-0.2 9,-0.1 0.729 134.9 63.1 -71.7 -22.6 15.1 -0.8 -23.7 104 116 A A T <4 S- 0 0 88 -3,-0.6 -2,-0.2 1,-0.1 -1,-0.2 0.859 81.1-171.2 -69.6 -35.5 14.8 -3.9 -25.9 105 117 A G < - 0 0 11 -4,-1.8 2,-0.3 -3,-0.2 7,-0.1 -0.314 31.8 -92.6 64.0-164.4 11.5 -5.1 -24.6 106 118 A S B > -G 110 0B 37 4,-2.5 4,-2.7 -2,-0.0 3,-0.4 -0.772 51.8 -99.8-154.2 103.1 10.5 -8.6 -25.8 107 119 A L T 4 S+ 0 0 162 1,-0.3 -2,-0.0 -2,-0.3 -3,-0.0 -0.416 90.8 12.8 -72.9 144.1 8.2 -8.8 -28.8 108 120 A P T 4 S+ 0 0 122 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 -0.994 133.5 24.6 -84.9 -14.0 5.3 -9.1 -29.2 109 121 A K T 4 S+ 0 0 120 -3,-0.4 -2,-0.2 1,-0.1 -4,-0.0 0.818 106.4 62.5 -88.4 -31.4 4.1 -8.6 -25.6 110 122 A I B < -G 106 0B 14 -4,-2.7 -4,-2.5 -61,-0.0 -1,-0.1 -0.848 68.7-148.7-111.1 115.7 6.6 -6.4 -23.7 111 123 A P > - 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