==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 20-JUN-13 4LAV . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.BRACHER,C.KOZANY,A.HAEHLE,P.WILD,M.ZACHARIAS,F.HAUSCH . 478 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24558.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 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 . 168 35.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 34 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 4 0 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 . 9 0 2 2 0 8 0 0 2 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 2 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 16 A A 0 0 101 0, 0.0 329,-0.0 0, 0.0 354,-0.0 0.000 360.0 360.0 360.0 145.7 -0.3 7.5 69.4 2 17 A P - 0 0 16 0, 0.0 354,-0.1 0, 0.0 352,-0.0 -0.094 360.0-122.1 -61.0 149.7 3.4 8.0 68.5 3 18 A L - 0 0 44 1,-0.1 20,-0.1 327,-0.0 2,-0.1 -0.748 32.9-113.8 -89.1 129.0 5.6 5.3 66.9 4 19 A P - 0 0 56 0, 0.0 18,-0.6 0, 0.0 2,-0.5 -0.411 26.1-144.0 -69.5 136.7 8.6 4.5 68.9 5 20 A M + 0 0 5 255,-0.1 2,-0.3 16,-0.1 255,-0.1 -0.898 31.8 153.5-103.1 128.6 11.9 5.5 67.2 6 21 A E S S- 0 0 132 -2,-0.5 14,-0.1 14,-0.4 251,-0.0 -0.908 71.9 -9.1-157.6 123.9 14.9 3.2 67.7 7 22 A G S S+ 0 0 40 -2,-0.3 13,-0.2 250,-0.1 -1,-0.1 0.951 77.3 171.6 48.5 55.7 17.9 2.7 65.4 8 23 A V + 0 0 11 11,-0.1 12,-2.8 1,-0.1 2,-0.9 0.831 51.0 80.3 -68.9 -35.4 16.1 4.8 62.8 9 24 A D B +A 19 0A 29 10,-0.2 10,-0.2 1,-0.2 -1,-0.1 -0.660 48.6 165.5 -78.3 106.7 18.9 5.1 60.3 10 25 A I + 0 0 35 8,-2.2 -1,-0.2 -2,-0.9 9,-0.1 0.262 30.9 125.6-103.6 8.8 18.9 1.8 58.4 11 26 A S > - 0 0 1 7,-0.6 3,-0.9 1,-0.1 5,-0.1 -0.475 63.2-135.1 -64.6 133.7 21.2 3.0 55.6 12 27 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.932 109.7 46.1 -51.9 -46.0 24.2 0.8 55.1 13 28 A K T 3 S- 0 0 168 1,-0.0 -2,-0.1 -3,-0.0 -3,-0.0 0.553 106.7-131.7 -77.5 -8.2 26.4 3.9 54.8 14 29 A Q < + 0 0 118 -3,-0.9 -5,-0.1 1,-0.1 -1,-0.0 0.945 63.7 135.5 54.8 51.5 24.7 5.4 57.9 15 30 A D S S- 0 0 49 3,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.032 80.1-106.1-113.7 19.9 24.2 8.7 56.1 16 31 A E S S+ 0 0 97 2,-0.2 3,-0.2 -5,-0.1 77,-0.1 0.652 80.6 135.8 59.8 19.8 20.6 9.1 57.3 17 32 A G S S+ 0 0 0 1,-0.2 76,-2.3 75,-0.1 2,-0.4 0.775 70.4 28.5 -66.3 -33.1 19.5 8.2 53.7 18 33 A V E S- B 0 92A 0 74,-0.2 -8,-2.2 55,-0.0 -7,-0.6 -0.969 72.7-171.7-134.0 117.0 16.7 5.7 54.8 19 34 A L E -AB 9 91A 6 72,-2.7 72,-2.3 -2,-0.4 2,-0.4 -0.950 10.1-166.2-117.0 127.0 15.0 6.4 58.2 20 35 A K E + B 0 90A 21 -12,-2.8 -14,-0.4 -2,-0.5 2,-0.3 -0.920 17.5 173.8-124.0 134.3 12.6 3.7 59.5 21 36 A V E - B 0 89A 15 68,-2.4 68,-3.0 -2,-0.4 2,-0.6 -0.969 31.7-122.7-126.7 150.4 10.0 3.5 62.2 22 37 A I E - B 0 88A 41 -18,-0.6 66,-0.3 -2,-0.3 3,-0.2 -0.836 22.1-178.3 -94.9 124.4 7.7 0.5 62.8 23 38 A K E S+ 0 0 104 64,-2.2 2,-0.4 -2,-0.6 65,-0.2 0.883 80.8 7.7 -81.3 -49.3 4.0 1.2 62.7 24 39 A R E S- B 0 87A 121 63,-2.1 63,-2.4 -21,-0.0 -1,-0.3 -0.968 83.8-124.7-137.4 122.5 2.8 -2.3 63.5 25 40 A E - 0 0 121 -2,-0.4 2,-0.0 61,-0.2 57,-0.0 -0.335 26.8-134.5 -67.4 146.9 5.3 -5.0 64.4 26 41 A G - 0 0 12 1,-0.1 59,-0.2 60,-0.1 2,-0.2 -0.043 22.4 -91.0 -88.7-169.7 5.3 -8.2 62.4 27 42 A T S S- 0 0 89 57,-3.1 57,-0.5 3,-0.1 -1,-0.1 -0.679 74.4 -3.6-107.9 159.7 5.3 -11.9 63.4 28 43 A G S S- 0 0 59 -2,-0.2 55,-0.1 1,-0.1 -2,-0.1 -0.226 84.1 -84.9 69.1-148.9 8.1 -14.4 63.9 29 44 A T S S+ 0 0 122 2,-0.0 -1,-0.1 54,-0.0 -3,-0.0 0.574 83.5 107.3-132.0 -30.1 11.8 -13.7 63.4 30 45 A E - 0 0 135 53,-0.0 54,-0.6 1,-0.0 -3,-0.1 -0.227 42.4-169.0 -68.2 145.3 12.6 -14.2 59.7 31 46 A M - 0 0 92 52,-0.1 52,-0.1 -3,-0.0 49,-0.1 -0.902 37.3 -79.8-129.4 157.5 13.2 -11.3 57.3 32 47 A P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.299 41.1-142.2 -74.4 148.3 13.4 -11.6 53.5 33 48 A M > - 0 0 99 1,-0.2 3,-2.1 4,-0.1 33,-0.3 -0.516 38.1 -71.6-100.9 161.8 16.6 -12.8 51.7 34 49 A I T 3 S+ 0 0 126 1,-0.3 33,-0.2 -2,-0.2 -1,-0.2 -0.279 120.9 14.2 -54.9 130.6 18.2 -11.6 48.5 35 50 A G T 3 S+ 0 0 4 31,-3.2 -1,-0.3 1,-0.3 32,-0.1 0.243 89.2 139.9 87.6 -16.5 16.1 -12.7 45.5 36 51 A D < - 0 0 8 -3,-2.1 30,-2.7 29,-0.1 2,-0.6 -0.342 59.3-118.2 -55.0 140.1 13.0 -13.6 47.6 37 52 A R E -CD 65 123A 35 86,-2.6 86,-2.6 28,-0.2 2,-0.3 -0.760 36.1-160.4 -80.6 121.5 9.7 -12.6 45.9 38 53 A V E -CD 64 122A 0 26,-2.7 26,-1.3 -2,-0.6 2,-0.5 -0.828 10.7-151.9-108.4 146.2 8.1 -10.1 48.3 39 54 A F E +CD 63 121A 6 82,-2.7 81,-2.8 -2,-0.3 82,-1.2 -0.977 29.7 160.3-121.9 115.0 4.5 -9.2 48.4 40 55 A V E -CD 62 119A 0 22,-2.9 22,-2.4 -2,-0.5 2,-0.4 -0.869 35.4-145.2-128.7 160.0 3.7 -5.7 49.7 41 56 A H E + D 0 118A 26 77,-1.7 77,-2.7 -2,-0.3 2,-0.3 -0.965 33.8 174.3-115.4 149.0 1.2 -2.9 49.8 42 57 A Y E - D 0 117A 16 -2,-0.4 13,-2.3 75,-0.2 14,-0.7 -0.980 26.3-163.5-149.4 156.0 2.5 0.7 49.8 43 58 A T E -ED 54 116A 2 73,-2.0 73,-2.3 -2,-0.3 2,-0.4 -0.986 14.0-159.5-135.7 143.3 1.7 4.4 49.7 44 59 A G E -ED 53 115A 0 9,-2.7 8,-1.4 -2,-0.3 9,-1.1 -0.963 9.1-177.5-123.8 141.6 4.1 7.2 48.9 45 60 A W E -ED 51 114A 29 69,-2.6 69,-2.4 -2,-0.4 6,-0.2 -0.975 24.2-125.2-131.2 150.2 3.8 10.9 49.7 46 61 A L E > - D 0 113A 20 4,-2.9 3,-2.0 -2,-0.3 67,-0.1 -0.444 41.9-100.9 -78.7 164.9 5.9 14.0 49.1 47 62 A L T 3 S+ 0 0 98 65,-0.7 -1,-0.1 1,-0.3 66,-0.1 0.771 124.1 60.7 -57.0 -27.8 6.9 16.1 52.1 48 63 A D T 3 S- 0 0 120 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.372 124.8-103.4 -81.9 6.1 4.0 18.5 51.2 49 64 A G < + 0 0 50 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.486 69.9 150.6 83.0 4.8 1.6 15.6 51.7 50 65 A T - 0 0 61 56,-0.1 -4,-2.9 1,-0.1 2,-0.8 -0.587 42.6-140.8 -65.9 120.5 1.0 15.0 48.0 51 66 A K E +E 45 0A 126 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.795 26.5 175.4 -82.7 111.6 0.1 11.3 47.7 52 67 A F E + 0 0 37 -8,-1.4 2,-0.3 -2,-0.8 54,-0.2 0.658 57.5 0.2 -95.9 -16.4 1.9 10.3 44.4 53 68 A D E +E 44 0A 48 -9,-1.1 -9,-2.7 53,-0.1 2,-0.3 -0.971 54.0 173.1-168.6 149.7 1.3 6.5 44.3 54 69 A S E -E 43 0A 25 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.2 -0.940 24.7-156.0-159.7 147.1 -0.3 3.6 46.1 55 70 A S S > S+ 0 0 0 -13,-2.3 3,-2.2 -2,-0.3 -12,-0.1 0.510 75.3 96.5 -93.2 -9.3 -0.9 -0.1 45.5 56 71 A L T 3 S+ 0 0 93 -14,-0.7 -1,-0.1 1,-0.3 -13,-0.1 0.705 83.0 47.0 -60.2 -26.9 -3.9 -0.2 47.9 57 72 A D T 3 S+ 0 0 169 -3,-0.2 -1,-0.3 3,-0.0 2,-0.2 0.294 94.5 101.7 -98.0 11.0 -6.6 0.3 45.2 58 73 A R S < S- 0 0 112 -3,-2.2 4,-0.1 2,-0.1 -3,-0.0 -0.633 84.6-110.3 -95.6 155.0 -5.1 -2.3 42.9 59 74 A K S S+ 0 0 202 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 0.898 92.5 4.2 -50.8 -54.6 -6.4 -5.9 42.5 60 75 A D S S- 0 0 87 1,-0.2 -2,-0.1 3,-0.0 3,-0.1 -0.692 93.0 -67.9-125.7-179.5 -3.5 -7.6 44.3 61 76 A K - 0 0 61 -2,-0.2 2,-0.4 1,-0.1 -20,-0.2 -0.220 49.8-108.6 -60.6 154.1 -0.2 -6.8 46.1 62 77 A F E -C 40 0A 69 -22,-2.4 -22,-2.9 -4,-0.1 2,-0.3 -0.733 44.6-170.2 -79.5 132.7 2.7 -5.3 44.4 63 78 A S E +C 39 0A 50 -2,-0.4 2,-0.3 -24,-0.2 -24,-0.2 -0.964 16.6 147.8-130.3 151.2 5.4 -8.0 44.1 64 79 A F E -C 38 0A 7 -26,-1.3 -26,-2.7 -2,-0.3 2,-0.6 -0.959 50.4 -84.3-164.2 172.0 9.1 -8.0 43.1 65 80 A D E > -C 37 0A 6 -2,-0.3 3,-0.9 -28,-0.2 5,-0.5 -0.811 50.3-125.8 -92.2 119.9 12.5 -9.8 43.7 66 81 A L T 3 S+ 0 0 3 -30,-2.7 -31,-3.2 -2,-0.6 -30,-0.1 -0.394 82.7 14.6 -71.3 142.0 14.2 -8.2 46.7 67 82 A G T 3 S+ 0 0 37 -33,-0.2 -1,-0.2 -32,-0.1 -33,-0.1 0.633 95.1 101.2 78.7 19.4 17.8 -6.9 46.5 68 83 A K S < S- 0 0 125 -3,-0.9 -2,-0.1 -34,-0.0 -1,-0.1 0.369 95.9-107.5-114.4 0.3 18.0 -6.8 42.7 69 84 A G S S+ 0 0 58 -4,-0.1 4,-0.1 3,-0.1 -3,-0.1 0.767 79.3 131.5 74.7 26.7 17.4 -3.1 42.1 70 85 A E S S+ 0 0 104 -5,-0.5 2,-0.2 2,-0.1 -4,-0.1 0.594 76.1 29.0 -80.5 -14.1 13.9 -3.7 40.8 71 86 A V S S- 0 0 25 -6,-0.1 5,-0.1 1,-0.1 26,-0.0 -0.779 110.9 -62.3-132.2 177.4 12.7 -0.9 43.1 72 87 A I >> - 0 0 21 -2,-0.2 4,-1.7 1,-0.1 3,-1.3 -0.267 51.7-110.9 -64.7 152.4 14.3 2.2 44.6 73 88 A K H 3> S+ 0 0 117 24,-0.3 4,-2.8 1,-0.3 5,-0.2 0.856 116.1 60.6 -55.7 -39.2 17.2 1.6 46.9 74 89 A A H 3> S+ 0 0 0 22,-2.7 4,-2.8 1,-0.2 -1,-0.3 0.816 106.1 47.9 -57.5 -34.1 15.2 2.7 50.0 75 90 A W H <> S+ 0 0 11 -3,-1.3 4,-2.8 21,-0.3 5,-0.4 0.906 109.7 49.9 -76.4 -44.3 12.8 -0.1 49.4 76 91 A D H X S+ 0 0 26 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.930 118.7 42.1 -55.5 -44.9 15.5 -2.8 48.9 77 92 A I H < S+ 0 0 25 -4,-2.8 4,-0.4 -5,-0.2 -2,-0.2 0.967 119.6 41.6 -65.4 -52.8 17.0 -1.6 52.1 78 93 A A H >< S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.2 4,-0.2 0.891 112.0 51.0 -67.0 -46.4 13.8 -1.1 54.1 79 94 A I H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.856 102.0 62.5 -66.4 -30.6 11.9 -4.2 53.1 80 95 A A T 3< S+ 0 0 38 -4,-1.1 -1,-0.3 -5,-0.4 -2,-0.2 0.711 102.4 52.7 -63.6 -19.1 14.9 -6.4 54.0 81 96 A T T < S+ 0 0 43 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.3 0.439 93.2 99.5 -95.1 0.7 14.5 -5.2 57.6 82 97 A M < - 0 0 0 -3,-1.7 2,-0.2 -4,-0.2 3,-0.1 -0.648 61.6-141.7 -97.9 144.4 10.8 -6.1 57.8 83 98 A K > - 0 0 47 -2,-0.3 3,-2.0 -52,-0.1 36,-0.3 -0.596 45.6 -81.3 -91.0 158.9 9.1 -9.2 59.4 84 99 A V T 3 S+ 0 0 34 -54,-0.6 -57,-3.1 -57,-0.5 36,-0.2 -0.423 120.2 19.6 -60.9 132.7 6.1 -10.8 57.7 85 100 A G T 3 S+ 0 0 22 34,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.439 94.6 136.8 83.8 1.9 3.0 -8.8 58.7 86 101 A E < - 0 0 3 -3,-2.0 33,-2.5 33,-0.3 2,-0.4 -0.541 40.6-157.5 -75.9 144.8 5.0 -5.7 59.6 87 102 A V E +BF 24 118A 5 -63,-2.4 -64,-2.2 31,-0.2 -63,-2.1 -0.997 19.4 179.7-116.1 127.5 3.9 -2.2 58.6 88 103 A C E -BF 22 117A 0 29,-2.8 29,-2.4 -2,-0.4 2,-0.5 -0.897 24.0-140.8-125.3 159.4 6.7 0.4 58.6 89 104 A H E -BF 21 116A 18 -68,-3.0 -68,-2.4 -2,-0.3 2,-0.4 -0.985 24.0-171.8-115.1 126.3 7.1 4.1 57.8 90 105 A I E -BF 20 115A 0 25,-2.6 25,-2.5 -2,-0.5 2,-0.5 -0.930 17.3-160.3-121.0 142.2 10.2 5.2 55.9 91 106 A T E -BF 19 114A 7 -72,-2.3 -72,-2.7 -2,-0.4 2,-0.4 -0.989 22.5-169.9-111.0 125.4 11.7 8.7 55.1 92 107 A C E -BF 18 113A 0 21,-2.8 21,-2.4 -2,-0.5 -74,-0.2 -0.975 19.3-132.8-127.6 135.3 14.1 8.5 52.2 93 108 A K > - 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