==== 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 4LAY . 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 . 234 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12583.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 70.1 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 . 85 36.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 16 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 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 . 2 2 1 1 0 4 0 0 1 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 1 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 22 A G 0 0 80 0, 0.0 2,-0.4 0, 0.0 14,-0.2 0.000 360.0 360.0 360.0 157.8 31.4 4.0 8.6 2 23 A V E -A 14 0A 101 12,-2.9 12,-2.9 1,-0.0 2,-0.8 -0.789 360.0-120.7 -90.8 130.6 30.8 5.8 11.9 3 24 A D E +A 13 0A 31 -2,-0.4 10,-0.2 10,-0.2 -1,-0.0 -0.639 37.5 169.6 -71.9 108.9 31.8 3.9 15.1 4 25 A I + 0 0 36 8,-2.6 -1,-0.2 -2,-0.8 9,-0.1 0.307 33.0 122.2-104.6 7.5 28.5 3.7 17.1 5 26 A S > - 0 0 1 7,-0.7 3,-1.7 1,-0.1 5,-0.2 -0.519 66.2-132.1 -69.3 131.9 29.8 1.1 19.7 6 27 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.855 110.1 47.8 -47.9 -39.7 29.5 2.4 23.3 7 28 A K T 3 S- 0 0 164 1,-0.0 -2,-0.1 -3,-0.0 -3,-0.0 0.520 105.2-132.6 -81.0 -4.8 33.1 1.3 23.9 8 29 A Q < + 0 0 123 -3,-1.7 -5,-0.1 1,-0.1 -4,-0.0 0.931 64.6 133.6 50.0 51.0 34.3 2.9 20.7 9 30 A D S S- 0 0 58 3,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.091 82.4-104.8-112.8 20.5 36.2 -0.2 19.8 10 31 A E S S+ 0 0 116 -5,-0.2 3,-0.2 2,-0.2 77,-0.1 0.730 80.3 137.6 59.8 25.5 34.9 -0.2 16.2 11 32 A G S S+ 0 0 0 1,-0.3 76,-2.5 75,-0.1 2,-0.4 0.763 72.5 26.7 -68.6 -29.8 32.6 -3.1 17.2 12 33 A V E S- B 0 86A 0 74,-0.2 -8,-2.6 2,-0.0 -7,-0.7 -0.950 72.4-173.4-138.2 115.6 29.6 -1.6 15.3 13 34 A L E -AB 3 85A 46 72,-2.3 72,-2.6 -2,-0.4 2,-0.5 -0.948 8.9-159.5-115.2 129.0 30.2 0.7 12.3 14 35 A K E -AB 2 84A 19 -12,-2.9 -12,-2.9 -2,-0.5 2,-0.5 -0.933 12.9-177.0-117.9 128.6 27.3 2.4 10.7 15 36 A V E - B 0 83A 58 68,-2.8 68,-2.8 -2,-0.5 2,-0.6 -0.992 23.2-138.0-117.6 126.7 27.0 3.9 7.2 16 37 A I E + B 0 82A 68 -2,-0.5 66,-0.3 66,-0.2 3,-0.2 -0.756 22.7 176.6 -87.1 122.7 23.7 5.6 6.3 17 38 A K E S+ 0 0 125 64,-2.6 2,-0.3 -2,-0.6 65,-0.2 0.803 76.7 12.1 -90.8 -37.4 22.5 4.7 2.8 18 39 A R E S- B 0 81A 120 63,-2.1 63,-2.2 0, 0.0 -1,-0.3 -0.968 80.0-127.5-140.6 127.7 19.3 6.7 3.0 19 40 A E - 0 0 152 -2,-0.3 57,-0.0 61,-0.2 63,-0.0 -0.491 25.4-140.2 -73.5 140.3 18.4 9.3 5.7 20 41 A G - 0 0 18 -2,-0.2 59,-0.2 1,-0.1 2,-0.2 0.059 21.1 -96.9 -82.3-162.0 15.0 8.8 7.4 21 42 A T S S+ 0 0 100 57,-2.5 57,-0.5 3,-0.1 59,-0.1 -0.716 72.1 10.4-121.4 167.2 12.5 11.4 8.5 22 43 A G S S- 0 0 64 -2,-0.2 -2,-0.0 1,-0.2 55,-0.0 -0.147 82.8 -91.5 61.5-158.1 11.5 13.3 11.6 23 44 A T S S+ 0 0 129 2,-0.0 -1,-0.2 54,-0.0 2,-0.1 0.561 84.9 106.2-126.7 -20.8 13.7 13.3 14.7 24 45 A E - 0 0 60 54,-0.0 54,-0.6 -3,-0.0 -3,-0.1 -0.338 43.6-172.0 -73.5 144.2 12.4 10.4 16.8 25 46 A M - 0 0 81 52,-0.1 52,-0.2 -2,-0.1 49,-0.1 -0.926 37.4 -82.2-129.5 156.5 14.3 7.1 17.1 26 47 A P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 50,-0.1 -0.270 46.0-149.2 -58.2 144.0 13.2 3.8 18.7 27 48 A M > - 0 0 53 1,-0.1 3,-2.0 4,-0.1 33,-0.3 -0.666 33.8 -73.7-111.3 165.5 13.6 3.7 22.5 28 49 A I T 3 S+ 0 0 65 1,-0.3 105,-0.6 -2,-0.2 33,-0.2 -0.346 122.4 22.7 -58.3 134.8 14.4 0.7 24.7 29 50 A G T 3 S+ 0 0 3 31,-3.2 -1,-0.3 1,-0.3 102,-0.1 0.097 93.3 126.6 94.5 -23.5 11.2 -1.5 25.1 30 51 A D < - 0 0 0 -3,-2.0 30,-2.8 29,-0.1 2,-0.4 -0.368 63.8-119.8 -67.4 145.9 9.7 -0.2 21.8 31 52 A R E -CD 59 117A 83 86,-2.5 86,-2.1 28,-0.2 2,-0.4 -0.738 33.4-159.1 -84.4 138.6 8.6 -2.7 19.2 32 53 A V E -CD 58 116A 0 26,-2.6 26,-1.5 -2,-0.4 2,-0.5 -0.960 12.0-157.3-130.1 138.4 10.5 -2.2 15.9 33 54 A F E +CD 57 115A 38 82,-2.7 81,-2.9 -2,-0.4 82,-1.3 -0.970 28.1 151.6-122.3 119.9 9.7 -3.3 12.3 34 55 A V E -CD 56 113A 0 22,-2.7 22,-2.7 -2,-0.5 2,-0.4 -0.893 38.8-135.8-137.2 161.6 12.5 -3.6 9.8 35 56 A H E + D 0 112A 28 77,-1.7 77,-2.6 -2,-0.3 2,-0.3 -0.964 35.6 176.3-112.2 146.7 13.6 -5.4 6.7 36 57 A Y E - D 0 111A 27 -2,-0.4 13,-1.9 75,-0.2 14,-0.7 -0.974 27.4-156.1-143.1 158.6 17.2 -6.6 6.6 37 58 A T E -ED 48 110A 9 73,-1.9 73,-2.4 -2,-0.3 2,-0.4 -0.989 18.3-155.9-127.4 142.0 19.7 -8.5 4.6 38 59 A G E +ED 47 109A 0 9,-3.0 8,-2.5 -2,-0.3 9,-1.3 -0.959 14.0 174.5-122.0 132.3 22.7 -10.1 6.3 39 60 A W E -ED 45 108A 55 69,-3.0 69,-3.1 -2,-0.4 6,-0.3 -0.960 31.2-118.9-127.6 151.3 26.1 -11.0 4.8 40 61 A L E > - D 0 107A 28 4,-2.8 3,-2.2 -2,-0.3 67,-0.2 -0.428 47.3 -96.2 -70.0 165.5 29.4 -12.4 6.1 41 62 A L T 3 S+ 0 0 114 65,-1.4 66,-0.1 1,-0.3 -1,-0.1 0.805 125.4 60.4 -57.1 -31.9 32.3 -10.0 5.5 42 63 A D T 3 S- 0 0 127 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.519 124.9-101.5 -76.3 -2.0 33.3 -11.8 2.3 43 64 A G S < S+ 0 0 47 -3,-2.2 2,-0.5 1,-0.3 -2,-0.1 0.463 70.9 150.3 96.8 3.3 29.9 -10.9 0.9 44 65 A T - 0 0 69 1,-0.1 -4,-2.8 2,-0.0 2,-0.4 -0.585 43.3-136.1 -68.1 117.1 28.2 -14.3 1.4 45 66 A K E +E 39 0A 123 -2,-0.5 -6,-0.3 -6,-0.3 3,-0.1 -0.636 29.2 172.9 -74.4 127.0 24.5 -13.6 1.9 46 67 A F E - 0 0 24 -8,-2.5 2,-0.3 -2,-0.4 -7,-0.2 0.671 59.5 -8.8-108.3 -21.4 23.1 -15.7 4.8 47 68 A D E -E 38 0A 36 -9,-1.3 -9,-3.0 53,-0.0 -1,-0.3 -0.964 46.6-170.2-168.5 153.2 19.6 -14.3 5.2 48 69 A S E > -E 37 0A 4 -2,-0.3 3,-1.3 -11,-0.2 -11,-0.2 -0.940 21.4-151.2-147.7 134.7 17.0 -11.7 4.2 49 70 A S G > S+ 0 0 1 -13,-1.9 3,-1.6 -2,-0.3 -12,-0.1 0.717 98.1 72.6 -67.9 -21.0 13.6 -10.8 5.6 50 71 A L G 3 S+ 0 0 103 -14,-0.7 -1,-0.2 1,-0.3 -13,-0.1 0.715 86.9 64.3 -62.5 -21.2 12.8 -9.6 2.1 51 72 A D G < S+ 0 0 120 -3,-1.3 -1,-0.3 3,-0.0 2,-0.2 0.484 102.8 58.4 -82.1 -4.4 12.7 -13.3 1.1 52 73 A R S < S- 0 0 119 -3,-1.6 -3,-0.0 2,-0.2 0, 0.0 -0.682 91.5-109.2-121.2 172.3 9.7 -13.8 3.4 53 74 A K S S+ 0 0 99 -2,-0.2 2,-0.2 2,-0.1 -1,-0.0 0.870 91.3 53.5 -74.0 -38.0 6.2 -12.3 3.6 54 75 A D S S- 0 0 133 1,-0.1 -2,-0.2 3,-0.0 2,-0.0 -0.645 81.6-109.5-106.3 154.6 6.6 -10.2 6.8 55 76 A K - 0 0 91 -2,-0.2 2,-0.4 1,-0.1 -20,-0.2 -0.367 43.7-105.0 -65.3 155.8 8.9 -7.5 8.2 56 77 A F E -C 34 0A 67 -22,-2.7 -22,-2.7 -2,-0.0 2,-0.4 -0.729 43.2-171.3 -84.1 133.8 11.2 -8.6 11.0 57 78 A S E +C 33 0A 51 -2,-0.4 2,-0.3 -24,-0.2 -24,-0.2 -0.981 13.4 154.9-130.5 145.2 10.0 -7.3 14.4 58 79 A F E -C 32 0A 3 -26,-1.5 -26,-2.6 -2,-0.4 2,-0.6 -0.959 44.4-100.1-155.7 167.4 11.6 -7.3 17.8 59 80 A D E > -C 31 0A 13 -2,-0.3 3,-0.8 -28,-0.2 5,-0.4 -0.875 46.4-121.3 -98.8 124.3 11.6 -5.4 21.1 60 81 A L T 3 S+ 0 0 2 -30,-2.8 -31,-3.2 -2,-0.6 10,-0.1 -0.354 80.1 9.3 -72.7 140.4 14.5 -3.1 21.4 61 82 A G T 3 S+ 0 0 36 -33,-0.2 -1,-0.2 -32,-0.1 -33,-0.1 0.642 94.3 102.2 78.8 20.0 17.2 -3.1 24.1 62 83 A K S < S- 0 0 105 -3,-0.8 -2,-0.1 -33,-0.0 -1,-0.1 0.249 96.9-104.4-118.6 9.0 16.2 -6.4 25.8 63 84 A G S S+ 0 0 63 3,-0.1 4,-0.1 -4,-0.1 -3,-0.1 0.863 82.5 130.6 62.6 35.2 18.8 -8.8 24.4 64 85 A E S S+ 0 0 105 -5,-0.4 2,-0.3 2,-0.1 -4,-0.1 0.527 75.8 26.1 -84.1 -17.6 16.2 -10.2 22.0 65 86 A V S S- 0 0 27 -6,-0.1 5,-0.1 1,-0.1 -2,-0.0 -0.853 110.4 -64.1-138.2 167.9 18.7 -9.8 19.1 66 87 A I >> - 0 0 26 -2,-0.3 4,-1.5 1,-0.1 3,-1.2 -0.175 53.3-108.5 -55.6 153.8 22.5 -9.6 18.9 67 88 A K H 3> S+ 0 0 115 24,-0.3 4,-2.5 1,-0.3 5,-0.2 0.866 116.6 62.3 -57.0 -39.1 24.1 -6.7 20.7 68 89 A A H 3> S+ 0 0 0 22,-2.9 4,-2.8 1,-0.2 -1,-0.3 0.848 105.7 48.0 -54.8 -36.0 25.1 -4.9 17.4 69 90 A W H <> S+ 0 0 8 -3,-1.2 4,-2.5 21,-0.3 5,-0.4 0.876 108.2 51.4 -74.8 -38.4 21.3 -4.7 16.6 70 91 A D H X S+ 0 0 15 -4,-1.5 4,-0.7 1,-0.2 -2,-0.2 0.906 117.6 42.8 -61.7 -38.5 20.3 -3.3 20.0 71 92 A I H < S+ 0 0 17 -4,-2.5 4,-0.3 -5,-0.2 -2,-0.2 0.960 119.5 40.8 -67.0 -53.1 23.0 -0.7 19.5 72 93 A A H >< S+ 0 0 0 -4,-2.8 3,-1.8 -5,-0.2 4,-0.2 0.882 108.2 54.5 -73.3 -44.4 22.3 0.1 15.9 73 94 A I H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.849 100.4 63.5 -62.9 -32.5 18.5 0.2 15.7 74 95 A A T 3< S+ 0 0 36 -4,-0.7 -1,-0.3 -5,-0.4 -2,-0.2 0.639 101.3 53.0 -59.8 -18.0 18.4 2.8 18.5 75 96 A T T < S+ 0 0 43 -3,-1.8 -1,-0.3 -4,-0.3 2,-0.2 0.422 92.8 100.2 -99.4 -1.1 20.3 5.2 16.2 76 97 A M < - 0 0 0 -3,-1.7 2,-0.3 -4,-0.2 -57,-0.1 -0.566 57.0-148.3 -95.4 149.9 17.8 4.9 13.3 77 98 A K > - 0 0 61 -2,-0.2 3,-2.1 -52,-0.2 36,-0.3 -0.756 42.7 -82.4-103.7 159.1 15.0 7.2 12.1 78 99 A V T 3 S+ 0 0 49 -54,-0.6 -57,-2.5 -57,-0.5 36,-0.2 -0.390 120.3 20.8 -60.5 132.1 11.8 6.0 10.3 79 100 A G T 3 S+ 0 0 20 34,-3.0 -1,-0.3 1,-0.3 2,-0.1 0.276 93.3 137.9 91.9 -11.6 12.6 5.5 6.6 80 101 A E < - 0 0 1 -3,-2.1 33,-2.1 33,-0.1 2,-0.5 -0.421 37.0-163.2 -70.3 140.1 16.4 5.2 7.3 81 102 A V E +BF 18 112A 15 -63,-2.2 -64,-2.6 31,-0.2 -63,-2.1 -0.997 20.4 167.2-117.4 125.8 18.4 2.6 5.4 82 103 A C E -BF 16 111A 0 29,-2.5 29,-2.7 -2,-0.5 2,-0.4 -0.889 31.9-135.4-131.0 164.5 21.8 1.8 6.9 83 104 A H E -BF 15 110A 42 -68,-2.8 -68,-2.8 -2,-0.3 2,-0.4 -0.990 22.0-165.4-113.5 132.3 24.6 -0.7 6.7 84 105 A I E -BF 14 109A 0 25,-2.8 25,-2.4 -2,-0.4 2,-0.5 -0.973 10.2-155.9-121.0 129.7 26.1 -2.0 9.9 85 106 A T E -BF 13 108A 47 -72,-2.6 -72,-2.3 -2,-0.4 2,-0.5 -0.935 19.1-163.6-104.1 123.2 29.4 -3.9 10.2 86 107 A C E -BF 12 107A 0 21,-3.5 21,-2.5 -2,-0.5 -74,-0.2 -0.936 12.4-140.8-121.6 114.8 29.4 -5.9 13.4 87 108 A K > - 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