==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE, HYDROLASE 09-MAY-12 4F3A . COMPND 2 MOLECULE: RETINOID ISOMEROHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR P.D.KISER,K.PALCZEWSKI . 515 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 188 36.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 8 1.6 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 . 60 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 1 0 1 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 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 4 2 5 3 4 2 3 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 . 1 1 3 2 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 4 A Q 0 0 161 0, 0.0 2,-0.3 0, 0.0 396,-0.0 0.000 360.0 360.0 360.0 -68.2 -7.5 73.0 5.9 2 5 A V - 0 0 41 2,-0.0 2,-0.4 444,-0.0 426,-0.0 -0.639 360.0-141.7 -76.6 149.8 -6.0 75.0 3.1 3 6 A E - 0 0 88 -2,-0.3 3,-0.1 3,-0.0 330,-0.0 -0.930 21.4-168.2-123.9 146.0 -7.6 74.0 -0.2 4 7 A H > + 0 0 1 -2,-0.4 3,-1.4 1,-0.1 329,-0.3 -0.583 25.4 152.7-129.0 65.9 -6.2 73.6 -3.6 5 8 A P T 3 + 0 0 98 0, 0.0 328,-0.3 0, 0.0 -1,-0.1 0.784 66.9 70.8 -70.6 -25.7 -9.2 73.3 -6.0 6 9 A A T 3 S- 0 0 79 -3,-0.1 -2,-0.0 1,-0.1 471,-0.0 0.577 98.7-135.5 -64.4 -11.5 -7.2 74.7 -8.9 7 10 A G X + 0 0 4 -3,-1.4 3,-2.2 1,-0.1 4,-0.2 0.630 51.5 149.5 69.3 15.5 -5.2 71.4 -9.0 8 11 A G G > + 0 0 14 1,-0.3 3,-2.1 2,-0.2 4,-0.2 0.755 57.0 76.4 -56.0 -29.6 -1.8 73.2 -9.4 9 12 A Y G > S+ 0 0 1 1,-0.3 3,-1.2 -5,-0.2 -1,-0.3 0.576 74.8 80.4 -57.6 -10.0 0.0 70.4 -7.5 10 13 A K G X S+ 0 0 67 -3,-2.2 3,-1.5 1,-0.2 -1,-0.3 0.748 78.6 70.3 -70.4 -20.3 -0.3 68.2 -10.8 11 14 A K G X S+ 0 0 74 -3,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.673 83.3 69.2 -68.2 -20.2 2.7 70.2 -12.1 12 15 A L G < S+ 0 0 6 -3,-1.2 495,-2.7 1,-0.2 -1,-0.3 0.651 106.4 40.5 -68.3 -14.7 4.9 68.3 -9.5 13 16 A F G < S+ 0 0 12 -3,-1.5 2,-0.4 493,-0.2 -1,-0.2 0.094 88.7 109.2-124.7 21.0 4.3 65.2 -11.6 14 17 A E S < S- 0 0 98 -3,-0.9 493,-0.0 1,-0.1 -3,-0.0 -0.826 73.8-106.6-101.2 136.3 4.5 66.6 -15.2 15 18 A T - 0 0 41 -2,-0.4 2,-0.3 491,-0.1 31,-0.2 -0.209 37.5-170.4 -57.6 145.8 7.5 65.6 -17.3 16 19 A V - 0 0 16 29,-2.5 2,-0.3 487,-0.0 489,-0.1 -0.874 17.9-121.0-128.6 171.8 10.2 68.2 -18.0 17 20 A E - 0 0 161 -2,-0.3 2,-0.1 1,-0.1 29,-0.0 -0.798 29.3-111.5-108.0 153.3 13.3 68.4 -20.3 18 21 A E - 0 0 45 -2,-0.3 2,-0.2 1,-0.1 61,-0.2 -0.321 30.1-117.1 -76.7 164.5 16.8 68.9 -19.1 19 22 A L - 0 0 29 59,-2.1 -1,-0.1 1,-0.1 58,-0.0 -0.666 4.4-139.4 -97.2 159.2 18.8 72.1 -19.9 20 23 A S S S- 0 0 118 1,-0.3 -1,-0.1 -2,-0.2 57,-0.0 0.768 86.7 -9.2 -82.2 -30.8 21.9 72.4 -22.0 21 24 A S S S- 0 0 77 55,-0.1 -1,-0.3 57,-0.0 55,-0.1 -0.958 97.3 -59.4-161.7 164.0 23.5 74.8 -19.6 22 25 A P - 0 0 60 0, 0.0 55,-0.2 0, 0.0 2,-0.1 -0.254 41.9-142.4 -60.9 128.8 22.5 76.9 -16.5 23 26 A L E -A 76 0A 69 53,-2.5 53,-2.0 -2,-0.0 2,-0.6 -0.457 21.5-119.8 -73.9 159.8 19.7 79.5 -16.6 24 27 A T E -A 75 0A 98 51,-0.2 51,-0.3 -2,-0.1 2,-0.2 -0.931 27.7-136.2-108.8 123.1 20.1 82.6 -14.7 25 28 A A - 0 0 8 49,-2.6 2,-0.7 -2,-0.6 49,-0.5 -0.468 13.2-120.1 -80.5 146.4 17.4 83.1 -12.1 26 29 A H E -E 500 0B 113 474,-1.9 474,-3.3 -2,-0.2 2,-0.3 -0.803 35.8-143.8 -85.9 119.8 15.7 86.4 -11.5 27 30 A V E -E 499 0B 51 -2,-0.7 2,-0.3 472,-0.2 472,-0.2 -0.655 16.1-167.9 -95.6 138.3 16.4 87.3 -8.0 28 31 A T E -E 498 0B 60 470,-3.1 470,-1.7 -2,-0.3 468,-0.0 -0.877 59.8 -4.8-117.9 151.9 14.1 89.1 -5.5 29 32 A G E S-E 497 0B 64 -2,-0.3 2,-0.5 468,-0.2 468,-0.2 -0.321 107.7 -42.7 61.9-147.9 15.1 90.5 -2.2 30 33 A R - 0 0 167 466,-1.7 -1,-0.1 -2,-0.0 3,-0.0 -0.935 41.9-147.4-127.2 113.4 18.7 90.0 -1.0 31 34 A I - 0 0 33 -2,-0.5 2,-0.1 1,-0.1 -2,-0.0 -0.563 39.4-108.5 -68.1 129.9 20.7 86.7 -1.2 32 35 A P > - 0 0 18 0, 0.0 3,-1.7 0, 0.0 40,-0.1 -0.395 19.6-130.2 -63.6 141.6 23.0 86.7 1.9 33 36 A L T 3 S+ 0 0 139 1,-0.3 39,-0.1 -2,-0.1 38,-0.1 0.777 105.6 58.0 -64.1 -28.4 26.7 87.2 0.9 34 37 A W T 3 S+ 0 0 70 1,-0.1 2,-1.4 2,-0.0 -1,-0.3 0.544 81.5 94.8 -81.5 -7.5 27.8 84.2 2.9 35 38 A L < + 0 0 4 -3,-1.7 2,-0.4 480,-0.1 -1,-0.1 -0.702 46.6 142.9 -84.5 90.5 25.6 81.9 0.9 36 39 A T + 0 0 63 -2,-1.4 480,-1.3 35,-0.1 2,-0.3 -0.968 38.4 67.8-132.0 113.4 28.0 80.8 -1.8 37 40 A G E S-BC 69 515A 3 32,-0.5 32,-2.8 -2,-0.4 2,-0.4 -0.979 76.2 -71.1 166.2-164.4 27.5 77.2 -2.8 38 41 A S E -BC 68 514A 4 476,-2.7 476,-4.0 -2,-0.3 2,-0.7 -0.990 17.7-149.1-135.4 132.8 25.2 74.8 -4.5 39 42 A L E -BC 67 513A 3 28,-2.5 28,-1.8 -2,-0.4 2,-0.4 -0.912 23.8-170.2 -94.0 112.9 21.8 73.3 -3.6 40 43 A L E +BC 66 512A 1 472,-2.8 472,-2.2 -2,-0.7 2,-0.3 -0.906 8.3 174.3-107.2 132.8 21.7 69.8 -5.2 41 44 A R E -BC 65 511A 3 24,-1.7 24,-2.8 -2,-0.4 2,-0.4 -0.993 17.5-152.0-138.5 142.5 18.4 67.9 -5.3 42 45 A C E +BC 64 510A 0 468,-2.1 467,-2.4 -2,-0.3 468,-0.8 -0.934 31.2 132.0-113.7 145.0 17.1 64.6 -6.8 43 46 A G E -B 63 0A 0 20,-1.7 20,-2.7 -2,-0.4 2,-0.2 -0.947 58.8 -66.6-169.7 171.9 13.6 63.7 -7.9 44 47 A P E +B 62 0A 0 0, 0.0 18,-0.2 0, 0.0 17,-0.1 -0.528 41.6 170.0 -73.3 141.6 11.7 62.2 -10.9 45 48 A G E + 0 0 0 16,-2.5 -29,-2.5 1,-0.2 2,-0.4 0.532 64.7 51.8-121.1 -14.7 11.7 64.2 -14.1 46 49 A L E +B 61 0A 23 15,-0.6 15,-2.0 -31,-0.2 -1,-0.2 -0.949 52.5 176.9-135.2 110.2 10.3 61.9 -16.7 47 50 A F + 0 0 1 -2,-0.4 7,-2.6 13,-0.2 2,-0.3 0.358 68.6 29.9-104.7 4.3 7.0 60.2 -15.9 48 51 A E E -J 53 0C 66 5,-0.3 2,-0.9 13,-0.0 -1,-0.2 -0.936 61.0-143.4-157.9 139.1 6.4 58.3 -19.2 49 52 A V E > S-J 52 0C 8 3,-2.4 3,-1.7 -2,-0.3 2,-0.7 -0.856 78.4 -55.5 -99.0 93.8 8.6 56.7 -21.8 50 53 A G T 3 S- 0 0 67 -2,-0.9 44,-0.1 1,-0.3 43,-0.0 -0.635 120.9 -18.7 78.4-113.9 6.6 57.5 -25.0 51 54 A S T 3 S+ 0 0 120 -2,-0.7 -1,-0.3 2,-0.1 43,-0.1 0.297 118.7 96.4-107.8 3.9 3.1 56.1 -24.5 52 55 A E E < -J 49 0C 73 -3,-1.7 -3,-2.4 0, 0.0 2,-0.1 -0.863 67.9-152.3 -88.7 111.3 4.3 53.8 -21.7 53 56 A P E -J 48 0C 54 0, 0.0 2,-0.4 0, 0.0 -5,-0.3 -0.370 12.5-128.9 -77.6 159.9 3.5 55.6 -18.4 54 57 A F - 0 0 4 -7,-2.6 48,-0.1 1,-0.1 6,-0.1 -0.915 20.8-163.7 -95.9 138.0 5.2 55.2 -15.0 55 58 A Y + 0 0 130 -2,-0.4 271,-3.7 46,-0.1 272,-0.4 0.891 58.3 63.4 -92.0 -43.8 2.6 54.6 -12.3 56 59 A H B >> S-K 325 0D 0 269,-0.3 3,-1.7 270,-0.1 4,-0.6 -0.507 78.3-122.6 -92.6 153.6 4.3 55.3 -9.0 57 60 A L T 34 S+ 0 0 16 267,-1.8 3,-0.3 1,-0.3 -1,-0.1 0.790 114.1 52.1 -53.1 -31.0 5.7 58.4 -7.5 58 61 A F T 34 S+ 0 0 35 1,-0.2 42,-0.5 266,-0.1 -1,-0.3 0.133 97.0 70.8 -98.0 21.5 9.1 56.6 -7.1 59 62 A D T <4 + 0 0 0 -3,-1.7 -1,-0.2 40,-0.1 -2,-0.1 0.687 64.7 106.0-107.7 -34.1 9.3 55.4 -10.8 60 63 A G S < S- 0 0 0 -4,-0.6 -13,-0.2 -3,-0.3 2,-0.2 -0.185 85.1 -87.3 -54.1 149.4 9.9 58.5 -12.9 61 64 A Q E -B 46 0A 4 -15,-2.0 -16,-2.5 -17,-0.1 -15,-0.6 -0.385 52.2 -93.9 -72.6 132.2 13.5 58.8 -14.2 62 65 A A E -B 44 0A 2 -18,-0.2 19,-1.7 -2,-0.2 2,-0.4 -0.013 39.9-169.1 -47.0 131.7 16.0 60.5 -11.9 63 66 A L E -BD 43 80A 0 -20,-2.7 -20,-1.7 17,-0.2 2,-0.5 -0.996 8.6-151.3-127.7 129.7 16.5 64.2 -12.4 64 67 A L E -BD 42 79A 2 15,-2.0 15,-1.8 -2,-0.4 2,-0.3 -0.886 15.3-165.7-106.5 126.9 19.4 66.1 -10.8 65 68 A H E -BD 41 78A 6 -24,-2.8 -24,-1.7 -2,-0.5 2,-0.4 -0.846 6.9-168.5-116.8 150.6 18.9 69.8 -10.0 66 69 A K E -BD 40 77A 4 11,-2.4 11,-2.3 -2,-0.3 2,-0.5 -0.987 12.6-172.9-141.6 129.3 21.3 72.6 -9.0 67 70 A F E -BD 39 76A 2 -28,-1.8 -28,-2.5 -2,-0.4 2,-0.4 -0.990 24.8-159.8-112.7 116.9 20.8 76.1 -7.7 68 71 A D E -BD 38 75A 19 7,-2.3 7,-1.6 -2,-0.5 2,-0.7 -0.818 16.0-157.3-106.0 139.6 24.2 77.8 -7.7 69 72 A F E +BD 37 74A 8 -32,-2.8 -32,-0.5 -2,-0.4 2,-0.5 -0.789 30.9 160.3-113.3 85.6 25.1 80.9 -5.7 70 73 A K E > - D 0 73A 91 3,-1.4 3,-0.7 -2,-0.7 -34,-0.1 -0.924 61.7 -31.4-114.3 128.3 28.1 82.4 -7.5 71 74 A E T 3 S- 0 0 185 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.789 123.0 -40.5 36.4 62.1 29.4 85.9 -7.2 72 75 A G T 3 S+ 0 0 83 1,-0.1 2,-0.3 -39,-0.1 -1,-0.2 0.862 120.8 80.7 58.9 44.3 26.1 87.7 -6.5 73 76 A H E < - D 0 70A 72 -3,-0.7 -3,-1.4 -47,-0.0 2,-0.4 -0.937 65.4-130.1-164.9 164.1 23.8 85.9 -8.9 74 77 A V E - D 0 69A 1 -49,-0.5 -49,-2.6 -2,-0.3 2,-0.3 -0.950 17.2-170.3-123.7 135.8 21.9 82.6 -9.0 75 78 A T E -AD 24 68A 7 -7,-1.6 -7,-2.3 -2,-0.4 2,-0.4 -0.905 9.0-151.0-119.8 156.1 21.7 80.0 -11.7 76 79 A Y E +AD 23 67A 0 -53,-2.0 -53,-2.5 -2,-0.3 2,-0.3 -0.979 20.5 168.1-122.2 137.9 19.5 76.9 -12.1 77 80 A H E - D 0 66A 10 -11,-2.3 -11,-2.4 -2,-0.4 2,-0.3 -0.985 9.9-174.3-143.4 155.6 20.5 73.7 -14.0 78 81 A R E + D 0 65A 8 -2,-0.3 -59,-2.1 -13,-0.2 2,-0.4 -0.948 4.5 176.8-155.9 139.4 19.2 70.2 -14.4 79 82 A R E - D 0 64A 58 -15,-1.8 -15,-2.0 -2,-0.3 2,-0.1 -0.999 32.3-118.2-139.0 132.2 20.4 67.0 -16.1 80 83 A F E - 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0 0 27 -2,-0.4 2,-0.3 -5,-0.2 154,-0.1 -0.647 16.8-139.1 -81.6 133.0 6.8 46.5 -14.4 104 107 A A - 0 0 16 -2,-0.3 -8,-0.1 152,-0.2 -6,-0.1 -0.666 12.1-153.7 -90.1 149.8 8.6 46.6 -17.8 105 108 A F 0 0 141 -10,-0.5 -10,-0.1 -2,-0.3 150,-0.0 -0.989 360.0 360.0-128.4 139.6 7.7 44.2 -20.6 106 109 A P 0 0 153 0, 0.0 -1,-0.1 0, 0.0 -10,-0.0 0.637 360.0 360.0 -66.9 360.0 10.0 43.0 -23.5 107 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 108 125 A G 0 0 102 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-168.8 19.7 37.7 -14.4 109 126 A V - 0 0 72 1,-0.1 2,-1.0 0, 0.0 142,-0.0 -0.541 360.0-139.5 -72.1 132.6 17.3 40.1 -12.6 110 127 A E - 0 0 99 -2,-0.3 -12,-0.4 0, 0.0 2,-0.2 -0.788 18.1-159.7-102.5 95.4 17.9 43.7 -13.5 111 128 A V - 0 0 43 -2,-1.0 -12,-0.1 1,-0.1 2,-0.0 -0.477 27.0-101.0 -77.2 143.2 17.6 45.8 -10.4 112 129 A T - 0 0 8 -14,-0.3 22,-0.4 -2,-0.2 20,-0.1 -0.324 29.1-176.0 -72.5 144.4 16.9 49.5 -10.9 113 130 A D + 0 0 4 20,-0.1 2,-1.4 19,-0.1 -1,-0.1 -0.017 34.9 141.2-119.6 21.4 19.5 52.1 -10.6 114 131 A N - 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