==== 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 08-MAY-12 4F2Z . COMPND 2 MOLECULE: RETINOID ISOMEROHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR P.D.KISER,W.SHI,K.PALCZEWSKI . 1032 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38612.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 687 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 362 35.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 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 . 132 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 6 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 11 10 4 8 8 8 2 8 0 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 . 2 2 6 4 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 3 A S 0 0 160 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -75.1 11.8 -25.1 -55.1 2 4 A Q - 0 0 58 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.830 360.0-107.4-148.8 171.7 12.5 -21.4 -54.7 3 5 A V - 0 0 57 -2,-0.2 2,-0.1 2,-0.0 0, 0.0 -0.997 47.4-155.8-111.5 125.8 13.1 -17.9 -56.2 4 6 A E - 0 0 76 -2,-0.5 3,-0.1 1,-0.0 420,-0.0 -0.480 23.9-160.8-107.5 169.8 16.8 -17.1 -55.5 5 7 A H > + 0 0 1 -2,-0.1 3,-1.3 1,-0.1 329,-0.4 -0.317 28.0 150.9-146.3 54.0 19.0 -13.9 -55.2 6 8 A P T 3 + 0 0 106 0, 0.0 328,-0.3 0, 0.0 329,-0.1 0.891 69.8 69.3 -54.7 -39.4 22.6 -14.8 -55.7 7 9 A A T 3 S- 0 0 73 1,-0.1 471,-0.0 -3,-0.1 -2,-0.0 0.748 94.0-140.5 -53.0 -29.6 23.3 -11.2 -57.1 8 10 A G X + 0 0 5 -3,-1.3 3,-2.1 1,-0.1 4,-0.2 0.672 49.4 148.1 75.6 18.4 22.7 -9.7 -53.7 9 11 A G G > + 0 0 12 1,-0.3 3,-1.8 2,-0.2 4,-0.1 0.767 59.8 72.6 -54.8 -30.4 20.9 -6.7 -55.1 10 12 A Y G > S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.699 78.1 77.6 -60.5 -21.3 18.7 -6.5 -52.0 11 13 A K G X S+ 0 0 85 -3,-2.1 3,-1.3 1,-0.3 -1,-0.3 0.778 83.1 66.1 -56.6 -28.1 21.8 -5.2 -50.1 12 14 A K G X S+ 0 0 74 -3,-1.8 3,-0.8 1,-0.3 -1,-0.3 0.516 83.5 72.9 -76.6 -6.9 21.1 -1.8 -51.8 13 15 A L G < S+ 0 0 4 -3,-1.9 495,-3.2 1,-0.2 -1,-0.3 0.675 102.9 43.4 -68.3 -21.6 17.8 -1.5 -49.8 14 16 A F G < S+ 0 0 8 -3,-1.3 2,-0.4 -4,-0.3 -1,-0.2 -0.083 89.7 111.7-120.2 30.4 20.0 -0.8 -46.8 15 17 A E S < S- 0 0 92 -3,-0.8 -3,-0.0 32,-0.0 493,-0.0 -0.925 72.2-107.4-110.4 132.5 22.5 1.6 -48.4 16 18 A T - 0 0 36 -2,-0.4 2,-0.2 490,-0.1 31,-0.2 -0.206 38.7-172.2 -57.1 137.9 22.7 5.3 -47.4 17 19 A V - 0 0 14 29,-1.9 2,-0.4 487,-0.0 489,-0.1 -0.754 19.7-115.9-123.2 173.9 21.3 7.8 -49.9 18 20 A E - 0 0 166 -2,-0.2 29,-0.0 1,-0.1 61,-0.0 -0.887 26.9-118.6-114.0 145.1 21.3 11.6 -50.2 19 21 A E - 0 0 59 -2,-0.4 2,-0.3 1,-0.1 61,-0.2 -0.062 30.1-111.9 -70.4 176.1 18.2 13.9 -50.2 20 22 A L - 0 0 21 59,-2.5 -1,-0.1 1,-0.1 58,-0.0 -0.815 1.5-142.3-114.7 154.7 17.2 16.2 -53.1 21 23 A S S S- 0 0 119 1,-0.3 -1,-0.1 -2,-0.3 57,-0.0 0.823 88.5 -10.1 -80.4 -35.0 17.1 19.9 -53.4 22 24 A S S S- 0 0 75 55,-0.1 -1,-0.3 57,-0.0 55,-0.1 -0.971 95.8 -61.0-157.6 166.1 13.9 19.8 -55.5 23 25 A P - 0 0 64 0, 0.0 2,-0.4 0, 0.0 55,-0.2 -0.088 46.1-138.0 -57.2 151.8 11.7 17.2 -57.2 24 26 A L E -A 77 0A 50 53,-3.1 53,-2.7 -4,-0.0 2,-0.3 -0.930 17.9-116.8-117.4 129.6 13.1 15.0 -60.0 25 27 A T E -A 76 0A 120 -2,-0.4 2,-0.3 51,-0.2 51,-0.2 -0.495 32.4-141.1 -70.9 129.2 11.2 14.2 -63.2 26 28 A A - 0 0 8 49,-2.4 2,-0.9 -2,-0.3 49,-0.4 -0.739 12.3-118.5-101.5 138.8 10.6 10.5 -63.5 27 29 A H E -E 501 0B 113 474,-2.3 474,-2.7 -2,-0.3 2,-0.2 -0.628 32.3-150.5 -81.4 104.1 10.8 8.5 -66.7 28 30 A V E -E 500 0B 47 -2,-0.9 2,-0.4 472,-0.2 472,-0.2 -0.528 15.3-175.0 -78.6 136.0 7.4 7.0 -67.3 29 31 A T E +E 499 0B 70 470,-2.5 470,-2.2 -2,-0.2 2,-0.2 -0.985 61.3 8.9-130.5 123.2 7.0 3.7 -69.2 30 32 A G E S-E 498 0B 56 -2,-0.4 2,-0.6 468,-0.2 468,-0.2 -0.643 108.3 -48.4 101.3-168.0 3.4 2.5 -69.9 31 33 A R - 0 0 197 466,-1.3 42,-0.0 -2,-0.2 -2,-0.0 -0.911 43.0-152.6-109.5 109.9 0.3 4.6 -69.4 32 34 A I - 0 0 8 -2,-0.6 -2,-0.1 41,-0.2 2,-0.1 -0.711 37.7-111.8 -71.8 121.9 -0.1 6.3 -66.0 33 35 A P > - 0 0 17 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.347 15.1-133.9 -65.0 138.4 -3.9 6.6 -65.7 34 36 A L T 3 S+ 0 0 128 1,-0.3 38,-0.3 -2,-0.1 -2,-0.0 0.672 102.3 61.9 -69.8 -19.9 -5.2 10.1 -65.9 35 37 A W T 3 S+ 0 0 69 1,-0.1 2,-1.6 36,-0.1 -1,-0.3 0.667 80.4 93.7 -75.6 -18.0 -7.6 9.7 -62.9 36 38 A L < + 0 0 1 -3,-1.4 2,-0.5 36,-0.1 -1,-0.1 -0.613 49.4 152.2 -78.8 87.2 -4.5 9.1 -60.7 37 39 A T + 0 0 51 -2,-1.6 480,-1.4 34,-0.1 2,-0.3 -0.908 34.0 73.7-121.6 100.4 -3.9 12.6 -59.4 38 40 A G E S-BC 70 516A 3 32,-1.0 32,-3.1 -2,-0.5 2,-0.3 -0.888 73.4 -82.8-174.6-152.4 -2.2 12.7 -56.0 39 41 A S E -BC 69 515A 8 476,-1.5 476,-2.1 -2,-0.3 2,-0.9 -0.921 21.7-145.7-151.2 106.6 0.9 12.2 -54.0 40 42 A L E -BC 68 514A 2 28,-3.1 28,-2.4 -2,-0.3 2,-0.5 -0.684 23.2-171.5 -82.7 106.4 2.4 8.9 -52.7 41 43 A L E +BC 67 513A 0 472,-2.2 472,-2.7 -2,-0.9 2,-0.3 -0.873 10.5 167.2-104.2 125.5 4.1 9.7 -49.4 42 44 A R E -BC 66 512A 4 24,-2.0 24,-3.0 -2,-0.5 2,-0.3 -0.975 21.3-144.4-140.6 150.7 6.2 7.0 -47.7 43 45 A C E +BC 65 511A 0 468,-2.5 467,-2.5 -2,-0.3 468,-0.7 -0.873 31.0 131.8-118.0 149.7 8.7 6.7 -44.8 44 46 A G E -B 64 0A 0 20,-1.1 20,-3.1 -2,-0.3 465,-0.2 -0.953 54.8 -71.5-175.0 172.0 11.8 4.7 -44.3 45 47 A P E +B 63 0A 0 0, 0.0 18,-0.2 0, 0.0 17,-0.2 -0.449 38.4 167.2 -76.5 154.0 15.5 4.9 -43.3 46 48 A G + 0 0 0 16,-1.7 -29,-1.9 1,-0.2 2,-0.3 0.302 64.1 59.1-146.5 3.6 18.1 6.6 -45.5 47 49 A L + 0 0 23 15,-0.4 15,-1.9 -31,-0.2 -1,-0.2 -0.834 50.1 172.0-137.9 99.1 21.2 7.1 -43.3 48 50 A F + 0 0 1 -2,-0.3 7,-2.6 13,-0.2 2,-0.3 0.274 67.5 30.8 -94.0 9.6 22.6 3.9 -41.9 49 51 A E E -J 54 0C 78 5,-0.3 2,-0.4 13,-0.0 3,-0.1 -0.985 57.6-147.6-157.9 155.9 25.7 5.5 -40.5 50 52 A V E > S-J 53 0C 10 3,-2.9 3,-1.5 -2,-0.3 2,-0.5 -0.881 75.8 -59.1-124.5 97.4 27.1 8.7 -39.1 51 53 A G T 3 S- 0 0 73 -2,-0.4 44,-0.1 1,-0.3 43,-0.0 -0.558 120.9 -15.2 68.3-116.4 30.7 8.8 -40.1 52 54 A S T 3 S+ 0 0 117 -2,-0.5 -1,-0.3 -3,-0.1 43,-0.1 0.717 118.5 91.1 -89.9 -27.3 32.4 5.7 -38.7 53 55 A E E < -J 50 0C 49 -3,-1.5 -3,-2.9 -4,-0.0 2,-0.2 -0.615 67.3-154.4 -73.4 120.1 29.6 4.8 -36.2 54 56 A P E -J 49 0C 53 0, 0.0 2,-0.4 0, 0.0 -5,-0.3 -0.604 15.6-122.6 -93.0 155.9 27.1 2.5 -37.9 55 57 A F - 0 0 2 -7,-2.6 48,-0.1 -2,-0.2 6,-0.1 -0.850 23.6-162.0 -88.6 135.6 23.4 1.9 -37.2 56 58 A Y + 0 0 127 -2,-0.4 271,-2.6 271,-0.1 272,-0.6 0.818 58.8 58.1 -93.5 -36.0 22.9 -1.8 -36.4 57 59 A H B >> S-K 326 0D 0 269,-0.3 3,-1.8 270,-0.1 4,-0.6 -0.688 80.2-117.3-105.3 154.6 19.2 -2.5 -36.8 58 60 A L T 34 S+ 0 0 13 267,-2.1 3,-0.3 1,-0.3 268,-0.1 0.820 115.2 50.1 -47.9 -36.8 16.8 -2.2 -39.7 59 61 A F T 34 S+ 0 0 41 266,-0.2 42,-0.5 1,-0.2 -1,-0.3 0.019 96.1 71.9 -99.2 26.1 14.7 0.4 -37.6 60 62 A D T <4 + 0 0 0 -3,-1.8 -1,-0.2 40,-0.1 -2,-0.1 0.748 65.0 106.4-107.1 -35.7 17.6 2.7 -36.6 61 63 A G S < S- 0 0 0 -4,-0.6 -13,-0.2 -3,-0.3 3,-0.1 -0.101 85.1 -86.0 -56.8 146.7 18.6 4.5 -39.7 62 64 A Q - 0 0 2 -15,-1.9 -16,-1.7 -17,-0.2 -15,-0.4 -0.297 52.1-100.9 -68.6 129.7 17.6 8.2 -40.0 63 65 A A E -B 45 0A 0 -18,-0.2 19,-2.0 -3,-0.1 2,-0.4 -0.098 36.1-168.4 -56.9 137.2 14.1 8.8 -41.3 64 66 A L E -BD 44 81A 0 -20,-3.1 -20,-1.1 17,-0.2 2,-0.6 -0.994 12.3-145.2-131.9 121.2 13.7 9.8 -44.9 65 67 A L E -BD 43 80A 1 15,-2.6 15,-1.8 -2,-0.4 2,-0.3 -0.810 18.2-163.6 -94.0 116.7 10.4 11.1 -46.3 66 68 A H E -BD 42 79A 4 -24,-3.0 -24,-2.0 -2,-0.6 2,-0.4 -0.766 5.6-169.0-100.7 142.2 9.7 10.1 -50.0 67 69 A K E -BD 41 78A 4 11,-3.3 11,-2.0 -2,-0.3 2,-0.6 -0.929 10.5-174.1-136.5 114.2 7.2 11.6 -52.3 68 70 A F E -BD 40 77A 2 -28,-2.4 -28,-3.1 -2,-0.4 2,-0.3 -0.930 21.2-157.3 -96.1 122.3 6.1 10.3 -55.7 69 71 A D E -BD 39 76A 53 7,-3.1 7,-1.6 -2,-0.6 2,-0.4 -0.798 8.1-165.1-101.6 143.8 3.7 12.9 -57.3 70 72 A F E +BD 38 75A 6 -32,-3.1 -32,-1.0 -2,-0.3 2,-0.3 -0.996 15.7 161.4-128.8 125.7 1.2 12.2 -60.0 71 73 A K E > - D 0 74A 151 3,-1.9 3,-1.4 -2,-0.4 2,-0.2 -0.942 67.7 -43.4-147.7 125.8 -0.5 14.9 -62.1 72 74 A E T 3 S- 0 0 122 -2,-0.3 -36,-0.1 -38,-0.3 0, 0.0 -0.412 124.7 -26.7 50.0-118.8 -2.3 14.2 -65.4 73 75 A G T 3 S+ 0 0 23 -2,-0.2 -1,-0.3 -3,-0.1 -41,-0.2 0.797 118.1 92.1 -85.5 -29.7 0.2 11.9 -67.1 74 76 A H E < - D 0 71A 142 -3,-1.4 -3,-1.9 -4,-0.1 2,-0.4 -0.141 52.4-157.9 -84.1 162.5 3.5 12.9 -65.4 75 77 A V E - D 0 70A 1 -49,-0.4 -49,-2.4 -5,-0.2 2,-0.3 -0.998 5.8-172.6-136.4 137.5 5.4 11.7 -62.3 76 78 A T E -AD 25 69A 38 -7,-1.6 -7,-3.1 -2,-0.4 2,-0.4 -0.969 10.6-149.1-129.5 149.5 8.0 13.4 -60.1 77 79 A Y E +AD 24 68A 0 -53,-2.7 -53,-3.1 -2,-0.3 2,-0.3 -0.949 20.2 167.1-118.7 136.5 10.1 12.0 -57.2 78 80 A H E + D 0 67A 10 -11,-2.0 -11,-3.3 -2,-0.4 2,-0.3 -0.988 6.7 178.9-146.9 150.1 11.3 13.9 -54.1 79 81 A R E + D 0 66A 6 -2,-0.3 -59,-2.5 -13,-0.2 2,-0.3 -0.965 2.9 175.5-157.1 139.2 12.9 13.0 -50.8 80 82 A R E - D 0 65A 60 -15,-1.8 -15,-2.6 -2,-0.3 2,-0.2 -0.981 35.4-110.5-140.5 144.7 14.1 14.9 -47.8 81 83 A F E - 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0 0 20 4,-0.4 -15,-0.1 -2,-0.3 -17,-0.1 -0.184 58.8 -85.5-111.8-143.5 8.0 6.0 -35.2 132 148 A E S S+ 0 0 40 -2,-0.2 29,-1.1 -17,-0.1 4,-0.1 0.306 96.3 89.1-112.8 10.4 6.5 4.1 -32.2 133 149 A T B S-O 160 0F 17 2,-0.3 28,-0.4 27,-0.2 27,-0.2 -0.084 95.2 -88.4 -92.1-167.9 7.5 6.5 -29.4 134 150 A N S S+ 0 0 15 25,-0.5 18,-2.7 26,-0.2 2,-0.8 0.613 103.0 85.9 -76.4 -16.9 5.8 9.5 -27.8 135 151 A F E + N 0 151E 32 -22,-0.4 -4,-0.4 16,-0.2 2,-0.4 -0.806 52.7 177.2 -97.6 103.7 7.4 11.9 -30.4 136 152 A I E - N 0 150E 4 14,-2.0 14,-3.1 -2,-0.8 2,-0.5 -0.859 22.0-139.9 -95.3 139.2 5.6 12.3 -33.7 137 153 A T E -MN 129 149E 1 -8,-1.9 -8,-3.0 -2,-0.4 2,-0.4 -0.894 8.4-136.8-106.0 122.4 7.1 14.8 -36.1 138 154 A K E -MN 128 148E 51 10,-3.0 9,-2.7 -2,-0.5 10,-1.4 -0.623 30.1-176.3 -77.4 127.6 4.8 17.2 -38.1 139 155 A V E - N 0 146E 2 -12,-2.4 -12,-0.5 -2,-0.4 7,-0.2 -0.872 31.8-111.8-127.9 156.4 5.8 17.5 -41.7 140 156 A N > - 0 0 43 5,-3.2 4,-2.0 -2,-0.3 5,-0.3 -0.791 22.2-157.5 -86.2 114.3 4.8 19.4 -44.9 141 157 A P T 4 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 374,-0.1 0.701 88.5 45.7 -66.8 -18.5 3.3 16.9 -47.4 142 158 A E T 4 S+ 0 0 140 1,-0.1 -2,-0.0 3,-0.1 -75,-0.0 0.892 128.0 21.1 -91.6 -44.4 4.0 19.1 -50.4 143 159 A T T 4 S- 0 0 59 2,-0.1 3,-0.1 -121,-0.0 -1,-0.1 0.498 95.0-129.1-100.3 -8.7 7.6 20.3 -49.8 144 160 A L < + 0 0 3 -4,-2.0 2,-0.2 1,-0.2 -79,-0.2 0.742 54.9 153.0 60.9 25.8 8.6 17.5 -47.4 145 161 A E - 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