==== 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 4F30 . COMPND 2 MOLECULE: RETINOID ISOMEROHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR P.D.KISER,K.PALCZEWSKI . 521 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 64.9 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 . 184 35.3 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 . 62 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 6.1 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 2 0 0 1 0 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 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 . 4 4 3 6 4 2 3 2 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 3 A S 0 0 50 0, 0.0 401,-0.1 0, 0.0 428,-0.0 0.000 360.0 360.0 360.0 132.7 -7.7 70.8 5.9 2 4 A Q + 0 0 182 1,-0.1 2,-0.4 2,-0.0 0, 0.0 0.923 360.0 53.8 -59.3 -45.4 -7.6 74.6 6.7 3 5 A V S S- 0 0 37 2,-0.0 2,-0.2 449,-0.0 -1,-0.1 -0.753 71.1-164.5-100.8 136.7 -6.3 75.1 3.2 4 6 A E - 0 0 81 -2,-0.4 3,-0.1 3,-0.0 -2,-0.0 -0.700 11.4-160.1-110.2 166.5 -7.9 73.9 -0.0 5 7 A H > + 0 0 3 -2,-0.2 3,-1.8 447,-0.1 334,-0.3 -0.345 27.0 154.8-142.6 56.2 -6.5 73.7 -3.6 6 8 A P T 3 + 0 0 108 0, 0.0 333,-0.2 0, 0.0 334,-0.1 0.797 69.5 68.1 -60.4 -28.5 -9.4 73.5 -5.9 7 9 A A T 3 S- 0 0 76 1,-0.1 -2,-0.0 -3,-0.1 331,-0.0 0.760 97.5-138.7 -60.9 -27.7 -7.3 74.9 -8.8 8 10 A G X + 0 0 5 -3,-1.8 3,-1.6 2,-0.0 4,-0.2 0.784 46.2 153.9 74.8 30.0 -5.3 71.7 -8.8 9 11 A G G > + 0 0 14 1,-0.3 3,-2.3 2,-0.1 4,-0.2 0.844 59.2 75.5 -57.6 -38.2 -1.9 73.3 -9.2 10 12 A Y G > S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.604 73.6 82.9 -50.8 -18.9 -0.1 70.4 -7.6 11 13 A K G X S+ 0 0 69 -3,-1.6 3,-1.9 1,-0.3 -1,-0.3 0.860 80.7 65.3 -51.2 -38.0 -0.6 68.4 -10.8 12 14 A K G X S+ 0 0 71 -3,-2.3 3,-0.8 1,-0.3 -1,-0.3 0.612 84.1 72.2 -68.0 -13.9 2.5 70.2 -12.2 13 15 A L G < S+ 0 0 6 -3,-1.6 500,-3.0 1,-0.2 -1,-0.3 0.708 103.6 42.8 -67.4 -20.8 4.7 68.4 -9.5 14 16 A F G < S+ 0 0 12 -3,-1.9 2,-0.4 -4,-0.3 -1,-0.2 -0.384 89.6 110.9-124.5 51.3 4.2 65.2 -11.6 15 17 A E S < S- 0 0 87 -3,-0.8 -3,-0.0 32,-0.0 498,-0.0 -0.989 70.3-107.3-129.3 134.7 4.6 66.4 -15.2 16 18 A T - 0 0 37 -2,-0.4 2,-0.3 495,-0.0 31,-0.2 -0.188 37.7-176.3 -59.8 148.6 7.5 65.6 -17.4 17 19 A V - 0 0 18 29,-2.1 2,-0.1 492,-0.0 494,-0.0 -0.944 19.6-120.3-138.7 164.2 10.1 68.2 -18.2 18 20 A E - 0 0 167 -2,-0.3 2,-0.0 1,-0.2 29,-0.0 -0.453 31.2-100.9 -97.0 172.8 13.2 68.4 -20.4 19 21 A E - 0 0 53 -2,-0.1 2,-0.4 59,-0.0 61,-0.2 -0.229 27.7-117.6 -79.1 176.3 16.9 69.1 -19.5 20 22 A L - 0 0 28 59,-2.1 59,-0.2 1,-0.1 4,-0.0 -0.977 6.7-149.2-113.0 134.6 18.9 72.3 -19.8 21 23 A S S S- 0 0 119 -2,-0.4 -1,-0.1 1,-0.2 57,-0.0 0.887 86.6 -1.8 -63.5 -40.5 21.9 72.3 -22.1 22 24 A S S S- 0 0 79 -3,-0.1 -1,-0.2 55,-0.1 55,-0.1 -0.964 98.3 -70.7-148.6 160.6 23.5 74.9 -19.8 23 25 A P - 0 0 68 0, 0.0 2,-0.3 0, 0.0 55,-0.2 -0.135 41.3-135.1 -59.0 145.0 22.5 76.7 -16.6 24 26 A L E -A 77 0A 65 53,-3.3 53,-2.5 -4,-0.0 2,-0.4 -0.705 18.8-118.7 -89.5 148.8 19.8 79.4 -16.5 25 27 A T E -A 76 0A 103 -2,-0.3 2,-0.4 51,-0.2 51,-0.2 -0.769 29.5-138.0 -82.3 133.0 20.2 82.7 -14.6 26 28 A A E -A 75 0A 4 49,-2.6 49,-0.5 -2,-0.4 2,-0.4 -0.743 11.7-123.6 -91.9 139.2 17.5 83.1 -12.0 27 29 A H E -E 506 0B 110 479,-1.8 479,-3.5 -2,-0.4 2,-0.5 -0.686 31.6-137.4 -77.7 136.0 15.8 86.4 -11.4 28 30 A V E -E 505 0B 50 -2,-0.4 2,-0.4 477,-0.2 477,-0.2 -0.862 19.1-170.4-109.5 124.2 16.3 87.5 -7.8 29 31 A T E -E 504 0B 56 475,-2.7 475,-2.4 -2,-0.5 2,-0.1 -0.914 65.5 -1.0-103.7 138.1 13.6 89.0 -5.5 30 32 A G E S-E 503 0B 56 -2,-0.4 2,-0.5 473,-0.2 473,-0.2 -0.363 103.9 -52.7 79.9-164.3 14.9 90.3 -2.2 31 33 A R - 0 0 153 471,-1.3 -2,-0.0 -2,-0.1 3,-0.0 -0.960 42.9-142.3-117.5 127.1 18.5 90.2 -1.0 32 34 A I - 0 0 27 -2,-0.5 2,-0.1 41,-0.1 -2,-0.0 -0.658 33.4-107.3 -79.1 136.3 20.6 87.0 -0.9 33 35 A P - 0 0 12 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.421 20.3-135.3 -63.4 143.1 23.0 86.8 2.1 34 36 A L S S+ 0 0 143 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 0.776 102.4 59.0 -71.8 -27.2 26.6 87.4 1.0 35 37 A W S S+ 0 0 65 1,-0.1 2,-1.4 2,-0.0 -1,-0.2 0.767 84.2 88.5 -72.4 -26.3 27.8 84.5 3.2 36 38 A L + 0 0 4 -3,-0.5 2,-0.4 1,-0.1 -1,-0.1 -0.609 48.3 144.5 -78.6 92.1 25.6 82.1 1.3 37 39 A T + 0 0 70 -2,-1.4 2,-0.2 34,-0.1 485,-0.2 -0.804 36.4 84.1-131.3 88.7 27.9 81.0 -1.6 38 40 A G S S- 0 0 0 -2,-0.4 32,-3.3 483,-0.2 2,-0.4 -0.760 71.5 -78.5-159.5-157.9 27.4 77.4 -2.5 39 41 A S E -BC 69 520A 1 481,-2.0 481,-3.2 30,-0.2 2,-0.7 -0.991 20.0-153.4-132.6 124.3 25.3 74.8 -4.4 40 42 A L E -BC 68 519A 2 28,-3.2 28,-2.4 -2,-0.4 2,-0.5 -0.890 20.5-170.9 -92.3 115.2 21.9 73.3 -3.5 41 43 A L E +BC 67 518A 0 477,-3.0 477,-1.1 -2,-0.7 2,-0.3 -0.940 9.1 170.8-111.8 125.6 21.7 69.8 -5.1 42 44 A R E -BC 66 517A 5 24,-1.7 24,-3.1 -2,-0.5 2,-0.3 -0.937 16.8-150.1-132.9 154.1 18.4 67.9 -5.1 43 45 A C E +B 65 0A 0 473,-2.3 472,-2.6 -2,-0.3 473,-0.4 -0.828 29.3 126.0-120.6 161.6 17.0 64.8 -6.7 44 46 A G E -B 64 0A 0 20,-0.7 20,-2.7 -2,-0.3 470,-0.2 -0.934 58.2 -57.1 169.5 172.8 13.6 63.6 -7.9 45 47 A P E +B 63 0A 0 0, 0.0 18,-0.2 0, 0.0 17,-0.1 -0.379 41.9 166.6 -71.8 153.8 11.7 62.2 -10.9 46 48 A G E + 0 0 0 16,-1.8 -29,-2.1 1,-0.3 2,-0.4 0.471 64.3 51.7-142.4 -20.3 11.6 64.2 -14.1 47 49 A L E +B 62 0A 24 15,-0.7 15,-1.9 -31,-0.2 -1,-0.3 -0.982 54.3 178.4-125.4 116.1 10.2 61.9 -16.8 48 50 A F + 0 0 0 -2,-0.4 7,-2.1 13,-0.2 2,-0.3 0.281 67.2 26.2-104.7 9.5 6.9 60.2 -15.9 49 51 A E E -J 54 0C 67 5,-0.3 2,-0.8 13,-0.0 -1,-0.2 -0.915 61.8-138.3-166.9 143.6 6.4 58.3 -19.2 50 52 A V E > S-J 53 0C 7 3,-3.1 3,-1.5 -2,-0.3 2,-0.6 -0.796 76.7 -61.1-105.2 88.6 8.4 56.8 -22.0 51 53 A G T 3 S- 0 0 72 -2,-0.8 44,-0.1 1,-0.2 43,-0.0 -0.658 120.9 -15.5 73.4-116.2 6.3 57.7 -25.1 52 54 A S T 3 S+ 0 0 123 -2,-0.6 -1,-0.2 2,-0.1 43,-0.1 0.300 118.9 95.1-102.3 6.0 2.9 56.1 -24.6 53 55 A E E < -J 50 0C 77 -3,-1.5 -3,-3.1 0, 0.0 2,-0.2 -0.893 67.7-155.5 -94.8 111.6 4.2 53.7 -21.8 54 56 A P E -J 49 0C 53 0, 0.0 2,-0.4 0, 0.0 -5,-0.3 -0.559 14.7-129.1 -90.1 150.6 3.5 55.5 -18.5 55 57 A F - 0 0 4 -7,-2.1 48,-0.1 -2,-0.2 6,-0.1 -0.815 20.5-162.9 -87.7 140.0 5.1 55.2 -15.1 56 58 A Y + 0 0 130 -2,-0.4 276,-2.6 276,-0.1 277,-0.6 0.859 58.3 58.3 -97.4 -41.6 2.5 54.5 -12.4 57 59 A H B >> S-K 331 0D 0 274,-0.3 3,-1.4 275,-0.1 4,-0.5 -0.542 79.6-117.5 -97.9 160.5 4.0 55.3 -9.0 58 60 A L T 34 S+ 0 0 16 272,-2.0 3,-0.5 1,-0.3 273,-0.1 0.827 114.7 50.5 -59.0 -35.7 5.6 58.4 -7.6 59 61 A F T 34 S+ 0 0 38 1,-0.2 42,-0.6 271,-0.2 -1,-0.3 0.020 95.4 73.7 -96.7 25.9 9.0 56.6 -7.2 60 62 A D T <4 + 0 0 0 -3,-1.4 -1,-0.2 40,-0.2 -2,-0.2 0.672 66.4 108.9-104.4 -28.5 9.1 55.3 -10.8 61 63 A G S < S- 0 0 0 -4,-0.5 -13,-0.2 -3,-0.5 2,-0.1 -0.159 81.3 -95.1 -56.9 145.4 9.9 58.5 -12.6 62 64 A Q E -B 47 0A 2 -15,-1.9 -16,-1.8 1,-0.1 -15,-0.7 -0.379 49.3 -95.0 -72.5 138.9 13.4 58.8 -14.1 63 65 A A E -B 45 0A 2 -18,-0.2 19,-1.4 -17,-0.1 2,-0.4 -0.178 38.7-170.6 -63.6 137.8 16.0 60.6 -11.9 64 66 A L E -BD 44 81A 0 -20,-2.7 -20,-0.7 17,-0.2 2,-0.5 -0.997 11.9-146.5-132.9 124.1 16.6 64.3 -12.5 65 67 A L E -BD 43 80A 2 15,-2.6 15,-1.5 -2,-0.4 2,-0.3 -0.823 16.4-164.7-100.3 125.4 19.4 66.1 -10.8 66 68 A H E -BD 42 79A 6 -24,-3.1 -24,-1.7 -2,-0.5 2,-0.4 -0.809 6.1-171.3-112.8 150.1 18.8 69.8 -9.8 67 69 A K E -BD 41 78A 14 11,-1.9 11,-1.6 -2,-0.3 2,-0.6 -0.951 13.8-173.1-146.4 120.3 21.3 72.5 -8.9 68 70 A F E -BD 40 77A 2 -28,-2.4 -28,-3.2 -2,-0.4 2,-0.5 -0.965 21.9-166.7-106.0 113.6 20.8 76.0 -7.5 69 71 A D E -BD 39 76A 25 7,-2.1 7,-2.0 -2,-0.6 2,-0.8 -0.897 17.2-164.2-108.4 126.3 24.3 77.6 -7.5 70 72 A F E + D 0 75A 5 -32,-3.3 2,-0.5 -2,-0.5 5,-0.2 -0.817 33.0 150.6-104.9 85.7 25.0 80.9 -5.6 71 73 A K - 0 0 129 -2,-0.8 3,-0.5 3,-0.7 -2,-0.1 -0.988 61.9 -25.0-123.0 125.9 28.3 81.8 -7.2 72 74 A E S S- 0 0 148 -2,-0.5 0, 0.0 1,-0.2 0, 0.0 -0.372 117.9 -33.3 64.0-151.6 29.3 85.5 -7.4 73 75 A G S S+ 0 0 78 -2,-0.1 -1,-0.2 -3,-0.0 -41,-0.1 0.860 121.6 61.6 -69.8 -36.6 26.4 88.0 -7.5 74 76 A H S S- 0 0 94 -3,-0.5 -3,-0.7 1,-0.0 2,-0.4 -0.279 71.2-130.0 -92.6 169.8 23.8 85.9 -9.3 75 77 A V E -AD 26 70A 1 -49,-0.5 -49,-2.6 -5,-0.2 2,-0.3 -0.926 24.0-163.9-113.1 145.3 22.0 82.6 -8.8 76 78 A T E -AD 25 69A 20 -7,-2.0 -7,-2.1 -2,-0.4 2,-0.4 -0.944 7.7-153.2-129.8 153.6 21.8 79.9 -11.5 77 79 A Y E +AD 24 68A 0 -53,-2.5 -53,-3.3 -2,-0.3 2,-0.3 -0.977 18.5 166.2-126.0 139.1 19.6 76.8 -12.1 78 80 A H E - D 0 67A 17 -11,-1.6 -11,-1.9 -2,-0.4 2,-0.3 -0.983 8.9-175.2-147.4 153.9 20.6 73.7 -14.0 79 81 A R E + D 0 66A 9 -2,-0.3 -59,-2.1 -13,-0.2 2,-0.3 -0.951 4.0 175.4-156.2 136.2 19.2 70.2 -14.4 80 82 A R E - D 0 65A 57 -15,-1.5 -15,-2.6 -2,-0.3 2,-0.2 -0.989 33.6-115.9-135.9 142.5 20.3 67.0 -16.2 81 83 A F E - 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