==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-NOV-09 3KVC . COMPND 2 MOLECULE: RETINOID ISOMEROHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR P.D.KISER,D.T.LODOWSKI,M.GOLCZAK,K.PALCZEWSKI . 995 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36797.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 657 66.0 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 . 369 37.1 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 . 113 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 5 0 0 1 1 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 9 4 10 6 10 4 5 3 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 . 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 0 172 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-152.1 -30.4 103.3 -3.5 2 4 A Q - 0 0 66 1,-0.1 2,-0.4 406,-0.0 406,-0.0 -0.179 360.0-133.4 -53.3 125.9 -32.1 105.3 -0.7 3 5 A V - 0 0 47 2,-0.0 2,-0.3 428,-0.0 -1,-0.1 -0.692 25.4-153.8 -80.1 133.0 -29.8 106.2 2.3 4 6 A E - 0 0 83 -2,-0.4 3,-0.1 1,-0.0 315,-0.0 -0.804 20.1-167.0-113.1 151.3 -31.4 105.5 5.7 5 7 A H > + 0 0 4 -2,-0.3 3,-1.5 1,-0.1 313,-0.3 -0.384 26.4 151.4-133.7 53.2 -30.8 107.0 9.1 6 8 A P T 3 + 0 0 100 0, 0.0 312,-0.2 0, 0.0 -1,-0.1 0.777 68.0 67.5 -57.8 -29.4 -32.5 104.6 11.7 7 9 A A T 3 S- 0 0 77 -3,-0.1 -2,-0.0 1,-0.1 310,-0.0 0.735 97.7-137.6 -66.3 -22.4 -30.1 105.6 14.5 8 10 A G X + 0 0 6 -3,-1.5 3,-1.9 1,-0.1 4,-0.2 0.718 47.3 153.9 76.3 24.0 -31.7 109.1 14.5 9 11 A G G > + 0 0 12 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.730 60.6 74.8 -54.0 -26.6 -28.4 111.0 14.9 10 12 A Y G > S+ 0 0 0 1,-0.3 3,-1.5 -5,-0.2 4,-0.3 0.703 74.9 78.6 -64.7 -20.6 -29.9 114.1 13.2 11 13 A K G X S+ 0 0 75 -3,-1.9 3,-1.5 1,-0.3 -1,-0.3 0.787 81.4 68.4 -60.0 -26.9 -31.9 114.9 16.4 12 14 A K G X S+ 0 0 75 -3,-1.7 3,-1.3 1,-0.3 -1,-0.3 0.765 85.3 68.8 -63.4 -27.7 -28.6 116.4 17.8 13 15 A L G < S+ 0 0 7 -3,-1.5 479,-2.7 -4,-0.3 -1,-0.3 0.735 104.4 43.4 -56.2 -25.8 -28.9 119.2 15.2 14 16 A F G < S+ 0 0 10 -3,-1.5 2,-0.4 -4,-0.3 -1,-0.2 -0.048 90.4 107.7-116.2 29.8 -31.9 120.4 17.2 15 17 A E S < S- 0 0 88 -3,-1.3 -3,-0.0 32,-0.0 477,-0.0 -0.920 73.3-104.9-114.3 134.0 -30.7 120.1 20.8 16 18 A T - 0 0 38 -2,-0.4 2,-0.3 474,-0.1 31,-0.2 -0.132 37.8-169.6 -53.4 143.5 -29.7 123.0 23.0 17 19 A V - 0 0 15 29,-2.2 2,-0.4 471,-0.0 473,-0.0 -0.897 20.7-116.9-130.2 165.8 -26.1 123.7 23.7 18 20 A E - 0 0 169 -2,-0.3 29,-0.0 1,-0.1 61,-0.0 -0.818 30.8-118.7 -98.0 140.7 -24.1 126.0 26.0 19 21 A E - 0 0 50 -2,-0.4 2,-0.3 1,-0.1 61,-0.2 -0.215 30.2-113.5 -69.0 168.1 -21.9 128.8 24.7 20 22 A L - 0 0 36 59,-2.3 -1,-0.1 1,-0.1 59,-0.1 -0.784 3.7-143.1-105.8 148.2 -18.1 128.7 25.4 21 23 A S S S- 0 0 114 -2,-0.3 -1,-0.1 1,-0.2 57,-0.0 0.827 85.8 -3.7 -75.9 -30.8 -16.2 131.2 27.5 22 24 A S S S- 0 0 69 55,-0.1 -1,-0.2 57,-0.0 57,-0.1 -0.963 94.0 -68.0-154.4 165.7 -13.2 131.1 25.2 23 25 A P - 0 0 64 0, 0.0 2,-0.3 0, 0.0 55,-0.2 -0.201 43.7-145.9 -64.0 150.7 -12.0 129.3 22.0 24 26 A L E -A 77 0A 42 53,-3.0 53,-2.8 -4,-0.0 2,-0.6 -0.857 16.9-115.0-120.0 148.2 -11.1 125.6 22.1 25 27 A T E -A 76 0A 115 -2,-0.3 51,-0.2 51,-0.2 2,-0.2 -0.749 29.4-144.1 -90.2 121.5 -8.4 123.8 20.2 26 28 A A - 0 0 7 49,-2.7 2,-0.7 -2,-0.6 49,-0.4 -0.504 18.1-114.7 -83.6 153.6 -9.8 121.3 17.7 27 29 A H E -E 485 0B 100 458,-2.6 458,-2.8 -2,-0.2 2,-0.4 -0.814 32.6-145.7 -91.6 116.5 -8.0 118.0 17.0 28 30 A V E -E 484 0B 44 -2,-0.7 2,-0.4 456,-0.2 456,-0.2 -0.649 16.8-175.6 -88.4 128.1 -6.8 118.0 13.4 29 31 A T E +E 483 0B 47 454,-3.0 454,-2.4 -2,-0.4 2,-0.2 -0.962 63.1 7.3-117.1 143.8 -6.6 114.8 11.3 30 32 A G E S-E 482 0B 64 -2,-0.4 2,-0.4 452,-0.2 452,-0.2 -0.518 107.5 -57.8 78.9-157.5 -5.1 114.9 7.8 31 33 A R - 0 0 187 450,-1.3 42,-0.1 -2,-0.2 -1,-0.1 -0.959 40.2-146.2-128.0 115.5 -3.4 118.2 6.7 32 34 A I - 0 0 3 -2,-0.4 -2,-0.0 41,-0.3 -4,-0.0 -0.630 38.9-103.4 -75.3 130.5 -5.1 121.6 6.6 33 35 A P > - 0 0 24 0, 0.0 3,-1.5 0, 0.0 40,-0.3 -0.279 21.9-135.1 -60.3 138.6 -3.7 123.6 3.7 34 36 A L T 3 S+ 0 0 101 1,-0.3 38,-0.3 38,-0.1 39,-0.1 0.678 101.9 62.7 -74.0 -16.3 -1.2 126.3 4.9 35 37 A W T 3 S+ 0 0 75 36,-0.1 2,-1.0 37,-0.1 -1,-0.3 0.595 79.4 98.9 -77.2 -12.0 -2.7 128.9 2.7 36 38 A L < + 0 0 2 -3,-1.5 37,-0.4 464,-0.0 2,-0.4 -0.687 48.1 152.4 -84.1 103.2 -6.0 128.6 4.5 37 39 A T + 0 0 53 -2,-1.0 464,-2.0 34,-0.1 2,-0.3 -0.974 30.6 52.5-139.9 118.6 -6.0 131.5 7.0 38 40 A G E S-BC 70 500A 3 32,-1.5 32,-2.9 -2,-0.4 2,-0.4 -0.977 78.1 -61.0 152.0-161.0 -9.1 133.2 8.4 39 41 A S E -BC 69 499A 11 460,-2.7 460,-3.0 -2,-0.3 2,-0.8 -0.984 22.0-147.7-130.3 127.6 -12.4 132.5 10.1 40 42 A L E -BC 68 498A 1 28,-2.9 28,-2.2 -2,-0.4 2,-0.5 -0.880 26.1-169.1 -88.5 112.8 -15.5 130.5 9.1 41 43 A L E +BC 67 497A 0 456,-3.1 456,-2.5 -2,-0.8 2,-0.3 -0.940 10.0 172.0-106.4 127.2 -18.4 132.3 10.8 42 44 A R E -BC 66 496A 4 24,-1.9 24,-2.9 -2,-0.5 2,-0.4 -0.967 19.6-145.5-137.1 151.7 -21.8 130.7 10.9 43 45 A C E +BC 65 495A 0 452,-2.5 451,-2.8 71,-0.4 452,-0.7 -0.936 28.5 140.3-120.0 146.9 -25.2 131.2 12.4 44 46 A G E -B 64 0A 0 20,-1.8 20,-3.2 -2,-0.4 2,-0.2 -0.943 54.6 -77.3-163.9 169.1 -27.8 128.8 13.7 45 47 A P E +B 63 0A 0 0, 0.0 18,-0.2 0, 0.0 17,-0.2 -0.586 43.0 170.9 -74.8 142.0 -30.4 128.3 16.5 46 48 A G + 0 0 0 16,-2.0 -29,-2.2 1,-0.3 2,-0.4 0.481 61.6 51.0-131.0 -13.9 -28.6 127.2 19.7 47 49 A L + 0 0 23 15,-0.5 15,-2.1 -31,-0.2 -1,-0.3 -0.952 55.6 179.6-131.8 116.0 -31.3 127.3 22.4 48 50 A F + 0 0 1 -2,-0.4 7,-2.3 13,-0.2 2,-0.3 0.298 66.4 26.3-108.0 6.5 -34.5 125.5 21.6 49 51 A E E -J 54 0C 67 5,-0.3 2,-0.6 13,-0.0 -1,-0.1 -0.956 62.8-138.7-157.6 152.3 -36.5 126.1 24.8 50 52 A V E > S-J 53 0C 10 3,-2.9 3,-2.0 -2,-0.3 2,-0.3 -0.940 77.5 -53.7-113.5 101.4 -36.6 128.7 27.6 51 53 A G T 3 S- 0 0 69 -2,-0.6 44,-0.1 1,-0.3 43,-0.0 -0.509 123.6 -18.3 67.5-121.1 -37.0 126.7 30.8 52 54 A S T 3 S+ 0 0 119 -2,-0.3 -1,-0.3 -3,-0.1 43,-0.1 0.244 118.1 99.7 -97.9 9.1 -40.0 124.5 30.3 53 55 A E E < -J 50 0C 76 -3,-2.0 -3,-2.9 0, 0.0 2,-0.2 -0.887 64.8-148.8-100.3 117.2 -41.3 126.7 27.4 54 56 A P E -J 49 0C 53 0, 0.0 2,-0.4 0, 0.0 -5,-0.3 -0.499 12.4-134.2 -87.5 151.0 -40.5 125.2 24.0 55 57 A F - 0 0 3 -7,-2.3 48,-0.1 -2,-0.2 6,-0.1 -0.860 20.9-160.5 -86.9 139.7 -39.7 126.8 20.7 56 58 A Y + 0 0 132 -2,-0.4 255,-2.7 46,-0.1 256,-0.6 0.772 58.6 58.4 -92.8 -32.5 -41.8 124.9 18.0 57 59 A H B >> S-K 310 0D 0 253,-0.3 3,-2.0 254,-0.1 4,-0.5 -0.747 79.1-118.3-111.9 150.4 -40.2 125.7 14.6 58 60 A L T 34 S+ 0 0 15 251,-2.4 3,-0.2 -2,-0.3 252,-0.1 0.765 115.3 52.6 -48.4 -31.3 -36.7 125.3 13.1 59 61 A F T 34 S+ 0 0 35 1,-0.2 42,-0.5 250,-0.2 -1,-0.3 0.107 96.6 72.5-100.1 22.9 -36.4 129.1 12.7 60 62 A D T <4 + 0 0 0 -3,-2.0 -1,-0.2 40,-0.1 -2,-0.2 0.757 64.0 103.5-104.3 -32.6 -37.3 129.9 16.4 61 63 A G S < S- 0 0 0 -4,-0.5 -13,-0.2 -3,-0.2 2,-0.2 -0.099 83.6 -83.7 -61.9 156.6 -34.3 128.9 18.5 62 64 A Q - 0 0 1 -15,-2.1 -16,-2.0 -17,-0.2 -15,-0.5 -0.346 51.6 -98.9 -73.3 132.1 -32.0 131.6 19.9 63 65 A A E -B 45 0A 2 -18,-0.2 19,-2.2 -2,-0.2 2,-0.4 -0.088 38.5-171.1 -49.1 126.9 -29.2 132.8 17.6 64 66 A L E -BD 44 81A 0 -20,-3.2 -20,-1.8 17,-0.2 2,-0.5 -0.987 11.5-147.5-124.5 130.3 -25.8 131.2 18.2 65 67 A L E -BD 43 80A 0 15,-2.6 15,-2.0 -2,-0.4 2,-0.3 -0.892 16.7-165.4-102.3 126.1 -22.7 132.5 16.4 66 68 A H E -BD 42 79A 4 -24,-2.9 -24,-1.9 -2,-0.5 2,-0.4 -0.847 5.7-169.1-116.6 147.9 -20.0 130.0 15.6 67 69 A K E -BD 41 78A 2 11,-2.7 11,-2.0 -2,-0.3 2,-0.6 -0.977 12.8-173.2-141.6 124.4 -16.3 130.4 14.6 68 70 A F E -BD 40 77A 2 -28,-2.2 -28,-2.9 -2,-0.4 2,-0.5 -0.979 20.0-158.3-105.7 119.1 -13.7 128.1 13.3 69 71 A D E -BD 39 76A 46 7,-1.9 7,-1.7 -2,-0.6 2,-0.5 -0.871 2.2-159.4 -98.2 133.2 -10.3 129.9 13.1 70 72 A F E +BD 38 75A 4 -32,-2.9 -32,-1.5 -2,-0.5 2,-0.3 -0.953 20.8 157.6-115.0 121.7 -7.6 128.6 10.8 71 73 A K E > - D 0 74A 145 3,-2.4 3,-2.5 -2,-0.5 -34,-0.1 -0.948 69.0 -25.0-147.0 122.4 -3.9 129.5 11.4 72 74 A E T 3 S- 0 0 149 -2,-0.3 -38,-0.1 -38,-0.3 3,-0.1 0.802 126.1 -47.4 47.3 40.9 -0.8 127.7 10.2 73 75 A G T 3 S+ 0 0 19 -37,-0.4 -41,-0.3 -40,-0.3 2,-0.3 0.469 117.4 113.2 85.3 3.0 -2.6 124.3 10.0 74 76 A H E < - D 0 71A 132 -3,-2.5 -3,-2.4 -47,-0.0 2,-0.4 -0.779 48.1-158.6-109.1 152.2 -4.2 124.8 13.4 75 77 A V E - D 0 70A 3 -49,-0.4 -49,-2.7 -2,-0.3 2,-0.3 -0.990 8.3-173.3-137.8 136.2 -7.9 125.2 14.2 76 78 A T E -AD 25 69A 37 -7,-1.7 -7,-1.9 -2,-0.4 2,-0.4 -0.892 11.5-148.2-121.7 158.7 -9.9 126.6 17.1 77 79 A Y E +AD 24 68A 0 -53,-2.8 -53,-3.0 -2,-0.3 2,-0.3 -0.989 20.4 165.1-128.2 135.4 -13.7 126.6 17.8 78 80 A H E - D 0 67A 10 -11,-2.0 -11,-2.7 -2,-0.4 2,-0.3 -0.978 8.0-177.1-143.1 150.0 -15.7 129.2 19.6 79 81 A R E + D 0 66A 8 -2,-0.3 -59,-2.3 -13,-0.2 2,-0.3 -0.979 2.5 178.0-150.5 145.0 -19.4 130.0 20.0 80 82 A R E - D 0 65A 61 -15,-2.0 -15,-2.6 -2,-0.3 2,-0.2 -0.995 32.2-114.6-143.1 137.8 -21.4 132.7 21.7 81 83 A F E - 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