==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 12-MAR-04 1SO0 . COMPND 2 MOLECULE: ALDOSE 1-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.B.THODEN,D.J.TIMSON,R.J.REECE,H.M.HOLDEN . 1372 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 929 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 539 39.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 20 1.5 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 . 1 0.1 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 . 143 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 141 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 0.9 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 4 0 2 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 . 4 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 . 26 20 9 8 18 1 8 8 4 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 . 16 4 0 8 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 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 -1 A G 0 0 56 0, 0.0 2,-0.1 0, 0.0 156,-0.0 0.000 360.0 360.0 360.0 109.9 21.4 11.7 4.9 2 0 A H - 0 0 55 1,-0.1 154,-3.0 153,-0.1 2,-0.2 -0.356 360.0-104.9 -85.3 156.9 21.8 13.0 1.3 3 1 A M B -A 155 0A 4 152,-0.3 152,-0.2 -2,-0.1 -1,-0.1 -0.557 48.1-108.7 -75.6 139.8 19.4 14.2 -1.2 4 2 A A - 0 0 1 150,-1.8 2,-0.4 123,-0.3 24,-0.3 -0.294 19.9-143.9 -75.6 153.9 18.8 11.6 -3.9 5 3 A S E -J 27 0B 52 22,-3.1 22,-3.2 122,-0.1 2,-0.4 -0.832 18.8-138.1-110.2 151.8 19.9 11.7 -7.4 6 4 A V E -J 26 0B 33 -2,-0.4 2,-0.3 120,-0.2 20,-0.2 -0.955 19.1-179.5-121.8 131.2 17.7 10.3 -10.1 7 5 A T E -J 25 0B 75 18,-2.1 18,-3.0 -2,-0.4 2,-0.3 -0.916 9.9-159.2-122.7 151.5 18.4 8.3 -13.2 8 6 A R E +J 24 0B 123 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.947 15.1 161.2-130.0 156.7 16.1 7.0 -15.8 9 7 A A E -J 23 0B 57 14,-1.6 14,-2.8 -2,-0.3 2,-0.3 -0.978 47.0 -85.1-160.2 163.5 16.1 4.2 -18.4 10 8 A V E +J 22 0B 104 -2,-0.3 12,-0.2 12,-0.2 3,-0.1 -0.643 41.3 173.2 -77.1 132.2 13.8 2.1 -20.6 11 9 A F E - 0 0 42 10,-2.8 53,-0.3 1,-0.4 2,-0.3 0.738 57.4 -30.7-105.6 -48.0 12.6 -0.9 -18.5 12 10 A G E -J 21 0B 14 9,-2.2 9,-2.8 51,-0.1 -1,-0.4 -0.940 49.6-116.0-162.0-178.3 10.1 -2.4 -20.9 13 11 A E E -J 20 0B 103 -2,-0.3 7,-0.2 7,-0.3 4,-0.1 -0.999 31.3-121.8-136.0 127.3 7.5 -1.9 -23.7 14 12 A L E >> -J 19 0B 12 5,-3.6 4,-1.0 -2,-0.4 5,-0.7 -0.427 29.5-113.4 -71.7 140.2 3.8 -2.6 -23.3 15 13 A P T >45S+ 0 0 91 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.152 100.6 36.1 -62.4 166.7 2.2 -5.2 -25.6 16 14 A S T 345S- 0 0 135 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 0.853 136.6 -71.9 53.7 33.7 -0.4 -4.0 -28.2 17 15 A G T 345S+ 0 0 72 -3,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.882 84.8 158.8 47.6 45.5 1.8 -1.0 -28.4 18 16 A G T <<5 - 0 0 42 -3,-1.4 -1,-0.1 -4,-1.0 2,-0.1 0.596 55.5 -92.3 -74.8 -6.4 0.6 0.2 -25.0 19 17 A G E < -J 14 0B 21 -5,-0.7 -5,-3.6 2,-0.1 2,-0.4 -0.376 42.9 -62.0 118.9 161.7 3.7 2.3 -24.6 20 18 A T E -J 13 0B 64 -7,-0.2 2,-0.5 -2,-0.1 -7,-0.3 -0.680 42.5-147.1 -85.2 133.4 7.2 2.4 -23.3 21 19 A V E -J 12 0B 0 -9,-2.8 -10,-2.8 -2,-0.4 -9,-2.2 -0.858 12.8-156.4-104.1 129.4 7.7 1.9 -19.6 22 20 A E E -J 10 0B 38 -2,-0.5 15,-1.7 -12,-0.2 2,-0.5 -0.641 7.9-142.6-103.3 157.8 10.6 3.6 -17.8 23 21 A K E -JK 9 36B 45 -14,-2.8 -14,-1.6 -2,-0.3 2,-0.5 -0.961 12.9-160.9-117.4 129.2 12.4 2.9 -14.7 24 22 A F E -JK 8 35B 0 11,-3.8 11,-2.6 -2,-0.5 2,-0.6 -0.923 3.9-157.2-113.6 128.5 13.5 5.7 -12.4 25 23 A Q E -JK 7 34B 54 -18,-3.0 -18,-2.1 -2,-0.5 2,-0.5 -0.932 4.5-166.3-113.1 121.9 16.2 5.1 -9.9 26 24 A L E -JK 6 33B 0 7,-3.7 7,-2.6 -2,-0.6 2,-0.4 -0.902 13.3-177.7-106.5 125.6 16.4 7.3 -6.9 27 25 A Q E +JK 5 32B 79 -22,-3.2 -22,-3.1 -2,-0.5 5,-0.2 -0.986 14.5 162.6-137.8 136.4 19.5 7.1 -4.9 28 26 A S - 0 0 16 3,-2.5 -25,-0.1 -2,-0.4 -24,-0.1 -0.497 58.6 -88.8-121.8-172.9 20.8 8.6 -1.8 29 27 A D S S+ 0 0 65 -2,-0.2 3,-0.1 1,-0.1 128,-0.1 0.548 126.0 32.7 -77.6 -8.0 23.7 7.6 0.5 30 28 A L S S+ 0 0 74 126,-0.3 18,-0.5 1,-0.3 2,-0.3 0.733 119.2 29.2-116.9 -40.6 21.2 5.4 2.4 31 29 A L - 0 0 5 125,-0.5 -3,-2.5 16,-0.1 2,-0.4 -0.928 50.2-154.8-128.6 160.7 18.6 4.1 0.1 32 30 A R E -KL 27 46B 64 14,-1.5 14,-2.7 -2,-0.3 2,-0.4 -0.984 18.4-174.1-131.0 117.5 18.1 3.0 -3.4 33 31 A V E -KL 26 45B 0 -7,-2.6 -7,-3.7 -2,-0.4 2,-0.4 -0.945 6.9-162.4-118.4 130.8 14.6 3.1 -4.8 34 32 A D E +KL 25 44B 6 10,-2.4 9,-2.9 -2,-0.4 10,-1.1 -0.932 14.0 176.5-112.1 132.5 13.5 1.9 -8.2 35 33 A I E -KL 24 42B 0 -11,-2.6 -11,-3.8 -2,-0.4 2,-0.3 -1.000 14.2-153.3-143.4 139.9 10.2 2.9 -9.7 36 34 A I E > -KL 23 41B 0 5,-1.7 5,-0.9 -2,-0.4 -13,-0.2 -0.808 25.4-125.3-114.9 148.6 8.4 2.4 -13.0 37 35 A S T 5S+ 0 0 2 -15,-1.7 83,-3.3 -2,-0.3 2,-0.8 0.418 87.3 94.6 -67.6 -3.6 5.9 4.4 -14.8 38 36 A W B > 5S-N 119 0C 19 -16,-0.3 3,-1.4 81,-0.2 81,-0.2 -0.829 118.2 -23.2 -93.5 109.3 3.5 1.5 -15.0 39 37 A G T 3 5S- 0 0 0 79,-2.9 38,-2.0 -2,-0.8 -1,-0.2 0.804 104.0 -85.4 61.0 25.9 1.3 1.9 -12.0 40 38 A C T 3 5S- 0 0 0 78,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.854 74.1-173.5 39.8 40.8 3.9 4.1 -10.2 41 39 A T E < < -L 36 0B 2 -3,-1.4 -5,-1.7 -5,-0.9 2,-0.5 -0.508 27.6-139.2 -73.6 118.5 5.3 0.7 -9.0 42 40 A I E +L 35 0B 2 33,-3.3 -7,-0.3 -2,-0.4 3,-0.1 -0.623 24.7 179.1 -75.8 128.4 8.1 0.5 -6.6 43 41 A T E + 0 0 1 -9,-2.9 2,-0.3 -2,-0.5 -1,-0.2 0.702 58.9 7.1-103.8 -25.1 10.2 -2.2 -8.0 44 42 A A E -L 34 0B 4 -10,-1.1 -10,-2.4 31,-0.1 2,-0.3 -0.986 51.8-168.8-157.5 150.6 13.1 -2.4 -5.6 45 43 A L E -L 33 0B 1 -2,-0.3 12,-3.6 -12,-0.2 2,-0.6 -0.869 10.9-162.0-151.2 105.0 14.1 -0.9 -2.3 46 44 A E E +LM 32 56B 54 -14,-2.7 -14,-1.5 -2,-0.3 2,-0.3 -0.839 15.9 169.2 -96.1 122.7 17.5 -1.4 -1.1 47 45 A V E - M 0 55B 5 8,-3.2 8,-3.1 -2,-0.6 2,-0.2 -0.970 28.0-116.6-135.9 145.5 18.2 -0.7 2.6 48 46 A K E - M 0 54B 84 -18,-0.5 6,-0.3 -2,-0.3 2,-0.1 -0.526 15.1-148.3 -86.0 146.8 21.2 -1.4 4.9 49 47 A D > - 0 0 24 4,-2.6 3,-1.6 -2,-0.2 219,-0.2 -0.281 49.5 -78.9 -93.9-169.5 21.5 -3.6 7.9 50 48 A R T 3 S+ 0 0 121 217,-2.2 218,-0.1 1,-0.3 217,-0.1 0.686 131.7 57.2 -66.9 -17.9 23.8 -2.9 10.8 51 49 A Q T 3 S- 0 0 143 216,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.622 120.9-107.6 -85.0 -12.0 26.8 -4.1 8.9 52 50 A G S < S+ 0 0 39 -3,-1.6 2,-0.4 1,-0.3 -2,-0.1 0.542 72.3 147.1 96.5 9.8 26.1 -1.6 6.2 53 51 A R - 0 0 150 1,-0.0 -4,-2.6 -6,-0.0 2,-0.5 -0.676 40.9-139.3 -84.0 129.9 24.9 -4.4 3.9 54 52 A A E +M 48 0B 55 -2,-0.4 2,-0.4 -6,-0.3 -6,-0.3 -0.763 23.3 174.9 -93.0 127.9 22.1 -3.5 1.5 55 53 A S E -M 47 0B 38 -8,-3.1 -8,-3.2 -2,-0.5 2,-0.6 -0.948 36.0-117.5-127.9 150.6 19.3 -5.8 0.8 56 54 A D E -M 46 0B 25 -2,-0.4 130,-2.8 -10,-0.3 -10,-0.3 -0.788 27.1-167.2 -84.3 118.5 16.2 -5.0 -1.3 57 55 A V + 0 0 0 -12,-3.6 125,-2.0 -2,-0.6 2,-0.5 0.151 54.9 88.3 -98.6 21.9 13.4 -5.3 1.1 58 56 A V B S-O 181 0D 1 -13,-0.3 123,-0.2 123,-0.2 -13,-0.2 -0.955 70.8-129.9-129.8 132.9 10.6 -5.3 -1.3 59 57 A L + 0 0 1 121,-1.5 121,-0.4 -2,-0.5 2,-0.3 -0.434 54.1 111.0 -70.5 146.7 9.0 -8.2 -3.2 60 58 A G - 0 0 0 -2,-0.1 235,-1.1 119,-0.1 2,-0.3 -0.988 57.0 -73.5 172.3-170.3 8.7 -7.7 -6.9 61 59 A F - 0 0 3 -2,-0.3 233,-0.1 233,-0.2 234,-0.1 -0.803 17.8-138.8-118.3 157.3 9.8 -8.7 -10.3 62 60 A A S S+ 0 0 53 -2,-0.3 2,-0.3 232,-0.2 -1,-0.1 0.678 87.6 37.8 -86.0 -19.7 12.9 -8.2 -12.5 63 61 A E S >> S- 0 0 114 1,-0.1 3,-2.1 -51,-0.0 4,-0.7 -0.955 82.8-113.4-134.3 157.2 11.0 -7.5 -15.6 64 62 A L H >> S+ 0 0 2 -2,-0.3 3,-1.9 -53,-0.3 4,-1.1 0.893 113.3 63.7 -46.6 -50.3 7.9 -5.7 -16.7 65 63 A E H 3> S+ 0 0 114 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.774 92.5 66.9 -48.8 -28.6 6.3 -9.0 -17.8 66 64 A G H <4 S+ 0 0 9 -3,-2.1 3,-0.4 1,-0.2 -1,-0.3 0.886 104.3 41.9 -62.0 -40.3 6.5 -10.0 -14.1 67 65 A Y H << S+ 0 0 8 -3,-1.9 4,-0.3 -4,-0.7 -1,-0.2 0.702 106.6 62.5 -79.0 -22.6 4.0 -7.3 -13.2 68 66 A L H < S+ 0 0 67 -4,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.574 91.3 82.5 -81.6 -10.9 1.8 -8.0 -16.2 69 67 A Q S < S- 0 0 48 -4,-0.8 2,-1.3 -3,-0.4 -3,-0.0 -0.400 107.7 -72.1 -85.6 170.9 1.0 -11.5 -15.0 70 68 A K S S+ 0 0 210 -2,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.496 76.9 147.0 -69.9 93.7 -1.6 -12.3 -12.5 71 69 A Q - 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0 0 18 -11,-3.0 2,-0.2 -2,-0.4 42,-0.1 -0.665 37.7 -75.0-116.5 172.4 -18.5 -1.1 -10.2 100 98 A A - 0 0 30 40,-0.4 2,-1.7 -2,-0.2 8,-0.3 -0.504 35.4-135.4 -69.7 133.5 -16.8 -4.3 -11.4 101 99 A I + 0 0 80 -2,-0.2 3,-0.4 1,-0.2 6,-0.2 -0.647 45.5 152.4 -90.8 80.1 -17.2 -7.2 -9.1 102 100 A N S S+ 0 0 45 -2,-1.7 -1,-0.2 1,-0.3 5,-0.2 0.487 72.3 39.2 -87.7 -3.8 -13.7 -8.3 -9.4 103 101 A K B > S-U 106 0I 110 3,-2.1 3,-3.0 -3,-0.2 -1,-0.3 -0.535 112.0 -96.1-145.5 71.8 -13.8 -9.9 -5.9 104 102 A E T 3 S+ 0 0 173 -3,-0.4 3,-0.1 1,-0.4 -2,-0.0 0.090 105.4 6.0 -32.0 127.2 -17.2 -11.7 -5.4 105 103 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.901 131.0 46.0 -99.8 21.4 -19.3 -10.3 -4.0 106 104 A N B < S-U 103 0I 5 -3,-3.0 -3,-2.1 -19,-0.2 2,-0.3 -0.595 72.8-112.1-115.5 179.2 -17.4 -7.1 -3.8 107 105 A S E -S 85 0G 1 -22,-1.7 -22,-2.3 -6,-0.2 2,-0.4 -0.853 37.1-162.3-106.8 139.2 -15.3 -4.7 -5.8 108 106 A L E > -S 84 0G 11 -2,-0.3 3,-1.5 -8,-0.3 -24,-0.2 -0.989 50.5 -14.9-136.4 135.7 -11.6 -4.4 -4.9 109 107 A H T 3 S- 0 0 10 -26,-2.8 -30,-0.4 -2,-0.4 7,-0.3 0.850 123.2 -44.3 47.2 49.7 -8.8 -2.0 -5.4 110 108 A G T 3 S- 0 0 2 -29,-1.1 2,-0.3 -27,-0.4 3,-0.3 0.362 96.0 -92.1 86.7 -9.5 -10.2 0.1 -8.2 111 109 A G S < S- 0 0 2 -3,-1.5 3,-0.5 1,-0.2 -32,-0.0 -0.781 71.2 -28.1 110.6-152.7 -11.7 -2.6 -10.5 112 110 A V S S+ 0 0 94 -2,-0.3 2,-0.6 1,-0.3 -1,-0.2 0.930 139.8 25.8 -75.5 -46.7 -10.5 -4.6 -13.4 113 111 A R S S+ 0 0 137 -3,-0.3 -1,-0.3 3,-0.0 -3,-0.0 -0.732 89.5 170.5-119.5 78.1 -8.0 -2.1 -14.7 114 112 A G > - 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