==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-NOV-10 3PH9 . COMPND 2 MOLECULE: ANTERIOR GRADIENT PROTEIN 3 HOMOLOG; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.D.NGUYEN,L.W.RUDDOCK,M.SALIN,R.K.WIERENGA . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13470.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 24 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 0 0 0 0 2 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 31 A P 0 0 161 0, 0.0 2,-0.1 0, 0.0 144,-0.1 0.000 360.0 360.0 360.0 101.8 18.6 54.5 51.7 2 32 A Q - 0 0 59 142,-0.3 136,-2.4 135,-0.1 137,-0.5 -0.306 360.0-174.2 -60.7 121.4 17.8 50.7 51.3 3 33 A T B -A 137 0A 42 134,-0.3 134,-0.3 -2,-0.1 133,-0.1 -0.796 29.8-133.1-107.5 157.2 15.1 50.0 48.8 4 34 A L S S+ 0 0 0 132,-2.1 65,-0.2 -2,-0.3 133,-0.1 0.790 105.9 55.6 -77.1 -28.9 13.6 46.6 48.1 5 35 A S S > S- 0 0 3 131,-0.6 3,-2.3 5,-0.1 -1,-0.2 0.845 79.0-167.0 -73.3 -34.3 13.8 47.0 44.4 6 36 A R T 3 S- 0 0 20 1,-0.3 42,-0.1 2,-0.1 -2,-0.0 0.845 74.9 -49.8 51.5 36.2 17.6 47.7 44.4 7 37 A G T 3 S+ 0 0 32 1,-0.0 45,-0.3 45,-0.0 -1,-0.3 0.335 116.3 107.9 87.4 -4.3 17.4 49.0 40.8 8 38 A W S < S- 0 0 0 -3,-2.3 -2,-0.1 1,-0.2 -1,-0.0 0.522 101.1 -38.1 -83.0 -6.4 15.5 46.0 39.3 9 39 A G > - 0 0 5 3,-0.1 3,-1.2 44,-0.0 -1,-0.2 0.032 44.7-153.6 144.3 103.3 12.2 48.0 38.8 10 40 A D T 3 S+ 0 0 90 1,-0.2 126,-0.3 -3,-0.1 4,-0.1 0.709 97.2 56.3 -70.5 -19.2 10.7 50.5 41.2 11 41 A D T 3 S+ 0 0 132 124,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.393 85.7 97.4 -93.7 -1.3 7.1 49.8 40.0 12 42 A I S < S- 0 0 3 -3,-1.2 2,-0.9 51,-0.0 50,-0.1 -0.679 76.9-132.3 -78.5 142.9 7.3 46.1 40.8 13 43 A T - 0 0 119 -2,-0.3 54,-0.5 48,-0.1 2,-0.2 -0.884 32.8-157.8 -97.3 103.9 5.8 45.2 44.1 14 44 A W - 0 0 5 -2,-0.9 2,-0.2 52,-0.1 54,-0.2 -0.557 11.3-134.7 -85.8 139.8 8.6 43.0 45.5 15 45 A V - 0 0 11 52,-2.5 54,-0.4 -2,-0.2 3,-0.0 -0.610 13.7-140.3 -80.7 162.3 8.2 40.4 48.2 16 46 A Q S S+ 0 0 3 -2,-0.2 2,-0.3 52,-0.1 -1,-0.1 0.772 72.9 32.5 -96.0 -32.9 10.9 40.5 50.9 17 47 A T S > S- 0 0 0 1,-0.1 4,-2.3 134,-0.1 5,-0.1 -0.843 72.6-118.8-129.8 161.9 11.6 36.9 51.6 18 48 A Y H > S+ 0 0 17 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.926 114.9 52.9 -62.4 -45.8 11.7 33.5 49.8 19 49 A E H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.888 110.2 48.0 -62.1 -37.9 9.0 32.1 52.1 20 50 A E H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.924 110.5 52.8 -64.3 -45.9 6.7 35.0 51.3 21 51 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.931 111.3 45.8 -52.7 -49.7 7.5 34.5 47.6 22 52 A L H X S+ 0 0 36 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.882 109.6 55.2 -64.7 -39.3 6.5 30.9 47.8 23 53 A F H X S+ 0 0 89 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.954 114.8 37.9 -57.6 -52.9 3.4 31.7 49.7 24 54 A Y H X S+ 0 0 96 -4,-2.4 4,-2.7 2,-0.2 6,-0.3 0.828 112.4 58.2 -71.5 -33.6 2.1 34.1 47.0 25 55 A A H X>S+ 0 0 0 -4,-2.5 5,-1.6 -5,-0.3 4,-1.0 0.949 111.5 40.6 -58.0 -49.9 3.3 32.0 44.1 26 56 A Q H <5S+ 0 0 116 -4,-2.3 3,-0.2 3,-0.2 -2,-0.2 0.933 118.6 46.4 -67.8 -42.9 1.3 29.0 45.2 27 57 A K H <5S+ 0 0 160 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.897 121.4 35.8 -65.8 -43.7 -1.8 31.1 46.2 28 58 A S H <5S- 0 0 52 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.510 104.9-126.2 -91.3 -2.9 -1.9 33.3 43.0 29 59 A K T <5 + 0 0 150 -4,-1.0 -3,-0.2 -3,-0.2 -4,-0.1 0.905 66.3 130.5 55.7 46.3 -0.7 30.5 40.7 30 60 A K < - 0 0 66 -5,-1.6 -1,-0.2 -6,-0.3 35,-0.2 -0.938 61.3-109.9-122.9 144.1 2.2 32.6 39.4 31 61 A P - 0 0 3 0, 0.0 35,-2.5 0, 0.0 2,-0.5 -0.400 30.1-124.0 -67.1 155.9 5.9 31.6 39.2 32 62 A L E -bC 66 92B 0 60,-2.8 60,-2.8 33,-0.2 2,-0.5 -0.886 16.2-153.3 -98.9 132.9 8.4 33.2 41.5 33 63 A M E -bC 67 91B 0 33,-2.9 35,-2.6 -2,-0.5 2,-0.6 -0.940 9.1-167.2-107.3 121.8 11.3 35.0 40.0 34 64 A V E -bC 68 90B 0 56,-2.9 56,-2.5 -2,-0.5 2,-0.6 -0.960 0.7-167.0-116.0 114.0 14.4 35.1 42.3 35 65 A I E -bC 69 89B 0 33,-2.7 35,-2.4 -2,-0.6 2,-0.5 -0.914 2.8-163.9-108.8 112.4 17.1 37.5 41.2 36 66 A H E +bC 70 88B 2 52,-3.1 52,-2.3 -2,-0.6 2,-0.3 -0.850 27.7 140.0 -97.7 132.1 20.4 37.0 43.0 37 67 A H - 0 0 1 33,-2.1 2,-0.3 -2,-0.5 -2,-0.0 -0.923 40.9-129.5-159.8 173.5 22.8 39.9 42.7 38 68 A L > - 0 0 83 -2,-0.3 3,-0.9 3,-0.2 7,-0.1 -0.983 17.4-135.4-136.8 150.0 25.4 42.1 44.5 39 69 A E T 3 S+ 0 0 77 -2,-0.3 -1,-0.1 1,-0.3 6,-0.1 0.883 105.5 51.4 -77.4 -33.2 25.6 45.9 44.5 40 70 A D T 3 S+ 0 0 172 4,-0.1 2,-0.6 5,-0.0 -1,-0.3 -0.009 87.2 104.6 -91.3 30.2 29.4 45.9 43.9 41 71 A C <> - 0 0 26 -3,-0.9 4,-2.7 1,-0.1 5,-0.2 -0.955 57.9-157.6-116.4 113.2 29.1 43.6 40.8 42 72 A Q H > S+ 0 0 170 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.866 96.4 51.1 -53.9 -43.1 29.5 45.3 37.4 43 73 A Y H > S+ 0 0 147 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.899 110.4 48.1 -65.1 -42.5 27.6 42.5 35.7 44 74 A S H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.919 113.7 48.6 -57.8 -46.8 24.7 42.7 38.2 45 75 A Q H X S+ 0 0 77 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.921 112.0 47.7 -62.2 -44.5 24.6 46.5 37.7 46 76 A A H X S+ 0 0 42 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.912 113.7 47.0 -65.7 -44.3 24.6 46.3 33.9 47 77 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.901 111.3 49.9 -63.8 -42.2 21.9 43.7 33.8 48 78 A K H X S+ 0 0 13 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.882 104.7 58.6 -71.9 -31.6 19.6 45.4 36.2 49 79 A K H X S+ 0 0 161 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.910 113.9 37.5 -59.5 -44.0 19.8 48.7 34.4 50 80 A V H X S+ 0 0 54 -4,-1.4 4,-0.8 2,-0.2 -2,-0.2 0.870 115.8 54.3 -77.4 -31.6 18.5 47.1 31.2 51 81 A F H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.939 106.7 51.7 -63.2 -49.2 16.0 44.9 33.2 52 82 A A H 3< S+ 0 0 22 -4,-3.1 -1,-0.2 -45,-0.3 -2,-0.2 0.803 114.8 42.7 -54.0 -33.7 14.5 47.9 34.9 53 83 A Q H 3< S+ 0 0 160 -4,-0.8 2,-0.7 -5,-0.2 -1,-0.2 0.448 85.0 106.1-102.2 -3.1 13.9 49.7 31.6 54 84 A N S+ 0 0 174 -2,-0.7 4,-2.3 1,-0.2 5,-0.2 0.881 88.8 47.1 -61.4 -45.8 8.9 47.3 28.9 56 86 A E H > S+ 0 0 86 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 114.3 48.2 -67.9 -41.1 7.9 43.7 28.1 57 87 A I H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.920 111.9 49.8 -61.8 -46.8 9.9 42.3 31.1 58 88 A Q H X S+ 0 0 15 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.893 108.1 52.5 -64.1 -38.4 8.4 44.9 33.5 59 89 A E H X S+ 0 0 90 -4,-2.3 4,-2.0 1,-0.2 5,-0.3 0.941 114.1 43.1 -63.4 -47.1 4.8 44.1 32.4 60 90 A M H X>S+ 0 0 5 -4,-2.0 4,-2.7 2,-0.2 5,-1.0 0.904 113.8 51.6 -60.5 -44.4 5.4 40.4 33.1 61 91 A A H <5S+ 0 0 2 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.898 115.1 42.4 -61.4 -39.9 7.2 41.1 36.3 62 92 A Q H <5S+ 0 0 78 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.871 130.6 19.4 -73.4 -41.1 4.4 43.3 37.6 63 93 A N H <5S+ 0 0 88 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.564 129.0 34.2-115.4 -14.8 1.4 41.2 36.5 64 94 A K T <5S+ 0 0 96 -4,-2.7 2,-0.3 -5,-0.3 -3,-0.2 0.554 108.5 53.0-122.2 -12.2 2.4 37.6 35.9 65 95 A F < - 0 0 7 -5,-1.0 2,-0.4 -4,-0.4 -33,-0.2 -0.864 68.2-127.7-123.4 158.2 5.1 36.9 38.4 66 96 A I E -b 32 0B 20 -35,-2.5 -33,-2.9 -2,-0.3 2,-0.5 -0.880 41.9-146.5 -94.3 135.8 5.9 37.0 42.1 67 97 A M E +b 33 0B 3 -54,-0.5 -52,-2.5 -2,-0.4 2,-0.4 -0.943 26.6 164.8-121.6 128.0 9.2 39.0 42.3 68 98 A L E -b 34 0B 0 -35,-2.6 -33,-2.7 -2,-0.5 2,-0.4 -1.000 10.9-172.4-138.3 135.5 12.1 38.7 44.7 69 99 A N E -b 35 0B 1 -54,-0.4 2,-0.3 -2,-0.4 -33,-0.2 -0.998 12.3-177.4-128.8 140.4 15.7 40.0 44.6 70 100 A L E -b 36 0B 3 -35,-2.4 -33,-2.1 -2,-0.4 3,-0.1 -0.944 29.5-167.9-134.9 147.5 18.3 39.0 47.2 71 101 A M S S+ 0 0 69 -2,-0.3 2,-0.3 -35,-0.2 -32,-0.1 0.167 83.7 55.6-118.6 15.0 21.9 39.8 47.9 72 102 A H S S- 0 0 41 -34,-0.0 82,-0.1 0, 0.0 -1,-0.1 -0.981 95.5 -99.6-141.3 142.4 22.4 37.0 50.4 73 103 A E - 0 0 41 -2,-0.3 -2,-0.1 1,-0.1 4,-0.1 -0.294 31.3-130.9 -68.8 145.8 21.7 33.3 49.7 74 104 A T - 0 0 15 2,-0.2 -1,-0.1 1,-0.1 5,-0.0 -0.193 29.3-103.6 -78.1-179.1 18.4 31.6 50.8 75 105 A T S S+ 0 0 115 -2,-0.0 2,-0.8 1,-0.0 -1,-0.1 0.405 94.2 98.2 -85.3 1.5 18.4 28.3 52.7 76 106 A D > - 0 0 35 1,-0.2 3,-2.0 2,-0.0 -2,-0.2 -0.797 53.1-168.5-100.8 106.9 17.3 26.4 49.5 77 107 A K G > S+ 0 0 185 -2,-0.8 3,-1.6 1,-0.3 -1,-0.2 0.720 84.3 75.8 -64.8 -18.4 20.3 24.7 47.8 78 108 A N G 3 S+ 0 0 108 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.674 87.3 61.1 -65.0 -16.4 17.9 24.1 44.9 79 109 A L G < S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.387 111.3 37.6 -89.7 0.5 18.3 27.8 44.0 80 110 A S X + 0 0 18 -3,-1.6 3,-1.5 -4,-0.1 -1,-0.2 -0.237 66.8 149.7-140.2 55.2 22.0 27.4 43.4 81 111 A P T 3 S+ 0 0 70 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.725 83.2 30.0 -67.6 -20.0 22.4 24.0 41.7 82 112 A D T 3 S- 0 0 46 1,-0.4 2,-0.1 3,-0.1 3,-0.1 -0.002 129.9 -60.4-127.9 33.4 25.5 25.0 39.8 83 113 A G < - 0 0 32 -3,-1.5 -1,-0.4 1,-0.1 26,-0.0 -0.345 48.0 -87.2 119.5 168.9 27.0 27.6 42.2 84 114 A Q + 0 0 126 -2,-0.1 -1,-0.1 -3,-0.1 4,-0.1 -0.038 68.7 138.4-105.4 30.2 26.4 30.9 43.9 85 115 A Y - 0 0 23 -3,-0.1 -49,-0.1 2,-0.1 -3,-0.1 -0.221 47.0 -96.6 -62.4 162.6 27.6 33.2 41.2 86 116 A V S S+ 0 0 28 1,-0.2 -49,-0.2 -51,-0.0 -42,-0.1 -0.952 93.9 42.3-141.9 156.5 25.7 36.4 40.4 87 117 A P S S+ 0 0 2 0, 0.0 2,-0.4 0, 0.0 26,-0.3 0.576 77.3 164.7 -66.3 147.0 23.7 37.7 38.7 88 118 A R E -C 36 0B 0 -52,-2.3 -52,-3.1 24,-0.2 2,-0.6 -0.964 20.2-165.9-141.7 116.1 21.6 34.5 38.9 89 119 A I E -C 35 0B 0 22,-2.9 2,-0.4 -2,-0.4 -54,-0.2 -0.917 10.6-179.8-112.0 114.5 18.0 34.4 38.0 90 120 A M E -C 34 0B 1 -56,-2.5 -56,-2.9 -2,-0.6 2,-0.4 -0.882 15.6-147.1-111.8 146.9 16.0 31.3 39.1 91 121 A F E -C 33 0B 1 8,-0.4 8,-2.9 -2,-0.4 2,-0.5 -0.924 7.6-160.4-110.7 136.8 12.3 30.6 38.4 92 122 A V E -CD 32 98B 0 -60,-2.8 -60,-2.8 -2,-0.4 6,-0.2 -0.983 16.7-133.0-118.2 125.0 10.1 28.7 40.9 93 123 A D > - 0 0 6 4,-2.8 3,-2.1 -2,-0.5 -67,-0.1 -0.310 27.7-109.9 -68.1 154.3 6.9 27.0 39.6 94 124 A P T 3 S+ 0 0 10 0, 0.0 -65,-0.1 0, 0.0 -1,-0.1 0.696 118.7 69.8 -60.8 -20.3 3.7 27.6 41.8 95 125 A S T 3 S- 0 0 58 2,-0.2 3,-0.1 -66,-0.1 -2,-0.1 0.426 121.4-110.9 -68.8 -4.2 3.9 23.9 42.7 96 126 A L S < S+ 0 0 74 -3,-2.1 2,-0.4 1,-0.3 -1,-0.1 0.317 76.9 134.4 83.5 2.0 7.1 25.1 44.7 97 127 A T - 0 0 74 -5,-0.1 -4,-2.8 1,-0.0 -1,-0.3 -0.676 57.6-125.4 -86.8 125.7 9.4 23.2 42.3 98 128 A V B -D 92 0B 23 -2,-0.4 2,-1.6 -6,-0.2 -6,-0.2 -0.486 18.8-129.1 -68.2 132.4 12.5 25.1 41.1 99 129 A R > + 0 0 23 -8,-2.9 3,-1.7 -2,-0.2 -8,-0.4 -0.586 38.1 165.4 -86.6 80.1 12.7 25.2 37.3 100 130 A A T 3 S+ 0 0 49 -2,-1.6 -1,-0.2 1,-0.3 -8,-0.0 0.699 71.7 68.4 -69.0 -14.6 16.2 24.0 36.8 101 131 A D T 3 S+ 0 0 88 -3,-0.2 2,-1.0 1,-0.1 -1,-0.3 0.511 79.2 84.3 -79.7 -6.0 15.3 23.5 33.1 102 132 A I < + 0 0 1 -3,-1.7 2,-0.3 -11,-0.1 -11,-0.2 -0.817 66.4 153.2-102.6 96.8 15.0 27.2 32.5 103 133 A A - 0 0 26 -2,-1.0 8,-0.2 1,-0.1 7,-0.1 -0.868 38.5-125.5-131.2 153.6 18.6 28.2 31.9 104 134 A G - 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