==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 09-APR-13 4BI6 . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GIARDIA INTESTINALIS; . AUTHOR A.TORRES-LARIOS,S.ENRIQUEZ-FLORES,H.REYES-VIVAS,J.ORIA-HERNA . 255 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 18 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 1 3 1 1 0 0 0 0 2 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 0 3 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 2 A P 0 0 116 0, 0.0 2,-0.3 0, 0.0 202,-0.0 0.000 360.0 360.0 360.0 29.1 -30.4 -21.4 -37.4 2 3 A A - 0 0 92 205,-0.0 2,-0.4 0, 0.0 204,-0.0 -0.716 360.0-157.5 -99.4 148.0 -27.7 -22.0 -40.1 3 4 A R - 0 0 47 -2,-0.3 205,-0.1 205,-0.0 204,-0.1 -0.961 22.3-110.6-129.0 139.4 -24.5 -19.9 -40.5 4 5 A R - 0 0 113 -2,-0.4 32,-0.1 203,-0.1 227,-0.0 -0.474 40.7-112.0 -66.6 129.2 -22.1 -19.3 -43.4 5 6 A P - 0 0 11 0, 0.0 32,-2.7 0, 0.0 2,-0.4 -0.285 36.2-161.6 -61.1 148.7 -18.7 -21.0 -43.0 6 7 A F E +ab 37 232A 0 225,-1.9 227,-1.3 30,-0.2 2,-0.4 -0.998 16.0 179.6-139.4 130.5 -15.8 -18.6 -42.5 7 8 A I E -ab 38 233A 1 30,-2.6 32,-2.4 -2,-0.4 2,-0.4 -0.989 6.8-175.0-132.4 128.7 -12.1 -18.9 -42.8 8 9 A G E -ab 39 234A 1 225,-2.6 227,-3.2 -2,-0.4 2,-0.6 -0.949 13.4-151.3-119.8 141.4 -9.6 -16.1 -42.2 9 10 A G E -ab 40 235A 1 30,-2.1 32,-3.5 -2,-0.4 2,-0.8 -0.953 6.9-160.9-112.5 115.5 -5.9 -16.1 -42.8 10 11 A N E -a 41 0A 6 225,-2.9 229,-0.2 -2,-0.6 230,-0.1 -0.849 6.6-173.0 -96.9 107.8 -3.9 -13.8 -40.5 11 12 A F - 0 0 1 30,-1.9 -1,-0.1 -2,-0.8 32,-0.1 0.664 22.3-169.7 -72.6 -15.5 -0.5 -13.2 -42.1 12 13 A K - 0 0 35 29,-0.5 2,-1.7 1,-0.2 -1,-0.2 -0.216 61.0 -20.0 51.5-147.3 0.7 -11.3 -39.0 13 14 A C S S+ 0 0 115 29,-0.1 2,-0.3 30,-0.1 -1,-0.2 -0.495 110.3 110.5 -91.2 69.0 4.0 -9.4 -39.4 14 15 A N + 0 0 79 -2,-1.7 29,-0.4 2,-0.0 2,-0.1 -0.987 38.3 58.6-140.3 149.4 5.2 -11.5 -42.4 15 16 A G - 0 0 42 -2,-0.3 2,-0.3 27,-0.1 3,-0.0 -0.149 47.0-129.6 119.3 149.8 5.8 -10.9 -46.0 16 17 A S > - 0 0 63 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.773 43.4 -98.7-116.5 172.2 7.7 -8.9 -48.6 17 18 A L H > S+ 0 0 93 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.934 125.8 49.0 -57.7 -45.2 6.1 -7.2 -51.6 18 19 A D H > S+ 0 0 121 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.894 111.0 50.1 -62.8 -41.4 7.1 -10.2 -53.8 19 20 A F H > S+ 0 0 61 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.911 109.8 50.2 -63.8 -42.6 5.7 -12.7 -51.4 20 21 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.4 0.945 112.2 47.9 -61.0 -45.6 2.4 -10.8 -51.1 21 22 A K H X S+ 0 0 114 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.953 118.0 40.2 -58.9 -48.2 2.0 -10.7 -54.9 22 23 A S H X S+ 0 0 73 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.881 118.8 44.6 -72.7 -38.9 2.9 -14.4 -55.3 23 24 A H H X S+ 0 0 14 -4,-3.1 4,-2.3 -5,-0.2 5,-0.2 0.907 113.5 48.5 -76.0 -41.2 0.9 -15.7 -52.4 24 25 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.4 5,-0.2 0.930 111.5 52.0 -62.1 -40.1 -2.2 -13.7 -53.0 25 26 A A H X S+ 0 0 45 -4,-1.8 4,-1.6 -5,-0.4 -2,-0.2 0.908 108.9 50.9 -61.2 -39.4 -2.1 -14.7 -56.6 26 27 A A H < S+ 0 0 44 -4,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.923 112.8 44.1 -66.5 -43.4 -1.9 -18.4 -55.6 27 28 A I H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.927 112.0 53.3 -65.2 -42.5 -4.9 -18.1 -53.2 28 29 A A H 3< S+ 0 0 12 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.804 102.8 58.9 -63.6 -27.5 -6.9 -16.2 -55.8 29 30 A A T 3< S+ 0 0 88 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.626 89.2 96.1 -74.8 -13.9 -6.2 -19.0 -58.4 30 31 A H S < S- 0 0 51 -3,-1.4 2,-0.5 -4,-0.5 -3,-0.0 -0.500 88.3-105.0 -80.1 146.1 -7.9 -21.5 -56.1 31 32 A K - 0 0 160 -2,-0.2 -1,-0.1 25,-0.0 -2,-0.1 -0.583 40.0-176.3 -68.7 118.1 -11.5 -22.4 -56.6 32 33 A I - 0 0 1 -2,-0.5 25,-0.1 -4,-0.1 6,-0.0 -0.975 19.0-136.1-118.4 117.4 -13.5 -20.7 -53.8 33 34 A P > - 0 0 27 0, 0.0 3,-1.1 0, 0.0 219,-0.0 -0.328 16.8-122.7 -69.7 156.8 -17.2 -21.5 -53.7 34 35 A D T 3 S+ 0 0 120 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.498 103.2 76.5 -75.2 -1.9 -19.7 -18.8 -53.1 35 36 A S T 3 S+ 0 0 62 -31,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.508 92.2 51.7 -89.2 -6.1 -21.0 -20.7 -50.1 36 37 A V S < S- 0 0 8 -3,-1.1 2,-0.5 -32,-0.1 -30,-0.2 -0.932 76.4-125.1-132.1 152.1 -18.1 -19.8 -47.8 37 38 A D E -a 6 0A 28 -32,-2.7 -30,-2.6 -2,-0.3 2,-0.5 -0.872 27.9-176.6 -96.8 126.6 -16.4 -16.5 -46.7 38 39 A V E +a 7 0A 3 -2,-0.5 22,-2.3 20,-0.4 2,-0.3 -0.987 7.8 168.2-125.5 121.0 -12.6 -16.5 -47.2 39 40 A V E -ac 8 60A 2 -32,-2.4 -30,-2.1 -2,-0.5 2,-0.4 -0.948 17.8-160.0-130.0 152.7 -10.5 -13.6 -46.1 40 41 A I E -ac 9 61A 0 20,-2.2 22,-3.0 -2,-0.3 -30,-0.2 -0.993 8.3-151.1-130.7 141.8 -6.8 -12.9 -45.7 41 42 A A E -a 10 0A 1 -32,-3.5 -30,-1.9 -2,-0.4 -29,-0.5 -0.829 16.1-174.8-118.1 91.2 -5.2 -10.2 -43.6 42 43 A P - 0 0 0 0, 0.0 22,-0.4 0, 0.0 5,-0.1 -0.280 42.6 -79.3 -69.7 166.2 -1.9 -8.9 -44.9 43 44 A S >> - 0 0 28 -29,-0.4 3,-2.0 -31,-0.1 4,-0.5 -0.316 49.4-104.9 -62.4 152.8 0.2 -6.4 -42.9 44 45 A A G >4 S+ 0 0 61 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.870 119.7 54.7 -53.8 -44.0 -1.0 -2.8 -43.2 45 46 A V G 34 S+ 0 0 116 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.670 110.2 49.9 -66.1 -13.7 1.8 -1.7 -45.6 46 47 A H G <> S+ 0 0 19 -3,-2.0 4,-2.6 1,-0.1 -1,-0.3 0.443 79.7 96.9-102.5 -2.9 0.8 -4.6 -47.9 47 48 A L H S+ 0 0 76 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.873 113.6 50.6 -66.9 -33.9 -2.9 -2.1 -51.5 49 50 A T H > S+ 0 0 29 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.917 111.8 48.6 -66.6 -41.5 -0.4 -4.6 -53.0 50 51 A A H X S+ 0 0 0 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.909 109.6 51.5 -63.7 -43.4 -2.7 -7.5 -51.9 51 52 A I H < S+ 0 0 61 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.919 110.2 49.5 -60.2 -43.7 -5.8 -5.8 -53.3 52 53 A A H < S+ 0 0 83 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.862 113.4 46.4 -65.5 -34.7 -4.1 -5.3 -56.7 53 54 A A H < S+ 0 0 21 -4,-1.9 2,-1.3 -5,-0.1 -1,-0.2 0.644 89.1 98.5 -80.2 -15.4 -3.0 -9.0 -56.8 54 55 A N < + 0 0 33 -4,-1.2 -29,-0.1 -3,-0.5 -1,-0.1 -0.605 35.8 160.2 -84.0 96.4 -6.4 -10.3 -55.8 55 56 A T + 0 0 113 -2,-1.3 -1,-0.2 -31,-0.1 2,-0.2 0.383 39.5 113.3 -93.1 1.2 -8.1 -11.3 -59.0 56 57 A S - 0 0 17 1,-0.1 -27,-0.1 -3,-0.1 -28,-0.1 -0.493 59.6-150.4 -75.8 145.5 -10.6 -13.5 -57.1 57 58 A K S S+ 0 0 193 -2,-0.2 -1,-0.1 -29,-0.2 -29,-0.0 0.472 99.0 35.7 -87.3 -6.6 -14.4 -12.7 -57.1 58 59 A Q S S+ 0 0 58 -30,-0.1 -20,-0.4 -21,-0.0 -1,-0.1 0.764 92.2 91.0-110.7 -47.1 -14.7 -14.4 -53.7 59 60 A L - 0 0 2 -31,-0.1 2,-0.4 -22,-0.1 -20,-0.2 -0.269 58.4-159.6 -58.0 133.6 -11.5 -13.8 -51.7 60 61 A R E -c 39 0A 90 -22,-2.3 -20,-2.2 28,-0.0 2,-0.4 -0.910 12.3-132.3-116.2 148.7 -11.5 -10.7 -49.5 61 62 A I E -c 40 0A 4 -2,-0.4 29,-0.6 -22,-0.2 28,-0.5 -0.812 27.0-172.7 -95.2 134.5 -8.7 -8.7 -48.0 62 63 A A E -d 90 0A 0 -22,-3.0 2,-0.3 -2,-0.4 29,-0.2 -0.842 20.9-120.0-122.6 158.7 -8.9 -7.8 -44.3 63 64 A A E -d 91 0A 4 27,-1.9 29,-2.6 -2,-0.3 -20,-0.1 -0.714 12.1-138.9 -95.3 155.1 -6.9 -5.6 -42.0 64 65 A Q S S- 0 0 46 -22,-0.4 2,-0.3 -2,-0.3 31,-0.3 0.555 80.7 -4.2 -85.7 -11.3 -5.1 -6.9 -38.9 65 66 A N - 0 0 30 28,-0.1 2,-0.3 29,-0.1 -1,-0.2 -0.962 56.4-166.4-173.0 159.3 -6.0 -4.0 -36.7 66 67 A V - 0 0 0 -2,-0.3 13,-0.2 26,-0.1 2,-0.1 -0.963 26.0-111.8-155.8 157.6 -7.7 -0.6 -36.6 67 68 A Y - 0 0 60 11,-3.0 13,-0.3 -2,-0.3 -2,-0.0 -0.377 20.6-121.2 -91.9 172.1 -7.7 2.3 -34.2 68 69 A L S S+ 0 0 32 -2,-0.1 2,-0.3 11,-0.1 11,-0.1 0.276 88.0 67.2-101.7 13.1 -10.7 3.6 -32.1 69 70 A E S S- 0 0 76 9,-0.2 11,-0.4 1,-0.1 -2,-0.2 -0.865 79.2-118.6-121.4 162.0 -10.7 7.2 -33.5 70 71 A G - 0 0 13 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 -0.013 66.2 -40.3 -77.5-169.4 -11.5 8.6 -36.9 71 72 A N S S+ 0 0 106 2,-0.1 2,-0.3 1,-0.0 -1,-0.2 -0.291 96.6 87.9 -55.5 142.1 -9.0 10.5 -39.0 72 73 A G S S- 0 0 58 -3,-0.1 2,-2.0 2,-0.1 7,-0.0 -0.989 84.9 -17.7 158.6-157.1 -6.9 12.8 -36.9 73 74 A A S S+ 0 0 92 -2,-0.3 2,-0.3 1,-0.1 -2,-0.1 -0.456 79.0 124.8 -87.9 71.5 -3.8 13.2 -34.8 74 75 A W > - 0 0 96 -2,-2.0 3,-2.3 3,-0.2 -1,-0.1 -0.669 49.5-152.9-130.6 73.4 -3.1 9.5 -34.2 75 76 A T T 3 S+ 0 0 148 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.204 78.9 11.3 -56.3 130.2 0.5 8.9 -35.4 76 77 A G T 3 S+ 0 0 76 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.452 105.4 112.8 83.8 0.9 1.0 5.3 -36.5 77 78 A E < - 0 0 66 -3,-2.3 2,-0.4 -11,-0.0 -1,-0.3 -0.794 56.2-140.3-114.5 152.2 -2.7 4.4 -36.4 78 79 A T - 0 0 40 -2,-0.3 -11,-3.0 -3,-0.1 2,-0.2 -0.889 16.2-143.1-107.0 135.9 -5.2 3.4 -39.1 79 80 A S > - 0 0 5 -2,-0.4 4,-1.6 -13,-0.2 3,-0.2 -0.623 23.4-119.9 -92.2 157.1 -8.8 4.6 -39.1 80 81 A V H > S+ 0 0 0 -11,-0.4 4,-2.8 -13,-0.3 5,-0.3 0.900 116.1 61.6 -53.5 -41.6 -11.9 2.7 -40.2 81 82 A E H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 102.2 49.9 -54.6 -44.1 -12.4 5.5 -42.8 82 83 A M H > S+ 0 0 89 -3,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.908 110.8 49.0 -62.1 -42.7 -9.0 4.6 -44.4 83 84 A L H <>S+ 0 0 3 -4,-1.6 5,-2.4 2,-0.2 3,-0.2 0.919 113.0 46.6 -64.9 -42.9 -9.9 0.9 -44.6 84 85 A Q H ><5S+ 0 0 73 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.886 106.9 57.7 -69.4 -36.0 -13.3 1.6 -46.1 85 86 A D H 3<5S+ 0 0 144 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.839 106.1 51.1 -59.6 -31.7 -11.7 4.1 -48.6 86 87 A M T 3<5S- 0 0 71 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.472 124.0-108.1 -84.2 -1.8 -9.5 1.2 -49.7 87 88 A G T < 5 + 0 0 46 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.570 65.9 151.4 88.9 11.6 -12.6 -1.0 -50.2 88 89 A L < + 0 0 10 -5,-2.4 -1,-0.3 -6,-0.2 -26,-0.1 -0.543 26.1 180.0 -81.7 142.3 -12.2 -3.3 -47.2 89 90 A K + 0 0 82 -28,-0.5 33,-3.3 -2,-0.2 2,-0.3 0.644 62.8 61.0-104.9 -25.6 -15.1 -4.9 -45.4 90 91 A H E +de 62 122A 5 -29,-0.6 -27,-1.9 31,-0.2 2,-0.3 -0.833 50.0 173.0-118.4 146.5 -13.2 -6.9 -42.7 91 92 A V E -de 63 123A 0 31,-1.9 33,-2.7 -2,-0.3 2,-0.4 -0.992 27.3-130.3-148.3 140.5 -10.9 -6.2 -39.8 92 93 A I E - e 0 124A 2 -29,-2.6 2,-0.4 -2,-0.3 33,-0.2 -0.752 30.0-174.1 -85.3 132.2 -9.4 -8.3 -37.0 93 94 A V E + e 0 125A 1 31,-2.8 33,-2.6 -2,-0.4 -28,-0.1 -0.995 57.7 11.7-131.4 136.0 -9.8 -6.7 -33.6 94 95 A G - 0 0 1 -2,-0.4 5,-0.1 31,-0.2 -1,-0.1 0.711 69.6-179.1 79.1 23.4 -8.4 -7.9 -30.2 95 96 A H >> - 0 0 8 -31,-0.3 4,-2.1 1,-0.2 3,-1.0 -0.265 37.0-119.7 -55.2 142.3 -6.0 -10.4 -31.4 96 97 A S H 3> S+ 0 0 4 1,-0.3 4,-2.7 2,-0.2 5,-0.4 0.735 111.6 63.2 -65.6 -20.2 -4.3 -11.9 -28.4 97 98 A E H 3>>S+ 0 0 53 2,-0.2 4,-1.6 3,-0.2 5,-1.1 0.909 109.2 42.2 -64.5 -38.3 -0.9 -10.7 -29.5 98 99 A R H <45S+ 0 0 65 -3,-1.0 6,-2.5 3,-0.2 4,-0.4 0.911 118.4 45.1 -74.0 -40.4 -2.2 -7.2 -29.2 99 100 A R H <5S+ 0 0 17 -4,-2.1 4,-0.3 4,-0.2 -2,-0.2 0.920 125.4 28.7 -66.2 -44.7 -4.0 -7.9 -25.9 100 101 A R H <5S+ 0 0 93 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.768 132.5 27.8 -95.9 -29.7 -1.2 -9.8 -24.2 101 102 A I T <5S+ 0 0 131 -4,-1.6 -3,-0.2 -5,-0.4 -2,-0.1 0.773 128.4 36.1-100.3 -36.0 2.0 -8.5 -25.7 102 103 A M S - 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