==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)19-APR-95 1TTI . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR K.V.RADHA KISHAN,R.K.WIERENGA . 236 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 15.7 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 . 21 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 1 0 2 1 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 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 S 0 0 173 0, 0.0 212,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.0 8.6 -2.4 63.2 2 3 A K - 0 0 76 1,-0.1 192,-0.1 190,-0.0 190,-0.1 -0.547 360.0-132.4 -79.8 143.1 10.7 -1.0 60.4 3 4 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 190,-0.1 -0.148 56.4 -55.5 -77.8 175.1 14.3 -0.1 60.7 4 5 A Q - 0 0 59 188,-0.1 27,-0.2 1,-0.1 212,-0.0 -0.341 63.4-122.1 -52.9 128.1 15.6 3.1 59.4 5 6 A P - 0 0 9 0, 0.0 27,-2.4 0, 0.0 2,-0.4 -0.275 21.5-149.4 -70.6 162.3 14.7 3.5 55.7 6 7 A I E -ab 32 217A 0 210,-1.9 212,-2.5 25,-0.2 2,-0.6 -0.991 12.7-171.7-134.1 127.7 17.4 4.0 53.2 7 8 A A E -ab 33 218A 0 25,-2.3 27,-2.2 -2,-0.4 2,-0.5 -0.977 19.0-172.9-116.3 113.6 17.2 5.9 49.9 8 9 A A E -ab 34 219A 2 210,-1.5 212,-3.1 -2,-0.6 2,-0.6 -0.941 18.3-146.7-117.1 132.1 20.3 5.4 47.9 9 10 A A E -ab 35 220A 0 25,-4.2 27,-4.2 -2,-0.5 2,-0.9 -0.807 7.1-159.6 -94.5 119.6 21.3 7.1 44.7 10 11 A N E -a 36 0A 5 210,-2.6 2,-1.1 -2,-0.6 214,-0.2 -0.855 10.4-160.2 -97.4 98.7 23.4 4.9 42.3 11 12 A W 0 0 5 25,-2.0 27,-0.3 -2,-0.9 210,-0.1 -0.706 360.0 360.0 -89.7 92.8 25.2 7.4 40.0 12 13 A K 0 0 125 -2,-1.1 25,-0.1 25,-0.1 -2,-0.0 -0.514 360.0 360.0 -79.6 360.0 26.2 5.4 36.9 13 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 14 20 A S > 0 0 106 0, 0.0 4,-0.9 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -43.5 24.7 18.9 36.4 15 21 A L H >> + 0 0 29 2,-0.2 4,-2.5 1,-0.1 3,-0.6 0.896 360.0 53.8 -67.7 -40.5 25.2 16.4 39.1 16 22 A S H 3> S+ 0 0 39 1,-0.3 4,-1.1 2,-0.3 -1,-0.1 0.806 98.6 59.2 -65.9 -25.4 26.1 19.6 41.1 17 23 A E H 3> S+ 0 0 144 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.924 109.4 46.9 -70.0 -26.4 22.8 21.0 40.1 18 24 A L H < S+ 0 0 2 -4,-3.0 3,-2.6 1,-0.3 -2,-0.2 0.941 111.0 54.4 -47.2 -55.1 19.4 17.8 47.7 23 29 A N H 3< S+ 0 0 40 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.788 110.6 44.1 -51.3 -37.9 21.3 20.2 49.8 24 30 A S T 3< S+ 0 0 94 -4,-1.7 2,-0.3 -3,-0.4 -1,-0.3 0.231 94.6 107.5 -96.9 14.9 18.5 22.6 49.9 25 31 A T < - 0 0 25 -3,-2.6 2,-0.7 -5,-0.1 -3,-0.0 -0.701 65.6-130.4 -96.7 147.5 15.8 20.0 50.5 26 32 A S - 0 0 100 -2,-0.3 2,-0.7 25,-0.0 -2,-0.1 -0.837 19.7-174.1-102.7 114.6 14.0 19.5 53.8 27 33 A I + 0 0 12 -2,-0.7 4,-0.1 1,-0.1 -2,-0.0 -0.913 4.6 177.5-107.5 109.9 13.9 15.9 55.1 28 34 A N + 0 0 116 -2,-0.7 -1,-0.1 2,-0.1 2,-0.1 0.689 55.2 60.4 -84.4 -30.9 11.7 15.7 58.2 29 35 A H S S- 0 0 32 1,-0.1 2,-0.8 205,-0.0 208,-0.0 -0.401 94.1 -86.4 -97.6 175.3 11.8 12.0 59.0 30 36 A D + 0 0 92 -2,-0.1 2,-0.3 207,-0.1 -2,-0.1 -0.758 68.3 131.2 -89.5 111.2 14.4 9.6 59.9 31 37 A V - 0 0 2 -2,-0.8 2,-0.5 -27,-0.2 -25,-0.2 -0.948 50.4-130.8-152.7 141.5 15.9 8.2 56.7 32 38 A Q E -a 6 0A 40 -27,-2.4 -25,-2.3 -2,-0.3 2,-0.4 -0.921 22.2-155.6-102.3 128.0 19.4 7.8 55.7 33 39 A C E -ac 7 54A 0 20,-2.1 22,-1.7 -2,-0.5 2,-0.4 -0.832 9.5-170.4-100.9 142.5 20.2 9.1 52.2 34 40 A V E -ac 8 55A 1 -27,-2.2 -25,-4.2 -2,-0.4 2,-0.5 -0.997 13.2-165.5-138.5 133.7 23.1 7.7 50.2 35 41 A V E -ac 9 56A 0 20,-2.0 22,-2.0 -2,-0.4 2,-0.5 -0.980 12.8-162.8-118.3 105.6 24.7 9.0 47.0 36 42 A A E +ac 10 57A 2 -27,-4.2 -25,-2.0 -2,-0.5 2,-0.3 -0.798 18.6 180.0 -88.5 131.1 27.0 6.4 45.5 37 43 A S - 0 0 1 20,-2.3 2,-0.3 -2,-0.5 22,-0.2 -0.841 29.0 -99.3-128.6 171.2 29.3 7.9 42.9 38 44 A T >> - 0 0 51 -2,-0.3 3,-1.7 -27,-0.3 4,-1.0 -0.637 44.4-102.2 -87.6 147.4 32.1 7.0 40.5 39 45 A F H 3> S+ 0 0 147 1,-0.3 4,-0.5 -2,-0.3 3,-0.2 0.717 120.6 58.7 -37.9 -32.0 35.7 7.6 41.4 40 46 A V H 34 S+ 0 0 102 1,-0.2 4,-0.3 2,-0.2 3,-0.3 0.889 113.5 33.5 -67.5 -46.3 35.6 10.7 39.1 41 47 A H H <> S+ 0 0 63 -3,-1.7 4,-2.0 1,-0.2 5,-0.3 0.377 92.9 96.3 -92.5 -0.5 32.8 12.5 40.9 42 48 A L H X S+ 0 0 2 -4,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.911 88.1 42.2 -58.0 -41.8 33.8 11.2 44.3 43 49 A A H X S+ 0 0 50 -4,-0.5 4,-1.5 -3,-0.3 -1,-0.2 0.825 114.2 51.2 -72.7 -38.2 35.7 14.4 45.1 44 50 A M H >> S+ 0 0 47 -4,-0.3 3,-2.2 2,-0.2 4,-1.5 0.974 114.3 42.8 -57.2 -71.8 33.1 16.7 43.7 45 51 A T H 3X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.3 -2,-0.2 0.746 107.2 63.7 -41.9 -38.3 30.4 15.1 45.6 46 52 A K H 3< S+ 0 0 102 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.908 113.4 31.2 -61.4 -39.4 32.6 15.0 48.7 47 53 A E H << S+ 0 0 154 -3,-2.2 -2,-0.2 -4,-1.5 -1,-0.2 0.957 122.4 44.6 -82.1 -53.6 32.9 18.7 48.9 48 54 A R H < S+ 0 0 91 -4,-1.5 -3,-0.2 -5,-0.2 2,-0.2 0.845 92.1 85.1 -58.2 -50.7 29.5 19.9 47.5 49 55 A L < + 0 0 19 -4,-1.6 -29,-0.1 -5,-0.2 7,-0.1 -0.412 44.8 149.0 -61.6 129.0 27.1 17.5 49.3 50 56 A S + 0 0 88 -31,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.595 14.1 128.3-141.4 -12.9 26.3 18.8 52.8 51 57 A H > - 0 0 21 -32,-0.2 3,-2.1 1,-0.2 -28,-0.1 -0.294 58.0-134.8 -49.4 119.5 22.8 17.8 53.9 52 58 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.2 0, 0.0 -29,-0.0 0.706 103.9 59.5 -54.7 -20.7 23.3 16.2 57.3 53 59 A K T 3 S+ 0 0 57 -21,-0.1 -20,-2.1 2,-0.0 2,-0.4 0.264 96.2 81.7 -91.2 13.4 20.9 13.4 56.3 54 60 A F E < +c 33 0A 18 -3,-2.1 2,-0.3 -22,-0.2 -20,-0.2 -0.955 50.9 179.9-124.3 145.4 23.2 12.4 53.4 55 61 A V E -c 34 0A 43 -22,-1.7 -20,-2.0 -2,-0.4 2,-0.4 -0.866 23.3-125.1-127.7 163.3 26.3 10.2 53.0 56 62 A I E -c 35 0A 22 -2,-0.3 21,-0.8 -22,-0.2 20,-0.8 -0.897 21.8-167.9-112.7 144.0 28.5 9.3 50.0 57 63 A A E -cd 36 77A 0 -22,-2.0 -20,-2.3 -2,-0.4 21,-0.2 -0.975 11.6-138.4-126.4 146.7 29.3 5.7 49.0 58 64 A A E - d 0 78A 1 19,-1.8 21,-1.4 -2,-0.4 -20,-0.1 -0.201 17.8-127.7 -84.8-175.4 31.8 4.4 46.5 59 65 A Q S S- 0 0 45 -22,-0.2 2,-4.4 19,-0.2 -1,-0.1 -0.129 70.2 -15.9-117.6-151.1 31.4 1.5 44.1 60 66 A N S S+ 0 0 16 1,-0.2 2,-0.9 -2,-0.1 20,-0.1 -0.119 75.4 150.5 -62.9 67.0 33.4 -1.6 43.4 61 67 A A + 0 0 23 -2,-4.4 6,-0.3 18,-0.1 -1,-0.2 -0.398 16.9 164.2 -88.6 49.8 36.4 -0.4 45.2 62 68 A G + 0 0 36 -2,-0.9 2,-0.2 4,-0.1 4,-0.1 -0.477 24.8 87.1 -74.7 148.9 37.8 -3.8 46.4 63 69 A N S > S- 0 0 97 -2,-0.1 4,-1.8 36,-0.1 5,-0.1 -0.469 76.0-107.5 140.0 159.3 41.4 -3.9 47.6 64 70 A A H > S+ 0 0 75 2,-0.2 4,-2.0 -2,-0.2 5,-0.1 0.924 122.4 36.7 -79.3 -45.3 43.1 -3.4 50.9 65 71 A D H > S+ 0 0 117 2,-0.2 4,-2.5 3,-0.1 5,-0.2 0.923 114.7 58.2 -69.9 -41.2 44.7 -0.2 49.9 66 72 A G H >> S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 3,-0.9 0.953 108.1 45.8 -45.2 -65.0 41.6 0.8 48.0 67 80 A L H 3X S+ 0 0 6 -4,-1.8 4,-1.8 -6,-0.3 -1,-0.2 0.813 111.9 53.3 -42.4 -55.0 39.5 0.4 51.1 68 81 A A H 3X S+ 0 0 59 -4,-2.0 4,-2.0 1,-0.2 -1,-0.3 0.803 109.1 45.3 -54.8 -46.0 42.0 2.3 53.2 69 82 A S H S+ 0 0 2 -4,-2.0 5,-2.0 1,-0.3 -2,-0.2 0.888 113.1 44.8 -52.5 -43.5 38.4 5.7 50.5 71 84 A K H <5S+ 0 0 73 -4,-1.8 3,-0.4 3,-0.3 -1,-0.3 0.891 115.6 46.2 -65.7 -44.7 38.2 5.7 54.3 72 85 A D H <5S+ 0 0 140 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.874 108.5 53.7 -68.2 -38.1 41.0 8.1 54.5 73 86 A F T <5S- 0 0 63 -4,-4.9 -1,-0.3 2,-0.1 -2,-0.2 0.546 130.7-106.1 -66.4 -14.5 39.5 10.2 51.8 74 87 A G T 5S+ 0 0 41 -3,-0.4 2,-0.4 -5,-0.3 -3,-0.3 0.958 72.6 142.9 81.7 56.7 36.6 9.9 54.2 75 88 A V < + 0 0 1 -5,-2.0 -1,-0.3 -8,-0.2 -18,-0.1 -0.997 15.3 168.1-125.0 126.8 34.3 7.4 52.4 76 89 A N + 0 0 66 -20,-0.8 33,-3.7 -2,-0.4 2,-0.4 0.444 53.0 66.0-120.1 -8.8 32.5 5.0 54.8 77 90 A W E -de 57 109A 17 -21,-0.8 -19,-1.8 31,-0.3 2,-0.3 -0.901 59.1-168.1-115.4 148.7 29.9 3.3 52.7 78 91 A I E -de 58 110A 2 31,-2.4 33,-2.7 -2,-0.4 2,-0.6 -0.992 18.7-142.6-141.8 140.5 30.3 1.0 49.8 79 92 A V E + e 0 111A 2 -21,-1.4 2,-0.4 -2,-0.3 3,-0.2 -0.913 32.5 177.7 -95.5 112.1 28.1 -0.5 47.1 80 93 A L E + e 0 112A 3 31,-2.7 33,-2.5 -2,-0.6 16,-0.0 -0.930 50.7 23.2-120.2 150.0 29.2 -4.1 46.4 81 94 A G S S+ 0 0 1 -2,-0.4 -1,-0.2 31,-0.2 5,-0.1 0.645 72.0 169.0 81.2 21.0 27.9 -6.9 44.1 82 95 A H >> - 0 0 12 -3,-0.2 4,-1.5 1,-0.1 3,-0.9 -0.339 47.5-113.6 -66.6 143.7 26.1 -4.7 41.6 83 96 A S H 3> S+ 0 0 30 1,-0.3 4,-2.5 2,-0.2 5,-0.4 0.844 118.2 60.0 -47.3 -40.3 25.0 -6.3 38.4 84 97 A E H 3>>S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 5,-1.0 0.963 107.8 47.1 -51.6 -44.0 27.4 -4.2 36.5 85 98 A R H <45S+ 0 0 48 -3,-0.9 6,-1.3 1,-0.3 4,-0.5 0.839 114.7 43.4 -62.7 -49.1 30.1 -5.9 38.6 86 99 A R H <5S+ 0 0 45 -4,-1.5 -1,-0.3 4,-0.3 -2,-0.2 0.664 123.8 36.6 -71.3 -31.2 28.9 -9.4 38.2 87 100 A W H <5S+ 0 0 180 -4,-2.5 3,-0.3 -5,-0.3 -2,-0.2 0.903 127.4 26.6 -93.2 -66.5 28.2 -9.0 34.6 88 101 A Y T <5S+ 0 0 156 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.1 0.799 132.5 36.5 -70.1 -29.5 30.9 -6.8 33.1 89 102 A Y S - 0 0 67 -2,-0.4 4,-3.7 1,-0.1 5,-0.2 -0.509 27.7-104.5 -90.4 164.7 31.3 -14.4 41.4 93 106 A N H > S+ 0 0 36 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.901 126.3 51.6 -54.3 -34.6 29.2 -14.7 44.5 94 107 A E H > S+ 0 0 105 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.876 110.6 46.4 -71.7 -38.7 32.3 -15.9 46.1 95 108 A I H > S+ 0 0 76 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.909 111.6 51.5 -65.2 -47.0 34.2 -12.9 44.9 96 109 A V H X S+ 0 0 0 -4,-3.7 4,-2.5 1,-0.2 -2,-0.2 0.892 110.7 49.2 -53.5 -48.0 31.4 -10.5 45.9 97 110 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.839 105.5 56.5 -61.2 -40.8 31.4 -12.0 49.4 98 111 A D H X S+ 0 0 98 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.912 111.1 44.7 -60.3 -40.9 35.1 -11.7 49.8 99 112 A K H X S+ 0 0 36 -4,-1.8 4,-3.0 1,-0.2 3,-0.3 0.913 110.4 53.7 -69.1 -48.3 34.8 -8.0 49.1 100 113 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.871 110.3 47.7 -53.7 -40.3 31.9 -7.5 51.3 101 114 A A H X S+ 0 0 25 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.815 111.3 50.8 -76.7 -24.8 33.8 -9.1 54.1 102 115 A A H X S+ 0 0 40 -4,-1.2 4,-0.9 -3,-0.3 -2,-0.2 0.858 109.9 49.5 -78.0 -37.9 36.8 -7.0 53.4 103 116 A A H ><>S+ 0 0 1 -4,-3.0 3,-1.8 2,-0.2 5,-1.6 0.999 111.8 48.5 -60.9 -61.9 34.7 -3.9 53.4 104 117 A V H ><5S+ 0 0 9 -4,-2.4 3,-2.7 1,-0.3 -2,-0.2 0.884 107.7 53.3 -41.9 -54.8 33.1 -4.8 56.7 105 118 A A H 3<5S+ 0 0 91 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.775 108.9 52.6 -56.2 -22.9 36.4 -5.6 58.5 106 119 A S T <<5S- 0 0 57 -3,-1.8 -1,-0.3 -4,-0.9 -2,-0.2 0.383 125.7-101.2 -95.9 2.9 37.6 -2.2 57.5 107 120 A G T < 5 + 0 0 21 -3,-2.7 -3,-0.2 1,-0.3 -2,-0.1 0.427 69.6 148.4 96.8 1.5 34.6 -0.4 58.9 108 121 A F < - 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