==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-AUG-06 2I4T . COMPND 2 MOLECULE: TRICHOMONAS VAGINALIS PURINE NUCLEOSIDE PHOSPHORY . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHOMONAS VAGINALIS; . AUTHOR A.RINALDO-MATTHIS,V.L.SCHRAMM,S.C.ALMO . 689 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25499.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 497 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 103 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 10.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 40 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.5 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 2 1 2 3 0 0 2 4 0 6 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 6 0 0 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 9 4 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 1 0 0 1 1 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 A 0 0 93 0, 0.0 5,-0.2 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 -23.8 -94.7 30.9 14.2 2 2 A T B > -A 5 0A 22 3,-2.5 3,-0.7 5,-0.1 444,-0.1 -0.925 360.0-106.3-132.6 169.3 -92.5 27.7 14.1 3 3 A P T 3 S+ 0 0 35 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.778 122.6 34.2 -65.0 -17.9 -90.6 25.8 16.7 4 4 A H T 3 S+ 0 0 8 1,-0.2 2,-0.4 67,-0.1 41,-0.1 0.401 118.7 50.4-113.0 -0.3 -87.3 27.2 15.4 5 5 A N B < -A 2 0A 1 -3,-0.7 -3,-2.5 2,-0.1 -1,-0.2 -0.967 50.0-170.1-146.7 118.9 -88.5 30.7 14.2 6 6 A S + 0 0 69 -2,-0.4 34,-0.1 -5,-0.2 2,-0.1 0.241 56.4 108.2 -97.3 16.8 -90.4 33.3 16.1 7 7 A A - 0 0 2 1,-0.0 2,-0.3 3,-0.0 -5,-0.1 -0.347 59.6-136.3 -78.5 167.2 -91.1 35.6 13.1 8 8 A Q > - 0 0 130 1,-0.1 3,-2.1 -7,-0.1 4,-0.3 -0.797 40.4 -66.7-115.7 172.3 -94.5 36.0 11.5 9 9 A V T 3 S+ 0 0 99 -2,-0.3 -1,-0.1 1,-0.3 71,-0.1 -0.206 124.3 30.1 -53.3 144.9 -95.4 36.1 7.9 10 10 A G T 3 S+ 0 0 66 70,-0.3 -1,-0.3 2,-0.2 70,-0.0 -0.210 92.1 102.1 94.3 -41.6 -94.1 39.2 6.2 11 11 A D S < S+ 0 0 50 -3,-2.1 2,-0.4 28,-0.1 -2,-0.1 0.670 73.3 60.4 -53.7 -21.1 -91.1 39.2 8.5 12 12 A F S S- 0 0 14 -4,-0.3 -2,-0.2 68,-0.2 37,-0.1 -0.880 82.6-124.7-109.5 145.2 -88.7 37.7 5.9 13 13 A A - 0 0 11 -2,-0.4 70,-0.1 2,-0.3 44,-0.1 -0.121 33.0-105.0 -68.6 177.0 -87.8 39.2 2.6 14 14 A E S S+ 0 0 101 68,-0.2 69,-3.4 1,-0.1 70,-1.9 0.730 111.0 51.9 -78.8 -22.2 -88.3 37.1 -0.5 15 15 A T E S-b 84 0B 3 41,-0.2 43,-1.9 68,-0.2 2,-0.5 -0.973 71.4-174.0-114.7 127.5 -84.6 36.6 -0.7 16 16 A V E -bc 85 58B 0 68,-2.3 70,-1.5 -2,-0.5 2,-0.5 -0.992 13.4-152.7-125.7 125.2 -82.8 35.3 2.3 17 17 A L E -bc 86 59B 1 41,-3.0 43,-1.7 -2,-0.5 2,-0.4 -0.859 21.3-170.7 -92.4 128.1 -79.0 34.9 2.6 18 18 A M E +bc 87 60B 0 68,-2.2 70,-2.8 -2,-0.5 2,-0.3 -0.946 11.1 176.8-124.7 140.1 -78.0 32.2 5.1 19 19 A C E - c 0 61B 0 41,-1.5 43,-1.9 -2,-0.4 44,-0.4 -0.881 37.3-114.9-135.3 170.0 -74.7 31.2 6.5 20 20 A G S S+ 0 0 5 -2,-0.3 43,-1.3 41,-0.2 -1,-0.1 0.926 95.9 69.4 -75.4 -44.6 -73.7 28.6 9.1 21 21 A D >> - 0 0 28 1,-0.2 4,-1.8 40,-0.1 3,-1.4 -0.631 66.9-155.9 -78.7 113.6 -72.4 30.9 11.8 22 22 A P H 3> S+ 0 0 15 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.906 96.4 55.1 -64.5 -34.3 -75.1 33.0 13.4 23 23 A L H 3> S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.745 104.2 54.4 -63.1 -23.4 -72.5 35.7 14.4 24 24 A R H <> S+ 0 0 32 -3,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.868 105.8 53.2 -74.6 -36.2 -71.6 36.0 10.7 25 25 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 3,-0.3 0.955 110.7 46.4 -59.0 -51.9 -75.3 36.6 10.0 26 26 A K H X S+ 0 0 85 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.897 109.4 54.3 -54.5 -45.7 -75.2 39.3 12.6 27 27 A L H X S+ 0 0 66 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.850 110.7 46.7 -60.1 -31.9 -72.0 40.7 11.1 28 28 A I H X>S+ 0 0 0 -4,-1.9 4,-2.9 -3,-0.3 5,-0.9 0.862 109.4 53.3 -77.8 -34.5 -73.7 40.9 7.7 29 29 A A H X5S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.929 113.6 42.3 -68.0 -41.8 -76.8 42.5 9.1 30 30 A E H <5S+ 0 0 115 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.749 122.7 38.6 -75.5 -25.8 -74.8 45.3 10.7 31 31 A T H <5S+ 0 0 68 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.743 128.8 18.4-100.1 -29.3 -72.5 45.8 7.8 32 32 A Y H <5S+ 0 0 29 -4,-2.9 2,-0.5 -5,-0.1 -3,-0.2 0.633 105.7 72.2-120.5 -19.9 -74.6 45.4 4.7 33 33 A L << - 0 0 10 -5,-0.9 2,-0.5 -4,-0.8 19,-0.2 -0.824 68.5-139.5 -95.8 136.5 -78.2 45.8 5.5 34 34 A E E S+D 51 0B 107 17,-2.5 17,-1.6 -2,-0.5 -4,-0.1 -0.833 82.6 6.2 -90.8 140.4 -79.7 49.1 6.4 35 35 A N E S- 0 0 144 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.953 83.2-165.0 55.6 64.2 -82.2 49.2 9.2 36 36 A P E - 0 0 53 0, 0.0 2,-0.4 0, 0.0 14,-0.2 -0.594 5.5-160.6 -74.8 125.0 -81.9 45.7 10.1 37 37 A K E -D 49 0B 162 12,-2.7 12,-2.1 -2,-0.3 2,-0.8 -0.975 21.5-126.1-112.5 131.8 -84.6 44.4 12.4 38 38 A L E +D 48 0B 89 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.662 37.1 169.1 -70.6 109.9 -83.9 41.3 14.4 39 39 A V E + 0 0 21 8,-2.5 2,-0.3 -2,-0.8 9,-0.2 0.613 62.7 23.6-101.0 -11.5 -86.9 39.1 13.3 40 40 A N E +D 47 0B 1 7,-1.6 7,-2.8 -35,-0.1 -1,-0.3 -0.924 46.2 156.5-154.1 122.0 -85.8 35.7 14.8 41 41 A N > + 0 0 54 -2,-0.3 3,-2.4 5,-0.2 -36,-0.1 0.241 28.1 141.4-131.6 20.8 -83.4 34.8 17.6 42 42 A V G > S+ 0 0 15 1,-0.3 3,-1.9 2,-0.2 5,-0.1 -0.365 84.1 4.4 -59.7 135.4 -84.7 31.4 18.6 43 43 A R G 3 S- 0 0 29 1,-0.3 -1,-0.3 403,-0.1 252,-0.0 0.661 125.9 -76.2 60.8 20.8 -81.6 29.3 19.4 44 44 A G G < S+ 0 0 11 -3,-2.4 -1,-0.3 209,-0.1 -2,-0.2 0.644 90.6 145.4 70.8 19.9 -79.4 32.3 18.9 45 45 A I < - 0 0 8 -3,-1.9 16,-2.4 -41,-0.1 -4,-0.1 0.490 47.2-140.9 -78.9 -8.2 -79.8 31.9 15.2 46 46 A Q - 0 0 20 14,-0.2 2,-0.5 1,-0.2 -5,-0.2 0.911 24.4-178.3 53.5 67.1 -79.8 35.7 14.3 47 47 A G E +D 40 0B 0 -7,-2.8 -8,-2.5 13,-0.2 -7,-1.6 -0.833 5.6 178.4 -97.9 129.5 -82.3 36.4 11.6 48 48 A Y E -DE 38 59B 24 11,-2.8 11,-2.3 -2,-0.5 2,-0.4 -0.921 18.2-157.6-126.1 148.9 -82.6 39.9 10.3 49 49 A T E +DE 37 58B 28 -12,-2.1 -12,-2.7 -2,-0.3 9,-0.2 -0.981 35.8 117.7-119.7 141.1 -84.5 41.8 7.7 50 50 A G E - E 0 57B 8 7,-2.3 7,-2.3 -2,-0.4 2,-0.3 -0.794 52.0 -81.7-162.9-146.5 -83.5 45.1 6.1 51 51 A T E -DE 34 56B 47 -17,-1.6 -17,-2.5 5,-0.2 2,-0.4 -0.929 15.9-161.1-137.6 164.6 -82.6 46.5 2.8 52 52 A Y E > S- E 0 55B 26 3,-2.9 3,-1.5 -2,-0.3 -19,-0.1 -0.910 85.5 -15.4-146.0 113.8 -79.7 46.8 0.4 53 53 A K T 3 S- 0 0 131 -2,-0.4 -20,-0.0 1,-0.3 -1,-0.0 0.917 128.7 -54.3 53.5 46.2 -79.8 49.5 -2.3 54 54 A G T 3 S+ 0 0 61 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 0.119 116.0 115.4 78.2 -20.7 -83.5 49.9 -1.7 55 55 A K E < S- E 0 52B 86 -3,-1.5 -3,-2.9 1,-0.1 -1,-0.2 -0.657 71.5-113.4 -84.3 137.2 -84.2 46.2 -2.2 56 56 A P E + E 0 51B 52 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.396 43.5 169.4 -67.5 139.9 -85.6 44.1 0.7 57 57 A I E - E 0 50B 3 -7,-2.3 -7,-2.3 -2,-0.1 2,-0.3 -0.985 18.1-160.3-154.5 140.2 -83.2 41.4 2.0 58 58 A S E -cE 16 49B 0 -43,-1.9 -41,-3.0 -2,-0.3 2,-0.3 -0.855 1.8-166.8-119.2 164.9 -82.9 39.0 4.9 59 59 A V E +cE 17 48B 0 -11,-2.3 -11,-2.8 -2,-0.3 2,-0.3 -0.997 14.6 160.8-144.9 141.8 -80.0 37.1 6.5 60 60 A M E -c 18 0B 0 -43,-1.7 -41,-1.5 -2,-0.3 -13,-0.2 -0.989 36.4-109.1-154.0 157.6 -80.1 34.2 9.1 61 61 A G E -c 19 0B 0 -16,-2.4 -41,-0.2 -2,-0.3 -40,-0.1 -0.508 18.8-168.4 -82.1 160.1 -77.8 31.5 10.3 62 62 A H - 0 0 0 -43,-1.9 10,-0.2 1,-0.2 -42,-0.2 0.368 32.8-126.6-119.6 2.0 -78.5 27.8 9.5 63 63 A G - 0 0 18 -43,-1.3 2,-0.5 -44,-0.4 -1,-0.2 -0.096 44.7 -56.4 70.4 176.9 -76.2 25.9 11.8 64 64 A M S S+ 0 0 12 -44,-0.1 236,-0.4 232,-0.1 4,-0.3 -0.816 95.6 22.9 -98.0 129.9 -73.7 23.3 10.5 65 65 A G S >> S- 0 0 0 -2,-0.5 4,-2.3 115,-0.2 3,-0.7 0.174 85.6 -79.0 105.5 149.0 -75.0 20.3 8.5 66 66 A L H 3> S+ 0 0 0 114,-0.3 4,-2.6 1,-0.3 5,-0.2 0.893 121.4 58.4 -48.3 -48.8 -77.8 19.1 6.2 67 67 A P H 3> S+ 0 0 1 0, 0.0 4,-1.2 0, 0.0 324,-0.3 0.925 110.6 41.5 -56.2 -39.8 -80.1 18.3 9.1 68 68 A S H <> S+ 0 0 2 -3,-0.7 4,-2.1 228,-0.3 3,-0.5 0.935 114.7 47.7 -71.9 -47.2 -80.0 21.9 10.4 69 69 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.840 107.7 60.9 -67.0 -24.8 -80.2 23.7 7.1 70 70 A C H X S+ 0 0 5 -4,-2.6 4,-1.3 -5,-0.3 -1,-0.2 0.859 104.7 47.9 -64.6 -34.6 -83.1 21.3 6.3 71 71 A I H X S+ 0 0 2 -4,-1.2 4,-1.9 -3,-0.5 -2,-0.2 0.966 118.5 38.1 -68.4 -51.6 -85.1 22.6 9.3 72 72 A Y H X S+ 0 0 6 -4,-2.1 4,-2.7 -10,-0.2 5,-0.2 0.925 115.3 50.6 -75.7 -40.5 -84.5 26.3 8.5 73 73 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 5,-0.3 0.926 111.8 47.6 -61.6 -40.5 -84.8 26.1 4.7 74 74 A E H X S+ 0 0 26 -4,-1.3 4,-1.9 -5,-0.3 5,-0.3 0.959 111.6 50.8 -68.3 -44.5 -88.1 24.2 4.7 75 75 A E H X>S+ 0 0 4 -4,-1.9 5,-1.5 -5,-0.2 4,-1.5 0.939 111.8 48.0 -52.9 -49.8 -89.6 26.5 7.3 76 76 A L H <5S+ 0 0 0 -4,-2.7 6,-1.8 1,-0.2 4,-0.3 0.953 116.0 41.7 -61.0 -49.4 -88.6 29.6 5.2 77 77 A Y H <5S+ 0 0 10 -4,-2.4 -1,-0.2 4,-0.2 -2,-0.2 0.802 126.9 33.4 -67.8 -24.6 -90.0 28.3 1.9 78 78 A S H <5S+ 0 0 43 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.2 0.931 129.9 23.5-104.2 -65.7 -93.1 26.9 3.5 79 79 A T T <5S+ 0 0 50 -4,-1.5 -3,-0.2 -5,-0.3 -2,-0.1 0.922 131.4 37.4 -63.5 -48.9 -94.2 29.1 6.4 80 80 A Y S S- 0 0 23 81,-1.4 3,-1.7 80,-0.8 112,-0.1 -0.280 80.7-128.6 -46.7 134.4 -59.5 20.7 -6.9 96 96 A M T 3 S+ 0 0 94 1,-0.3 -1,-0.2 75,-0.1 80,-0.0 0.710 104.2 59.3 -70.8 -20.3 -55.8 21.4 -6.9 97 97 A D T 3 S+ 0 0 130 2,-0.0 2,-0.4 79,-0.0 -1,-0.3 0.363 88.0 88.2 -90.0 6.4 -56.2 24.7 -8.9 98 98 A I < - 0 0 3 -3,-1.7 2,-0.3 78,-0.1 3,-0.0 -0.885 61.6-168.4-104.8 135.9 -58.4 26.3 -6.2 99 99 A H > - 0 0 79 -2,-0.4 3,-1.7 1,-0.1 103,-0.3 -0.775 32.6 -66.0-126.5 164.1 -56.7 28.2 -3.4 100 100 A T T 3 S+ 0 0 45 -2,-0.3 103,-0.2 1,-0.3 -1,-0.1 -0.162 118.6 12.4 -50.3 134.5 -57.4 29.7 -0.1 101 101 A R T 3 S+ 0 0 49 101,-3.9 -1,-0.3 1,-0.3 2,-0.1 0.642 92.3 135.9 72.9 14.8 -59.8 32.7 -0.2 102 102 A D < - 0 0 46 -3,-1.7 100,-2.2 100,-0.1 2,-0.5 -0.473 56.9-117.4 -83.8 163.8 -60.7 31.9 -3.8 103 103 A I E -hI 148 201B 7 44,-0.5 46,-2.3 98,-0.2 2,-0.4 -0.929 27.5-166.5-116.1 128.1 -64.4 32.1 -4.5 104 104 A V E -hI 149 200B 0 96,-2.1 96,-3.2 -2,-0.5 2,-0.4 -0.865 7.3-162.6-113.6 141.0 -66.5 29.2 -5.5 105 105 A I E -hI 150 199B 0 44,-2.9 46,-2.0 -2,-0.4 2,-0.5 -0.992 22.9-131.8-121.6 127.6 -70.0 29.2 -7.0 106 106 A F E -h 151 0B 0 92,-2.2 92,-0.5 -2,-0.4 46,-0.2 -0.720 24.9-178.4 -94.8 122.5 -71.9 25.9 -6.9 107 107 A T E S- 0 0 15 44,-2.1 22,-2.4 -2,-0.5 2,-0.3 0.807 79.8 -30.7 -76.1 -30.3 -73.7 24.4 -9.8 108 108 A S E -hJ 152 128B 0 43,-0.8 45,-3.0 20,-0.3 2,-0.4 -0.976 63.2-117.6-173.9 176.2 -74.7 21.5 -7.7 109 109 A A E -h 153 0B 3 18,-2.6 18,-0.4 -2,-0.3 45,-0.3 -0.941 7.9-150.6-143.4 121.9 -73.6 19.4 -4.7 110 110 A G E -h 154 0B 1 43,-2.8 45,-2.6 -2,-0.4 2,-0.3 -0.190 27.2-168.0 -67.9 172.9 -72.7 15.7 -4.1 111 111 A T E -hK 155 592B 1 481,-1.7 481,-3.5 43,-0.2 45,-0.2 -0.969 40.1-154.9-162.8 150.3 -73.3 14.3 -0.7 112 112 A N + 0 0 0 43,-1.2 234,-0.2 -2,-0.3 44,-0.1 0.292 68.1 109.0-101.3 10.5 -72.8 11.4 1.7 113 113 A S - 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