==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDYL TRANSFERASE 09-JUN-95 1HXP . COMPND 2 MOLECULE: HEXOSE-1-PHOSPHATE URIDYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.E.WEDEKIND,P.A.FREY,I.RAYMENT . 669 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 388 58.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 37 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 0 0 0 0 1 1 0 2 0 0 0 0 2 1 1 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 0 6 6 6 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 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 T 0 0 127 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-108.1 39.1 53.6 63.0 2 3 A Q - 0 0 162 411,-0.1 413,-0.1 2,-0.0 2,-0.0 -0.893 360.0-106.6-108.0 130.2 40.9 53.0 59.7 3 4 A F + 0 0 31 -2,-0.4 411,-0.1 411,-0.3 412,-0.0 -0.331 39.7 173.9 -56.9 128.7 40.7 55.7 56.9 4 5 A N >> - 0 0 65 409,-0.1 3,-4.0 5,-0.1 4,-3.0 -0.879 24.4-153.5-142.2 101.9 38.5 54.7 54.0 5 6 A P T 34 S+ 0 0 44 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 0.534 95.2 67.1 -53.0 -6.1 38.0 57.4 51.4 6 7 A V T 34 S+ 0 0 96 1,-0.1 314,-0.1 3,-0.1 -3,-0.0 0.668 119.2 18.5 -89.2 -17.7 34.8 55.8 50.6 7 8 A D T <4 S+ 0 0 82 -3,-4.0 19,-0.5 1,-0.1 -1,-0.1 0.763 114.0 72.2-118.8 -30.9 33.5 56.8 54.0 8 9 A H S < S- 0 0 37 -4,-3.0 -1,-0.1 17,-0.1 15,-0.1 -0.757 77.5-114.4 -97.9 139.0 35.7 59.5 55.3 9 10 A P + 0 0 10 0, 0.0 419,-0.7 0, 0.0 2,-0.3 -0.251 48.7 151.1 -62.5 148.1 36.0 63.1 54.2 10 11 A H E -AB 23 427A 0 13,-2.1 13,-3.9 417,-0.2 2,-0.4 -0.966 41.9-108.4-163.0 175.5 39.3 64.0 52.7 11 12 A R E -AB 22 426A 10 415,-2.6 415,-1.7 -2,-0.3 2,-0.4 -0.941 24.4-154.8-117.8 141.7 40.9 66.4 50.2 12 13 A R E -AB 21 425A 10 9,-2.8 9,-2.5 -2,-0.4 2,-0.3 -0.933 17.9-123.3-117.8 141.7 42.2 65.3 46.8 13 14 A Y E -A 20 0A 43 411,-2.3 411,-0.3 -2,-0.4 7,-0.2 -0.639 8.2-149.8 -88.0 139.0 45.0 67.1 44.9 14 15 A N E >>> -A 19 0A 21 5,-2.8 4,-2.3 -2,-0.3 5,-0.6 -0.917 8.3-167.4-104.4 105.1 44.6 68.5 41.3 15 16 A P T 345S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 167,-0.1 0.618 84.2 58.8 -71.3 -12.6 48.1 68.3 39.7 16 17 A L T 345S+ 0 0 0 1,-0.1 162,-0.3 3,-0.1 163,-0.2 0.708 122.3 21.1 -86.4 -26.7 47.1 70.5 36.9 17 18 A T T <45S- 0 0 18 -3,-0.6 3,-0.1 2,-0.2 -1,-0.1 0.488 95.8-125.9-116.0 -12.2 46.1 73.5 39.1 18 19 A G T <5S+ 0 0 31 -4,-2.3 2,-0.2 1,-0.3 -5,-0.0 0.684 71.1 118.7 75.0 12.7 48.0 72.8 42.3 19 20 A Q E < -A 14 0A 52 -5,-0.6 -5,-2.8 295,-0.0 -1,-0.3 -0.724 58.2-125.2-110.9 163.6 44.7 73.0 44.3 20 21 A W E -A 13 0A 34 -2,-0.2 2,-0.4 -7,-0.2 295,-0.4 -0.687 11.3-147.6-106.0 158.1 42.9 70.6 46.5 21 22 A I E -A 12 0A 7 -9,-2.5 -9,-2.8 -2,-0.2 2,-0.6 -0.994 15.0-133.7-127.0 133.0 39.3 69.5 46.4 22 23 A L E -Ac 11 316A 0 293,-2.8 295,-2.7 -2,-0.4 2,-0.5 -0.759 21.2-167.9 -89.4 120.4 37.3 68.6 49.5 23 24 A V E -Ac 10 317A 2 -13,-3.9 -13,-2.1 -2,-0.6 295,-0.2 -0.902 10.3-174.6-110.1 131.1 35.4 65.4 49.2 24 25 A S > + 0 0 3 293,-2.5 3,-0.8 -2,-0.5 -16,-0.1 -0.776 9.3 179.4-127.3 86.6 32.7 64.4 51.8 25 26 A P T 3 + 0 0 19 0, 0.0 295,-0.2 0, 0.0 -1,-0.1 0.769 69.9 33.8 -59.6 -39.1 31.6 60.9 50.8 26 27 A H T 3 S+ 0 0 66 -19,-0.5 3,-0.1 381,-0.1 293,-0.1 -0.254 75.7 170.3-120.7 49.5 29.0 59.9 53.4 27 28 A R < - 0 0 69 -3,-0.8 380,-0.1 291,-0.2 379,-0.1 -0.171 48.0 -93.3 -56.5 148.1 27.2 63.1 54.2 28 29 A A - 0 0 54 378,-0.4 2,-0.4 1,-0.1 -1,-0.1 -0.385 48.8-129.1 -63.3 140.0 24.1 62.8 56.2 29 30 A K - 0 0 91 -3,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.740 10.4-121.5-100.1 141.3 21.2 62.6 53.8 30 31 A R - 0 0 149 -2,-0.4 3,-0.1 1,-0.1 -1,-0.0 -0.415 46.2 -81.0 -75.9 153.4 18.0 64.7 53.9 31 32 A P - 0 0 79 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.236 54.0 -95.2 -56.4 138.6 14.7 63.0 54.1 32 33 A W - 0 0 213 1,-0.2 3,-0.1 -3,-0.1 -3,-0.0 -0.377 38.3-170.8 -58.7 120.0 13.3 61.6 50.9 33 34 A E - 0 0 109 1,-0.4 2,-0.3 -2,-0.2 -1,-0.2 0.689 50.2 -86.7 -88.4 -18.8 11.0 64.4 49.6 34 35 A G 0 0 31 -3,-0.0 -1,-0.4 0, 0.0 0, 0.0 -0.857 360.0 360.0 140.0-174.5 9.6 62.2 46.9 35 36 A A 0 0 146 -2,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.469 360.0 360.0 -66.4 360.0 10.3 61.2 43.3 36 ! 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 37 44 A V 0 0 146 0, 0.0 72,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.7 11.3 69.3 20.1 38 45 A L - 0 0 98 71,-0.1 71,-0.1 1,-0.0 2,-0.1 -0.805 360.0-112.9-114.9 157.3 13.0 71.8 17.9 39 46 A P - 0 0 66 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.435 22.5-128.1 -79.4 158.0 12.8 72.7 14.2 40 47 A A S S+ 0 0 54 1,-0.2 68,-2.2 68,-0.2 2,-0.3 0.618 99.4 33.9 -81.9 -11.4 15.9 72.0 12.0 41 48 A H - 0 0 87 66,-0.2 -1,-0.2 67,-0.1 66,-0.1 -0.972 69.6-163.7-146.5 125.8 15.7 75.6 10.8 42 49 A D > - 0 0 44 -2,-0.3 3,-1.1 -3,-0.1 6,-0.2 -0.934 13.7-149.6-118.3 118.5 14.6 78.7 12.8 43 50 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.759 99.7 40.4 -52.9 -30.0 13.7 81.9 10.9 44 51 A D T 3 S+ 0 0 147 7,-0.1 2,-0.3 3,-0.0 -2,-0.0 0.596 85.0 116.1-100.3 -10.3 14.8 84.1 13.7 45 52 A C X - 0 0 4 -3,-1.1 3,-0.8 1,-0.1 6,-0.1 -0.379 54.4-153.7 -61.6 121.7 17.9 82.2 14.7 46 53 A F T 3 S+ 0 0 79 -2,-0.3 -1,-0.1 1,-0.2 5,-0.0 0.610 94.9 51.1 -72.5 -8.4 21.0 84.3 14.1 47 54 A L T 3 S+ 0 0 0 -5,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.518 86.2 106.4-102.6 -12.8 23.1 81.2 13.7 48 55 A C S X S- 0 0 0 -3,-0.8 3,-1.5 -6,-0.2 11,-0.2 -0.287 81.3 -93.6 -69.0 151.6 20.9 79.5 11.1 49 56 A A T 3 S+ 0 0 18 57,-0.4 12,-0.3 1,-0.2 -1,-0.1 -0.338 107.4 13.7 -63.5 142.8 22.0 79.2 7.5 50 57 A G T 3 S+ 0 0 23 10,-1.8 -1,-0.2 9,-0.5 2,-0.2 0.455 100.4 122.5 73.2 -1.9 20.7 82.0 5.2 51 58 A N < - 0 0 22 -3,-1.5 8,-3.5 9,-0.3 2,-0.4 -0.481 63.3-112.5 -93.8 164.2 19.6 84.2 8.1 52 59 A V B -D 58 0B 85 6,-0.2 6,-0.2 -2,-0.2 2,-0.1 -0.833 26.8-132.8 -99.8 133.9 20.6 87.7 8.9 53 60 A R > - 0 0 20 4,-3.2 3,-2.9 -2,-0.4 -6,-0.1 -0.343 33.3 -98.7 -80.3 160.2 22.7 88.4 12.0 54 61 A V T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.774 125.8 56.9 -49.5 -23.1 21.8 91.2 14.5 55 62 A T T 3 S- 0 0 62 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.603 118.9-107.5 -87.0 -12.8 24.4 93.2 12.6 56 63 A G S < S+ 0 0 49 -3,-2.9 2,-0.1 1,-0.4 -2,-0.1 0.131 78.4 127.8 107.1 -22.2 22.9 92.9 9.2 57 64 A D - 0 0 86 -5,-0.1 -4,-3.2 1,-0.1 -1,-0.4 -0.432 55.8-133.4 -68.6 136.7 25.6 90.4 7.8 58 65 A K B -D 52 0B 129 -6,-0.2 -6,-0.2 -2,-0.1 -1,-0.1 -0.759 9.5-126.7 -97.4 142.0 23.9 87.4 6.3 59 66 A N - 0 0 0 -8,-3.5 -9,-0.5 -2,-0.4 -12,-0.0 -0.624 31.6-115.1 -84.1 144.2 25.0 83.9 7.0 60 67 A P - 0 0 59 0, 0.0 -10,-1.8 0, 0.0 2,-1.4 -0.129 32.0 -95.7 -70.3 175.9 25.7 81.8 3.9 61 68 A D + 0 0 125 -12,-0.3 -12,-0.1 -11,-0.1 -13,-0.0 -0.434 63.2 179.7 -88.6 55.8 23.7 78.7 2.9 62 69 A Y - 0 0 21 -2,-1.4 -13,-0.1 1,-0.1 4,-0.1 -0.198 26.3-168.7 -62.6 148.8 26.2 76.6 4.7 63 70 A T S S+ 0 0 133 2,-0.2 44,-0.1 42,-0.1 -1,-0.1 0.610 73.9 16.1-114.3 -17.1 25.9 72.8 4.8 64 71 A G S S- 0 0 33 1,-0.5 2,-0.1 41,-0.2 -2,-0.0 0.166 118.1 -19.8-121.3-119.0 28.5 71.7 7.4 65 72 A T - 0 0 35 40,-0.1 -1,-0.5 57,-0.1 2,-0.3 -0.457 56.2-162.2 -90.0 165.1 30.3 74.0 9.9 66 73 A Y E -E 103 0C 44 37,-1.5 37,-3.5 -2,-0.1 2,-0.4 -0.959 1.4-164.6-150.0 130.7 30.5 77.7 9.5 67 74 A V E +E 102 0C 34 -2,-0.3 2,-0.3 35,-0.2 35,-0.2 -0.972 13.9 166.2-120.8 133.1 32.9 80.0 11.3 68 75 A F E -E 101 0C 14 33,-1.9 33,-3.0 -2,-0.4 2,-0.2 -0.956 42.5 -94.3-141.2 157.2 32.6 83.8 11.5 69 76 A T E -E 100 0C 73 -2,-0.3 31,-0.3 31,-0.2 2,-0.1 -0.495 53.3 -98.4 -73.1 135.0 34.2 86.5 13.6 70 77 A N > - 0 0 31 29,-2.7 3,-1.2 -2,-0.2 29,-0.2 -0.377 23.3-144.3 -57.8 124.4 32.2 87.4 16.7 71 78 A D T 3 S+ 0 0 47 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.1 0.742 101.7 38.7 -61.6 -26.0 30.1 90.4 16.0 72 79 A F T 3 S- 0 0 120 27,-0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.426 85.7-179.0-121.5 53.0 30.7 91.5 19.6 73 80 A A < - 0 0 14 -3,-1.2 -4,-0.0 1,-0.2 24,-0.0 -0.250 23.8-152.9 -57.5 133.8 34.3 90.4 20.1 74 81 A A S S+ 0 0 2 295,-0.0 2,-0.3 294,-0.0 294,-0.2 0.659 81.3 42.6 -80.6 -18.5 35.7 91.0 23.6 75 82 A L - 0 0 0 291,-0.1 2,-0.3 276,-0.1 24,-0.3 -0.889 68.1-159.3-127.7 159.2 39.2 91.3 22.2 76 83 A M > - 0 0 95 19,-0.3 21,-1.2 -2,-0.3 3,-0.7 -0.961 23.4-128.3-136.9 152.4 40.7 93.0 19.1 77 84 A S T 3 S+ 0 0 74 -2,-0.3 21,-0.1 19,-0.2 19,-0.1 0.641 102.0 46.4 -76.7 -15.5 43.9 92.5 17.2 78 85 A D T 3 S+ 0 0 128 19,-0.1 -1,-0.2 2,-0.0 18,-0.1 0.133 72.1 145.7-115.0 24.4 45.1 96.1 17.2 79 86 A T < - 0 0 9 -3,-0.7 266,-0.1 18,-0.1 2,-0.1 -0.361 52.1-113.6 -62.8 139.2 44.6 97.2 20.8 80 87 A P - 0 0 29 0, 0.0 15,-0.3 0, 0.0 2,-0.2 -0.362 39.5 -96.7 -70.9 152.3 47.2 99.7 22.1 81 88 A D - 0 0 94 13,-0.1 264,-0.3 264,-0.1 3,-0.1 -0.433 30.1-122.5 -72.3 139.4 49.5 98.4 24.9 82 89 A A - 0 0 5 -2,-0.2 12,-0.3 1,-0.1 3,-0.1 -0.543 46.0 -89.3 -79.0 149.1 48.8 99.2 28.5 83 90 A P - 0 0 82 0, 0.0 2,-0.4 0, 0.0 9,-0.3 -0.252 42.6-101.1 -61.5 148.4 51.7 101.0 30.2 84 91 A E + 0 0 168 -3,-0.1 2,-0.3 7,-0.1 9,-0.1 -0.575 51.0 172.9 -72.3 123.5 54.5 99.1 31.9 85 92 A S - 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