==== 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 NUCLEOTIDYLTRANSFERASE 16-JUN-96 1HXQ . COMPND 2 MOLECULE: HEXOSE-1-PHOSPHATE URIDYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.E.WEDEKIND,P.A.FREY,I.RAYMENT . 672 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 385 57.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 17.6 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 . 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 . 30 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 22.2 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+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 3 0 0 0 0 1 1 0 2 0 0 0 0 2 2 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 . 3 1 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 . 1 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 0 157 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.8 38.5 53.3 62.6 2 3 A Q - 0 0 163 414,-0.1 416,-0.1 1,-0.1 2,-0.0 -0.708 360.0-106.7 -92.0 134.0 40.3 52.6 59.4 3 4 A F + 0 0 27 -2,-0.4 -1,-0.1 414,-0.4 414,-0.1 -0.291 40.7 166.7 -58.4 130.5 40.2 55.0 56.5 4 5 A N >> - 0 0 60 412,-0.1 4,-3.3 5,-0.1 3,-3.1 -0.865 26.2-153.2-150.0 105.0 38.1 54.1 53.5 5 6 A P T 34 S+ 0 0 45 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 0.616 94.9 68.4 -58.4 -12.9 37.5 57.0 51.1 6 7 A V T 34 S+ 0 0 81 1,-0.1 314,-0.1 3,-0.1 -3,-0.0 0.778 119.6 19.7 -80.0 -16.7 34.3 55.3 50.0 7 8 A D T <4 S+ 0 0 64 -3,-3.1 19,-0.3 1,-0.1 -1,-0.1 0.721 116.3 69.5-114.2 -31.2 33.1 56.2 53.5 8 9 A H S < S- 0 0 29 -4,-3.3 -1,-0.1 17,-0.1 15,-0.1 -0.784 76.1-115.6-102.7 139.5 35.3 58.9 54.8 9 10 A P + 0 0 0 0, 0.0 422,-0.5 0, 0.0 2,-0.3 -0.185 48.9 143.9 -59.6 152.1 35.6 62.6 53.8 10 11 A H E -AB 23 430A 0 13,-1.9 13,-3.9 420,-0.2 2,-0.4 -0.951 44.6-103.1-173.4 177.3 39.0 63.6 52.4 11 12 A R E -AB 22 429A 11 418,-2.2 418,-2.3 -2,-0.3 2,-0.4 -0.937 22.6-153.0-121.1 144.6 40.5 65.9 49.8 12 13 A R E -AB 21 428A 11 9,-2.6 9,-1.7 -2,-0.4 2,-0.3 -0.940 16.9-129.4-117.5 137.2 41.8 64.9 46.4 13 14 A Y E -A 20 0A 43 414,-1.9 414,-0.3 -2,-0.4 7,-0.2 -0.668 6.0-148.3 -88.7 141.3 44.5 66.9 44.6 14 15 A N E >>> -A 19 0A 21 5,-3.1 4,-2.4 -2,-0.3 3,-1.2 -0.926 8.2-164.6-107.3 107.4 44.1 68.1 40.9 15 16 A P T 345S+ 0 0 5 0, 0.0 -1,-0.1 0, 0.0 167,-0.1 0.551 84.2 63.2 -71.9 -5.1 47.6 68.0 39.5 16 17 A L T 345S+ 0 0 0 3,-0.1 162,-0.2 1,-0.1 163,-0.2 0.667 121.0 19.1 -91.7 -15.8 46.5 70.1 36.6 17 18 A T T <45S- 0 0 20 -3,-1.2 3,-0.1 2,-0.2 -1,-0.1 0.479 97.7-124.6-125.4 -12.9 45.6 73.1 38.8 18 19 A G T <5S+ 0 0 30 -4,-2.4 2,-0.3 1,-0.3 -5,-0.0 0.730 71.1 120.4 73.8 21.0 47.4 72.4 41.9 19 20 A Q E < -A 14 0A 44 -5,-0.9 -5,-3.1 295,-0.0 -1,-0.3 -0.775 57.2-125.1-116.3 164.3 44.2 72.6 44.0 20 21 A W E -A 13 0A 29 -2,-0.3 295,-0.5 -7,-0.2 2,-0.4 -0.658 10.6-149.6-105.5 164.1 42.4 70.2 46.2 21 22 A I E -Ac 12 315A 7 -9,-1.7 -9,-2.6 -2,-0.2 2,-0.5 -0.995 17.2-133.5-130.2 132.0 38.7 69.0 46.1 22 23 A L E -Ac 11 316A 0 293,-3.3 295,-2.6 -2,-0.4 2,-0.5 -0.781 20.4-161.9 -94.1 130.7 36.9 68.1 49.2 23 24 A V E -Ac 10 317A 1 -13,-3.9 -13,-1.9 -2,-0.5 295,-0.2 -0.941 14.0-175.8-116.5 130.3 35.0 64.9 49.0 24 25 A S > + 0 0 0 293,-2.9 3,-1.6 -2,-0.5 4,-0.1 -0.708 7.9 174.0-121.9 78.8 32.2 63.9 51.4 25 26 A P G > + 0 0 0 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.753 69.1 67.4 -59.7 -27.8 31.2 60.5 50.5 26 27 A H G > S+ 0 0 56 -19,-0.3 3,-0.6 1,-0.3 292,-0.1 0.685 92.8 66.4 -69.6 -8.4 28.8 59.8 53.3 27 28 A R G < S+ 0 0 71 -3,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.547 96.5 51.9 -88.6 0.5 26.7 62.4 51.9 28 29 A A G < S+ 0 0 16 -3,-2.2 -1,-0.2 290,-0.3 292,-0.2 -0.160 75.2 99.5-127.7 46.6 25.9 60.4 48.7 29 30 A K < + 0 0 105 -3,-0.6 -1,-0.1 290,-0.1 -2,-0.1 0.266 52.4 111.5-110.4 9.5 24.7 57.1 50.0 30 31 A R S S- 0 0 179 -3,-0.2 3,-0.1 1,-0.1 -3,-0.0 -0.591 74.9-107.1 -84.5 141.6 21.0 57.8 49.7 31 32 A P - 0 0 88 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.018 42.8 -94.3 -58.1 177.4 19.2 55.8 47.1 32 33 A W - 0 0 211 1,-0.0 2,-0.3 0, 0.0 266,-0.0 -0.752 31.2-136.1-101.1 136.7 18.1 57.6 44.0 33 34 A Q - 0 0 129 -2,-0.4 -3,-0.0 1,-0.2 -1,-0.0 -0.643 35.7 -83.2 -92.9 151.6 14.7 59.1 43.5 34 35 A G 0 0 72 -2,-0.3 -1,-0.2 1,-0.2 0, 0.0 0.196 360.0 360.0 -53.1 166.6 12.7 58.7 40.3 35 36 A A 0 0 128 264,-0.1 265,-0.6 265,-0.0 -1,-0.2 0.484 360.0 360.0 37.6 360.0 12.8 60.6 37.1 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 0 175 0, 0.0 72,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 99.2 11.1 68.7 19.8 38 45 A L - 0 0 95 71,-0.2 71,-0.1 1,-0.1 2,-0.1 -0.640 360.0-115.3 -99.0 154.6 12.9 71.1 17.5 39 46 A P - 0 0 61 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.380 25.3-122.8 -77.2 155.1 12.8 71.8 13.6 40 47 A A S S+ 0 0 56 1,-0.2 68,-2.8 68,-0.2 2,-0.4 0.723 101.6 32.0 -74.5 -16.9 15.9 71.1 11.6 41 48 A H - 0 0 94 66,-0.2 -1,-0.2 67,-0.1 66,-0.1 -0.988 69.6-160.3-144.1 134.3 15.6 74.7 10.6 42 49 A D > - 0 0 41 -2,-0.4 3,-0.9 -3,-0.1 6,-0.2 -0.959 13.7-146.5-119.8 126.3 14.4 77.8 12.4 43 50 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.756 100.9 36.4 -55.2 -36.0 13.3 81.0 10.5 44 51 A D T 3 S+ 0 0 128 7,-0.1 2,-0.3 3,-0.0 7,-0.0 0.533 84.0 121.5-103.8 -1.0 14.4 83.3 13.2 45 52 A C X - 0 0 5 -3,-0.9 3,-0.8 1,-0.2 6,-0.1 -0.443 50.4-155.6 -65.1 122.2 17.5 81.4 14.3 46 53 A F T 3 S+ 0 0 92 -2,-0.3 -1,-0.2 1,-0.2 13,-0.1 0.631 96.4 49.2 -70.7 -14.3 20.5 83.7 13.9 47 54 A L T 3 S+ 0 0 17 2,-0.1 -1,-0.2 6,-0.1 3,-0.1 0.530 89.6 106.8-101.2 -10.6 22.7 80.6 13.7 48 55 A C S X S- 0 0 0 -3,-0.8 3,-1.7 -6,-0.2 11,-0.3 -0.299 82.1 -93.5 -70.7 152.8 20.6 78.9 11.1 49 56 A A T 3 S+ 0 0 15 57,-0.3 12,-0.2 1,-0.3 -1,-0.1 -0.385 108.4 11.9 -65.4 139.7 21.7 78.5 7.5 50 57 A G T 3 S+ 0 0 21 10,-1.6 -1,-0.3 1,-0.2 2,-0.2 0.496 100.2 120.7 71.9 3.3 20.4 81.3 5.2 51 58 A N < - 0 0 20 -3,-1.7 8,-3.5 9,-0.2 2,-0.3 -0.653 64.6-115.8-100.0 160.5 19.2 83.5 8.1 52 59 A V B -D 58 0B 80 6,-0.3 6,-0.3 -2,-0.2 -4,-0.1 -0.672 28.9-132.2 -91.0 145.7 20.4 87.0 8.8 53 60 A R > - 0 0 25 4,-5.5 3,-1.9 -2,-0.3 -1,-0.1 -0.228 36.2 -87.3 -85.2-177.7 22.1 87.5 12.0 54 61 A V T 3 S+ 0 0 82 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.737 129.4 52.4 -63.7 -22.0 21.4 90.3 14.4 55 62 A T T 3 S- 0 0 64 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.404 123.6-102.3 -94.9 3.5 23.7 92.6 12.5 56 63 A G S < S+ 0 0 45 -3,-1.9 2,-0.3 1,-0.4 -2,-0.1 0.462 77.9 135.5 95.9 -5.9 22.1 91.9 9.3 57 64 A D - 0 0 85 -5,-0.1 -4,-5.5 1,-0.0 2,-0.5 -0.644 48.8-133.7 -87.8 147.2 24.6 89.5 7.9 58 65 A K B -D 52 0B 130 -2,-0.3 -6,-0.3 -6,-0.3 -9,-0.1 -0.782 10.1-132.5 -98.2 132.3 23.3 86.5 6.3 59 66 A N - 0 0 0 -8,-3.5 -9,-0.2 -2,-0.5 -12,-0.0 -0.502 32.1-107.2 -79.7 155.9 24.6 83.2 7.0 60 67 A P - 0 0 55 0, 0.0 2,-1.8 0, 0.0 -10,-1.6 -0.168 32.0 -98.1 -75.6 171.9 25.4 81.1 4.0 61 68 A D - 0 0 122 -12,-0.2 -12,-0.1 -11,-0.1 -13,-0.0 -0.433 61.8-179.8 -87.0 59.3 23.5 78.1 2.9 62 69 A Y - 0 0 22 -2,-1.8 -13,-0.1 1,-0.1 4,-0.1 -0.288 25.8-165.8 -67.1 147.5 26.0 75.9 4.7 63 70 A T S S+ 0 0 134 2,-0.2 -1,-0.1 42,-0.1 44,-0.1 0.698 75.3 12.5-105.4 -21.4 25.7 72.2 4.6 64 71 A G S S- 0 0 28 1,-0.5 2,-0.1 41,-0.2 43,-0.1 0.237 117.0 -17.1-118.4-118.3 28.1 71.3 7.3 65 72 A T - 0 0 33 40,-0.1 -1,-0.5 41,-0.1 2,-0.3 -0.488 56.3-161.2 -91.2 165.6 29.9 73.4 9.9 66 73 A Y E -E 103 0C 43 37,-1.6 37,-3.4 -2,-0.1 2,-0.4 -0.953 2.3-162.6-151.2 131.4 30.1 77.2 9.6 67 74 A V E +E 102 0C 32 -2,-0.3 2,-0.3 35,-0.2 35,-0.2 -0.946 14.8 165.7-120.1 136.8 32.4 79.6 11.3 68 75 A F E -E 101 0C 16 33,-2.2 33,-3.4 -2,-0.4 2,-0.3 -0.984 42.2 -92.8-146.7 155.8 32.1 83.2 11.7 69 76 A T E -E 100 0C 71 -2,-0.3 31,-0.3 31,-0.3 4,-0.0 -0.523 52.2-103.6 -71.1 128.3 33.5 86.1 13.7 70 77 A N > - 0 0 30 29,-2.5 3,-1.1 -2,-0.3 29,-0.2 -0.196 23.8-136.9 -48.4 130.1 31.5 86.8 16.8 71 78 A D T 3 S+ 0 0 48 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.628 103.2 35.8 -70.7 -4.7 29.5 89.8 16.1 72 79 A F T 3 S- 0 0 121 27,-0.1 -1,-0.3 3,-0.0 -2,-0.1 -0.355 86.5-171.4-141.3 54.3 30.4 91.1 19.6 73 80 A A < - 0 0 16 -3,-1.1 90,-0.0 1,-0.2 -4,-0.0 -0.222 20.9-148.6 -52.9 131.1 33.9 89.8 20.0 74 81 A A S S+ 0 0 0 295,-0.0 2,-0.3 294,-0.0 -1,-0.2 0.593 82.6 38.1 -78.0 -12.1 35.3 90.3 23.4 75 82 A L - 0 0 0 291,-0.0 2,-0.3 276,-0.0 24,-0.3 -0.929 66.4-162.2-136.7 160.3 38.8 90.7 22.0 76 83 A M - 0 0 63 19,-0.3 21,-2.0 -2,-0.3 3,-0.5 -0.934 25.4-125.2-140.5 159.3 40.3 92.3 19.0 77 84 A S S S+ 0 0 77 -2,-0.3 21,-0.1 19,-0.3 19,-0.1 0.646 101.7 50.9 -85.4 -14.2 43.6 92.0 17.2 78 85 A D + 0 0 129 19,-0.1 -1,-0.2 2,-0.0 3,-0.1 0.294 68.7 141.9-112.4 17.7 44.7 95.6 17.2 79 86 A T - 0 0 5 -3,-0.5 266,-0.1 18,-0.1 3,-0.1 -0.223 54.6-115.3 -54.5 131.0 44.2 96.6 20.8 80 87 A P - 0 0 27 0, 0.0 15,-0.4 0, 0.0 2,-0.3 -0.295 35.2 -96.3 -69.3 161.4 47.0 98.9 21.9 81 88 A D - 0 0 96 13,-0.1 264,-0.4 -3,-0.1 3,-0.1 -0.577 30.6-125.7 -78.1 140.1 49.3 97.8 24.5 82 89 A A - 0 0 10 -2,-0.3 12,-0.3 1,-0.1 3,-0.1 -0.491 40.5 -98.7 -79.3 150.2 48.7 98.8 28.1 83 90 A P - 0 0 91 0, 0.0 9,-0.2 0, 0.0 2,-0.1 -0.226 43.9 -94.7 -66.5 160.2 51.7 100.4 29.6 84 91 A E + 0 0 179 -3,-0.1 2,-0.3 7,-0.1 9,-0.1 -0.463 49.1 172.3 -75.8 154.4 54.1 98.4 31.7 85 92 A S - 0 0 57 -2,-0.1 6,-0.1 7,-0.1 -3,-0.0 -0.994 34.7-166.2-160.4 149.9 53.6 98.5 35.4 86 93 A H + 0 0 171 -2,-0.3 5,-0.1 4,-0.1 -1,-0.1 0.189 40.8 145.9-118.0 6.9 55.0 96.7 38.6 87 94 A D - 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