==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 08-JUL-06 2IXL . COMPND 2 MOLECULE: DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SUIS; . AUTHOR C.DONG,J.H.NAISMITH . 784 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35506.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 501 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 267 34.1 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 . 4 0.5 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 . 56 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 6 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 RESIDUES PER ALPHA HELIX . 8 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 PARALLEL BRIDGES PER LADDER . 0 4 5 15 4 4 8 4 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 4 0 0 4 0 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 0 108 0, 0.0 2,-0.8 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 155.5 21.2 -12.2 -6.6 2 3 A E + 0 0 156 1,-0.2 4,-0.1 2,-0.2 5,-0.0 -0.735 360.0 33.8 106.6 -81.9 18.3 -13.5 -8.7 3 4 A N S S- 0 0 137 -2,-0.8 -1,-0.2 2,-0.1 112,-0.1 0.996 131.5 -40.8 -73.7 -60.2 15.5 -15.2 -6.7 4 5 A F S S+ 0 0 30 1,-0.2 3,-0.4 -3,-0.2 23,-0.3 0.644 111.9 65.8-137.4 -53.3 15.4 -13.3 -3.4 5 6 A F S S+ 0 0 100 -4,-0.2 -1,-0.2 1,-0.2 23,-0.2 -0.584 99.0 8.1 -87.5 144.8 18.8 -12.3 -1.9 6 7 A G S S+ 0 0 36 21,-2.4 -1,-0.2 -2,-0.2 22,-0.1 0.666 72.9 164.7 72.5 22.8 21.4 -9.9 -3.2 7 8 A K - 0 0 27 -3,-0.4 2,-0.4 18,-0.4 -1,-0.2 -0.347 42.1-110.5 -66.5 151.1 19.7 -8.3 -6.2 8 9 A T - 0 0 115 17,-0.1 2,-0.2 18,-0.1 16,-0.2 -0.703 39.9-102.3 -79.2 134.7 21.2 -5.1 -7.7 9 10 A L + 0 0 41 -2,-0.4 2,-0.3 14,-0.1 16,-0.2 -0.427 64.1 151.1 -60.7 124.2 19.0 -2.1 -7.0 10 11 A A E -A 24 0A 29 14,-1.3 14,-2.1 -2,-0.2 2,-0.3 -0.972 34.0-145.5-155.8 156.8 17.1 -1.5 -10.3 11 12 A A E -A 23 0A 30 -2,-0.3 12,-0.2 12,-0.2 10,-0.0 -0.987 7.5-171.7-132.4 145.8 13.9 -0.0 -11.8 12 13 A R E -A 22 0A 95 10,-2.4 10,-2.7 -2,-0.3 2,-0.1 -0.999 22.5-129.2-131.5 131.6 11.7 -1.0 -14.8 13 14 A P E -A 21 0A 107 0, 0.0 2,-0.7 0, 0.0 8,-0.2 -0.422 20.2-125.1 -72.1 157.2 8.8 1.0 -16.2 14 15 A V > - 0 0 12 6,-1.6 3,-1.2 3,-0.4 6,-0.3 -0.919 18.1-154.4-103.1 111.4 5.5 -0.8 -16.8 15 16 A E T 3 S+ 0 0 197 -2,-0.7 -1,-0.1 1,-0.3 4,-0.0 0.820 88.0 52.1 -59.9 -35.9 4.6 -0.1 -20.4 16 17 A A T 3 S+ 0 0 34 1,-0.2 -1,-0.3 91,-0.1 90,-0.1 0.672 113.0 45.8 -74.8 -20.3 0.8 -0.5 -20.2 17 18 A I S X S- 0 0 0 -3,-1.2 3,-1.8 3,-0.1 -3,-0.4 -0.856 84.5-140.8-130.6 93.9 0.5 2.0 -17.2 18 19 A P T 3 S+ 0 0 65 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.240 86.6 23.6 -53.5 133.1 2.5 5.3 -17.7 19 20 A G T 3 S+ 0 0 50 1,-0.3 2,-0.2 101,-0.1 -4,-0.1 0.147 92.8 119.7 97.4 -20.8 4.2 6.5 -14.4 20 21 A M < - 0 0 2 -3,-1.8 -6,-1.6 -6,-0.3 2,-0.4 -0.588 41.0-172.1 -78.5 142.2 4.3 3.0 -12.8 21 22 A L E -AB 13 119A 24 98,-1.3 98,-2.7 -2,-0.2 2,-0.4 -0.997 15.3-152.2-136.0 141.1 7.7 1.5 -11.8 22 23 A E E -AB 12 118A 13 -10,-2.7 -10,-2.4 -2,-0.4 2,-0.4 -0.942 19.0-159.9-109.5 133.0 8.8 -1.9 -10.6 23 24 A F E -AB 11 117A 0 94,-2.6 94,-1.8 -2,-0.4 2,-0.5 -0.901 17.2-143.3-116.2 140.2 12.0 -2.1 -8.4 24 25 A D E -AB 10 116A 29 -14,-2.1 -14,-1.3 -2,-0.4 92,-0.2 -0.904 27.5-155.4 -91.9 127.0 14.3 -4.9 -7.5 25 26 A I - 0 0 0 90,-2.2 -18,-0.4 -2,-0.5 2,-0.3 -0.914 16.0-119.3-110.1 127.4 15.4 -4.3 -3.8 26 27 A P - 0 0 30 0, 0.0 11,-0.5 0, 0.0 2,-0.5 -0.472 29.7-170.2 -64.1 122.6 18.7 -5.7 -2.4 27 28 A V E -H 36 0B 0 -23,-0.3 -21,-2.4 -2,-0.3 2,-0.6 -0.985 7.5-154.5-116.7 121.9 17.9 -8.1 0.5 28 29 A H E -H 35 0B 112 7,-2.7 7,-1.7 -2,-0.5 2,-0.3 -0.879 13.0-161.3-104.5 117.9 21.0 -9.2 2.6 29 30 A G E +H 34 0B 43 -2,-0.6 2,-0.2 5,-0.2 5,-0.2 -0.659 20.1 147.5-102.0 150.6 20.7 -12.5 4.4 30 31 A D E > -H 33 0B 70 3,-2.3 3,-0.7 -2,-0.3 342,-0.0 -0.851 63.7 -64.7-154.3-167.5 22.6 -14.1 7.3 31 32 A N T 3 S+ 0 0 79 -2,-0.2 3,-0.1 1,-0.2 341,-0.0 0.843 127.9 51.6 -55.1 -36.8 22.1 -16.4 10.3 32 33 A R T 3 S- 0 0 33 1,-0.1 231,-1.7 230,-0.1 2,-0.3 0.757 121.1 -95.0 -74.5 -27.0 19.6 -14.0 12.0 33 34 A G E < -HI 30 262B 21 -3,-0.7 -3,-2.3 229,-0.2 2,-0.3 -0.917 61.5 -53.0 144.0-122.7 17.3 -13.5 9.0 34 35 A W E -HI 29 261B 15 227,-2.2 227,-2.4 -2,-0.3 2,-0.3 -0.963 30.3-147.8-152.9 168.0 17.6 -10.5 6.7 35 36 A F E +HI 28 260B 56 -7,-1.7 -7,-2.7 -2,-0.3 2,-0.3 -0.997 16.8 176.8-136.5 138.3 17.9 -6.7 6.2 36 37 A K E -HI 27 259B 0 223,-2.4 223,-2.4 -2,-0.3 2,-1.1 -0.999 35.8-132.6-138.4 147.0 16.8 -4.4 3.4 37 38 A E E - I 0 258B 31 -11,-0.5 221,-0.2 -2,-0.3 3,-0.2 -0.841 31.2-174.0 -82.8 93.4 16.7 -0.6 2.7 38 39 A N E S+ 0 0 4 219,-1.2 2,-0.3 -2,-1.1 220,-0.2 0.879 71.2 9.3 -59.5 -41.4 13.0 -0.8 1.6 39 40 A F E + I 0 257B 2 218,-1.8 218,-2.7 -3,-0.1 2,-0.3 -0.991 63.9 174.7-140.6 134.4 13.1 2.9 0.5 40 41 A Q E > - I 0 256B 2 -2,-0.3 4,-1.9 216,-0.2 216,-0.2 -0.891 15.7-159.2-142.9 106.8 16.2 5.2 0.2 41 42 A K H > S+ 0 0 42 214,-2.3 4,-2.1 -2,-0.3 -1,-0.1 0.902 88.6 48.9 -57.8 -47.2 15.5 8.6 -1.3 42 43 A E H 4 S+ 0 0 121 1,-0.2 -1,-0.2 213,-0.2 214,-0.1 0.872 117.0 41.5 -64.8 -38.4 19.0 9.5 -2.5 43 44 A K H 4 S+ 0 0 88 -3,-0.2 -1,-0.2 1,-0.1 4,-0.2 0.753 116.4 49.2 -77.9 -27.2 19.6 6.1 -4.3 44 45 A M H ><>S+ 0 0 3 -4,-1.9 5,-1.8 2,-0.2 3,-0.9 0.792 93.5 68.0 -93.2 -27.6 16.1 5.9 -5.8 45 46 A L G ><5S+ 0 0 40 -4,-2.1 3,-1.5 1,-0.2 -1,-0.1 0.922 98.9 53.9 -54.8 -45.5 15.6 9.4 -7.5 46 47 A P G 3 5S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.708 106.7 54.5 -61.5 -19.5 18.4 8.6 -10.1 47 48 A L G < 5S- 0 0 67 -3,-0.9 -2,-0.2 -4,-0.2 -3,-0.1 0.449 130.5 -89.0 -93.7 -3.6 16.4 5.3 -10.9 48 49 A G T < 5S+ 0 0 37 -3,-1.5 -3,-0.2 -4,-0.5 -4,-0.1 0.350 72.2 148.0 115.6 -3.5 13.1 7.1 -11.6 49 50 A F < - 0 0 1 -5,-1.8 -1,-0.3 1,-0.1 2,-0.2 -0.488 61.5-107.3 -59.1 122.0 11.3 7.3 -8.3 50 51 A P > - 0 0 29 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.369 17.5-149.5 -72.2 129.9 9.5 10.6 -9.0 51 52 A E G > S+ 0 0 122 1,-0.3 3,-2.0 -2,-0.2 4,-0.1 0.801 95.6 74.7 -55.0 -31.0 10.6 13.9 -7.2 52 53 A S G > S+ 0 0 80 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.688 75.4 77.4 -59.6 -19.3 6.9 14.9 -7.6 53 54 A F G < S+ 0 0 4 -3,-1.8 3,-0.3 1,-0.2 -1,-0.3 0.833 95.7 49.5 -54.8 -29.8 6.0 12.4 -4.7 54 55 A F G X S+ 0 0 54 -3,-2.0 3,-0.9 -4,-0.2 -1,-0.2 0.295 76.2 113.8 -96.9 9.2 7.5 15.1 -2.4 55 56 A A T < S+ 0 0 84 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.802 84.8 30.1 -54.7 -41.5 5.5 18.1 -3.7 56 57 A E T 3 S- 0 0 124 -3,-0.3 -1,-0.2 -4,-0.2 3,-0.1 0.449 102.1-120.2-102.4 -1.0 3.3 18.8 -0.6 57 58 A G < + 0 0 39 -3,-0.9 2,-0.3 1,-0.2 -2,-0.1 0.828 64.4 144.3 65.9 32.8 5.7 17.6 2.1 58 59 A K + 0 0 56 -5,-0.3 2,-0.3 84,-0.2 -1,-0.2 -0.803 24.2 178.7-106.1 144.3 3.1 15.0 3.3 59 60 A L + 0 0 10 -2,-0.3 178,-2.2 -3,-0.1 2,-0.3 -0.962 10.7 163.2-151.5 130.3 4.0 11.5 4.6 60 61 A Q E -CD 141 236A 4 81,-1.8 81,-2.7 -2,-0.3 2,-0.5 -0.992 17.8-156.8-142.4 139.8 2.0 8.5 6.0 61 62 A N E -CD 140 235A 0 174,-2.7 174,-1.7 -2,-0.3 173,-1.4 -0.978 15.0-171.8-119.3 117.6 3.2 4.9 6.4 62 63 A N E -CD 139 233A 9 77,-2.0 77,-2.6 -2,-0.5 2,-0.4 -0.782 5.3-167.8-106.4 150.1 0.5 2.2 6.5 63 64 A V E -CD 138 232A 2 169,-2.3 169,-2.4 -2,-0.3 2,-0.4 -0.996 2.5-173.9-136.0 131.2 0.8 -1.5 7.3 64 65 A S E -CD 137 231A 3 73,-2.3 73,-2.9 -2,-0.4 2,-0.4 -0.958 10.2-155.2-119.7 145.5 -1.8 -4.3 6.8 65 66 A F E +CD 136 230A 33 165,-2.4 165,-2.1 -2,-0.4 2,-0.3 -0.985 23.0 174.8-118.6 130.6 -1.5 -7.9 8.0 66 67 A S E -CD 135 229A 0 69,-2.2 69,-1.9 -2,-0.4 163,-0.2 -0.978 23.9-127.8-141.6 150.4 -3.5 -10.5 6.1 67 68 A R E > -C 134 0A 94 161,-1.6 3,-1.8 -2,-0.3 63,-0.3 -0.473 51.5 -63.5 -91.9 165.7 -4.1 -14.3 5.8 68 69 A K T 3 S+ 0 0 111 65,-2.3 -1,-0.2 1,-0.2 63,-0.2 -0.110 120.0 15.1 -46.7 135.8 -4.0 -16.6 2.8 69 70 A N T 3 S+ 0 0 30 61,-2.3 105,-1.8 1,-0.3 -1,-0.2 0.200 85.3 141.1 78.7 -12.4 -6.6 -15.9 0.1 70 71 A V B < -o 174 0C 0 -3,-1.8 60,-2.6 103,-0.2 2,-0.4 -0.366 34.5-162.6 -54.1 133.7 -7.5 -12.4 1.4 71 72 A L E -P 129 0D 0 103,-2.1 2,-0.4 58,-0.2 105,-0.4 -0.998 8.2-173.5-127.3 122.7 -8.0 -10.0 -1.5 72 73 A R E -P 128 0D 20 56,-2.3 56,-2.4 -2,-0.4 2,-0.2 -0.982 31.9 -54.0-117.2 128.3 -8.0 -6.2 -1.0 73 74 A G E - 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