==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-SEP-10 3OZB . COMPND 2 MOLECULE: METHYLTHIOADENOSINE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.HO,R.GUAN,S.C.ALMO,V.L.SCHRAMM . 1432 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 932 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 200 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 7.5 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 . 12 0.8 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 . 3 0.2 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 . 125 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 320 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.7 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 0 0 6 1 5 4 2 0 5 1 0 0 0 0 0 0 0 2 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 7 14 3 0 0 0 6 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 . 10 14 1 1 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 1 5 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 15 A M 0 0 210 0, 0.0 45,-0.4 0, 0.0 43,-0.0 0.000 360.0 360.0 360.0 -74.3 47.8 -7.9 183.9 2 16 A S - 0 0 51 1,-0.1 2,-0.4 43,-0.1 74,-0.1 -0.201 360.0-114.5 -66.5 140.6 48.2 -5.1 181.2 3 17 A V - 0 0 14 72,-0.3 74,-2.0 42,-0.1 75,-0.5 -0.570 31.3-157.8 -79.4 127.2 45.2 -3.5 179.7 4 18 A Y E -ab 47 78A 13 42,-1.6 44,-3.0 -2,-0.4 2,-0.4 -0.820 7.8-160.3-106.0 140.6 44.6 -4.1 176.0 5 19 A A E -ab 48 79A 0 73,-2.6 75,-2.7 -2,-0.4 2,-0.5 -0.945 5.8-160.3-111.8 140.6 42.7 -2.0 173.5 6 20 A I E -ab 49 80A 1 42,-3.0 44,-1.9 -2,-0.4 2,-0.4 -0.988 3.6-166.9-122.4 123.9 41.5 -3.5 170.2 7 21 A I E +ab 50 81A 0 73,-1.9 75,-2.9 -2,-0.5 2,-0.3 -0.931 42.4 79.0-109.4 133.5 40.6 -1.2 167.3 8 22 A G E S-a 51 0A 6 42,-1.4 44,-1.0 -2,-0.4 45,-0.3 -0.982 78.3 -25.6 164.1-165.6 38.7 -2.7 164.4 9 23 A G > - 0 0 38 -2,-0.3 3,-1.2 42,-0.2 4,-0.2 -0.365 64.9-104.6 -69.8 152.3 35.3 -3.8 163.1 10 24 A T T 3 S+ 0 0 102 1,-0.2 -1,-0.1 2,-0.2 40,-0.0 -0.395 107.4 65.9 -65.7 158.5 32.6 -4.9 165.5 11 25 A G T 3 S+ 0 0 16 -2,-0.1 -1,-0.2 -3,-0.1 223,-0.1 0.121 82.5 79.5 99.2 -25.0 32.4 -8.7 165.3 12 26 A L S X S+ 0 0 0 -3,-1.2 3,-1.2 1,-0.2 -2,-0.2 0.719 88.6 60.3 -69.0 -28.5 35.8 -8.6 166.7 13 27 A T T 3 S+ 0 0 26 1,-0.3 -1,-0.2 -4,-0.2 5,-0.1 0.652 85.0 73.8 -70.8 -17.4 33.5 -8.1 169.7 14 28 A Q T 3 + 0 0 146 2,-0.1 2,-0.3 3,-0.1 -1,-0.3 0.326 67.9 141.7 -78.8 12.6 31.9 -11.5 169.0 15 29 A L X - 0 0 7 -3,-1.2 3,-2.3 1,-0.1 2,-0.1 -0.392 63.6-107.3 -54.3 115.5 35.1 -12.9 170.4 16 30 A E T 3 S+ 0 0 183 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.213 101.0 15.1 -58.7 117.8 34.0 -16.0 172.4 17 31 A G T 3 S+ 0 0 65 1,-0.4 26,-0.4 -2,-0.1 2,-0.3 0.322 92.0 129.4 101.9 -7.1 34.3 -15.4 176.2 18 32 A L < - 0 0 26 -3,-2.3 -1,-0.4 24,-0.1 2,-0.4 -0.637 42.7-156.5 -76.7 131.6 34.6 -11.6 176.0 19 33 A T - 0 0 72 22,-2.0 22,-0.4 -2,-0.3 2,-0.2 -0.875 11.0-177.9 -99.8 145.8 32.3 -9.5 178.2 20 34 A L + 0 0 41 -2,-0.4 20,-0.2 20,-0.2 28,-0.0 -0.743 18.1 153.8-141.7 90.4 31.6 -5.9 177.1 21 35 A S + 0 0 103 18,-1.2 2,-0.3 -2,-0.2 19,-0.1 -0.007 46.5 63.6-121.0 29.9 29.4 -4.3 179.7 22 36 A E - 0 0 112 17,-0.3 17,-0.5 2,-0.0 2,-0.2 -0.990 46.4-173.5-149.5 152.5 30.0 -0.5 179.7 23 37 A S - 0 0 74 -2,-0.3 15,-0.2 15,-0.2 -3,-0.0 -0.699 4.5-180.0-150.7 90.4 29.5 2.3 177.2 24 38 A L B -J 37 0B 97 13,-1.0 2,-1.6 -2,-0.2 13,-1.5 -0.836 23.7-143.5 -90.5 119.9 30.7 5.8 177.9 25 39 A P - 0 0 111 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 -0.622 33.6-157.2 -80.5 85.1 30.0 8.4 175.1 26 40 A I - 0 0 53 -2,-1.6 2,-0.5 9,-0.2 44,-0.1 -0.247 19.2-160.0 -71.8 142.9 33.3 10.3 175.5 27 41 A E - 0 0 138 5,-0.1 5,-0.2 43,-0.0 -1,-0.0 -0.956 19.2-171.0-119.2 114.7 34.0 13.9 174.5 28 42 A T B > -K 31 0C 15 3,-1.4 3,-1.8 -2,-0.5 38,-0.1 -0.466 39.9-105.0 -97.9 168.3 37.7 14.7 174.1 29 43 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 37,-0.1 0.690 124.0 51.8 -60.7 -16.9 39.8 17.9 173.6 30 44 A Y T 3 S- 0 0 63 1,-0.4 36,-0.3 35,-0.1 2,-0.2 0.267 119.9-107.0-106.9 5.2 40.2 16.7 170.0 31 45 A G B < -K 28 0C 19 -3,-1.8 -3,-1.4 35,-0.1 -1,-0.4 -0.602 64.8 -5.8 102.4-158.9 36.5 16.1 169.4 32 46 A A - 0 0 54 -2,-0.2 34,-0.2 -5,-0.2 35,-0.2 -0.536 56.7-136.5 -84.6 130.5 34.3 13.1 169.1 33 47 A P - 0 0 16 0, 0.0 31,-0.1 0, 0.0 19,-0.1 -0.253 33.8-103.8 -68.0 170.8 35.7 9.5 169.0 34 48 A S S S- 0 0 22 29,-0.2 21,-0.2 17,-0.2 18,-0.1 0.942 93.3 -7.1 -68.7 -52.0 34.2 7.2 166.4 35 49 A A S S- 0 0 21 16,-0.4 2,-0.2 19,-0.1 -9,-0.2 -0.729 93.3 -76.0-127.4 176.5 31.9 5.1 168.7 36 50 A P - 0 0 60 0, 0.0 15,-0.3 0, 0.0 2,-0.2 -0.532 57.2 -98.2 -70.3 150.0 31.5 5.0 172.5 37 51 A L B -J 24 0B 10 -13,-1.5 -13,-1.0 -2,-0.2 2,-0.6 -0.491 33.0-152.4 -62.4 133.2 34.3 3.1 174.4 38 52 A Q E -C 49 0A 57 11,-1.9 11,-1.9 -2,-0.2 2,-0.4 -0.944 10.1-167.5-113.0 116.2 33.4 -0.5 175.3 39 53 A R E +C 48 0A 97 -2,-0.6 -18,-1.2 -17,-0.5 -17,-0.3 -0.856 21.2 144.0-103.8 133.0 35.2 -1.8 178.4 40 54 A G E -C 47 0A 4 7,-2.5 7,-2.6 -2,-0.4 2,-0.4 -0.814 43.0-100.5-150.1-172.0 35.1 -5.5 179.3 41 55 A R E +C 46 0A 137 -22,-0.4 -22,-2.0 -2,-0.2 2,-0.3 -0.975 27.9 176.7-122.5 131.2 36.9 -8.6 180.7 42 56 A Y E > S-C 45 0A 32 3,-2.6 3,-1.2 -2,-0.4 -24,-0.1 -0.938 74.5 -22.9-138.6 126.1 38.6 -11.3 178.7 43 57 A A T 3 S- 0 0 74 -26,-0.4 3,-0.1 -2,-0.3 -25,-0.1 0.803 128.2 -51.4 43.3 35.9 40.6 -14.3 180.2 44 58 A G T 3 S+ 0 0 68 1,-0.3 2,-0.4 198,-0.1 -1,-0.2 0.639 114.9 112.4 85.1 18.2 41.0 -12.1 183.3 45 59 A R E < S- C 0 42A 23 -3,-1.2 -3,-2.6 196,-0.1 -1,-0.3 -0.953 72.3-111.2-125.7 142.5 42.4 -9.0 181.6 46 60 A E E - C 0 41A 37 -45,-0.4 -42,-1.6 -2,-0.4 2,-0.4 -0.506 41.8-164.5 -71.8 140.1 40.7 -5.6 181.2 47 61 A V E -aC 4 40A 0 -7,-2.6 -7,-2.5 -2,-0.2 2,-0.4 -0.981 13.5-159.4-137.6 137.3 39.9 -5.1 177.6 48 62 A L E -aC 5 39A 1 -44,-3.0 -42,-3.0 -2,-0.4 2,-0.4 -0.940 3.9-167.3-121.1 143.5 38.9 -2.1 175.5 49 63 A F E +aC 6 38A 8 -11,-1.9 -11,-1.9 -2,-0.4 2,-0.5 -0.984 6.4 178.1-131.4 121.7 37.1 -1.9 172.2 50 64 A L E -a 7 0A 3 -44,-1.9 -42,-1.4 -2,-0.4 2,-0.4 -0.990 24.5-138.3-122.0 121.0 36.8 1.0 169.8 51 65 A A E -a 8 0A 19 -2,-0.5 -16,-0.4 -15,-0.3 -42,-0.2 -0.639 11.8-145.5 -69.9 130.8 35.0 0.7 166.5 52 66 A R S S+ 0 0 17 -44,-1.0 -1,-0.1 -2,-0.4 -43,-0.1 0.730 89.5 23.7 -73.2 -19.5 37.0 2.6 164.0 53 67 A H S S- 0 0 116 -45,-0.3 -1,-0.2 9,-0.1 -44,-0.1 0.375 91.7-143.2-137.8 10.4 34.0 3.8 162.0 54 68 A G 0 0 26 1,-0.1 -19,-0.1 -18,-0.1 -2,-0.1 0.558 360.0 360.0 55.4 164.1 30.7 3.9 164.1 55 69 A H 0 0 244 -21,-0.2 -1,-0.1 -4,-0.0 -20,-0.1 0.519 360.0 360.0-132.2 360.0 26.9 3.2 163.5 56 ! 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 57 73 A F 0 0 115 0, 0.0 305,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 116.8 32.6 7.9 158.2 58 74 A P >> - 0 0 0 0, 0.0 3,-3.0 0, 0.0 4,-0.7 -0.497 360.0-107.4 -71.3 144.0 35.2 7.3 155.4 59 75 A P G >4 S+ 0 0 14 0, 0.0 3,-0.9 0, 0.0 102,-0.1 0.767 116.9 60.3 -40.7 -39.6 38.7 6.4 156.6 60 76 A H G 34 S+ 0 0 23 100,-0.4 101,-0.1 1,-0.2 296,-0.0 0.589 111.3 39.4 -74.1 -8.7 40.1 9.9 155.7 61 77 A Q G <4 S+ 0 0 77 -3,-3.0 -1,-0.2 49,-0.1 2,-0.2 0.418 80.4 122.7-118.8 1.9 37.7 11.6 158.1 62 78 A V S << S- 0 0 9 -3,-0.9 2,-2.3 -4,-0.7 3,-0.2 -0.446 70.3-122.1 -59.5 128.3 37.7 9.2 161.1 63 79 A N > + 0 0 41 -31,-0.2 4,-2.2 1,-0.2 3,-0.2 -0.456 45.2 164.4 -77.3 74.3 38.8 11.1 164.1 64 80 A Y H > S+ 0 0 3 -2,-2.3 4,-2.8 1,-0.2 5,-0.2 0.846 72.0 59.3 -57.0 -41.7 41.8 8.9 165.0 65 81 A R H > S+ 0 0 30 46,-0.4 4,-1.8 -3,-0.2 -1,-0.2 0.910 107.7 45.4 -52.3 -49.5 43.2 11.6 167.3 66 82 A A H > S+ 0 0 0 -36,-0.3 4,-2.4 -34,-0.2 -2,-0.2 0.933 112.1 52.9 -61.7 -45.9 40.0 11.4 169.4 67 83 A N H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.943 111.7 43.3 -55.2 -50.5 40.1 7.6 169.4 68 84 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.832 113.0 51.8 -72.1 -27.8 43.6 7.3 170.6 69 85 A W H X S+ 0 0 73 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.918 108.9 51.0 -71.5 -38.8 43.2 10.0 173.3 70 86 A A H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.890 113.6 44.8 -65.8 -39.3 40.1 8.3 174.6 71 87 A L H X>S+ 0 0 0 -4,-1.9 5,-2.9 2,-0.2 4,-0.5 0.899 110.8 52.0 -73.1 -47.7 41.9 4.9 174.9 72 88 A K H ><5S+ 0 0 72 -4,-2.4 3,-0.8 3,-0.2 -1,-0.2 0.927 115.4 44.1 -48.3 -47.7 45.0 6.3 176.4 73 89 A Q H 3<5S+ 0 0 126 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.904 105.1 58.7 -71.2 -46.3 42.8 8.0 179.0 74 90 A A H 3<5S- 0 0 20 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.523 131.4 -92.9 -61.0 -7.3 40.5 5.0 179.6 75 91 A G T <<5 + 0 0 29 -3,-0.8 -72,-0.3 -4,-0.5 -3,-0.2 0.603 63.1 169.4 111.1 18.4 43.8 3.3 180.6 76 92 A A < + 0 0 5 -5,-2.9 -1,-0.2 1,-0.1 -72,-0.2 -0.247 13.4 173.3 -60.8 143.8 45.2 1.5 177.5 77 93 A E S S+ 0 0 100 -74,-2.0 2,-0.3 1,-0.5 -73,-0.2 0.294 72.5 18.9-131.0 0.5 48.8 0.2 177.7 78 94 A A E -b 4 0A 4 -75,-0.5 -73,-2.6 119,-0.1 -1,-0.5 -0.895 65.0-154.7-170.4 140.0 48.8 -1.6 174.4 79 95 A V E -bd 5 199A 0 119,-2.5 121,-1.8 -2,-0.3 2,-0.6 -0.987 1.9-164.1-127.4 128.9 46.7 -1.4 171.2 80 96 A I E -bd 6 200A 1 -75,-2.7 -73,-1.9 -2,-0.4 2,-0.6 -0.963 15.1-160.4-108.0 119.2 46.2 -4.1 168.6 81 97 A A E -bd 7 201A 0 119,-2.4 121,-2.7 -2,-0.6 2,-0.4 -0.889 4.0-152.1-107.3 118.8 44.8 -2.7 165.4 82 98 A V E - 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