==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-OCT-11 3UE3 . COMPND 2 MOLECULE: SEPTUM FORMATION, PENICILLIN BINDING PROTEIN 3, . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER; . AUTHOR S.HAN . 436 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19666.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 18.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 18 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 2 0 2 2 0 2 1 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 6 2 3 1 0 1 1 3 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 . 4 2 0 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 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 69 A T 0 0 101 0, 0.0 2,-0.3 0, 0.0 78,-0.3 0.000 360.0 360.0 360.0 137.1 -27.2 -8.2 -1.6 2 70 A E E -A 78 0A 73 76,-3.6 76,-2.4 2,-0.0 2,-0.1 -0.974 360.0-109.3-135.3 147.6 -24.3 -7.3 -4.0 3 71 A R E -A 77 0A 160 -2,-0.3 2,-0.6 74,-0.2 74,-0.2 -0.419 16.9-144.2 -76.5 149.4 -24.0 -5.6 -7.4 4 72 A L E -A 76 0A 36 72,-2.6 72,-2.6 84,-0.1 2,-0.2 -0.945 22.8-137.0-114.0 99.5 -23.0 -7.5 -10.6 5 73 A E - 0 0 57 -2,-0.6 2,-0.3 29,-0.5 70,-0.1 -0.420 17.2-125.6 -62.4 126.6 -20.8 -5.1 -12.8 6 74 A A - 0 0 7 -2,-0.2 2,-0.3 66,-0.1 30,-0.1 -0.590 23.4-115.1 -74.8 131.5 -21.7 -5.1 -16.5 7 75 A M - 0 0 67 -2,-0.3 86,-2.8 67,-0.1 2,-0.1 -0.547 35.1-120.1 -67.8 124.1 -18.8 -5.9 -18.9 8 76 A R - 0 0 18 -2,-0.3 14,-0.3 84,-0.2 64,-0.2 -0.448 36.8 -97.1 -67.4 140.0 -18.3 -2.7 -21.0 9 77 A G - 0 0 1 62,-2.5 2,-0.4 85,-0.2 86,-0.2 -0.130 33.5-109.1 -59.4 153.2 -18.7 -3.3 -24.8 10 78 A V - 0 0 34 83,-0.3 86,-2.8 11,-0.1 2,-0.6 -0.710 21.9-152.5 -85.0 131.4 -15.9 -3.9 -27.2 11 79 A I E +Cd 20 96B 1 9,-2.2 8,-2.8 -2,-0.4 9,-1.8 -0.938 28.4 174.3-101.0 119.4 -15.1 -1.0 -29.6 12 80 A S E -Cd 18 97B 18 84,-3.4 86,-3.0 -2,-0.6 88,-0.1 -0.815 30.2-110.2-125.2 166.6 -13.5 -2.6 -32.7 13 81 A D > - 0 0 1 4,-2.0 3,-2.0 -2,-0.3 88,-0.2 -0.308 51.9 -82.9 -80.4 175.7 -12.4 -1.6 -36.2 14 82 A R T 3 S+ 0 0 41 86,-2.6 87,-0.1 1,-0.3 85,-0.1 0.668 130.4 46.7 -52.6 -27.2 -14.1 -2.6 -39.5 15 83 A H T 3 S- 0 0 114 85,-0.2 -1,-0.3 2,-0.1 86,-0.1 0.247 124.7 -98.1-102.4 7.8 -12.3 -6.1 -39.6 16 84 A G < + 0 0 48 -3,-2.0 -2,-0.1 1,-0.3 81,-0.0 0.545 69.1 154.0 86.8 11.6 -13.0 -6.9 -35.9 17 85 A V - 0 0 46 1,-0.1 -4,-2.0 2,-0.0 -1,-0.3 -0.587 50.9-113.7 -70.3 122.3 -9.6 -5.8 -34.5 18 86 A P E +C 12 0B 58 0, 0.0 -6,-0.2 0, 0.0 3,-0.1 -0.384 42.8 166.9 -65.8 130.3 -10.1 -4.8 -30.9 19 87 A L E S+ 0 0 3 -8,-2.8 23,-0.4 1,-0.4 2,-0.3 0.635 75.0 21.0-112.6 -27.4 -9.6 -1.0 -30.2 20 88 A A E S+C 11 0B 0 -9,-1.8 -9,-2.2 20,-0.2 -1,-0.4 -0.933 76.8 171.3-147.2 114.2 -11.1 -0.8 -26.7 21 89 A I E -E 39 0C 38 18,-2.4 18,-2.7 -2,-0.3 2,-0.4 -0.910 24.2-137.4-125.1 156.3 -11.5 -3.9 -24.5 22 90 A S E -E 38 0C 10 -2,-0.3 16,-0.2 -14,-0.3 -15,-0.0 -0.946 15.5-165.6-117.0 132.5 -12.5 -4.7 -20.9 23 91 A T E -E 37 0C 57 14,-2.2 14,-2.2 -2,-0.4 12,-0.1 -0.958 29.9-103.8-118.7 133.5 -10.6 -7.3 -18.7 24 92 A P E -E 36 0C 81 0, 0.0 2,-0.3 0, 0.0 12,-0.2 -0.324 39.7-173.1 -59.7 131.6 -11.9 -8.8 -15.3 25 93 A I E -E 35 0C 76 10,-3.4 10,-3.0 -2,-0.0 2,-0.4 -0.975 10.8-141.6-129.8 137.5 -10.2 -7.3 -12.2 26 94 A M E -E 34 0C 106 -2,-0.3 2,-0.6 8,-0.2 8,-0.2 -0.869 6.5-158.7-110.4 139.5 -10.5 -8.4 -8.6 27 95 A K E E 33 0C 144 6,-2.3 6,-1.1 -2,-0.4 4,-0.0 -0.960 360.0 360.0-112.1 108.3 -10.7 -6.4 -5.3 28 96 A I 0 0 164 -2,-0.6 4,-0.2 4,-0.2 -2,-0.0 -0.658 360.0 360.0 -76.5 360.0 -9.7 -8.6 -2.3 29 ! 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 30 186 A V 0 0 191 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 149.3 -12.7 -12.0 3.5 31 187 A Y - 0 0 162 -4,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.891 360.0-118.4-140.9 168.7 -14.4 -11.6 0.0 32 188 A T - 0 0 76 -2,-0.3 2,-0.4 -4,-0.2 -4,-0.2 -0.779 11.9-154.1-110.6 155.0 -13.7 -10.6 -3.6 33 189 A E E -E 27 0C 87 -6,-1.1 -6,-2.3 -2,-0.3 2,-0.6 -0.997 12.9-146.2-130.5 122.0 -15.2 -7.8 -5.8 34 190 A K E +E 26 0C 110 -2,-0.4 -29,-0.5 -8,-0.2 2,-0.2 -0.835 29.4 156.6 -95.4 120.1 -15.2 -8.1 -9.6 35 191 A S E -E 25 0C 47 -10,-3.0 -10,-3.4 -2,-0.6 2,-0.4 -0.771 35.7-112.7-128.6 172.0 -14.8 -5.0 -11.7 36 192 A Y E -E 24 0C 53 -2,-0.2 2,-0.5 -12,-0.2 -30,-0.0 -0.925 14.5-149.4-118.2 141.2 -13.5 -4.3 -15.3 37 193 A K E -E 23 0C 117 -14,-2.2 -14,-2.2 -2,-0.4 2,-0.3 -0.942 17.6-133.9-109.5 122.6 -10.4 -2.5 -16.5 38 194 A R E -E 22 0C 25 -2,-0.5 2,-0.3 -16,-0.2 -16,-0.2 -0.577 25.5-174.7 -75.2 134.3 -10.5 -0.7 -19.9 39 195 A Y E -E 21 0C 112 -18,-2.7 -18,-2.4 -2,-0.3 109,-0.0 -0.992 17.4-151.6-133.7 138.4 -7.4 -1.3 -22.2 40 196 A Y - 0 0 8 -2,-0.3 -20,-0.2 -20,-0.2 108,-0.2 -0.905 8.4-173.2-114.3 101.5 -6.6 0.3 -25.6 41 197 A P S S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.795 86.4 36.2 -67.1 -31.1 -4.5 -2.1 -27.9 42 198 A Q S > S+ 0 0 71 -23,-0.4 4,-1.0 1,-0.2 5,-0.1 -0.761 86.4 170.3-115.3 73.3 -3.7 0.4 -30.7 43 199 A P H > + 0 0 29 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.947 57.4 33.5 -58.7 -76.3 -3.3 3.6 -28.4 44 200 A Q H 4 S+ 0 0 74 1,-0.2 4,-0.4 2,-0.2 101,-0.3 0.873 116.7 52.1 -52.4 -49.7 -1.9 6.8 -30.0 45 201 A P H 4 S+ 0 0 16 0, 0.0 -1,-0.2 0, 0.0 94,-0.2 0.858 122.6 29.5 -62.6 -30.9 -3.5 6.3 -33.6 46 202 A N H >X S+ 0 0 5 -4,-1.0 4,-2.8 -3,-0.4 3,-1.0 0.577 92.5 95.6-104.0 -12.9 -7.1 5.8 -32.2 47 203 A A H 3X S+ 0 0 3 -4,-1.8 4,-2.0 1,-0.2 -1,-0.1 0.725 81.0 53.5 -49.2 -44.2 -7.1 7.8 -28.9 48 204 A Q H 34 S+ 0 0 7 -4,-0.4 113,-0.4 2,-0.2 -1,-0.2 0.785 119.0 35.4 -69.1 -28.1 -8.6 11.1 -30.2 49 205 A I H <4 S+ 0 0 3 -3,-1.0 14,-2.2 90,-0.2 -2,-0.2 0.855 122.9 42.6 -88.5 -46.3 -11.6 9.3 -31.7 50 206 A I H < S- 0 0 2 -4,-2.8 14,-2.2 12,-0.2 15,-0.2 0.887 90.9-171.3 -71.3 -39.8 -12.1 6.5 -29.1 51 207 A G < - 0 0 1 -4,-2.0 2,-0.3 -5,-0.3 11,-0.2 -0.523 20.4 -73.6 82.3-152.2 -11.6 8.8 -26.1 52 208 A L - 0 0 21 9,-0.5 8,-3.3 -2,-0.2 9,-1.2 -0.969 27.9-128.9-146.7 158.2 -11.2 7.7 -22.4 53 209 A T B -F 59 0D 14 -2,-0.3 6,-0.3 6,-0.3 5,-0.1 -0.620 25.1-112.6-105.8 166.1 -13.1 6.3 -19.4 54 210 A N - 0 0 54 4,-2.0 3,-0.2 -2,-0.2 -1,-0.1 -0.141 36.4-101.9 -78.2-178.8 -13.4 7.4 -15.7 55 211 A S S S+ 0 0 109 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.790 129.9 54.9 -75.0 -28.3 -12.0 5.4 -12.6 56 212 A E S S- 0 0 130 2,-0.1 -1,-0.2 1,-0.0 -3,-0.0 0.589 126.3-106.3 -77.3 -17.2 -15.8 4.5 -12.3 57 213 A G S S+ 0 0 30 1,-0.3 2,-0.3 -3,-0.2 -2,-0.1 0.401 73.9 137.2 103.2 2.8 -15.8 3.2 -15.9 58 214 A R - 0 0 150 1,-0.1 -4,-2.0 -5,-0.1 -1,-0.3 -0.650 60.7-108.8 -85.2 137.8 -17.8 6.1 -17.5 59 215 A G B +F 53 0D 3 5,-0.5 -6,-0.3 -2,-0.3 3,-0.1 -0.437 38.2 171.8 -64.7 126.0 -16.7 7.5 -20.9 60 216 A I + 0 0 82 -8,-3.3 2,-0.3 1,-0.2 -7,-0.2 0.430 62.4 26.8-116.4 -7.0 -15.3 11.1 -20.4 61 217 A E S >> S- 0 0 75 -9,-1.2 4,-1.4 -11,-0.2 3,-0.7 -0.974 105.2 -15.6-153.6 158.1 -14.0 11.8 -23.9 62 218 A G H 3> S- 0 0 8 -2,-0.3 4,-2.5 1,-0.2 3,-0.4 -0.019 118.1 -16.9 50.0-140.5 -14.6 10.8 -27.6 63 219 A L H 3> S+ 0 0 1 -14,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.718 132.3 64.6 -68.7 -25.4 -16.7 7.8 -28.6 64 220 A E H <4 S+ 0 0 0 -14,-2.2 -5,-0.5 -3,-0.7 -1,-0.2 0.905 113.0 36.2 -62.9 -40.0 -16.4 6.3 -25.0 65 221 A M H >< S+ 0 0 96 -4,-1.4 3,-1.8 -3,-0.4 -2,-0.2 0.971 118.5 48.2 -73.9 -60.9 -18.4 9.4 -23.9 66 222 A Q H 3< S+ 0 0 81 -4,-2.5 3,-0.4 1,-0.3 -3,-0.2 0.898 122.2 33.7 -47.7 -54.7 -20.7 9.8 -26.9 67 223 A L T 3X S+ 0 0 15 -4,-2.2 4,-2.3 1,-0.2 -1,-0.3 -0.065 82.6 123.2 -95.4 30.6 -21.8 6.1 -27.0 68 224 A N H <> + 0 0 15 -3,-1.8 4,-2.3 2,-0.2 5,-0.2 0.837 69.9 51.6 -62.0 -40.1 -21.6 5.5 -23.2 69 225 A T H > S+ 0 0 129 -3,-0.4 4,-1.1 -4,-0.2 -1,-0.2 0.923 115.3 42.2 -66.3 -42.6 -25.3 4.3 -22.7 70 226 A R H 4 S+ 0 0 115 1,-0.2 24,-3.1 2,-0.2 -2,-0.2 0.906 120.2 43.4 -68.1 -42.4 -24.9 1.7 -25.4 71 227 A L H < S+ 0 0 0 -4,-2.3 -62,-2.5 22,-0.3 22,-0.3 0.743 109.4 55.8 -74.7 -31.9 -21.4 0.6 -24.3 72 228 A A H < S- 0 0 32 -4,-2.3 21,-0.3 -64,-0.2 -1,-0.2 0.836 82.8-172.4 -73.0 -37.1 -22.0 0.6 -20.4 73 229 A G < - 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