==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (PHOSPHOTRANSFERASE/PEPTIDE) 05-DEC-97 1A0N . COMPND 2 MOLECULE: PRO-PRO-ARG-PRO-LEU-PRO-VAL-ALA-PRO-GLY-SER-SER- . SOURCE 2 MOL_ID: 2; . AUTHOR D.A.RENZONI,D.J.R.PUGH,G.SILIGARDI,P.DAS,C.J.MORTON,C.ROSSI, . 72 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4947.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 37 51.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 30.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.4 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 . 0 0.0 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 . 6 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 91 A P 0 0 141 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.7 -18.2 -0.1 -28.3 2 92 A P - 0 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.391 360.0-156.1 -59.9 117.2 -14.5 0.1 -27.5 3 93 A R - 0 0 100 -2,-0.3 46,-0.0 1,-0.1 0, 0.0 -0.623 29.1-110.6 -97.8 160.9 -14.2 0.5 -23.7 4 94 A P + 0 0 67 0, 0.0 -1,-0.1 0, 0.0 24,-0.0 0.433 58.2 157.3 -66.5 0.9 -11.3 2.0 -21.7 5 95 A L - 0 0 56 60,-0.1 3,-0.1 1,-0.1 -2,-0.1 -0.014 36.9-143.3 -34.0 96.5 -10.6 -1.5 -20.4 6 96 A P - 0 0 28 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.177 23.2 -92.8 -63.5 159.5 -6.9 -0.9 -19.5 7 97 A V - 0 0 82 1,-0.1 5,-0.1 6,-0.0 6,-0.1 -0.574 41.0-115.8 -77.6 136.0 -4.4 -3.7 -20.1 8 98 A A - 0 0 32 -2,-0.3 4,-0.4 4,-0.1 -1,-0.1 -0.603 30.2-138.8 -75.0 122.9 -3.9 -6.0 -17.1 9 99 A P S > S+ 0 0 51 0, 0.0 3,-1.3 0, 0.0 2,-1.0 0.302 77.9 45.6 -61.0-162.0 -0.3 -5.7 -15.8 10 100 A G T 3 S+ 0 0 76 1,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.424 128.5 26.5 62.7 -99.8 1.6 -8.7 -14.7 11 101 A S T 3 S- 0 0 110 -2,-1.0 -1,-0.3 1,-0.1 3,-0.2 0.685 99.1-176.1 -67.1 -12.5 0.7 -11.1 -17.5 12 102 A S < - 0 0 73 -3,-1.3 2,-0.5 -4,-0.4 -4,-0.1 0.058 40.4 -64.6 42.9-162.9 0.3 -8.0 -19.6 13 103 A K 0 0 159 -6,-0.1 -1,-0.1 -3,-0.1 -6,-0.0 -0.933 360.0 360.0-122.4 113.0 -1.0 -8.7 -23.2 14 104 A T 0 0 198 -2,-0.5 -3,-0.0 -3,-0.2 -2,-0.0 -0.575 360.0 360.0-100.8 360.0 1.2 -10.7 -25.5 15 !* 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 16 84 B V 0 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 85.8 -23.1 -9.9 -0.8 17 85 B T + 0 0 82 2,-0.0 26,-0.8 26,-0.0 2,-0.2 -0.259 360.0 156.6-156.3 59.3 -21.1 -9.1 -3.9 18 86 B L E -A 42 0A 57 24,-0.2 55,-1.5 22,-0.0 2,-0.4 -0.591 19.5-164.6 -88.6 152.3 -18.0 -7.1 -3.1 19 87 B F E -AB 41 72A 26 22,-2.3 22,-1.1 53,-0.3 2,-0.3 -0.997 8.0-145.8-138.4 140.8 -15.0 -7.0 -5.4 20 88 B V E -AB 40 71A 33 51,-2.1 51,-1.3 -2,-0.4 2,-0.7 -0.710 26.3-110.9-102.8 156.9 -11.4 -5.9 -4.8 21 89 B A E - B 0 70A 2 18,-1.5 17,-1.7 -2,-0.3 18,-0.3 -0.752 20.1-165.1 -89.1 118.4 -9.1 -4.2 -7.4 22 100 B L S S+ 0 0 71 47,-1.6 2,-0.3 -2,-0.7 -1,-0.1 0.624 77.9 25.6 -77.0 -9.8 -6.3 -6.6 -8.5 23 101 B Y S S- 0 0 70 46,-0.6 15,-0.1 13,-0.1 16,-0.1 -0.996 86.4-106.1-150.0 154.3 -4.5 -3.6 -10.1 24 102 B D - 0 0 59 -2,-0.3 2,-0.3 12,-0.1 12,-0.3 -0.299 35.9-171.3 -75.4 166.1 -4.3 0.2 -9.6 25 103 B Y E -F 35 0B 14 10,-2.1 10,-1.6 -4,-0.0 2,-0.6 -0.977 20.9-149.3-159.1 144.0 -6.0 2.4 -12.2 26 104 B E E -F 34 0B 113 -2,-0.3 8,-0.2 8,-0.2 6,-0.1 -0.812 26.1-133.0-119.8 93.4 -6.2 6.2 -13.0 27 105 B A - 0 0 16 6,-0.7 7,-0.1 -2,-0.6 38,-0.0 -0.156 10.5-154.6 -43.6 119.7 -9.5 7.2 -14.5 28 106 B R S S+ 0 0 199 5,-0.1 2,-0.2 -24,-0.0 -1,-0.2 0.625 77.7 44.8 -76.7 -9.4 -8.5 9.4 -17.5 29 107 B T S S- 0 0 88 4,-0.1 0, 0.0 1,-0.0 0, 0.0 -0.666 91.5-110.1-123.2-179.1 -11.9 11.1 -17.2 30 108 B E S S+ 0 0 189 -2,-0.2 -3,-0.1 1,-0.1 -1,-0.0 0.584 112.3 58.8 -89.4 -8.9 -14.0 12.5 -14.4 31 109 B D S S+ 0 0 114 32,-0.1 33,-0.6 2,-0.1 -1,-0.1 0.947 94.6 65.1 -83.9 -55.2 -16.6 9.7 -14.8 32 110 B D B S-c 64 0A 22 31,-0.2 2,-0.2 1,-0.1 33,-0.2 -0.009 86.5-119.2 -57.8 174.0 -14.4 6.6 -14.2 33 111 B L - 0 0 5 31,-1.1 -6,-0.7 28,-0.0 2,-0.4 -0.725 13.9-137.7-115.1 167.9 -12.9 6.2 -10.8 34 112 B S E +F 26 0B 66 -2,-0.2 2,-0.2 -8,-0.2 -8,-0.2 -0.983 37.3 131.5-128.3 134.8 -9.3 6.0 -9.6 35 113 B F E -F 25 0B 12 -10,-1.6 -10,-2.1 -2,-0.4 2,-0.3 -0.866 41.0-112.3-158.8-167.8 -7.8 3.6 -7.0 36 114 B H > - 0 0 117 -12,-0.3 3,-1.4 -2,-0.2 -15,-0.3 -0.959 50.2 -67.6-139.7 158.5 -5.0 1.2 -6.3 37 115 B K T 3 S+ 0 0 138 -2,-0.3 -15,-0.2 1,-0.3 -13,-0.1 -0.171 123.3 38.8 -45.0 123.3 -4.6 -2.6 -5.9 38 116 B G T 3 S+ 0 0 50 -17,-1.7 2,-0.4 1,-0.3 -1,-0.3 0.433 80.6 135.8 111.3 1.6 -6.4 -3.4 -2.6 39 117 B E < - 0 0 51 -3,-1.4 -18,-1.5 -18,-0.3 -1,-0.3 -0.680 49.3-135.4 -85.0 131.8 -9.3 -1.0 -3.0 40 118 B K E -A 20 0A 80 -2,-0.4 17,-0.4 -20,-0.2 2,-0.3 -0.489 23.8-172.1 -81.9 155.3 -12.7 -2.4 -2.1 41 119 B F E -A 19 0A 1 -22,-1.1 -22,-2.3 15,-0.2 2,-0.8 -0.990 21.5-144.8-150.4 140.5 -15.7 -1.8 -4.5 42 120 B Q E -AD 18 55A 60 13,-1.3 13,-0.9 -2,-0.3 2,-0.3 -0.853 20.3-151.7-108.0 102.3 -19.5 -2.4 -4.4 43 121 B I E + D 0 54A 21 -26,-0.8 11,-0.2 -2,-0.8 3,-0.1 -0.556 20.1 174.1 -74.2 128.9 -20.8 -3.3 -7.8 44 122 B L E S+ 0 0 98 9,-2.3 2,-0.3 1,-0.4 -1,-0.2 0.713 71.8 10.3-104.7 -29.1 -24.4 -2.3 -8.3 45 123 B N E + D 0 53A 80 8,-0.8 8,-2.1 1,-0.1 -1,-0.4 -0.960 52.4 157.4-152.4 130.9 -24.8 -3.1 -12.0 46 124 B S + 0 0 52 -2,-0.3 3,-0.3 6,-0.2 -1,-0.1 0.238 61.7 84.3-137.2 11.2 -22.4 -5.0 -14.4 47 125 B S S S+ 0 0 120 1,-0.2 3,-0.1 3,-0.0 5,-0.1 -0.026 73.9 77.4-105.2 32.1 -24.8 -6.2 -17.1 48 126 B E S S- 0 0 81 1,-0.5 -1,-0.2 3,-0.3 2,-0.2 -0.156 110.8 -35.0-130.7 40.8 -24.7 -2.9 -19.1 49 127 B G S S- 0 0 30 -3,-0.3 -1,-0.5 1,-0.1 0, 0.0 -0.557 81.1 -68.8 127.3 166.1 -21.3 -3.2 -20.9 50 128 B D S S+ 0 0 97 -2,-0.2 17,-1.0 -3,-0.1 2,-0.4 0.732 117.2 74.3 -64.2 -16.7 -17.8 -4.6 -20.1 51 129 B W E S- E 0 66A 9 15,-0.2 -3,-0.3 -3,-0.2 2,-0.3 -0.784 72.0-157.5 -98.8 139.8 -17.5 -1.8 -17.5 52 130 B W E - E 0 65A 59 13,-1.8 13,-2.3 -2,-0.4 2,-0.7 -0.791 21.0-115.0-113.5 159.4 -19.5 -2.0 -14.2 53 131 B E E +DE 45 64A 38 -8,-2.1 -9,-2.3 -2,-0.3 -8,-0.8 -0.804 40.9 177.2 -94.4 113.6 -20.6 0.8 -11.8 54 132 B A E -DE 43 63A 0 9,-1.1 9,-2.3 -2,-0.7 2,-0.5 -0.830 20.8-144.7-115.7 156.1 -18.8 0.3 -8.5 55 133 B R E -DE 42 62A 77 -13,-0.9 -13,-1.3 -2,-0.3 2,-0.3 -0.959 20.2-125.9-122.4 120.8 -18.9 2.5 -5.3 56 134 B S > - 0 0 0 5,-2.1 4,-1.6 -2,-0.5 -15,-0.2 -0.448 13.0-156.8 -64.1 122.2 -15.8 2.9 -3.1 57 135 B L T 4 S+ 0 0 80 -17,-0.4 -1,-0.2 -2,-0.3 -16,-0.1 0.478 91.9 49.1 -80.2 1.7 -16.8 1.9 0.4 58 136 B T T 4 S+ 0 0 117 -18,-0.3 -1,-0.2 3,-0.1 -2,-0.1 0.782 122.9 25.4-106.6 -41.7 -13.9 4.1 1.7 59 137 B T T 4 S- 0 0 95 2,-0.2 -2,-0.2 0, 0.0 3,-0.1 0.835 93.0-134.9 -91.5 -36.7 -14.4 7.4 -0.2 60 138 B G < + 0 0 47 -4,-1.6 2,-0.2 1,-0.4 -3,-0.1 0.429 61.2 129.1 96.6 -1.7 -18.1 7.0 -0.8 61 139 B E - 0 0 90 -5,-0.1 -5,-2.1 -6,-0.0 2,-0.4 -0.585 44.3-152.5 -86.4 150.2 -17.8 8.1 -4.4 62 140 B T E + E 0 55A 73 -7,-0.2 -7,-0.2 -2,-0.2 2,-0.2 -0.940 31.4 125.5-123.7 146.1 -19.4 6.0 -7.2 63 141 B G E - E 0 54A 4 -9,-2.3 -9,-1.1 -2,-0.4 2,-0.4 -0.782 55.7 -67.1-165.1-150.2 -18.4 5.6 -10.9 64 142 B Y E +cE 32 53A 95 -33,-0.6 -31,-1.1 -11,-0.3 -11,-0.2 -0.973 43.2 177.7-126.1 137.6 -17.4 3.0 -13.4 65 143 B I E - E 0 52A 0 -13,-2.3 -13,-1.8 -2,-0.4 2,-0.2 -0.941 42.7 -79.4-136.5 160.5 -14.3 0.8 -13.5 66 144 B P E > - E 0 51A 0 0, 0.0 3,-1.6 0, 0.0 -15,-0.2 -0.344 32.7-150.3 -57.2 121.5 -12.9 -2.0 -15.6 67 145 B S G > S+ 0 0 18 -17,-1.0 3,-1.4 1,-0.3 -16,-0.1 0.822 96.4 63.5 -67.4 -26.9 -14.7 -5.2 -14.6 68 146 B N G 3 S+ 0 0 66 1,-0.3 -1,-0.3 -18,-0.2 -17,-0.1 0.513 97.5 59.2 -75.2 0.0 -11.5 -7.2 -15.5 69 147 B Y G < S+ 0 0 8 -3,-1.6 -47,-1.6 -48,-0.1 -46,-0.6 0.312 100.9 61.9-108.9 7.9 -9.8 -5.3 -12.7 70 148 B V E < -B 21 0A 11 -3,-1.4 -49,-0.2 -49,-0.2 -30,-0.0 -0.962 57.4-177.5-133.6 152.4 -12.1 -6.5 -9.9 71 149 B A E -B 20 0A 34 -51,-1.3 -51,-2.1 -2,-0.3 2,-0.4 -0.993 42.9 -84.7-147.8 152.8 -13.0 -9.9 -8.4 72 150 B P E B 19 0A 99 0, 0.0 -53,-0.3 0, 0.0 -55,-0.0 -0.384 360.0 360.0 -58.8 109.9 -15.3 -11.3 -5.7 73 151 B V 0 0 120 -55,-1.5 -54,-0.1 -2,-0.4 -33,-0.0 0.938 360.0 360.0 -62.5 360.0 -13.4 -10.9 -2.5