==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (PHOSPHOTRANSFERASE/PEPTIDE) 18-NOV-97 1AZG . 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) . 5095.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 61.1 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 . 13 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 2.8 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 . 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 0 142 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.2 27.8 31.1 11.4 2 92 A P - 0 0 118 0, 0.0 47,-0.0 0, 0.0 0, 0.0 -0.416 360.0-104.5 -61.5 116.5 28.8 27.6 10.3 3 93 A R - 0 0 100 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.139 25.6-136.8 -44.3 135.0 26.7 25.2 12.4 4 94 A P - 0 0 98 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.987 25.9-169.2 -61.7 -63.0 28.8 23.7 15.1 5 95 A L - 0 0 32 1,-0.1 2,-0.9 2,-0.1 46,-0.0 0.889 31.9-110.7 67.3 98.4 27.7 20.0 14.7 6 96 A P - 0 0 37 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.418 36.1-122.6 -61.2 98.1 28.9 18.0 17.6 7 97 A V - 0 0 126 -2,-0.9 3,-0.3 -3,-0.1 -2,-0.1 -0.163 35.2-107.4 -44.5 124.7 31.5 15.7 15.9 8 98 A A - 0 0 22 1,-0.2 2,-1.9 60,-0.1 61,-0.0 0.081 57.9 -60.5 -47.5 173.0 30.3 12.2 16.6 9 99 A P S > S- 0 0 60 0, 0.0 4,-1.5 0, 0.0 3,-0.4 -0.365 86.4 -83.6 -60.8 83.3 32.4 10.1 19.1 10 100 A G T 4 S- 0 0 46 -2,-1.9 2,-2.1 -3,-0.3 3,-0.0 0.054 93.2 -26.9 41.6-160.5 35.7 10.2 17.1 11 101 A S T 4 S- 0 0 95 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 -0.475 115.8 -60.9 -80.8 75.0 35.9 7.5 14.4 12 102 A S T 4 S+ 0 0 109 -2,-2.1 2,-0.5 -3,-0.4 -1,-0.2 0.968 82.0 178.6 48.8 60.5 33.5 5.0 16.1 13 103 A K < 0 0 137 -4,-1.5 -1,-0.2 1,-0.3 0, 0.0 -0.816 360.0 360.0 -97.7 129.3 35.8 4.7 19.1 14 104 A T 0 0 210 -2,-0.5 -1,-0.3 0, 0.0 -2,-0.1 0.993 360.0 360.0 64.2 360.0 34.6 2.4 21.9 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 0 179 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.5 6.9 8.9 6.7 17 85 B T + 0 0 82 55,-0.0 26,-0.7 2,-0.0 2,-0.6 -0.428 360.0 160.1-152.6 71.6 10.1 10.4 8.1 18 86 B L E -A 42 0A 44 24,-0.1 55,-1.6 55,-0.1 2,-0.4 -0.840 15.0-173.7 -99.4 124.3 11.1 9.1 11.5 19 87 B F E -AB 41 72A 27 22,-2.1 22,-1.5 -2,-0.6 2,-0.3 -0.927 10.2-149.5-118.4 141.4 14.7 9.6 12.5 20 88 B V E -AB 40 71A 37 51,-2.0 51,-1.5 -2,-0.4 2,-0.7 -0.775 26.7-107.1-106.9 153.4 16.4 8.3 15.6 21 89 B A E - B 0 70A 3 18,-1.9 17,-1.6 -2,-0.3 18,-0.3 -0.660 22.2-163.7 -80.3 116.2 19.3 9.9 17.5 22 90 B L S S+ 0 0 85 47,-1.5 2,-0.3 -2,-0.7 -1,-0.2 0.639 77.6 17.6 -74.2 -10.0 22.5 7.9 16.8 23 91 B Y S S- 0 0 70 46,-0.7 16,-0.2 13,-0.1 2,-0.1 -0.926 87.1 -97.6-149.5 173.9 24.1 9.6 19.8 24 92 B D - 0 0 77 -2,-0.3 2,-0.3 12,-0.2 12,-0.3 -0.443 33.3-173.6 -92.2 170.8 23.1 11.7 22.9 25 93 B Y B -F 35 0B 29 10,-2.3 10,-2.0 -2,-0.1 2,-0.7 -0.914 20.0-141.6-165.2 135.3 23.2 15.5 23.2 26 94 B E - 0 0 161 -2,-0.3 2,-0.5 8,-0.2 8,-0.2 -0.857 25.5-130.3-105.1 108.3 22.6 18.0 26.0 27 95 B A - 0 0 34 -2,-0.7 7,-0.1 1,-0.2 38,-0.0 -0.346 23.6-174.3 -56.3 106.1 20.7 21.1 24.8 28 96 B R + 0 0 193 -2,-0.5 2,-0.3 5,-0.1 -1,-0.2 0.337 68.3 41.6 -86.9 10.7 23.0 23.9 26.1 29 97 B T S S- 0 0 63 4,-0.1 0, 0.0 1,-0.0 0, 0.0 -0.937 90.5-107.6-146.8 169.5 20.4 26.4 25.0 30 98 B E S S+ 0 0 188 -2,-0.3 -3,-0.0 1,-0.1 -2,-0.0 0.484 116.1 55.2 -80.3 1.4 16.6 26.9 25.0 31 99 B D S S+ 0 0 94 32,-0.1 33,-1.4 2,-0.1 -1,-0.1 0.876 99.3 56.6 -97.7 -55.8 16.7 26.3 21.2 32 100 B D B S-c 64 0A 29 31,-0.2 2,-0.2 1,-0.1 33,-0.2 0.030 81.5-128.3 -64.6-176.5 18.4 22.9 20.8 33 101 B L - 0 0 13 31,-0.5 2,-0.4 30,-0.1 -5,-0.1 -0.725 7.7-127.2-128.2 179.9 17.0 19.8 22.6 34 102 B S + 0 0 77 -2,-0.2 2,-0.3 -8,-0.2 -8,-0.2 -0.989 42.7 119.4-133.0 140.8 18.4 17.1 24.9 35 103 B F B -F 25 0B 7 -10,-2.0 -10,-2.3 -2,-0.4 2,-0.3 -0.967 44.4-111.2-174.6-172.3 18.2 13.3 24.5 36 104 B H > - 0 0 127 -2,-0.3 3,-1.5 -12,-0.3 -15,-0.3 -0.936 49.2 -69.5-138.1 161.8 20.2 10.0 24.2 37 105 B K T 3 S+ 0 0 127 -2,-0.3 -15,-0.2 1,-0.3 3,-0.1 -0.187 120.4 40.4 -49.5 138.2 20.8 7.5 21.4 38 106 B G T 3 S+ 0 0 53 -17,-1.6 2,-0.4 1,-0.3 -1,-0.3 0.371 82.8 129.8 100.9 -5.2 17.6 5.5 20.8 39 107 B E < - 0 0 48 -3,-1.5 -18,-1.9 -18,-0.3 -1,-0.3 -0.693 55.8-131.4 -85.6 129.9 15.3 8.6 21.2 40 108 B K E -A 20 0A 115 -2,-0.4 17,-0.7 -20,-0.2 2,-0.3 -0.423 25.9-171.8 -76.4 154.7 12.8 9.0 18.3 41 109 B F E -AD 19 56A 0 -22,-1.5 -22,-2.1 15,-0.2 2,-0.8 -0.999 22.6-138.4-148.4 144.0 12.6 12.4 16.6 42 110 B Q E -AD 18 55A 56 13,-1.3 13,-0.9 -2,-0.3 2,-0.7 -0.808 18.8-151.6-106.0 97.2 10.2 13.9 14.0 43 111 B I E + D 0 54A 15 -2,-0.8 11,-0.2 -26,-0.7 3,-0.2 -0.515 24.3 167.8 -68.6 110.6 12.2 15.9 11.5 44 112 B L E + 0 0 93 9,-2.3 2,-0.4 -2,-0.7 -1,-0.2 0.870 69.8 18.6 -91.8 -43.2 9.8 18.6 10.3 45 113 B N E + D 0 53A 76 8,-1.0 8,-2.0 1,-0.0 -1,-0.3 -0.972 58.5 159.5-132.1 122.3 12.3 20.9 8.5 46 114 B S + 0 0 58 -2,-0.4 6,-0.1 6,-0.2 -1,-0.0 -0.296 53.5 86.3-135.8 52.8 15.8 19.8 7.4 47 115 B S + 0 0 98 4,-0.1 5,-0.1 0, 0.0 -1,-0.1 0.631 68.8 80.5-120.9 -30.3 16.8 22.3 4.7 48 116 B E S S- 0 0 92 3,-0.1 4,-0.1 2,-0.1 -2,-0.0 0.384 103.8 -36.0 -57.2-153.4 18.4 25.1 6.7 49 117 B G S S- 0 0 37 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.325 91.6 -67.4 -52.3-161.7 22.0 24.8 7.9 50 118 B D S S+ 0 0 86 2,-0.0 17,-2.1 16,-0.0 2,-0.5 0.487 118.3 85.7 -74.3 2.1 23.2 21.3 9.0 51 119 B W E - E 0 66A 15 15,-0.2 2,-0.2 16,-0.1 -4,-0.1 -0.893 61.6-171.1-107.5 127.4 20.8 21.6 12.0 52 120 B W E - E 0 65A 56 13,-1.8 13,-2.0 -2,-0.5 2,-0.7 -0.658 27.1-111.9-109.5 169.2 17.1 20.6 11.5 53 121 B E E +DE 45 64A 50 -8,-2.0 -9,-2.3 11,-0.3 -8,-1.0 -0.865 38.8 178.9-104.5 111.1 14.1 21.0 13.8 54 122 B A E -DE 43 63A 0 9,-1.2 9,-2.1 -2,-0.7 2,-0.5 -0.749 23.2-131.6-108.5 158.6 12.8 17.7 15.2 55 123 B R E -DE 42 62A 102 -13,-0.9 -13,-1.3 -2,-0.3 2,-0.4 -0.924 21.6-123.7-112.1 124.0 9.9 17.2 17.6 56 124 B S E > -D 41 0A 3 5,-1.9 4,-0.7 -2,-0.5 -15,-0.2 -0.471 15.4-159.1 -65.1 117.1 10.5 14.9 20.7 57 125 B L T 4 S+ 0 0 88 -17,-0.7 -1,-0.2 -2,-0.4 -16,-0.1 0.712 90.5 45.5 -71.6 -16.0 7.8 12.2 20.4 58 126 B T T 4 S+ 0 0 109 -18,-0.3 -1,-0.1 3,-0.1 -2,-0.1 0.924 126.2 22.3 -89.9 -68.0 8.3 11.6 24.2 59 127 B T T 4 S- 0 0 78 2,-0.1 -2,-0.1 1,-0.1 3,-0.1 0.970 92.9-138.6 -65.5 -51.2 8.3 15.1 25.8 60 128 B G < + 0 0 38 -4,-0.7 2,-0.3 1,-0.4 -3,-0.1 0.243 60.0 124.7 110.2 -12.7 6.5 16.8 22.9 61 129 B E - 0 0 112 -6,-0.1 -5,-1.9 1,-0.0 -1,-0.4 -0.596 52.7-140.2 -81.2 140.0 8.6 19.9 22.8 62 130 B T E + E 0 55A 71 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.610 32.6 146.9 -97.0 160.7 10.2 20.7 19.4 63 131 B G E - E 0 54A 4 -9,-2.1 -9,-1.2 -2,-0.2 2,-0.5 -0.937 47.9 -80.2-168.9-170.6 13.8 22.1 19.0 64 132 B Y E +cE 32 53A 87 -33,-1.4 -31,-0.5 -2,-0.3 -11,-0.3 -0.934 44.0 177.2-115.3 121.9 16.8 22.1 16.6 65 133 B I E - E 0 52A 0 -13,-2.0 -13,-1.8 -2,-0.5 2,-0.1 -0.849 41.8 -83.6-121.2 159.5 19.2 19.1 16.8 66 134 B P E > - E 0 51A 0 0, 0.0 3,-1.6 0, 0.0 -15,-0.2 -0.365 30.5-146.9 -59.9 125.5 22.3 18.2 14.7 67 135 B S G > S+ 0 0 18 -17,-2.1 3,-1.5 1,-0.3 -16,-0.1 0.847 99.5 61.2 -66.2 -30.1 21.2 16.5 11.5 68 136 B N G 3 S+ 0 0 65 -18,-0.4 -1,-0.3 1,-0.3 -60,-0.1 0.501 98.0 61.2 -75.1 1.4 24.4 14.4 11.6 69 137 B Y G < S+ 0 0 17 -3,-1.6 -47,-1.5 -47,-0.1 -46,-0.7 0.263 102.9 54.3-109.1 11.4 23.1 13.0 14.9 70 138 B V E < -B 21 0A 10 -3,-1.5 -49,-0.2 -49,-0.3 -30,-0.0 -0.991 60.0-176.0-142.9 151.6 19.9 11.5 13.5 71 139 B A E -B 20 0A 27 -51,-1.5 -51,-2.0 -2,-0.3 -3,-0.0 -0.970 37.1 -82.9-145.8 161.0 19.1 9.0 10.7 72 140 B P E B 19 0A 97 0, 0.0 -53,-0.2 0, 0.0 -55,-0.0 -0.218 360.0 360.0 -60.4 149.1 16.1 7.5 8.9 73 141 B V 0 0 143 -55,-1.6 -54,-0.1 -54,-0.0 -55,-0.1 -0.288 360.0 360.0 -49.8 360.0 14.5 4.5 10.6