==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-MAR-04 1SQ4 . COMPND 2 MOLECULE: GLYOXYLATE-INDUCED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR F.FOROUHAR,Y.CHEN,R.XIAO,T.B.ACTON,G.T.MONTELIONE,J.F.HUNT,L . 537 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25318.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 212 39.5 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 . 7 1.3 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 . 65 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 6.9 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+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 . 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 PARALLEL BRIDGES PER LADDER . 3 8 0 14 4 3 3 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 2 0 0 0 2 0 2 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 3 A K 0 0 227 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.8 14.5 88.4 26.9 2 4 A S - 0 0 30 108,-0.1 2,-0.3 1,-0.0 156,-0.1 -0.577 360.0-144.6 -86.3 147.1 17.9 90.0 26.6 3 5 A S - 0 0 64 -2,-0.2 2,-0.4 108,-0.0 91,-0.1 -0.750 10.4-165.5-108.6 155.8 21.1 88.1 25.6 4 6 A Y - 0 0 21 89,-0.3 2,-0.2 -2,-0.3 212,-0.2 -0.997 20.8-122.0-143.3 135.5 24.6 88.6 26.8 5 7 A Y - 0 0 63 210,-1.9 228,-0.1 -2,-0.4 89,-0.0 -0.507 29.2-175.8 -76.3 145.6 27.9 87.3 25.4 6 8 A A - 0 0 9 -2,-0.2 -2,-0.0 226,-0.1 209,-0.0 -0.970 25.4-117.4-146.3 126.6 30.1 85.2 27.7 7 9 A P - 0 0 0 0, 0.0 28,-0.1 0, 0.0 226,-0.0 -0.185 23.8-179.3 -58.7 152.9 33.6 83.8 27.1 8 10 A H - 0 0 107 26,-0.3 2,-0.6 1,-0.2 27,-0.1 0.386 26.9-146.2-131.5 -9.8 34.0 80.1 27.1 9 11 A G + 0 0 21 25,-0.4 -1,-0.2 26,-0.0 25,-0.0 -0.678 39.1 141.7 83.2-119.9 37.7 79.8 26.4 10 12 A G - 0 0 25 -2,-0.6 26,-1.3 1,-0.2 27,-0.2 -0.131 58.0-103.2 68.8-172.3 38.8 76.8 24.4 11 13 A H - 0 0 143 24,-0.2 -1,-0.2 25,-0.1 24,-0.1 -0.330 39.4-174.6-149.3 59.8 41.5 77.1 21.8 12 14 A P 0 0 88 0, 0.0 -3,-0.0 0, 0.0 -2,-0.0 -0.208 360.0 360.0 -57.2 145.2 40.0 77.2 18.3 13 15 A A 0 0 152 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.348 360.0 360.0 -96.3 360.0 42.4 77.2 15.3 14 ! 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 15 19 A L 0 0 230 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.9 44.8 83.3 7.4 16 20 A L - 0 0 159 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.989 360.0-140.9-156.4 149.2 43.9 86.5 9.1 17 21 A T - 0 0 128 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.691 40.6 -93.9 -79.7-119.4 45.5 89.1 11.3 18 22 A D - 0 0 99 2,-0.1 -1,-0.1 1,-0.0 0, 0.0 -0.930 2.5-131.1-170.8 144.8 43.6 90.7 14.2 19 23 A R + 0 0 90 -2,-0.3 2,-0.2 2,-0.1 9,-0.1 0.388 64.8 128.8 -79.4 4.4 41.4 93.7 15.2 20 24 A A - 0 0 26 9,-0.1 2,-0.3 7,-0.1 9,-0.2 -0.410 37.9-176.0 -63.5 129.0 43.5 94.3 18.3 21 25 A X E -A 28 0A 90 7,-2.3 7,-1.0 -2,-0.2 2,-0.3 -0.937 23.6-177.3-132.7 153.4 44.6 98.0 18.5 22 26 A F E +A 27 0A 131 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.839 22.7 153.2-149.6 104.5 46.7 100.2 20.7 23 27 A T - 0 0 28 3,-3.4 -2,-0.0 -2,-0.3 0, 0.0 -0.478 58.6 -93.8-119.2-166.1 46.9 103.9 19.9 24 28 A E S S+ 0 0 142 -2,-0.2 3,-0.1 1,-0.1 33,-0.0 0.511 123.8 32.4 -91.4 -0.5 47.6 107.0 21.8 25 29 A A S S+ 0 0 14 1,-0.3 214,-2.3 198,-0.1 215,-0.4 0.538 125.2 5.3-125.6 -20.8 43.9 107.6 22.3 26 30 A Y E - B 0 238A 3 212,-0.2 -3,-3.4 213,-0.1 2,-0.3 -0.970 48.6-144.6-159.5 173.4 42.4 104.2 22.5 27 31 A A E -AB 22 237A 0 210,-1.6 210,-2.9 -2,-0.3 2,-0.5 -0.973 10.7-159.0-147.7 128.7 42.8 100.4 22.6 28 32 A V E -AB 21 236A 0 -7,-1.0 -7,-2.3 -2,-0.3 208,-0.2 -0.956 7.0-168.8-112.4 128.9 40.5 97.8 21.1 29 33 A I E - B 0 235A 28 206,-3.5 206,-2.6 -2,-0.5 -9,-0.1 -0.944 14.6-141.1-122.7 111.1 40.7 94.2 22.5 30 34 A P > - 0 0 5 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.202 22.6-116.2 -64.5 156.2 38.9 91.5 20.5 31 35 A K G > S+ 0 0 65 1,-0.3 3,-1.3 2,-0.2 203,-0.1 0.756 105.6 80.1 -65.3 -23.1 37.0 88.7 22.2 32 36 A G G 3 S+ 0 0 51 1,-0.3 -1,-0.3 3,-0.0 202,-0.0 0.487 77.4 71.8 -64.7 -1.5 39.5 86.2 20.7 33 37 A V G < S+ 0 0 60 -3,-1.3 2,-2.4 1,-0.1 -1,-0.3 0.873 71.1 91.0 -80.0 -38.0 41.9 87.0 23.4 34 38 A X < + 0 0 28 -3,-1.3 -25,-0.4 -4,-0.3 -26,-0.3 -0.335 61.0 155.6 -60.1 76.5 39.9 85.2 26.1 35 39 A R > - 0 0 81 -2,-2.4 3,-0.7 1,-0.1 -24,-0.2 -0.504 53.5-111.8-100.9 173.4 41.7 81.9 25.7 36 40 A D G > S+ 0 0 42 -26,-1.3 3,-1.8 1,-0.2 -25,-0.1 0.958 111.8 52.0 -69.8 -52.0 42.0 79.0 28.2 37 41 A I G 3 S+ 0 0 158 1,-0.3 -1,-0.2 -27,-0.2 -3,-0.0 0.341 105.5 58.4 -69.6 9.0 45.8 79.3 28.8 38 42 A V G < S+ 0 0 69 -3,-0.7 14,-0.4 -5,-0.1 -1,-0.3 0.320 78.9 118.2-120.4 8.4 45.5 82.9 29.6 39 43 A T < - 0 0 31 -3,-1.8 2,-0.2 12,-0.1 12,-0.2 -0.226 49.8-143.5 -71.9 162.3 43.1 82.8 32.5 40 44 A S B -H 50 0B 41 10,-2.8 10,-1.3 2,-0.0 2,-0.3 -0.694 6.1-143.2-122.9 177.0 43.9 83.9 36.0 41 45 A H - 0 0 132 -2,-0.2 8,-0.1 8,-0.2 0, 0.0 -0.946 1.7-152.0-142.7 159.8 43.2 82.9 39.6 42 46 A L > - 0 0 52 -2,-0.3 3,-1.0 6,-0.1 6,-0.1 -0.970 32.2 -99.0-133.5 148.6 42.6 84.3 43.1 43 47 A P T 3 S+ 0 0 87 0, 0.0 36,-0.1 0, 0.0 3,-0.1 -0.308 104.3 21.8 -62.6 147.5 43.2 83.0 46.6 44 48 A F T 3 S+ 0 0 98 1,-0.2 2,-0.5 34,-0.1 35,-0.5 0.739 91.3 128.1 69.9 23.6 40.3 81.4 48.4 45 49 A W < - 0 0 29 -3,-1.0 3,-0.4 32,-0.1 2,-0.4 -0.955 44.8-153.1-118.6 125.9 38.4 80.6 45.2 46 50 A D E S- I 0 76B 79 30,-2.6 30,-2.3 -2,-0.5 26,-0.1 -0.795 75.2 -8.4 -96.9 135.3 37.0 77.2 44.5 47 51 A N E S+ 0 0 90 -2,-0.4 25,-2.2 28,-0.2 2,-0.4 0.880 98.0 143.8 48.0 51.4 36.5 76.0 40.9 48 52 A X E + I 0 71B 14 -3,-0.4 2,-0.3 23,-0.2 23,-0.2 -0.948 26.3 168.9-126.7 140.6 37.1 79.5 39.5 49 53 A R E - I 0 70B 56 21,-1.7 21,-3.5 -2,-0.4 2,-0.3 -0.986 14.8-175.7-141.7 141.5 38.8 80.8 36.3 50 54 A X E -HI 40 69B 5 -10,-1.3 -10,-2.8 -2,-0.3 2,-0.6 -0.988 25.5-131.2-144.3 154.7 38.7 84.4 35.1 51 55 A W E - I 0 68B 3 17,-1.8 17,-1.7 -2,-0.3 2,-0.3 -0.912 28.9-143.1-104.7 122.9 39.8 86.6 32.2 52 56 A V E + I 0 67B 60 -2,-0.6 2,-0.2 -14,-0.4 15,-0.2 -0.627 20.4 178.2 -89.0 146.8 41.5 89.8 33.3 53 57 A I E + I 0 66B 17 13,-1.9 13,-0.7 -2,-0.3 2,-0.3 -0.691 31.7 120.2-148.9 86.9 41.0 93.1 31.5 54 58 A A + 0 0 34 -2,-0.2 11,-0.1 11,-0.2 8,-0.1 -0.910 59.6 28.8-142.4 167.7 42.9 95.9 33.1 55 59 A R + 0 0 173 6,-0.8 -1,-0.1 9,-0.4 7,-0.1 0.882 60.8 172.2 44.0 51.7 45.7 98.4 32.1 56 60 A P + 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.858 69.6 15.0 -55.8 -35.5 44.6 98.3 28.4 57 61 A L S S- 0 0 16 4,-0.1 -30,-0.1 -30,-0.1 -33,-0.1 -0.949 93.1 -94.1-138.9 156.7 47.0 101.1 27.7 58 62 A S S S+ 0 0 95 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 -0.075 85.2 31.0 -65.9 168.9 49.9 102.7 29.6 59 63 A G S S+ 0 0 54 1,-0.1 2,-2.2 2,-0.1 -2,-0.0 -0.611 115.4 15.1 89.7-143.9 49.6 105.7 31.8 60 64 A F S S+ 0 0 89 -2,-0.3 149,-0.1 1,-0.2 -1,-0.1 -0.463 90.4 109.5 -74.2 78.7 46.5 106.6 33.8 61 65 A A + 0 0 5 -2,-2.2 -6,-0.8 2,-0.1 -1,-0.2 -0.190 43.0 90.4-146.3 44.2 44.8 103.3 33.6 62 66 A E + 0 0 157 -8,-0.1 -2,-0.1 -7,-0.1 -1,-0.0 0.107 59.5 92.8-125.7 18.2 44.9 101.8 37.0 63 67 A T S S+ 0 0 22 76,-0.1 77,-0.5 1,-0.1 2,-0.3 0.928 88.5 34.4 -77.9 -46.1 41.7 103.2 38.4 64 68 A F - 0 0 15 75,-0.1 -9,-0.4 195,-0.1 2,-0.4 -0.707 59.8-163.7-111.3 161.5 39.5 100.2 37.4 65 69 A S E - J 0 138B 17 73,-1.5 73,-3.4 -2,-0.3 2,-0.4 -0.993 9.8-169.2-140.6 134.5 39.9 96.5 37.3 66 70 A Q E -IJ 53 137B 0 -13,-0.7 -13,-1.9 -2,-0.4 2,-0.3 -0.992 4.6-178.8-129.9 135.4 37.5 94.2 35.4 67 71 A Y E -IJ 52 136B 31 69,-1.6 69,-2.6 -2,-0.4 2,-0.6 -0.949 21.4-147.2-130.2 154.1 37.4 90.4 35.5 68 72 A I E -IJ 51 135B 2 -17,-1.7 -17,-1.8 -2,-0.3 2,-0.4 -0.899 28.6-160.7-122.6 97.9 35.1 87.9 33.8 69 73 A V E -IJ 50 134B 0 65,-2.1 65,-1.9 -2,-0.6 2,-0.6 -0.651 13.0-163.5 -88.9 133.8 34.7 85.0 36.2 70 74 A E E -IJ 49 133B 11 -21,-3.5 -21,-1.7 -2,-0.4 2,-0.5 -0.954 8.6-167.2-116.2 115.1 33.6 81.5 35.4 71 75 A L E -IJ 48 132B 0 61,-2.5 61,-2.2 -2,-0.6 -23,-0.2 -0.903 9.3-148.0-105.8 129.8 32.4 79.4 38.3 72 76 A A E > - 0 0 24 -25,-2.2 3,-2.7 -2,-0.5 54,-0.2 -0.399 52.8 -58.9 -83.4 167.7 32.0 75.7 37.8 73 77 A P E 3 S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 54,-0.2 -0.208 131.1 13.6 -50.8 137.4 29.3 74.0 39.8 74 78 A N E 3 S+ 0 0 114 52,-2.5 53,-0.1 54,-0.4 -28,-0.1 0.513 101.5 137.5 73.5 7.6 29.9 74.5 43.5 75 79 A G E < + 0 0 0 -3,-2.7 51,-2.5 51,-0.2 2,-0.3 -0.328 20.6 76.5 -82.2 166.1 32.4 77.2 42.7 76 80 A G E -IK 46 125B 0 -30,-2.3 -30,-2.6 49,-0.2 2,-0.3 -0.974 62.3 -93.9 138.4-152.2 32.8 80.6 44.4 77 81 A S E - K 0 124B 1 47,-2.5 47,-1.3 -2,-0.3 -32,-0.1 -0.971 7.0-149.9-168.0 150.2 34.3 81.9 47.7 78 82 A D S S+ 0 0 101 -34,-0.4 44,-0.1 -2,-0.3 -33,-0.1 0.443 107.6 38.8-102.0 -0.7 33.6 82.9 51.3 79 83 A K S S+ 0 0 111 -35,-0.5 -1,-0.2 45,-0.1 44,-0.1 -0.482 72.6 155.0-143.3 61.7 36.4 85.5 51.3 80 84 A P + 0 0 11 0, 0.0 2,-0.4 0, 0.0 43,-0.1 0.896 62.3 45.5 -60.0 -47.9 36.0 87.0 47.8 81 85 A E + 0 0 38 41,-0.2 41,-0.1 1,-0.1 0, 0.0 -0.863 51.0 176.3-106.5 135.5 37.5 90.4 48.4 82 86 A Q + 0 0 115 -2,-0.4 -1,-0.1 1,-0.1 0, 0.0 0.598 62.7 85.7-105.3 -18.3 40.8 91.0 50.3 83 87 A D > - 0 0 44 1,-0.1 3,-1.1 2,-0.0 36,-0.5 -0.784 61.2-160.0 -92.8 114.3 40.9 94.7 49.8 84 88 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 36,-0.1 0.684 92.8 48.5 -63.9 -21.7 39.0 96.7 52.4 85 89 A N T 3 S+ 0 0 98 33,-0.2 56,-2.5 34,-0.1 2,-0.3 0.497 85.8 111.1 -98.4 -4.6 38.8 99.8 50.2 86 90 A A E < -L 140 0B 7 -3,-1.1 33,-0.7 54,-0.2 2,-0.3 -0.535 47.2-168.4 -75.4 127.8 37.7 97.9 47.1 87 91 A E E -L 139 0B 0 52,-3.1 52,-1.5 -2,-0.3 2,-0.3 -0.747 14.7-166.7-106.4 160.7 34.1 98.6 45.9 88 92 A A E -LM 138 116B 3 28,-2.6 28,-2.1 -2,-0.3 2,-0.4 -0.935 27.0-151.8-147.9 170.6 32.5 96.4 43.3 89 93 A V E -LM 137 115B 1 48,-1.0 48,-2.1 -2,-0.3 2,-0.5 -0.964 17.4-158.0-143.8 121.7 29.8 95.8 40.7 90 94 A L E +LM 136 114B 2 24,-3.0 24,-2.7 -2,-0.4 2,-0.4 -0.894 11.2 179.7-105.3 132.1 28.8 92.2 39.8 91 95 A F E -LM 135 113B 0 44,-2.0 44,-2.3 -2,-0.5 2,-0.3 -0.864 15.4-150.3-136.2 102.1 27.0 91.6 36.5 92 96 A V E +L 134 0B 1 20,-1.7 19,-3.2 -2,-0.4 42,-0.3 -0.526 19.5 172.5 -76.8 132.4 26.0 88.1 35.6 93 97 A V E + 0 0 5 40,-2.7 2,-0.3 1,-0.3 -89,-0.3 0.581 67.9 18.9-111.4 -17.8 25.9 87.3 31.9 94 98 A E E S+L 133 0B 61 39,-1.9 39,-3.8 -91,-0.1 -1,-0.3 -0.949 108.1 1.5-158.0 135.0 25.3 83.5 31.9 95 99 A G S S- 0 0 24 -2,-0.3 2,-0.5 37,-0.3 37,-0.2 -0.365 88.5 -62.3 87.2-169.1 24.1 81.1 34.5 96 100 A E - 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