==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID-BINDING PROTEIN 20-MAY-11 2YJL . COMPND 2 MOLECULE: EXOENZYME S SYNTHESIS PROTEIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR T.IZORE,C.PERDU,V.JOB,I.ATREE,E.FAUDRY,A.DESSEN . 327 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17984.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 127 38.8 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 . 3 0.9 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-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 . 47 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 3 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 3 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 3 0 0 0 0 3 5 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 0 3 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 24 A S 0 0 110 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 75.9 14.3 12.9 2.2 2 25 A P - 0 0 22 0, 0.0 55,-2.6 0, 0.0 56,-0.5 -0.253 360.0-156.8 -62.8 144.0 13.3 10.2 4.6 3 26 A K E -A 56 0A 106 53,-0.3 2,-0.3 54,-0.1 53,-0.3 -0.828 14.9-160.3-124.3 149.4 10.1 10.9 6.6 4 27 A V E -A 55 0A 4 51,-2.7 51,-2.7 -2,-0.3 2,-0.5 -0.917 27.0-117.7-121.4 160.5 8.5 9.8 9.9 5 28 A T E -A 54 0A 64 -2,-0.3 85,-2.8 49,-0.2 2,-0.6 -0.811 15.2-165.4-103.7 130.1 4.8 10.1 10.7 6 29 A V E +A 53 0A 0 47,-2.6 47,-2.5 -2,-0.5 2,-0.3 -0.982 44.6 130.3-103.5 114.0 3.4 12.2 13.5 7 30 A G E +Ab 52 92A 5 84,-0.7 86,-2.8 -2,-0.6 2,-0.3 -0.946 17.7 135.6-157.3 178.0 -0.2 10.9 13.7 8 31 A G E -Ab 51 93A 0 43,-1.6 43,-2.1 84,-0.3 2,-0.4 -0.925 50.5 -61.5 168.8-154.5 -3.0 9.6 15.9 9 32 A S E -Ab 50 94A 25 84,-1.0 86,-3.1 -2,-0.3 2,-0.5 -0.981 29.0-144.4-128.4 145.0 -6.7 10.0 16.4 10 33 A V E +Ab 49 95A 0 39,-3.0 39,-2.0 -2,-0.4 2,-0.2 -0.949 42.3 129.1-107.4 128.0 -8.8 13.0 17.4 11 34 A G E + b 0 96A 3 84,-2.2 86,-2.6 -2,-0.5 3,-0.1 -0.768 14.3 101.1-149.0-174.4 -11.9 12.2 19.6 12 35 A G S S+ 0 0 41 -2,-0.2 2,-0.3 84,-0.2 87,-0.2 0.279 74.7 73.3 108.4 -9.3 -13.6 13.2 22.8 13 36 A V S S- 0 0 12 85,-0.1 2,-0.6 68,-0.0 -1,-0.2 -0.972 74.2-129.4-122.7 147.2 -16.5 15.4 21.6 14 37 A S - 0 0 92 -2,-0.3 32,-0.0 1,-0.1 -3,-0.0 -0.877 17.0-172.6 -91.5 120.7 -19.7 14.1 19.8 15 38 A L > - 0 0 8 -2,-0.6 3,-1.6 32,-0.1 -1,-0.1 0.737 19.5-151.2 -84.1 -24.3 -20.4 16.0 16.6 16 39 A Q T 3 - 0 0 171 1,-0.3 30,-0.1 31,-0.1 -2,-0.1 0.932 69.6 -50.0 51.6 51.3 -23.8 14.4 16.0 17 40 A A T 3 S+ 0 0 87 28,-0.7 2,-0.4 1,-0.2 -1,-0.3 0.383 97.9 143.6 71.5 1.3 -23.6 14.8 12.2 18 41 A R < - 0 0 106 -3,-1.6 -1,-0.2 1,-0.1 2,-0.2 -0.570 58.1-112.5 -74.5 128.8 -22.7 18.5 12.2 19 42 A Q + 0 0 102 -2,-0.4 55,-1.9 55,-0.1 2,-0.3 -0.419 51.2 169.2 -60.9 125.8 -20.2 19.5 9.5 20 43 A A E -CD 44 73B 0 24,-3.2 24,-2.2 53,-0.3 2,-0.4 -0.825 30.1-137.0-138.6 166.5 -17.0 20.5 11.2 21 44 A Q E -CD 43 72B 36 51,-2.9 51,-2.6 -2,-0.3 2,-0.5 -0.995 8.5-154.8-126.7 139.3 -13.4 21.3 10.6 22 45 A L E -CD 42 71B 0 20,-2.8 20,-2.6 -2,-0.4 2,-0.6 -0.967 7.7-163.9-110.6 127.0 -10.3 20.2 12.5 23 46 A R E -CD 41 70B 67 47,-2.6 47,-2.5 -2,-0.5 2,-0.5 -0.959 6.7-170.6-112.8 117.3 -7.3 22.4 12.3 24 47 A L E -CD 40 69B 0 16,-2.8 16,-2.2 -2,-0.6 2,-0.5 -0.960 3.3-175.7-112.8 116.7 -4.1 20.7 13.4 25 48 A R E -CD 39 68B 32 43,-2.5 43,-3.0 -2,-0.5 2,-0.5 -0.974 12.0-153.1-114.1 124.5 -0.9 22.8 13.9 26 49 A L E -CD 38 67B 0 12,-2.8 11,-3.3 -2,-0.5 12,-1.4 -0.870 15.9-164.1 -98.5 124.2 2.3 21.1 14.8 27 50 A Y E +CD 36 66B 25 39,-3.5 39,-2.6 -2,-0.5 2,-0.3 -0.800 14.3 168.4-108.3 150.1 4.8 23.4 16.7 28 51 A A E -CD 35 65B 1 7,-2.4 7,-2.9 -2,-0.3 2,-0.7 -0.978 39.2-112.2-148.3 153.3 8.4 23.0 17.3 29 52 A V E -C 34 0B 42 35,-0.7 2,-0.6 -2,-0.3 5,-0.3 -0.807 33.5-167.3 -85.2 118.1 11.1 25.3 18.7 30 53 A V E > S-C 33 0B 44 3,-3.3 3,-1.3 -2,-0.7 -2,-0.0 -0.940 73.9 -21.2-112.8 114.0 13.4 26.1 15.8 31 54 A Q T 3 S- 0 0 169 -2,-0.6 -1,-0.3 1,-0.2 3,-0.1 0.952 131.9 -46.8 42.2 58.0 16.6 27.7 17.0 32 55 A G T 3 S+ 0 0 71 -3,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.370 116.8 110.6 80.9 -3.3 14.9 28.8 20.1 33 56 A R E < -C 30 0B 155 -3,-1.3 -3,-3.3 -5,-0.0 2,-0.6 -0.913 68.4-129.0-107.1 130.3 11.7 30.2 18.5 34 57 A M E +C 29 0B 95 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.3 -0.631 45.0 166.1 -72.0 117.3 8.4 28.5 18.9 35 58 A Q E -C 28 0B 85 -7,-2.9 -7,-2.4 -2,-0.6 2,-0.5 -0.966 44.2-111.2-136.7 148.7 7.1 28.0 15.3 36 59 A T E +C 27 0B 62 -2,-0.3 -9,-0.3 -9,-0.2 3,-0.1 -0.684 32.0 178.1 -72.5 124.9 4.4 26.2 13.4 37 60 A I E + 0 0 61 -11,-3.3 2,-0.3 -2,-0.5 -10,-0.2 0.596 65.0 9.3-104.7 -15.3 6.3 23.6 11.3 38 61 A A E -C 26 0B 12 -12,-1.4 -12,-2.8 2,-0.0 -1,-0.3 -0.983 57.5-170.4-159.2 154.7 3.2 22.0 9.8 39 62 A E E +C 25 0B 65 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.996 4.1 178.1-146.8 138.8 -0.6 22.4 9.5 40 63 A R E -C 24 0B 93 -16,-2.2 -16,-2.8 -2,-0.3 2,-0.4 -0.982 11.5-157.2-131.1 147.1 -3.4 20.2 8.2 41 64 A R E -C 23 0B 142 -2,-0.3 2,-0.4 -18,-0.2 -18,-0.2 -0.985 9.2-166.4-118.0 139.2 -7.2 20.9 8.1 42 65 A Y E -C 22 0B 55 -20,-2.6 -20,-2.8 -2,-0.4 2,-0.6 -0.958 14.1-144.7-118.3 142.1 -9.7 18.1 7.9 43 66 A R E +C 21 0B 165 -2,-0.4 2,-0.3 -22,-0.2 -22,-0.2 -0.934 35.9 162.0-101.0 123.5 -13.4 18.4 7.1 44 67 A V E -C 20 0B 16 -24,-2.2 -24,-3.2 -2,-0.6 3,-0.1 -0.922 40.2-162.6-137.8 159.4 -15.4 15.9 9.1 45 68 A S S S+ 0 0 61 -2,-0.3 -28,-0.7 1,-0.3 2,-0.3 0.180 82.0 21.7-128.4 15.7 -19.0 15.2 10.3 46 69 A G S S- 0 0 37 -30,-0.1 -1,-0.3 -29,-0.1 -32,-0.1 -0.945 82.1 -86.9-167.8 162.1 -18.1 12.7 13.1 47 70 A L S S+ 0 0 37 -2,-0.3 2,-0.2 -34,-0.1 -36,-0.1 -0.909 80.3 59.7-123.3 151.5 -15.3 11.7 15.4 48 71 A P - 0 0 103 0, 0.0 2,-0.4 0, 0.0 -37,-0.2 0.355 62.4-172.9 -82.8 165.5 -12.9 10.1 15.9 49 72 A L E -A 10 0A 31 -39,-2.0 -39,-3.0 -2,-0.2 2,-0.4 -0.997 18.0-138.9-123.3 131.2 -10.7 11.2 13.0 50 73 A R E -A 9 0A 151 -2,-0.4 2,-0.3 -41,-0.2 -41,-0.2 -0.778 27.6-172.8 -83.7 130.1 -7.3 9.6 12.1 51 74 A Y E -A 8 0A 4 -43,-2.1 -43,-1.6 -2,-0.4 2,-0.3 -0.866 9.9-177.4-123.9 161.3 -4.6 12.2 11.3 52 75 A A E -A 7 0A 42 -2,-0.3 2,-0.5 -45,-0.2 -45,-0.2 -0.957 14.3-169.8-156.4 130.8 -1.0 12.1 9.9 53 76 A F E -A 6 0A 0 -47,-2.5 -47,-2.6 -2,-0.3 2,-0.8 -1.000 16.3-153.8-110.1 128.2 1.8 14.5 9.1 54 77 A D E -A 5 0A 83 -2,-0.5 2,-0.4 -49,-0.2 -49,-0.2 -0.881 25.7-179.5 -99.4 108.3 4.6 12.8 7.2 55 78 A L E -A 4 0A 23 -51,-2.7 -51,-2.7 -2,-0.8 5,-0.1 -0.880 33.6-103.1-115.4 139.0 7.6 14.9 8.0 56 79 A E E >> -A 3 0A 76 -2,-0.4 4,-1.4 -53,-0.3 3,-1.0 -0.315 24.5-138.4 -49.7 127.9 11.3 14.8 7.0 57 80 A V H 3> S+ 0 0 0 -55,-2.6 4,-2.1 1,-0.3 -1,-0.2 0.805 104.2 64.1 -61.9 -28.5 13.3 13.3 9.9 58 81 A D H 34 S+ 0 0 81 -56,-0.5 -1,-0.3 1,-0.2 -55,-0.1 0.830 105.7 45.2 -65.3 -29.3 16.0 16.0 9.1 59 82 A R H <4 S+ 0 0 184 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.825 117.1 43.5 -81.3 -30.2 13.3 18.6 10.1 60 83 A L H >< S+ 0 0 1 -4,-1.4 3,-2.3 -5,-0.1 83,-0.5 0.684 81.7 122.2 -88.9 -22.2 12.2 16.7 13.3 61 84 A E T 3< S- 0 0 68 -4,-2.1 83,-0.2 1,-0.3 3,-0.1 -0.187 87.7 -2.5 -54.0 125.4 15.7 15.8 14.6 62 85 A G T 3 S+ 0 0 19 81,-3.1 2,-0.4 1,-0.2 -1,-0.3 0.411 103.2 132.9 83.6 0.3 16.3 17.1 18.1 63 86 A E < - 0 0 34 -3,-2.3 80,-0.5 80,-0.3 2,-0.3 -0.699 54.6-140.8 -99.0 130.3 12.9 18.9 18.3 64 87 A A - 0 0 1 -2,-0.4 -35,-0.7 -35,-0.2 2,-0.4 -0.690 31.0-155.3 -69.9 137.0 10.2 19.0 20.9 65 88 A L E -DE 28 87B 4 22,-0.7 22,-2.2 -2,-0.3 2,-0.4 -0.963 11.9-167.9-121.1 141.6 6.9 18.9 19.0 66 89 A Y E -DE 27 86B 52 -39,-2.6 -39,-3.5 -2,-0.4 2,-0.6 -0.991 9.7-148.4-130.4 135.5 3.5 20.3 20.2 67 90 A L E -DE 26 85B 0 18,-3.2 18,-1.7 -2,-0.4 2,-0.6 -0.909 7.0-167.3-109.8 126.2 0.2 19.6 18.6 68 91 A R E -DE 25 84B 90 -43,-3.0 -43,-2.5 -2,-0.6 2,-0.5 -0.924 10.5-170.1-109.6 119.5 -2.6 22.2 18.7 69 92 A T E -DE 24 83B 0 14,-2.3 14,-2.1 -2,-0.6 2,-0.4 -0.948 3.7-174.9-120.3 127.0 -5.9 20.8 17.7 70 93 A E E -DE 23 82B 23 -47,-2.5 -47,-2.6 -2,-0.5 2,-0.5 -0.975 10.4-157.3-129.3 120.3 -9.0 23.0 17.1 71 94 A L E +DE 22 81B 0 10,-3.0 9,-3.5 -2,-0.4 10,-1.3 -0.808 20.5 168.7 -92.3 127.6 -12.5 22.0 16.2 72 95 A S E -D 21 0B 20 -51,-2.6 -51,-2.9 -2,-0.5 2,-0.4 -0.941 34.9-113.4-128.4 159.0 -14.8 24.4 14.5 73 96 A W E > -D 20 0B 8 5,-0.5 3,-1.9 3,-0.3 -53,-0.3 -0.752 38.8-108.6 -81.2 137.7 -18.2 24.2 12.8 74 97 A V T 3 S+ 0 0 44 -55,-1.9 -55,-0.1 -2,-0.4 3,-0.1 -0.510 108.8 29.1 -63.5 129.3 -18.3 24.8 9.0 75 98 A G T 3 S+ 0 0 79 -2,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.349 107.5 82.9 99.2 -2.4 -19.9 28.2 8.5 76 99 A V < - 0 0 46 -3,-1.9 2,-2.1 2,-0.1 -3,-0.3 -0.955 68.5-147.8-139.2 117.2 -18.8 29.6 11.8 77 100 A A + 0 0 90 -2,-0.4 2,-0.3 -5,-0.1 -3,-0.1 -0.440 63.8 96.8 -89.7 67.8 -15.3 31.1 12.2 78 101 A A S S- 0 0 14 -2,-2.1 -5,-0.5 -5,-0.3 2,-0.3 -0.994 75.4-109.0-155.6 143.7 -14.8 30.2 15.9 79 102 A V + 0 0 38 -2,-0.3 -7,-0.2 28,-0.2 3,-0.1 -0.596 30.2 175.7 -76.9 133.5 -13.1 27.5 18.0 80 103 A Q + 0 0 1 -9,-3.5 20,-2.3 1,-0.5 2,-0.3 0.655 69.0 1.5-107.9 -28.3 -15.6 25.2 19.7 81 104 A A E S+EF 71 99B 0 -10,-1.3 -10,-3.0 18,-0.3 -1,-0.5 -0.973 70.3 174.3-156.1 153.9 -13.3 22.7 21.3 82 105 A S E -EF 70 98B 44 16,-2.0 16,-2.3 -2,-0.3 2,-0.3 -0.969 16.2-154.1-158.8 173.4 -9.5 22.3 21.4 83 106 A A E -E 69 0B 14 -14,-2.1 -14,-2.3 -2,-0.3 2,-0.3 -0.977 1.5-166.5-152.1 150.8 -6.4 20.4 22.7 84 107 A W E +E 68 0B 140 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.952 25.9 146.4-142.8 121.0 -2.8 21.2 23.3 85 108 A Q E -E 67 0B 43 -18,-1.7 -18,-3.2 -2,-0.3 2,-0.2 -0.996 48.7-106.1-151.0 152.8 -0.2 18.5 24.0 86 109 A Q E -E 66 0B 99 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.3 -0.592 44.2-175.9 -70.0 140.1 3.4 17.5 23.5 87 110 A V E -E 65 0B 2 -22,-2.2 -22,-0.7 -2,-0.2 2,-0.3 -0.898 14.4-147.4-133.6 166.5 3.7 14.7 20.8 88 111 A A > - 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