==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GRISEOLUTEATE-BINDING PROTEIN 22-JUN-11 3SK1 . COMPND 2 MOLECULE: EHPR; . SOURCE 2 ORGANISM_SCIENTIFIC: PANTOEA AGGLOMERANS; . AUTHOR W.BLANKENFELDT,S.YU . 492 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22454.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 22.2 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 . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 . 48 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 17.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 4 4 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 6 2 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 4 0 8 7 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 4 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 7 A P 0 0 109 0, 0.0 2,-0.1 0, 0.0 192,-0.0 0.000 360.0 360.0 360.0 131.2 28.5 81.5 6.5 2 8 A T - 0 0 103 1,-0.1 2,-0.7 2,-0.0 147,-0.1 -0.430 360.0-137.0 -68.6 143.1 29.6 83.4 9.6 3 9 A I + 0 0 11 145,-0.6 190,-0.1 -2,-0.1 -1,-0.1 -0.912 34.4 163.0-111.0 107.1 33.3 83.3 10.3 4 10 A T - 0 0 18 -2,-0.7 2,-1.5 188,-0.2 188,-0.4 -0.938 46.4-123.0-124.2 143.7 34.0 82.8 14.0 5 11 A P + 0 0 3 0, 0.0 160,-0.3 0, 0.0 186,-0.2 -0.702 54.3 149.7 -81.0 83.0 37.1 81.7 15.9 6 12 A N + 0 0 11 -2,-1.5 41,-3.3 184,-0.3 2,-0.3 0.092 48.9 66.5-110.8 15.9 35.3 78.8 17.5 7 13 A L E -aB 47 190A 3 183,-1.5 183,-2.3 39,-0.2 2,-0.8 -0.837 56.4-170.0-140.9 98.5 38.2 76.3 17.9 8 14 A Q E -aB 48 189A 14 39,-2.6 41,-2.3 -2,-0.3 2,-0.5 -0.857 20.4-168.0 -87.8 106.9 41.1 77.1 20.2 9 15 A L E -aB 49 188A 4 179,-1.8 179,-2.3 -2,-0.8 2,-0.4 -0.869 7.3-172.7-103.3 125.0 43.6 74.2 19.2 10 16 A V E -aB 50 187A 2 39,-2.6 41,-2.3 -2,-0.5 2,-0.4 -0.968 21.3-130.4-119.3 141.3 46.7 73.5 21.3 11 17 A Y E -a 51 0A 14 175,-2.2 2,-0.3 -2,-0.4 41,-0.2 -0.735 30.8-175.1 -85.0 129.9 49.5 71.1 20.6 12 18 A V - 0 0 4 39,-1.7 42,-0.2 -2,-0.4 3,-0.2 -0.927 29.6-144.5-126.6 154.2 50.3 68.8 23.4 13 19 A S S S+ 0 0 53 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.813 95.7 29.5 -80.5 -35.6 53.1 66.2 23.9 14 20 A N > - 0 0 77 1,-0.1 4,-2.5 37,-0.0 -1,-0.3 -0.883 62.4-167.4-133.8 102.5 50.9 63.8 25.9 15 21 A V H > S+ 0 0 15 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.882 89.4 54.9 -59.6 -40.9 47.1 63.7 25.1 16 22 A E H > S+ 0 0 146 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 111.6 40.8 -54.4 -56.3 46.4 61.6 28.3 17 23 A R H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.881 117.2 50.4 -61.5 -39.9 48.1 64.0 30.8 18 24 A S H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.901 108.9 51.2 -66.3 -37.2 46.6 67.0 29.0 19 25 A T H X S+ 0 0 9 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.969 112.1 46.3 -66.2 -48.9 43.1 65.5 29.0 20 26 A D H X S+ 0 0 67 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.873 114.2 50.8 -55.9 -37.0 43.4 64.9 32.7 21 27 A F H X S+ 0 0 9 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.950 114.2 40.5 -69.3 -49.6 44.8 68.5 33.2 22 28 A Y H X S+ 0 0 1 -4,-2.9 4,-3.0 1,-0.2 5,-0.4 0.890 109.9 59.1 -68.8 -34.8 42.0 70.2 31.2 23 29 A R H X>S+ 0 0 83 -4,-2.7 4,-1.9 -5,-0.3 5,-1.3 0.939 111.9 42.3 -57.3 -41.3 39.4 68.0 32.7 24 30 A F H <5S+ 0 0 42 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.888 115.5 47.6 -73.4 -43.1 40.5 69.3 36.2 25 31 A I H <5S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.916 120.3 37.1 -64.3 -45.2 40.9 72.9 35.2 26 32 A F H <5S- 0 0 1 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.803 95.5-134.5 -81.6 -25.0 37.5 73.1 33.4 27 33 A K T <5S+ 0 0 120 -4,-1.9 2,-0.3 -5,-0.4 -3,-0.2 0.910 72.5 107.7 65.5 47.0 35.5 70.9 35.9 28 34 A K S S- 0 0 10 84,-0.3 3,-2.8 -2,-0.2 -1,-0.2 -0.532 109.6 -23.5 -85.3 146.9 31.2 78.9 24.9 44 50 A G T 3 S- 0 0 12 1,-0.3 -2,-0.2 -2,-0.2 247,-0.1 -0.319 131.0 -25.3 57.1-135.3 28.3 78.4 22.6 45 51 A D T 3 S+ 0 0 50 -4,-0.1 -1,-0.3 245,-0.1 2,-0.1 0.181 108.5 124.0 -92.0 18.5 29.2 75.9 20.0 46 52 A A < - 0 0 5 -3,-2.8 -4,-2.2 -41,-0.1 2,-0.3 -0.401 47.4-144.9 -82.5 157.5 32.9 76.6 20.3 47 53 A L E -aD 7 41A 28 -41,-3.3 -39,-2.6 -6,-0.2 2,-0.5 -0.923 14.7-154.7-123.7 146.2 35.6 74.0 21.1 48 54 A F E -aD 8 40A 0 -8,-2.6 -8,-3.2 -2,-0.3 2,-0.4 -0.973 30.9-175.5-111.6 111.0 38.9 73.8 23.1 49 55 A A E -aD 9 39A 0 -41,-2.3 -39,-2.6 -2,-0.5 2,-0.4 -0.854 20.8-157.3-113.9 143.9 41.0 71.0 21.5 50 56 A I E -aD 10 38A 0 -12,-2.7 -12,-2.6 -2,-0.4 2,-0.4 -0.957 18.8-175.5-116.3 137.4 44.3 69.4 22.4 51 57 A W E > -aD 11 37A 53 -41,-2.3 -39,-1.7 -2,-0.4 3,-0.6 -0.986 27.4-165.5-142.6 124.6 46.2 67.6 19.6 52 58 A S T 3 S+ 0 0 43 -16,-2.4 -15,-0.1 -2,-0.4 -41,-0.1 0.441 81.2 79.7 -87.3 3.0 49.4 65.5 19.6 53 59 A G T 3 S+ 0 0 41 -17,-0.5 -1,-0.2 2,-0.1 3,-0.1 0.350 79.8 80.1 -92.2 6.3 49.7 65.7 15.7 54 60 A G S < S- 0 0 25 -3,-0.6 2,-0.4 -42,-0.2 132,-0.1 -0.152 104.8 -59.6 -91.1-167.5 51.2 69.2 15.6 55 61 A E - 0 0 115 130,-0.2 -1,-0.2 -2,-0.1 -44,-0.1 -0.646 68.6-107.2 -68.5 127.8 54.7 70.3 16.2 56 62 A E - 0 0 130 -2,-0.4 -43,-0.1 1,-0.1 2,-0.1 -0.427 36.0-115.2 -61.5 131.0 55.6 69.2 19.8 57 63 A P - 0 0 10 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.369 19.4-147.2 -72.8 148.9 55.7 72.1 22.4 58 64 A V > - 0 0 60 1,-0.1 3,-1.6 3,-0.1 55,-0.1 -0.988 10.1-140.3-121.9 113.8 58.9 73.1 24.1 59 65 A A T 3 S+ 0 0 67 -2,-0.5 -1,-0.1 1,-0.2 54,-0.0 0.838 99.1 42.6 -20.2 -63.8 58.7 74.5 27.7 60 66 A E T 3 S+ 0 0 159 2,-0.1 -1,-0.2 3,-0.0 54,-0.1 0.228 86.7 101.2 -92.7 8.6 61.4 77.2 27.2 61 67 A I S < S- 0 0 44 -3,-1.6 -3,-0.1 1,-0.0 122,-0.0 -0.852 82.3-109.4 -88.8 127.4 60.4 78.6 23.8 62 68 A P - 0 0 76 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.231 28.9-139.5 -63.4 146.9 58.4 81.8 24.3 63 69 A R - 0 0 33 51,-0.1 114,-0.1 122,-0.1 122,-0.1 -0.798 11.9-162.3-105.8 145.0 54.7 81.9 23.6 64 70 A F S S+ 0 0 13 -2,-0.3 69,-2.5 112,-0.1 2,-0.3 0.039 70.2 42.5-118.7 27.9 52.7 84.6 21.9 65 71 A S E -H 132 0B 24 67,-0.2 51,-0.4 111,-0.0 2,-0.3 -0.939 64.3-142.9-161.8 166.8 49.0 83.8 22.9 66 72 A E E -H 131 0B 2 65,-2.6 65,-2.0 -2,-0.3 2,-0.8 -0.998 19.5-125.3-141.4 150.5 47.1 82.8 26.0 67 73 A I E -Hi 130 117B 6 49,-3.0 51,-2.0 -2,-0.3 2,-0.4 -0.844 40.9-155.1 -89.5 105.9 44.2 80.6 26.9 68 74 A G E -Hi 129 118B 0 61,-2.8 61,-1.8 -2,-0.8 2,-0.5 -0.743 16.5-167.6 -91.8 136.6 41.9 83.0 28.7 69 75 A I E - i 0 119B 0 49,-3.1 51,-2.6 -2,-0.4 2,-0.6 -0.972 9.2-161.8-117.8 112.4 39.3 82.1 31.4 70 76 A M E - i 0 120B 18 56,-0.6 56,-0.3 -2,-0.5 55,-0.2 -0.866 8.8-174.7 -99.1 116.9 37.0 85.0 32.2 71 77 A L E - i 0 121B 10 49,-2.8 51,-3.2 -2,-0.6 6,-0.0 -0.580 37.6-102.7 -97.8 169.3 35.1 84.5 35.5 72 78 A P S S+ 0 0 89 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 0.847 92.0 11.6 -65.1 -40.0 32.3 87.0 36.7 73 79 A T >> - 0 0 73 49,-0.1 4,-1.4 48,-0.1 3,-1.3 -0.940 69.5-112.1-141.8 159.1 34.3 88.9 39.4 74 80 A G H 3> S+ 0 0 23 -2,-0.3 4,-1.9 1,-0.3 5,-0.2 0.814 116.7 62.0 -54.9 -32.1 37.8 89.7 40.8 75 81 A E H 3> S+ 0 0 90 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.685 100.5 51.2 -75.4 -19.5 36.7 87.8 43.9 76 82 A D H <> S+ 0 0 55 -3,-1.3 4,-3.6 2,-0.2 -1,-0.2 0.836 106.9 56.8 -73.6 -38.1 36.1 84.6 41.9 77 83 A V H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.954 109.2 41.9 -59.8 -57.1 39.7 85.0 40.5 78 84 A D H X S+ 0 0 53 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.921 116.0 54.1 -51.6 -43.9 41.4 85.1 43.9 79 85 A K H X S+ 0 0 91 -4,-0.9 4,-1.6 1,-0.2 -2,-0.2 0.959 106.2 49.2 -56.9 -55.5 39.0 82.3 44.9 80 86 A L H X S+ 0 0 10 -4,-3.6 4,-1.8 1,-0.2 -1,-0.2 0.807 110.0 53.8 -56.6 -32.4 40.0 80.0 42.0 81 87 A F H X S+ 0 0 20 -4,-1.8 4,-2.4 2,-0.2 5,-0.4 0.947 102.8 53.0 -70.8 -53.1 43.7 80.5 42.7 82 88 A N H X S+ 0 0 116 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.911 111.6 49.1 -46.3 -46.6 43.7 79.5 46.4 83 89 A E H X S+ 0 0 102 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.927 110.7 47.9 -60.7 -50.6 42.0 76.2 45.3 84 90 A W H < S+ 0 0 3 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.911 116.9 39.0 -64.5 -45.8 44.4 75.4 42.6 85 91 A T H < S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.865 114.1 58.9 -72.5 -32.8 47.7 75.9 44.4 86 92 A K H < S+ 0 0 78 -4,-2.0 -2,-0.2 -5,-0.4 -1,-0.2 0.906 90.6 79.6 -60.6 -50.2 46.1 74.4 47.6 87 93 A Q < - 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