==== 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 PEPTIDOGLYCAN-BINDING PROTEIN 09-MAY-08 3D30 . COMPND 2 MOLECULE: EXPANSIN LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR F.KERFF,S.PETRELLA,R.HERMAN,E.SAUVAGE,B.JORIS,P.CHARLIER . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 29.3 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 . 15 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 1 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 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 0 1 1 3 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 1 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 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 1 A M 0 0 191 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -53.6 -37.9 29.0 13.4 2 2 A A > - 0 0 33 1,-0.1 3,-1.8 0, 0.0 0, 0.0 -0.978 360.0-121.7-130.3 151.6 -37.0 29.3 9.7 3 3 A Y T 3 S+ 0 0 38 -2,-0.3 102,-0.6 1,-0.3 -1,-0.1 0.810 111.0 45.2 -60.2 -33.7 -39.0 31.4 7.2 4 4 A D T 3 S+ 0 0 64 100,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.137 82.4 132.7-101.4 19.1 -39.8 28.5 4.9 5 5 A D < - 0 0 56 -3,-1.8 100,-0.3 1,-0.1 2,-0.3 -0.314 67.3 -97.7 -66.3 153.5 -40.7 26.0 7.6 6 6 A L - 0 0 85 98,-0.1 2,-0.4 96,-0.1 98,-0.2 -0.581 37.3-154.9 -76.6 132.6 -43.9 24.1 7.0 7 7 A H E -A 103 0A 44 96,-3.6 96,-2.3 -2,-0.3 2,-0.4 -0.899 1.6-150.3-104.8 139.0 -47.1 25.5 8.8 8 8 A E E +A 102 0A 146 -2,-0.4 2,-0.2 94,-0.2 94,-0.2 -0.922 41.7 111.0-105.1 135.1 -50.1 23.4 9.7 9 9 A G E -A 101 0A 17 92,-2.2 92,-2.7 -2,-0.4 2,-0.3 -0.830 56.6 -79.0-167.1-152.7 -53.5 25.0 9.7 10 10 A Y E -A 100 0A 63 90,-0.3 71,-2.1 -2,-0.2 2,-0.4 -0.870 27.5-150.7-130.7 158.2 -56.9 25.2 8.1 11 11 A A E +Ab 99 81A 0 88,-2.3 88,-2.1 -2,-0.3 2,-0.2 -0.998 12.8 176.1-131.9 139.3 -58.3 27.0 5.0 12 12 A T E - b 0 82A 29 69,-1.8 71,-2.7 -2,-0.4 2,-0.3 -0.586 29.5-121.2-111.6-173.7 -61.7 28.3 4.1 13 13 A Y E + b 0 83A 91 84,-0.4 2,-0.3 69,-0.3 71,-0.2 -0.937 28.7 172.9-130.7 160.7 -62.4 30.2 0.8 14 14 A T - 0 0 40 69,-2.3 3,-0.2 -2,-0.3 68,-0.0 -0.979 33.7-137.6-156.3 158.8 -63.7 33.7 0.1 15 15 A G S > S+ 0 0 59 -2,-0.3 3,-0.6 69,-0.1 69,-0.1 0.473 81.6 88.2 -97.4 2.6 -64.3 36.0 -2.8 16 16 A S T 3 + 0 0 73 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.324 62.5 78.0 -93.5 7.5 -63.0 39.2 -1.1 17 17 A G T 3 S+ 0 0 6 -3,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.419 75.6 74.2 -97.4 3.1 -59.2 39.4 -1.8 18 18 A Y S < S+ 0 0 45 -3,-0.6 10,-0.7 1,-0.2 2,-0.3 0.755 104.8 22.8 -89.8 -30.8 -59.1 40.6 -5.5 19 19 A S S S+ 0 0 96 -3,-0.2 -1,-0.2 8,-0.1 0, 0.0 -0.997 126.3 13.1-137.4 137.4 -60.1 44.3 -4.9 20 20 A G S S+ 0 0 61 -2,-0.3 -2,-0.1 1,-0.2 -3,-0.1 0.609 77.3 162.7 78.4 10.3 -59.7 46.4 -1.7 21 21 A G > - 0 0 2 -4,-0.2 3,-1.8 1,-0.1 5,-0.2 -0.254 52.0-109.9 -61.7 155.5 -57.4 43.9 0.2 22 22 A A T 3 S+ 0 0 39 1,-0.3 49,-0.2 50,-0.1 -1,-0.1 0.735 113.7 61.5 -60.6 -24.5 -55.5 45.3 3.2 23 23 A F T 3 S- 0 0 1 47,-1.2 -1,-0.3 135,-0.1 48,-0.1 0.425 99.9-131.8 -90.4 3.6 -52.1 45.1 1.4 24 24 A L < + 0 0 50 -3,-1.8 -2,-0.1 46,-0.2 47,-0.1 0.871 55.9 144.8 52.8 47.0 -53.1 47.5 -1.4 25 25 A L + 0 0 4 45,-0.3 -1,-0.1 -4,-0.1 -3,-0.1 0.289 33.8 174.2 -99.8 9.0 -51.9 45.3 -4.2 26 26 A D + 0 0 54 -5,-0.2 2,-0.1 44,-0.1 -7,-0.1 -0.306 47.1 58.5 -65.7 150.1 -54.6 46.1 -6.8 27 27 A P + 0 0 117 0, 0.0 -8,-0.1 0, 0.0 -9,-0.0 0.435 67.6 178.1 -77.8 142.5 -55.1 45.5 -9.6 28 28 A I - 0 0 17 -10,-0.7 -2,-0.1 -2,-0.1 6,-0.0 -0.969 36.1-112.4-108.4 122.6 -55.2 41.7 -9.1 29 29 A P > - 0 0 73 0, 0.0 3,-2.1 0, 0.0 -3,-0.0 -0.260 24.7-126.4 -53.3 137.6 -56.0 39.7 -12.2 30 30 A S T 3 S+ 0 0 107 1,-0.3 -12,-0.0 3,-0.0 -2,-0.0 0.703 107.4 49.5 -66.2 -18.2 -59.4 38.0 -11.7 31 31 A D T 3 S+ 0 0 125 2,-0.1 -1,-0.3 55,-0.0 2,-0.1 0.337 83.2 117.4-103.9 8.7 -58.0 34.6 -12.4 32 32 A M < - 0 0 45 -3,-2.1 2,-0.6 1,-0.1 54,-0.2 -0.456 69.0-122.4 -69.7 145.3 -55.0 34.8 -10.1 33 33 A E + 0 0 38 33,-0.2 35,-2.4 -2,-0.1 2,-0.2 -0.833 47.8 164.2 -87.8 124.2 -54.8 32.3 -7.2 34 34 A I E -c 68 0A 4 -2,-0.6 50,-2.2 33,-0.3 2,-0.3 -0.770 21.9-158.7-136.5 170.1 -54.7 34.4 -4.0 35 35 A T E -cD 69 83A 2 33,-2.1 35,-2.2 -2,-0.2 36,-1.1 -0.990 17.8-133.8-149.6 155.9 -55.1 34.2 -0.2 36 36 A A E -cD 71 82A 7 46,-2.0 46,-2.3 -2,-0.3 2,-0.4 -0.832 32.5-146.8 -97.4 146.9 -55.8 36.2 2.9 37 37 A I E -cD 72 81A 0 34,-2.1 36,-2.5 -2,-0.3 44,-0.2 -0.940 16.0-107.0-125.3 139.7 -53.4 35.3 5.8 38 38 A N > - 0 0 0 42,-1.6 4,-2.0 -2,-0.4 5,-0.1 -0.217 35.2-114.4 -58.0 151.1 -54.0 35.3 9.5 39 39 A P H > S+ 0 0 45 0, 0.0 4,-1.6 0, 0.0 10,-0.2 0.820 108.3 54.8 -64.6 -33.4 -52.3 38.1 11.4 40 40 A A H 4 S+ 0 0 38 36,-0.4 3,-0.1 1,-0.2 38,-0.1 0.946 114.3 39.2 -67.8 -47.9 -49.7 36.1 13.5 41 41 A D H >4 S+ 0 0 8 1,-0.2 3,-0.8 39,-0.1 -1,-0.2 0.837 111.3 61.1 -67.9 -34.2 -48.2 34.4 10.4 42 42 A L H 3< S+ 0 0 5 -4,-2.0 9,-2.2 1,-0.2 2,-0.7 0.894 98.8 57.5 -56.1 -42.1 -48.4 37.7 8.5 43 43 A N T >< S+ 0 0 53 -4,-1.6 3,-1.3 6,-0.2 -1,-0.2 -0.193 77.6 172.2 -92.5 43.9 -46.2 39.5 10.9 44 44 A Y G X + 0 0 74 -3,-0.8 3,-1.6 -2,-0.7 6,-0.1 -0.192 65.7 9.7 -52.8 137.1 -43.1 37.2 10.7 45 45 A G G 3 S- 0 0 64 1,-0.3 -1,-0.2 5,-0.0 3,-0.1 0.684 128.1 -69.6 69.6 19.5 -39.9 38.4 12.4 46 46 A G G < S+ 0 0 75 -3,-1.3 2,-0.5 1,-0.3 -1,-0.3 0.632 102.7 129.7 68.5 15.3 -41.8 41.2 14.2 47 47 A V X - 0 0 33 -3,-1.6 3,-1.6 -4,-0.2 -1,-0.3 -0.897 62.1-123.1 -99.4 125.1 -42.2 43.1 10.9 48 48 A K T 3 S+ 0 0 65 -2,-0.5 -5,-0.1 106,-0.5 4,-0.0 -0.468 95.4 4.7 -66.0 135.4 -45.8 44.2 10.1 49 49 A A T > S+ 0 0 0 -10,-0.2 3,-1.4 -2,-0.2 -1,-0.3 0.786 81.6 153.6 58.7 28.9 -47.0 42.7 6.8 50 50 A A T < S+ 0 0 0 -3,-1.6 88,-0.3 -8,-0.4 -7,-0.2 0.894 75.8 40.9 -48.4 -45.1 -43.8 40.8 6.5 51 51 A L T > S+ 0 0 4 -9,-2.2 3,-1.9 -4,-0.2 -1,-0.2 0.342 82.3 125.7 -94.6 8.0 -45.7 38.2 4.3 52 52 A A T < S+ 0 0 0 -3,-1.4 86,-0.4 -10,-0.3 18,-0.2 -0.499 84.2 11.9 -67.0 129.7 -47.7 40.7 2.3 53 53 A G T 3 S+ 0 0 2 16,-2.4 81,-0.3 1,-0.3 -1,-0.3 0.600 100.3 130.5 73.1 11.5 -47.2 39.9 -1.4 54 54 A S < - 0 0 2 -3,-1.9 15,-2.8 15,-0.1 2,-0.4 -0.396 55.7-127.3 -77.0 165.1 -45.4 36.7 -0.6 55 55 A Y E -EF 68 106A 24 51,-0.7 51,-2.6 13,-0.2 2,-0.4 -0.968 20.9-160.8-115.6 144.4 -46.4 33.4 -2.3 56 56 A L E -EF 67 105A 0 11,-2.4 11,-2.5 -2,-0.4 2,-0.6 -0.962 15.7-140.1-122.9 136.6 -47.3 30.3 -0.4 57 57 A E E -EF 66 104A 57 47,-2.6 47,-1.5 -2,-0.4 2,-0.5 -0.893 28.4-165.0 -93.3 123.1 -47.4 26.7 -1.6 58 58 A V E -EF 65 103A 0 7,-3.3 7,-2.1 -2,-0.6 2,-0.5 -0.941 9.0-161.9-119.5 123.2 -50.5 25.2 0.0 59 59 A E E +EF 64 102A 89 43,-3.6 43,-1.8 -2,-0.5 5,-0.2 -0.919 16.8 167.4-106.3 127.0 -51.2 21.5 0.3 60 60 A G E > -E 63 0A 8 3,-3.1 3,-0.8 -2,-0.5 32,-0.2 -0.558 56.0 -74.2-120.3-171.2 -54.7 20.2 1.0 61 61 A P T 3 S+ 0 0 99 0, 0.0 31,-0.2 0, 0.0 3,-0.1 0.778 129.6 39.8 -58.9 -27.9 -56.3 16.8 0.8 62 62 A K T 3 S- 0 0 131 29,-3.3 2,-0.3 1,-0.2 30,-0.2 0.496 123.7 -66.8-102.4 -7.6 -56.4 16.8 -3.1 63 63 A G E < - E 0 60A 28 -3,-0.8 -3,-3.1 28,-0.7 2,-0.3 -0.983 55.7 -65.7 152.5-164.8 -53.1 18.4 -4.0 64 64 A K E + E 0 59A 119 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.905 36.3 170.0-125.1 152.7 -51.0 21.5 -3.8 65 65 A T E - E 0 58A 15 -7,-2.1 -7,-3.3 -2,-0.3 2,-0.4 -0.946 29.4-116.2-151.8 169.3 -51.1 25.0 -5.4 66 66 A T E - E 0 57A 46 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.946 28.6-169.1-116.3 130.6 -49.4 28.4 -5.0 67 67 A V E - E 0 56A 0 -11,-2.5 -11,-2.4 -2,-0.4 2,-0.4 -0.939 20.8-129.1-123.7 144.0 -51.2 31.5 -3.9 68 68 A Y E -cE 34 55A 24 -35,-2.4 -33,-2.1 -2,-0.4 2,-0.8 -0.757 28.5-126.7 -87.3 129.1 -50.3 35.2 -3.8 69 69 A V E +c 35 0A 0 -15,-2.8 -16,-2.4 -2,-0.4 -33,-0.2 -0.686 46.3 150.9 -83.9 109.0 -50.9 36.9 -0.4 70 70 A T E + 0 0 2 -35,-2.2 -47,-1.2 -2,-0.8 -45,-0.3 0.530 52.2 26.3-116.9 -11.4 -53.1 39.9 -0.9 71 71 A D E S-c 36 0A 22 -36,-1.1 -34,-2.1 -49,-0.2 2,-0.3 -0.974 71.8 -99.8-151.7 161.1 -55.1 40.5 2.2 72 72 A L E -c 37 0A 57 -2,-0.3 -34,-0.2 -36,-0.2 -50,-0.1 -0.689 24.0-142.8 -77.1 135.6 -55.4 40.1 5.9 73 73 A Y > - 0 0 36 -36,-2.5 3,-2.2 -2,-0.3 7,-0.1 -0.868 33.1-133.6 -92.3 94.1 -57.7 37.2 7.3 74 74 A P T 3 S- 0 0 85 0, 0.0 3,-0.1 0, 0.0 -36,-0.1 -0.262 80.3 -2.5 -63.4 135.4 -59.1 39.2 10.2 75 75 A E T 3 S+ 0 0 180 1,-0.2 -37,-0.1 0, 0.0 -3,-0.0 0.555 93.0 163.4 64.2 10.1 -59.1 37.3 13.5 76 76 A G < - 0 0 9 -3,-2.2 -36,-0.4 -39,-0.1 -1,-0.2 -0.285 37.9-119.5 -61.4 139.3 -57.7 34.3 11.7 77 77 A A > - 0 0 46 1,-0.2 3,-2.0 -3,-0.1 -39,-0.2 -0.333 45.0 -74.0 -70.0 162.3 -56.1 31.6 13.9 78 78 A R T 3 S+ 0 0 180 1,-0.2 -1,-0.2 -38,-0.1 3,-0.1 -0.347 122.9 18.1 -54.5 131.9 -52.4 30.7 13.6 79 79 A G T 3 S+ 0 0 3 1,-0.3 -1,-0.2 -70,-0.1 2,-0.1 0.199 96.7 132.3 92.9 -15.7 -51.9 28.6 10.4 80 80 A A < - 0 0 0 -3,-2.0 -42,-1.6 -71,-0.2 2,-0.3 -0.445 32.2-176.0 -86.7 141.3 -55.2 29.7 8.9 81 81 A L E -bD 11 37A 0 -71,-2.1 -69,-1.8 -44,-0.2 2,-0.6 -0.959 21.9-147.7-130.1 148.6 -55.7 30.9 5.3 82 82 A D E -bD 12 36A 24 -46,-2.3 -46,-2.0 -2,-0.3 -69,-0.3 -0.890 32.3-161.8-116.7 97.2 -58.7 32.2 3.4 83 83 A L E -bD 13 35A 0 -71,-2.7 -69,-2.3 -2,-0.6 -48,-0.2 -0.356 22.2-108.4 -81.9 154.2 -58.1 31.1 -0.2 84 84 A S >> - 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