==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 02-APR-03 1OXC . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN LECB; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR R.LORIS,D.TIELKER,K.-E.JAEGER,L.WYNS . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15530.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 238 52.2 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 . 30 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 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 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 . 4 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 . 0 4 6 0 4 8 1 1 4 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 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 A 0 0 48 0, 0.0 428,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 156.1 15.2 25.5 -9.1 2 2 A T - 0 0 85 427,-0.2 2,-0.3 2,-0.0 3,-0.1 -0.382 360.0-173.0 -64.7 141.3 16.7 23.6 -6.2 3 3 A Q + 0 0 32 1,-0.1 3,-0.1 62,-0.1 73,-0.1 -0.939 54.8 37.2-135.7 157.3 18.4 25.8 -3.7 4 4 A G S S+ 0 0 0 -2,-0.3 61,-2.8 1,-0.2 2,-0.5 0.557 83.6 116.1 80.8 7.3 20.6 25.3 -0.6 5 5 A V E +A 64 0A 24 59,-0.2 2,-0.4 -3,-0.1 -1,-0.2 -0.943 38.6 176.3-113.4 129.8 22.3 22.2 -2.0 6 6 A F E -A 63 0A 4 57,-2.9 57,-2.8 -2,-0.5 2,-0.8 -0.990 27.2-140.5-135.5 140.5 26.1 22.2 -2.6 7 7 A T E -A 62 0A 80 -2,-0.4 55,-0.2 55,-0.2 54,-0.1 -0.875 29.3-179.6-101.5 107.2 28.6 19.7 -3.8 8 8 A L - 0 0 4 53,-3.1 3,-0.1 -2,-0.8 6,-0.0 -0.545 43.9 -79.1 -96.7 166.8 31.7 20.1 -1.8 9 9 A P > - 0 0 60 0, 0.0 3,-0.7 0, 0.0 48,-0.2 -0.409 66.0 -95.2 -62.3 149.5 34.9 18.1 -2.2 10 10 A A T 3 S+ 0 0 52 1,-0.2 49,-0.2 50,-0.1 3,-0.1 -0.272 98.7 8.3 -69.8 154.5 34.3 14.7 -0.4 11 11 A N T 3 S+ 0 0 118 47,-3.0 2,-0.4 1,-0.2 -1,-0.2 0.852 97.4 139.6 44.5 45.7 35.4 14.0 3.2 12 12 A T < - 0 0 41 -3,-0.7 45,-2.8 46,-0.2 2,-0.2 -0.937 53.7-120.0-122.9 140.5 36.4 17.6 3.6 13 13 A R E +B 56 0A 111 -2,-0.4 100,-0.3 43,-0.2 2,-0.3 -0.519 35.4 172.6 -77.8 143.1 35.9 20.0 6.5 14 14 A F E -B 55 0A 0 41,-2.5 41,-2.7 -2,-0.2 2,-0.4 -0.977 28.1-122.2-146.0 156.0 33.8 23.1 6.1 15 15 A G E -BC 54 110A 0 95,-2.8 95,-1.9 -2,-0.3 2,-0.4 -0.790 20.6-168.6-100.6 144.5 32.5 25.8 8.3 16 16 A V E +BC 53 109A 0 37,-2.3 37,-2.2 -2,-0.4 2,-0.4 -0.992 9.4 174.9-134.3 126.7 28.8 26.6 8.6 17 17 A T E -BC 52 108A 0 91,-2.3 91,-2.9 -2,-0.4 2,-0.4 -0.996 11.8-158.3-135.0 136.7 27.6 29.7 10.3 18 18 A A E -BC 51 107A 0 33,-2.7 32,-2.8 -2,-0.4 33,-0.9 -0.947 3.3-167.5-122.1 139.7 24.1 31.1 10.6 19 19 A F E -BC 49 106A 0 87,-2.7 87,-2.6 -2,-0.4 2,-0.4 -0.917 14.6-141.0-119.5 146.1 22.9 34.7 11.3 20 20 A A E +BC 48 105A 0 28,-2.0 27,-1.4 -2,-0.3 28,-0.5 -0.901 26.3 165.5-116.7 141.3 19.3 35.6 12.2 21 21 A N E + 0 0 0 83,-2.1 24,-0.3 -2,-0.4 2,-0.3 -0.536 50.3 82.7-147.0 70.5 17.2 38.7 11.1 22 22 A S E S-B 44 0A 6 22,-2.9 22,-0.6 82,-0.1 4,-0.1 -0.985 76.6-118.7-168.3 158.5 13.6 38.0 12.0 23 23 A S E S+ 0 0 111 -2,-0.3 2,-0.3 20,-0.1 22,-0.1 0.701 95.3 83.9 -75.8 -19.1 11.0 38.0 14.7 24 24 A G E S- 0 0 15 20,-0.1 2,-0.4 1,-0.1 20,-0.3 -0.604 90.5-111.1 -88.9 145.5 10.7 34.3 14.2 25 25 A T E - 0 0 58 -2,-0.3 45,-0.5 18,-0.1 2,-0.3 -0.614 37.3-138.6 -74.3 124.8 13.0 31.7 15.8 26 26 A Q E -B 42 0A 0 16,-2.7 16,-1.7 -2,-0.4 2,-0.5 -0.688 15.2-164.7 -91.2 136.3 15.1 30.2 13.0 27 27 A T E -BD 41 68A 34 41,-2.4 41,-2.3 -2,-0.3 2,-0.6 -0.977 9.0-168.8-120.3 114.0 15.9 26.5 12.8 28 28 A V E -BD 40 67A 0 12,-3.0 12,-2.7 -2,-0.5 2,-0.4 -0.924 1.0-167.4-109.1 116.3 18.8 25.8 10.4 29 29 A N E -BD 39 66A 39 37,-3.1 37,-2.5 -2,-0.6 2,-0.5 -0.863 3.8-162.8-104.0 135.0 19.4 22.1 9.5 30 30 A V E -BD 38 65A 0 8,-2.9 7,-3.3 -2,-0.4 8,-1.7 -0.976 7.9-163.5-119.3 117.6 22.5 21.1 7.8 31 31 A L E -BD 36 64A 24 33,-3.2 33,-2.5 -2,-0.5 2,-0.5 -0.862 3.9-168.1-104.3 135.7 22.4 17.7 6.1 32 32 A V E > S-BD 35 63A 16 3,-2.9 3,-1.1 -2,-0.4 31,-0.2 -0.991 76.7 -10.1-124.6 125.5 25.6 15.8 5.1 33 33 A N T 3 S- 0 0 66 29,-2.1 -1,-0.2 -2,-0.5 30,-0.1 0.895 132.1 -54.7 53.1 42.5 25.3 12.8 2.8 34 34 A N T 3 S+ 0 0 109 28,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.698 118.6 103.7 65.6 26.8 21.6 12.9 3.4 35 35 A E E < S-B 32 0A 55 -3,-1.1 -3,-2.9 -5,-0.0 2,-0.3 -0.998 81.3-103.9-136.4 137.7 21.7 12.8 7.2 36 36 A T E +B 31 0A 92 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.459 43.2 169.1 -62.5 121.7 21.1 15.7 9.6 37 37 A A E + 0 0 48 -7,-3.3 2,-0.3 1,-0.4 -6,-0.2 0.702 61.1 8.7-106.5 -30.0 24.6 16.6 10.8 38 38 A A E -B 30 0A 7 -8,-1.7 -8,-2.9 2,-0.0 2,-0.4 -0.994 54.3-165.7-152.8 150.7 23.9 19.9 12.6 39 39 A T E -B 29 0A 75 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.975 6.9-169.0-141.9 123.6 21.0 22.0 13.7 40 40 A F E -B 28 0A 14 -12,-2.7 -12,-3.0 -2,-0.4 2,-0.4 -0.881 5.7-177.2-111.2 146.0 21.2 25.6 14.8 41 41 A S E +B 27 0A 73 9,-0.6 2,-0.3 -2,-0.4 -14,-0.2 -0.995 21.0 118.9-143.9 135.5 18.3 27.5 16.5 42 42 A G E -B 26 0A 17 -16,-1.7 -16,-2.7 -2,-0.4 2,-0.4 -0.978 42.4-123.0-179.0 172.9 18.1 31.1 17.6 43 43 A Q E + 0 0 97 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.1 -1.000 34.8 141.0-139.8 136.3 16.4 34.4 17.3 44 44 A S E -B 22 0A 14 -22,-0.6 -22,-2.9 -2,-0.4 3,-0.1 -0.929 33.6-164.4-168.2 146.5 17.7 37.8 16.5 45 45 A T E S+ 0 0 73 -24,-0.3 -24,-0.2 -2,-0.3 -22,-0.1 0.113 91.8 63.7-117.2 14.3 16.6 40.9 14.5 46 46 A N E S- 0 0 74 -26,-0.3 -25,-0.2 183,-0.1 -1,-0.1 -0.047 116.2 -97.2-131.1 32.6 20.2 42.2 14.6 47 47 A N E + 0 0 3 -27,-1.4 -26,-0.2 1,-0.2 121,-0.1 0.674 61.7 168.3 65.1 22.1 22.2 39.6 12.6 48 48 A A E -B 20 0A 46 -28,-0.5 -28,-2.0 -29,-0.1 2,-0.3 -0.347 42.9-106.8 -66.9 146.1 23.4 37.7 15.7 49 49 A V E -B 19 0A 48 -30,-0.2 -30,-0.3 1,-0.1 3,-0.1 -0.570 32.7-175.7 -70.9 132.0 25.1 34.4 15.0 50 50 A I E - 0 0 26 -32,-2.8 -9,-0.6 1,-0.4 2,-0.2 0.382 67.8 -6.8-109.6 0.4 22.8 31.6 16.1 51 51 A G E -B 18 0A 15 -33,-0.9 -33,-2.7 -11,-0.2 -1,-0.4 -0.810 52.9-178.3 172.8 145.8 25.2 28.8 15.4 52 52 A T E +B 17 0A 62 -35,-0.2 2,-0.3 -2,-0.2 -35,-0.2 -0.940 19.4 155.9-155.4 134.4 28.6 28.1 13.9 53 53 A Q E -B 16 0A 85 -37,-2.2 -37,-2.3 -2,-0.3 2,-0.5 -0.989 39.1-118.5-158.3 160.1 30.3 24.7 13.6 54 54 A V E +B 15 0A 50 -2,-0.3 2,-0.2 -39,-0.2 -39,-0.2 -0.930 39.4 174.8-106.9 125.0 32.9 22.7 11.6 55 55 A L E -B 14 0A 18 -41,-2.7 -41,-2.5 -2,-0.5 2,-0.4 -0.764 30.6-117.7-124.9 170.8 31.5 19.7 9.8 56 56 A N E -B 13 0A 65 -2,-0.2 -43,-0.2 -43,-0.2 -45,-0.1 -0.937 19.5-135.7-111.8 132.8 32.8 17.1 7.4 57 57 A S > - 0 0 0 -45,-2.8 4,-0.8 -2,-0.4 -24,-0.4 0.533 41.8-139.6 -65.9 -9.2 31.2 16.9 3.9 58 58 A G T 4 - 0 0 16 1,-0.2 -47,-3.0 2,-0.2 -46,-0.2 -0.059 38.5 -47.6 78.9 179.7 30.9 13.1 3.9 59 59 A S T 4 S+ 0 0 95 1,-0.2 -1,-0.2 -49,-0.2 -49,-0.1 0.822 138.6 34.6 -61.0 -36.4 31.4 10.5 1.2 60 60 A S T 4 S- 0 0 59 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.687 98.3-130.2 -92.8 -21.0 29.5 12.3 -1.6 61 61 A G < + 0 0 0 -4,-0.8 -53,-3.1 1,-0.3 2,-0.5 0.426 56.9 148.2 84.1 -1.4 30.4 15.9 -0.6 62 62 A K E +A 7 0A 65 -55,-0.2 -29,-2.1 -57,-0.1 2,-0.4 -0.554 21.8 178.8 -73.2 120.3 26.7 16.7 -0.7 63 63 A V E -AD 6 32A 0 -57,-2.8 -57,-2.9 -2,-0.5 2,-0.4 -0.986 4.3-171.7-124.2 130.0 25.7 19.4 1.8 64 64 A Q E -AD 5 31A 38 -33,-2.5 -33,-3.2 -2,-0.4 2,-0.4 -0.981 9.2-156.7-128.0 136.4 22.2 20.7 2.1 65 65 A V E + D 0 30A 0 -61,-2.8 2,-0.4 -2,-0.4 -35,-0.2 -0.917 12.6 179.8-110.1 132.4 20.8 23.6 4.1 66 66 A Q E - 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0 0 17 -7,-0.1 -1,-0.1 128,-0.0 -6,-0.1 0.613 50.3-151.9 -89.2 -11.9 14.3 40.4 2.4 102 102 A Y + 0 0 13 1,-0.1 -8,-0.8 -9,-0.1 -7,-0.2 0.703 67.7 102.4 50.1 29.0 15.6 36.8 2.5 103 103 A N B +i 94 0A 0 -10,-0.2 3,-0.3 -82,-0.2 -82,-0.2 0.261 36.4 110.8-119.1 8.1 17.8 37.5 5.5 104 104 A D S S+ 0 0 5 -10,-1.4 -83,-2.1 1,-0.3 2,-0.4 0.875 100.8 8.1 -54.0 -39.3 15.7 35.9 8.1 105 105 A A E S-C 20 0A 0 -11,-0.6 2,-0.5 -85,-0.2 -11,-0.4 -0.961 79.5-168.7-140.8 118.4 18.3 33.2 8.4 106 106 A V E -C 19 0A 0 -87,-2.6 -87,-2.7 -2,-0.4 2,-0.5 -0.963 7.1-165.1-111.4 127.9 21.5 33.8 6.5 107 107 A V E -CH 18 92A 0 -15,-2.8 -15,-2.5 -2,-0.5 2,-0.5 -0.962 7.0-168.7-121.9 130.2 23.9 30.9 6.2 108 108 A V E -CH 17 91A 0 -91,-2.9 -91,-2.3 -2,-0.5 2,-0.5 -0.970 1.3-172.8-118.8 123.9 27.5 31.0 5.2 109 109 A I E -CH 16 90A 0 -19,-2.7 -19,-2.9 -2,-0.5 2,-0.4 -0.963 13.8-178.5-113.1 128.8 29.4 27.8 4.4 110 110 A N E -CH 15 89A 3 -95,-1.9 -95,-2.8 -2,-0.5 -21,-0.2 -0.984 6.5-143.2-134.7 144.7 33.1 28.3 3.8 111 111 A W E + H 0 88A 14 -23,-1.7 -23,-2.7 -2,-0.4 2,-0.1 -0.964 60.9 40.2-159.9 156.6 36.1 26.0 2.9 112 112 A P - 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