==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 24-MAR-97 1MPQ . COMPND 2 MOLECULE: MALTOPORIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.DUTZLER,T.SCHIRMER . 1263 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47620.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 948 75.1 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 . 690 54.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 1.2 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 . 144 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 6 3 12 0 6 6 6 3 6 3 6 12 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 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 V 0 0 50 0, 0.0 2,-0.5 0, 0.0 47,-0.2 0.000 360.0 360.0 360.0 144.1 -0.4 40.2 66.1 2 2 A D E -A 47 0A 68 45,-3.2 45,-2.2 2,-0.0 2,-0.6 -0.909 360.0-159.5 -99.5 129.2 3.3 40.3 67.0 3 3 A F E +A 46 0A 9 -2,-0.5 2,-0.3 43,-0.2 43,-0.2 -0.925 24.7 147.5-116.1 112.0 4.3 37.6 69.5 4 4 A H E +A 45 0A 72 41,-1.7 41,-3.4 -2,-0.6 2,-0.3 -0.855 7.7 112.3-132.8 174.3 7.4 38.0 71.6 5 5 A G E -A 44 0A 11 416,-1.1 416,-1.8 -2,-0.3 2,-0.3 -0.988 46.1 -91.9 167.1-157.1 8.8 37.3 74.9 6 6 A Y E +AB 43 420A 30 37,-1.5 37,-2.6 -2,-0.3 2,-0.3 -0.968 34.3 165.6-153.7 150.1 11.2 35.4 77.2 7 7 A A E -AB 42 419A 0 412,-1.9 412,-2.5 -2,-0.3 2,-0.3 -0.970 13.8-175.6-166.2 153.8 10.9 32.2 79.1 8 8 A R E +AB 41 418A 18 33,-1.4 33,-1.7 -2,-0.3 2,-0.3 -0.911 16.3 159.6-152.5 139.0 13.0 29.7 80.9 9 9 A S E + B 0 417A 0 408,-1.8 408,-2.6 -2,-0.3 2,-0.3 -0.951 8.8 135.0-158.3 153.0 11.8 26.4 82.4 10 10 A G E - B 0 416A 3 -2,-0.3 2,-0.3 406,-0.2 406,-0.2 -0.976 41.8-102.5-177.4-173.6 13.3 23.2 83.4 11 11 A I E + B 0 415A 4 404,-2.2 404,-2.0 -2,-0.3 2,-0.3 -0.934 39.2 165.6-132.3 147.8 13.8 20.3 85.9 12 12 A G E - B 0 414A 3 -2,-0.3 8,-0.9 402,-0.2 2,-0.3 -0.990 22.4-143.3-158.8 173.4 16.7 19.8 88.3 13 13 A W E -CB 19 413A 42 400,-2.7 400,-1.8 -2,-0.3 2,-0.5 -0.994 16.3-130.2-146.1 144.7 18.1 18.0 91.3 14 14 A T E > - B 0 412A 5 4,-3.0 3,-1.4 -2,-0.3 398,-0.3 -0.833 21.9-133.4 -97.2 133.5 20.4 18.8 94.3 15 15 A G T 3 S+ 0 0 29 396,-4.0 -1,-0.1 -2,-0.5 3,-0.1 0.895 105.9 49.7 -48.3 -53.6 23.2 16.4 94.8 16 16 A S T 3 S- 0 0 43 395,-0.3 -1,-0.3 1,-0.2 1029,-0.2 0.656 129.8 -67.6 -59.1 -25.9 22.6 16.1 98.6 17 17 A G S < S+ 0 0 10 -3,-1.4 1027,-0.5 1,-0.3 -1,-0.2 -0.437 86.8 32.0 141.7 148.2 18.9 15.4 97.9 18 18 A G S S- 0 0 2 1024,-0.4 -4,-3.0 1025,-0.2 -1,-0.3 -0.048 90.9 -11.8 76.4-178.3 15.7 16.9 96.7 19 19 A E B S-C 13 0A 52 1022,-0.3 -6,-0.3 -6,-0.2 -2,-0.1 -0.077 87.1 -78.6 -49.1 157.3 14.8 19.4 94.1 20 20 A Q - 0 0 19 -8,-0.9 2,-0.3 -7,-0.1 -1,-0.1 -0.288 47.1-153.7 -65.9 145.0 17.4 21.6 92.6 21 21 A Q - 0 0 59 -8,-0.1 2,-0.4 -3,-0.1 -8,-0.1 -0.822 5.0-134.1-117.3 159.1 18.7 24.5 94.6 22 22 A a - 0 0 42 -2,-0.3 2,-0.7 16,-0.1 14,-0.1 -0.863 10.7-138.1-119.4 146.9 20.2 27.8 93.6 23 23 A F + 0 0 3 -2,-0.4 2,-0.4 9,-0.2 9,-0.3 -0.822 27.4 159.1-115.0 110.6 23.3 29.6 94.9 24 24 A Q - 0 0 81 -2,-0.7 2,-0.2 7,-0.1 7,-0.1 -0.965 40.3-116.9-122.9 132.0 23.5 33.3 95.6 25 25 A T > - 0 0 2 5,-0.4 3,-2.5 -2,-0.4 5,-0.2 -0.470 35.7-108.2 -67.2 133.6 26.1 35.0 97.9 26 26 A T T 3 S+ 0 0 31 1,-0.3 314,-0.2 -2,-0.2 305,-0.1 -0.376 109.2 20.6 -60.3 121.7 24.5 36.9 100.9 27 27 A G T 3 S+ 0 0 19 1,-0.4 -1,-0.3 -2,-0.1 2,-0.2 0.149 98.2 112.6 102.5 -22.0 24.9 40.6 100.1 28 28 A A < - 0 0 8 -3,-2.5 -1,-0.4 1,-0.1 303,-0.1 -0.597 61.4-146.6 -82.2 147.1 25.4 40.1 96.3 29 29 A Q S S+ 0 0 70 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.223 77.0 32.1 -96.2 16.7 22.6 41.4 94.2 30 30 A S - 0 0 7 -5,-0.2 -5,-0.4 87,-0.1 2,-0.3 -0.954 60.6-144.4-159.3 170.5 23.0 38.6 91.6 31 31 A K - 0 0 32 84,-0.8 2,-0.8 -2,-0.3 -7,-0.1 -0.940 38.5-103.4-138.7 152.0 23.9 35.0 90.9 32 32 A Y - 0 0 3 -9,-0.3 83,-0.2 -2,-0.3 -9,-0.2 -0.784 40.3-153.2 -77.6 115.3 25.7 33.5 87.9 33 33 A R > + 0 0 8 81,-3.2 3,-2.9 -2,-0.8 -1,-0.1 0.794 56.1 108.8 -64.9 -35.3 22.7 32.0 86.1 34 34 A L T 3 S- 0 0 2 80,-0.3 291,-0.1 1,-0.3 -2,-0.1 -0.223 107.0 -9.5 -53.4 115.3 24.0 29.1 84.0 35 35 A G T 3 S+ 0 0 2 1,-0.1 -1,-0.3 311,-0.1 377,-0.1 0.736 123.0 88.8 68.1 30.4 22.7 26.0 85.8 36 36 A N < + 0 0 0 -3,-2.9 2,-0.5 -14,-0.1 -2,-0.1 -0.170 51.5 109.4-151.9 39.9 21.6 28.1 88.7 37 37 A E - 0 0 5 -16,-0.1 -17,-0.1 -15,-0.1 -2,-0.0 -0.996 40.8-170.9-124.0 125.8 18.0 29.3 88.0 38 38 A a + 0 0 38 -2,-0.5 2,-0.3 2,-0.0 -16,-0.1 -0.097 54.3 55.1-113.1 35.7 15.2 27.8 90.1 39 39 A E S S- 0 0 42 2,-0.0 2,-0.6 32,-0.0 30,-0.2 -0.970 74.8-111.2-155.1 163.8 11.8 28.9 88.5 40 40 A T E + D 0 68A 0 28,-2.5 28,-2.4 -2,-0.3 2,-0.4 -0.902 44.0 178.7 -96.4 125.4 9.8 28.9 85.3 41 41 A Y E +AD 8 67A 26 -33,-1.7 -33,-1.4 -2,-0.6 2,-0.3 -0.998 3.0 169.7-129.5 139.1 9.7 32.6 84.4 42 42 A A E -AD 7 66A 0 24,-2.3 24,-2.8 -2,-0.4 2,-0.5 -0.983 23.0-162.0-155.3 138.3 8.0 33.9 81.2 43 43 A E E -AD 6 65A 22 -37,-2.6 -37,-1.5 -2,-0.3 2,-0.6 -0.979 14.1-159.5-116.8 126.3 6.9 37.2 79.7 44 44 A L E -AD 5 64A 20 20,-2.2 20,-1.0 -2,-0.5 2,-0.3 -0.908 9.7-170.2-112.0 106.8 4.3 36.9 76.9 45 45 A K E +A 4 0A 30 -41,-3.4 -41,-1.7 -2,-0.6 2,-0.4 -0.738 11.3 177.3 -97.4 135.4 4.3 40.0 74.7 46 46 A L E +A 3 0A 15 16,-0.4 16,-0.5 -2,-0.3 2,-0.2 -0.965 21.0 154.7-134.5 112.3 1.5 40.5 72.1 47 47 A G E -A 2 0A 1 -45,-2.2 -45,-3.2 -2,-0.4 14,-0.3 -0.789 19.6-165.8-130.9-175.2 1.9 43.8 70.2 48 48 A Q E -E 60 0A 49 12,-2.9 12,-2.5 -2,-0.2 2,-0.9 -0.845 30.6-119.2-177.6 134.4 0.9 45.3 66.9 49 49 A E E -E 59 0A 87 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.682 36.1-176.7 -75.7 109.1 1.6 48.2 64.6 50 50 A V E + 0 0 43 8,-2.2 2,-0.3 -2,-0.9 -1,-0.2 0.583 58.9 16.4 -92.1 -5.4 -1.8 49.6 64.6 51 51 A W E +E 58 0A 38 7,-1.1 7,-1.6 -3,-0.0 2,-0.4 -0.846 57.9 174.0-166.7 127.0 -1.5 52.5 62.1 52 52 A K E +E 57 0A 111 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.988 6.9 170.2-135.4 140.6 1.0 53.4 59.5 53 53 A E E > S-E 56 0A 125 3,-2.9 3,-1.8 -2,-0.4 2,-0.6 -0.733 70.6 -59.3-148.0 89.9 1.0 56.2 56.9 54 54 A G T 3 S- 0 0 61 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 -0.567 125.5 -5.8 77.7-121.7 4.2 56.6 55.2 55 55 A D T 3 S+ 0 0 121 -2,-0.6 -1,-0.3 -3,-0.1 2,-0.3 0.711 120.3 90.0 -80.1 -25.9 6.9 57.3 57.8 56 56 A K E < +E 53 0A 61 -3,-1.8 -3,-2.9 34,-0.1 2,-0.3 -0.540 48.4 154.1 -81.3 137.6 4.3 57.5 60.6 57 57 A S E -EF 52 89A 3 32,-1.3 32,-1.0 -2,-0.3 2,-0.4 -0.960 32.8-143.8-152.4 164.7 3.1 54.6 62.7 58 58 A F E -EF 51 88A 0 -7,-1.6 -8,-2.2 -2,-0.3 -7,-1.1 -0.992 20.0-163.5-132.7 119.5 1.6 53.9 66.1 59 59 A Y E -EF 49 87A 33 28,-2.7 28,-2.7 -2,-0.4 2,-0.5 -0.938 3.7-158.7-107.4 134.2 2.8 50.6 67.7 60 60 A F E +EF 48 86A 0 -12,-2.5 -12,-2.9 -2,-0.4 2,-0.3 -0.956 17.5 176.4-110.9 131.6 0.9 49.0 70.7 61 61 A D E - F 0 85A 18 24,-1.7 24,-1.8 -2,-0.5 2,-0.3 -0.975 5.5-178.7-138.0 144.7 2.9 46.6 72.9 62 62 A T E - F 0 84A 1 -16,-0.5 -16,-0.4 -2,-0.3 2,-0.3 -0.893 9.6-157.7-138.5 168.6 2.0 44.6 76.1 63 63 A N E - F 0 83A 0 20,-1.9 20,-1.2 -2,-0.3 19,-1.2 -0.941 6.7-175.9-153.3 126.6 3.7 42.3 78.5 64 64 A V E -DF 44 81A 8 -20,-1.0 -20,-2.2 -2,-0.3 2,-0.3 -0.969 17.4-159.7-126.5 112.8 2.3 39.7 81.0 65 65 A A E -DF 43 80A 0 15,-1.7 15,-2.2 -2,-0.5 2,-0.4 -0.760 6.7-169.2 -98.3 141.5 4.9 38.0 83.2 66 66 A Y E -D 42 0A 8 -24,-2.8 -24,-2.3 -2,-0.3 2,-0.4 -0.994 4.6-175.2-128.4 134.5 4.5 34.7 85.0 67 67 A S E +D 41 0A 51 -2,-0.4 2,-0.3 -26,-0.2 -26,-0.2 -0.994 13.8 166.8-129.0 125.1 6.8 33.2 87.6 68 68 A V E -D 40 0A 11 -28,-2.4 -28,-2.5 -2,-0.4 9,-0.1 -0.972 42.5-120.4-137.6 161.4 6.1 29.7 89.0 69 69 A A - 0 0 55 -2,-0.3 -28,-0.1 -30,-0.2 -1,-0.0 0.568 34.7-140.5 -78.6 -10.9 8.0 27.2 91.1 70 70 A Q + 0 0 13 2,-0.2 3,-0.1 1,-0.1 -1,-0.1 0.896 68.8 117.2 49.2 48.7 8.0 24.5 88.5 71 71 A Q S S+ 0 0 17 1,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.318 78.7 20.1-116.8 -1.8 7.5 21.8 91.0 72 72 A N S S- 0 0 48 1,-0.2 -1,-0.2 918,-0.2 -2,-0.2 -0.988 71.0-116.2-158.6 170.4 4.1 20.9 89.6 73 73 A D S S+ 0 0 21 894,-0.3 2,-0.7 -2,-0.3 -1,-0.2 0.976 101.4 50.5 -74.2 -78.2 1.8 21.0 86.6 74 74 A W + 0 0 115 1,-0.1 2,-0.5 850,-0.0 -1,-0.2 -0.410 69.5 165.8 -63.7 102.6 -1.1 23.1 87.8 75 75 A E - 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