==== 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 11-JAN-96 1MPN . 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) . 49395.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 909 72.0 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 . 678 53.7 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 . 9 0.7 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 . 6 0.5 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 . 114 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 5.5 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 . 12 0 12 3 3 9 3 3 9 3 3 15 6 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 3 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 V 0 0 53 0, 0.0 2,-0.4 0, 0.0 47,-0.2 0.000 360.0 360.0 360.0 142.7 -0.1 40.6 66.7 2 2 A D E -A 47 0A 69 45,-2.8 45,-1.0 2,-0.0 2,-0.4 -0.838 360.0-161.1 -97.8 144.6 3.6 40.7 67.6 3 3 A F E +A 46 0A 12 -2,-0.4 2,-0.3 43,-0.2 43,-0.2 -0.960 21.8 145.7-137.4 118.7 4.7 38.1 70.2 4 4 A H E +A 45 0A 83 41,-1.1 41,-3.2 -2,-0.4 2,-0.3 -0.929 7.6 124.9-142.3 167.2 7.9 38.3 72.2 5 5 A G E -A 44 0A 13 416,-0.5 416,-1.5 -2,-0.3 2,-0.3 -0.932 43.1-103.5 177.0-158.4 9.3 37.4 75.6 6 6 A Y E +AB 43 420A 31 37,-1.0 37,-2.2 -2,-0.3 2,-0.3 -0.906 34.4 168.3-153.8 149.3 11.8 35.6 77.8 7 7 A A E -AB 42 419A 0 412,-0.9 412,-2.7 -2,-0.3 2,-0.3 -0.936 13.5-174.2-166.9 146.5 11.3 32.4 79.7 8 8 A R E +AB 41 418A 21 33,-1.7 33,-1.2 -2,-0.3 2,-0.3 -0.947 16.4 161.1-143.2 142.2 13.4 29.8 81.6 9 9 A S E + B 0 417A 0 408,-1.6 408,-2.1 -2,-0.3 2,-0.3 -0.961 8.3 122.3-162.5 150.0 12.2 26.5 83.0 10 10 A G E - B 0 416A 3 -2,-0.3 2,-0.3 406,-0.2 406,-0.2 -0.936 42.4 -92.2-177.9-163.9 13.6 23.2 84.2 11 11 A I E + B 0 415A 7 404,-2.3 404,-2.0 -2,-0.3 2,-0.3 -0.991 35.4 168.5-147.2 137.8 14.2 20.3 86.6 12 12 A G E - B 0 414A 4 -2,-0.3 8,-0.9 402,-0.2 2,-0.3 -0.977 21.1-144.9-151.0 166.1 17.1 19.6 89.1 13 13 A W E -CB 19 413A 47 400,-2.6 400,-1.9 -2,-0.3 2,-0.5 -0.953 18.9-128.6-132.5 146.9 18.5 17.6 92.0 14 14 A T E > - B 0 412A 6 4,-2.6 3,-0.6 -2,-0.3 398,-0.3 -0.845 19.8-132.3 -96.9 132.4 20.8 18.5 95.0 15 15 A G T 3 S+ 0 0 30 396,-3.6 -1,-0.1 -2,-0.5 3,-0.1 0.894 106.9 42.1 -42.9 -54.2 23.8 16.2 95.5 16 16 A S T 3 S- 0 0 45 395,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.720 129.7 -51.5 -65.6 -36.2 23.1 15.8 99.2 17 17 A G S < S+ 0 0 10 -3,-0.6 1027,-0.5 1,-0.3 -1,-0.2 -0.644 86.4 10.7 160.9 148.4 19.3 15.4 98.9 18 18 A G S S- 0 0 3 1024,-0.4 -4,-2.6 1025,-0.2 -1,-0.3 0.007 93.3 -6.0 69.3-170.3 16.0 16.6 97.5 19 19 A E B S-C 13 0A 59 1022,-0.3 -6,-0.2 -6,-0.2 -2,-0.1 -0.008 89.3 -82.1 -50.3 161.5 15.1 19.3 95.0 20 20 A Q - 0 0 22 -8,-0.9 2,-0.3 -7,-0.1 -6,-0.1 -0.394 41.3-146.5 -76.6 151.8 18.0 21.5 93.7 21 21 A Q - 0 0 59 -8,-0.1 2,-0.3 -3,-0.1 16,-0.1 -0.827 3.4-137.5-117.0 157.4 19.4 24.5 95.4 22 22 A a - 0 0 41 -2,-0.3 2,-0.6 14,-0.1 14,-0.1 -0.754 14.8-135.9-112.3 151.8 20.9 27.7 94.3 23 23 A F + 0 0 4 -2,-0.3 9,-0.4 9,-0.1 2,-0.4 -0.888 27.3 160.1-120.3 118.1 24.0 29.5 95.6 24 24 A Q - 0 0 83 -2,-0.6 2,-0.3 7,-0.1 7,-0.1 -0.982 39.1-116.7-133.3 130.1 24.5 33.2 96.4 25 25 A T > - 0 0 1 5,-0.4 3,-2.4 -2,-0.4 2,-0.3 -0.465 36.9-111.2 -66.6 127.5 27.0 35.0 98.6 26 26 A T T 3 S+ 0 0 35 -2,-0.3 305,-0.1 1,-0.3 314,-0.1 -0.330 106.5 20.8 -59.3 112.0 25.5 36.8 101.6 27 27 A G T 3 S+ 0 0 22 1,-0.6 -1,-0.3 -2,-0.3 2,-0.2 0.043 99.0 107.1 116.6 -28.3 25.9 40.5 100.9 28 28 A A < - 0 0 9 -3,-2.4 -1,-0.6 2,-0.1 303,-0.0 -0.493 65.3-140.5 -80.0 153.0 26.4 40.2 97.1 29 29 A Q S S+ 0 0 79 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.069 76.9 32.6-102.6 26.1 23.6 41.4 94.9 30 30 A S - 0 0 7 -5,-0.2 -5,-0.4 87,-0.1 2,-0.3 -0.989 60.3-142.6-167.7 165.9 23.9 38.5 92.3 31 31 A K - 0 0 33 84,-0.5 2,-1.2 -2,-0.3 -7,-0.1 -0.899 40.9 -93.5-133.9 160.0 24.8 34.9 91.6 32 32 A Y - 0 0 4 -9,-0.4 83,-0.2 -2,-0.3 -9,-0.1 -0.729 42.2-146.0 -84.5 99.3 26.6 33.2 88.7 33 33 A R > + 0 0 8 81,-1.8 3,-1.6 -2,-1.2 -1,-0.1 0.648 60.3 101.3 -25.7 -56.4 23.7 32.2 86.6 34 34 A L T 3 S- 0 0 2 1,-0.3 291,-0.1 80,-0.3 -2,-0.1 -0.257 107.6 -14.8 -55.9 122.9 24.6 28.9 84.8 35 35 A G T 3 S+ 0 0 2 -2,-0.1 -1,-0.3 1,-0.1 377,-0.1 0.907 119.6 95.0 52.9 41.3 23.0 25.9 86.4 36 36 A N < + 0 0 0 -3,-1.6 2,-0.4 -14,-0.1 -2,-0.1 -0.120 52.1 105.4-151.9 34.6 22.3 28.1 89.4 37 37 A E - 0 0 5 -15,-0.1 -2,-0.0 -16,-0.1 -16,-0.0 -0.998 41.3-174.6-124.2 131.1 18.7 29.3 88.7 38 38 A a + 0 0 40 -2,-0.4 2,-0.3 2,-0.0 -16,-0.1 -0.077 52.8 66.6-118.0 35.1 15.8 27.8 90.7 39 39 A E S S- 0 0 51 2,-0.0 2,-0.6 31,-0.0 30,-0.2 -0.895 71.2-119.9-143.8 169.7 12.4 29.2 89.2 40 40 A T E + D 0 68A 0 28,-2.5 28,-2.3 -2,-0.3 2,-0.4 -0.985 43.2 177.9-110.1 112.0 10.2 29.2 86.1 41 41 A Y E +AD 8 67A 33 -33,-1.2 -33,-1.7 -2,-0.6 2,-0.3 -0.967 2.9 170.5-117.5 145.3 10.2 32.8 85.1 42 42 A A E -AD 7 66A 1 24,-2.4 24,-2.5 -2,-0.4 2,-0.5 -0.935 22.5-163.2-160.5 130.4 8.4 34.1 82.0 43 43 A E E -AD 6 65A 20 -37,-2.2 -37,-1.0 -2,-0.3 2,-0.6 -0.948 13.6-161.1-112.5 124.5 7.4 37.4 80.3 44 44 A L E -AD 5 64A 26 20,-1.9 20,-0.7 -2,-0.5 2,-0.3 -0.882 9.3-170.8-112.8 106.9 4.7 37.3 77.6 45 45 A K E +AD 4 63A 29 -41,-3.2 -41,-1.1 -2,-0.6 2,-0.3 -0.652 12.8 178.9 -95.6 143.5 4.6 40.3 75.3 46 46 A L E +A 3 0A 17 16,-0.7 -43,-0.2 -2,-0.3 2,-0.2 -0.835 21.5 158.9-142.5 98.5 1.9 41.0 72.7 47 47 A G E -A 2 0A 2 -45,-1.0 -45,-2.8 -2,-0.3 2,-0.3 -0.575 15.5-171.9-115.3-177.0 2.4 44.3 70.8 48 48 A Q E -E 60 0A 51 12,-2.9 12,-2.9 -47,-0.2 2,-1.0 -0.870 31.0-119.0-179.0 139.0 1.4 45.9 67.5 49 49 A E E -E 59 0A 93 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.722 32.8-176.4 -82.3 105.2 1.9 48.8 65.2 50 50 A V E + 0 0 44 8,-1.5 2,-0.3 -2,-1.0 -1,-0.2 0.650 59.0 13.3 -85.8 -11.4 -1.5 50.4 65.2 51 51 A W E +E 58 0A 45 7,-1.0 7,-2.0 725,-0.0 2,-0.4 -0.904 56.9 177.5-164.6 132.8 -1.1 53.2 62.6 52 52 A K E +E 57 0A 114 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.999 7.7 171.3-139.5 136.3 1.4 54.3 60.0 53 53 A E E > -E 56 0A 128 3,-3.5 3,-1.3 -2,-0.4 2,-0.8 -0.651 69.7 -60.4-146.0 86.6 1.4 57.1 57.5 54 54 A G T 3 S- 0 0 60 1,-0.3 -1,-0.0 -2,-0.2 0, 0.0 -0.684 124.4 -7.8 80.6-116.0 4.7 57.5 55.7 55 55 A D T 3 S+ 0 0 124 -2,-0.8 -1,-0.3 35,-0.1 2,-0.2 0.770 119.8 91.9 -84.5 -28.2 7.3 58.1 58.4 56 56 A K E < +E 53 0A 71 -3,-1.3 -3,-3.5 34,-0.1 2,-0.3 -0.474 50.1 158.6 -75.1 131.6 4.7 58.5 61.1 57 57 A S E -EF 52 89A 6 32,-1.1 32,-1.9 -5,-0.3 2,-0.4 -0.979 30.6-147.5-152.3 152.6 3.7 55.5 63.2 58 58 A F E -EF 51 88A 1 -7,-2.0 -8,-1.5 -2,-0.3 -7,-1.0 -0.996 19.3-163.1-122.5 118.5 2.1 54.6 66.5 59 59 A Y E -EF 49 87A 36 28,-2.9 28,-2.1 -2,-0.4 2,-0.5 -0.893 5.1-156.8-109.1 137.4 3.2 51.4 68.3 60 60 A F E +EF 48 86A 1 -12,-2.9 -12,-2.9 -2,-0.4 2,-0.3 -0.942 16.7 177.5-114.4 125.6 1.4 49.6 71.2 61 61 A D E + F 0 85A 24 24,-2.0 24,-1.8 -2,-0.5 2,-0.3 -0.942 5.8 176.9-128.7 147.1 3.4 47.3 73.5 62 62 A T E - F 0 84A 4 -2,-0.3 -16,-0.7 22,-0.2 2,-0.3 -0.980 8.7-163.3-144.0 156.3 2.4 45.3 76.7 63 63 A N E -DF 45 83A 0 20,-2.2 20,-1.2 -2,-0.3 19,-0.7 -0.990 3.5-173.5-145.9 132.3 4.2 42.8 79.1 64 64 A V E -DF 44 81A 10 -20,-0.7 -20,-1.9 -2,-0.3 2,-0.3 -0.945 16.3-154.0-129.7 112.6 2.8 40.3 81.6 65 65 A A E -DF 43 80A 0 15,-2.0 15,-2.1 -2,-0.4 2,-0.4 -0.654 10.5-173.3 -94.8 141.4 5.2 38.4 84.0 66 66 A Y E -D 42 0A 10 -24,-2.5 -24,-2.4 -2,-0.3 2,-0.4 -0.983 4.0-179.9-129.8 139.2 4.8 35.0 85.7 67 67 A S E +D 41 0A 53 -2,-0.4 2,-0.3 -26,-0.2 -26,-0.2 -0.970 12.2 165.2-142.6 114.0 7.2 33.4 88.2 68 68 A V E -D 40 0A 13 -28,-2.3 -28,-2.5 -2,-0.4 9,-0.1 -0.878 41.4-119.5-128.6 166.0 6.4 30.0 89.7 69 69 A A - 0 0 61 -2,-0.3 -28,-0.1 -30,-0.2 -1,-0.0 0.429 33.6-136.8 -88.1 -1.0 8.4 27.4 91.7 70 70 A Q + 0 0 18 1,-0.1 3,-0.1 2,-0.1 877,-0.0 0.847 69.3 117.4 47.0 49.9 8.2 24.5 89.3 71 71 A Q S S+ 0 0 18 1,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.357 78.9 20.3-117.5 -1.9 7.6 21.9 91.9 72 72 A N S S- 0 0 48 1,-0.2 -1,-0.2 918,-0.2 3,-0.2 -0.969 70.6-116.8-156.9 171.2 4.3 21.1 90.4 73 73 A D S S+ 0 0 23 -2,-0.3 2,-1.0 894,-0.3 -1,-0.2 0.954 102.2 47.1 -75.5 -82.5 2.0 21.2 87.4 74 74 A W S S+ 0 0 115 850,-0.1 2,-0.5 1,-0.1 -1,-0.2 -0.445 71.9 165.0 -65.8 101.0 -1.0 23.3 88.5 75 75 A E - 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