==== 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 MEMBRANE PROTEIN 13-NOV-09 3KOG . COMPND 2 MOLECULE: PUTATIVE PORE-FORMING TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES VULGATUS ATCC 8482; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 226 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 42.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 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 . 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 3 1 0 1 0 0 1 0 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 0 0 1 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 39 A T 0 0 151 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.9 13.4 8.7 34.5 2 40 A P - 0 0 67 0, 0.0 2,-0.6 0, 0.0 69,-0.0 -0.012 360.0-103.8 -63.2 155.7 14.1 12.5 34.6 3 41 A V - 0 0 61 159,-0.1 68,-1.5 1,-0.0 69,-0.2 -0.735 41.6-124.5 -80.0 122.8 17.5 13.9 34.7 4 42 A N - 0 0 53 -2,-0.6 38,-0.2 66,-0.2 65,-0.1 -0.411 18.9-115.3 -65.8 141.6 18.2 15.1 38.2 5 43 A A - 0 0 0 36,-3.2 34,-2.5 63,-0.2 2,-0.3 -0.365 35.6-158.0 -64.8 156.6 19.2 18.7 38.9 6 44 A K E -Ab 38 73A 83 66,-2.4 68,-2.2 32,-0.2 2,-0.4 -0.998 16.5-177.9-146.8 140.6 22.7 19.1 40.3 7 45 A F E -Ab 37 74A 0 30,-2.6 30,-3.0 -2,-0.3 2,-0.5 -0.997 9.9-157.5-142.5 129.5 24.5 21.7 42.3 8 46 A I E -Ab 36 75A 49 66,-1.8 68,-2.3 -2,-0.4 2,-0.5 -0.955 0.9-161.8-112.3 126.4 28.2 21.7 43.4 9 47 A I E - b 0 76A 4 26,-3.0 68,-0.2 -2,-0.5 -2,-0.0 -0.925 6.0-164.7-104.7 125.7 29.5 23.7 46.3 10 48 A T E - b 0 77A 64 66,-2.3 68,-2.2 -2,-0.5 2,-0.1 -0.893 8.5-150.1-115.4 105.0 33.3 24.2 46.4 11 49 A P E - b 0 78A 20 0, 0.0 2,-0.4 0, 0.0 68,-0.2 -0.477 7.9-167.1 -72.9 139.2 34.7 25.4 49.7 12 50 A V E - b 0 79A 18 66,-2.5 68,-2.8 -2,-0.1 2,-0.5 -0.996 10.8-154.3-123.0 119.5 37.9 27.5 49.7 13 51 A V E - b 0 80A 0 -2,-0.4 9,-2.6 66,-0.2 10,-0.8 -0.895 9.2-166.2-105.7 123.5 39.5 27.9 53.2 14 52 A I E -Cb 21 81A 2 66,-2.8 68,-3.0 -2,-0.5 2,-0.9 -0.920 18.0-144.0-113.7 126.1 41.7 31.0 53.8 15 53 A D E >>> -Cb 20 82A 10 5,-2.8 4,-2.4 -2,-0.5 5,-1.2 -0.796 15.3-162.6 -85.5 109.9 44.0 31.4 56.7 16 54 A A T 345S+ 0 0 0 66,-3.5 126,-0.3 -2,-0.9 67,-0.2 0.661 80.5 70.3 -70.0 -21.2 43.5 35.2 57.4 17 55 A T T 345S+ 0 0 64 65,-0.4 -1,-0.3 1,-0.2 66,-0.1 0.849 122.8 10.2 -71.8 -25.6 46.7 35.4 59.4 18 56 A T T <45S- 0 0 87 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.564 97.8-117.1-124.3 -13.0 48.7 35.0 56.3 19 57 A G T <5 + 0 0 30 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.659 64.7 144.7 80.9 21.8 46.3 35.2 53.4 20 58 A T E < -C 15 0A 61 -5,-1.2 -5,-2.8 1,-0.0 2,-0.8 -0.684 56.6-123.3-104.5 140.7 47.0 31.7 52.3 21 59 A D E +C 14 0A 89 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.2 -0.736 35.5 169.5 -75.6 109.0 44.6 29.2 50.7 22 60 A V >> + 0 0 7 -9,-2.6 3,-2.0 -2,-0.8 4,-1.4 0.185 34.0 122.1-109.0 18.6 44.8 26.2 53.2 23 61 A T G >4 S+ 0 0 31 -10,-0.8 3,-0.6 1,-0.3 -1,-0.2 0.843 73.7 49.7 -53.5 -46.1 41.9 24.3 51.8 24 62 A Q G 34 S+ 0 0 201 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.641 117.7 40.8 -70.6 -14.2 44.0 21.2 51.0 25 63 A S G <4 S+ 0 0 92 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.489 99.5 89.4-107.9 -11.1 45.4 21.1 54.5 26 64 A A S << S- 0 0 14 -4,-1.4 2,-0.4 -3,-0.6 28,-0.2 -0.579 79.3-115.5 -94.2 149.9 42.3 22.0 56.6 27 65 A E E -J 53 0B 137 26,-2.8 26,-2.2 -2,-0.2 2,-0.4 -0.723 40.5-166.7 -76.5 131.4 39.7 19.7 58.0 28 66 A I E -J 52 0B 51 -2,-0.4 2,-0.4 24,-0.2 24,-0.2 -0.991 11.0-174.5-131.1 134.8 36.4 20.5 56.2 29 67 A S E -J 51 0B 58 22,-3.0 22,-2.4 -2,-0.4 2,-0.5 -0.960 14.5-151.0-132.3 141.4 32.9 19.5 57.1 30 68 A F E -J 50 0B 55 -2,-0.4 20,-0.2 3,-0.3 3,-0.1 -0.951 17.8-139.1-104.4 128.9 29.5 19.9 55.3 31 69 A S S S+ 0 0 67 18,-2.8 2,-0.3 -2,-0.5 -1,-0.1 0.817 93.5 7.5 -51.5 -39.0 26.4 20.1 57.6 32 70 A K S S- 0 0 139 17,-0.2 3,-0.3 -3,-0.1 -1,-0.2 -0.979 119.2 -2.7-145.9 136.3 24.7 17.9 55.0 33 71 A G S S- 0 0 54 -2,-0.3 -3,-0.3 1,-0.2 4,-0.1 -0.083 79.0 -81.8 83.3-174.5 26.0 16.1 52.1 34 72 A N S S- 0 0 123 2,-0.5 -1,-0.2 -5,-0.1 3,-0.1 0.117 74.0 -82.9-118.1 18.7 29.4 15.9 50.4 35 73 A G S S+ 0 0 4 -3,-0.3 -26,-3.0 1,-0.2 2,-0.5 0.140 110.5 88.8 99.5 -23.0 29.5 19.1 48.3 36 74 A T E -A 8 0A 62 -28,-0.2 -2,-0.5 39,-0.0 2,-0.4 -0.960 58.4-169.4-114.4 122.0 27.5 17.6 45.4 37 75 A Y E -A 7 0A 17 -30,-3.0 -30,-2.6 -2,-0.5 2,-0.4 -0.951 0.7-168.6-120.8 131.2 23.7 17.9 45.6 38 76 A E E -A 6 0A 117 -2,-0.4 -32,-0.2 -32,-0.2 4,-0.1 -0.965 13.3-134.5-131.1 129.8 21.3 16.1 43.3 39 77 A G - 0 0 4 -34,-2.5 4,-0.3 2,-0.4 3,-0.2 -0.059 22.2-116.6 -74.6-177.7 17.6 16.6 42.9 40 78 A T S S- 0 0 132 2,-1.9 3,-0.1 -36,-0.1 -36,-0.1 -0.080 97.7 -58.5-134.9 39.3 14.8 14.0 42.7 41 79 A P S S+ 0 0 32 0, 0.0 -36,-3.2 0, 0.0 -2,-0.4 -0.996 144.2 54.3 -92.0 -16.3 14.7 15.3 39.9 42 80 A E S S- 0 0 113 -3,-0.2 -2,-1.9 -38,-0.2 2,-0.5 -0.545 72.3-144.3 -79.6 142.4 14.1 18.8 41.4 43 81 A L B -L 68 0C 17 25,-2.7 25,-2.5 -4,-0.3 2,-0.2 -0.964 13.7-136.6-106.1 128.9 16.4 20.2 44.0 44 82 A A - 0 0 71 -2,-0.5 2,-0.1 23,-0.2 21,-0.1 -0.547 31.8 -98.5 -80.7 146.4 14.8 22.4 46.8 45 83 A S + 0 0 66 -2,-0.2 2,-0.3 19,-0.1 -1,-0.1 -0.445 58.4 168.7 -60.2 132.5 16.5 25.5 47.8 46 84 A E E - K 0 65B 74 19,-1.4 19,-3.2 -2,-0.1 2,-0.5 -0.992 34.8-124.5-154.3 145.9 18.5 24.7 51.0 47 85 A S E - K 0 64B 76 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.821 23.3-168.1 -97.7 125.5 21.2 26.2 53.2 48 86 A I E - K 0 63B 0 15,-2.7 15,-2.2 -2,-0.5 2,-0.5 -0.933 10.1-148.1-112.6 134.6 24.4 24.2 53.8 49 87 A N E - K 0 62B 48 -2,-0.4 -18,-2.8 13,-0.2 2,-0.5 -0.891 9.7-159.8-103.6 131.4 26.8 25.2 56.5 50 88 A I E -JK 30 61B 0 11,-3.3 11,-1.8 -2,-0.5 2,-0.3 -0.958 7.4-168.8-112.4 125.2 30.5 24.5 55.8 51 89 A N E -JK 29 60B 52 -22,-2.4 -22,-3.0 -2,-0.5 2,-0.3 -0.867 1.9-170.3-111.2 147.5 33.0 24.4 58.7 52 90 A A E -JK 28 59B 0 7,-2.7 7,-1.8 -2,-0.3 2,-0.4 -0.981 6.4-165.3-135.8 150.9 36.8 24.3 58.6 53 91 A K E +JK 27 58B 71 -26,-2.2 -26,-2.8 -2,-0.3 2,-0.3 -0.998 16.9 157.7-138.7 132.4 39.5 23.7 61.2 54 92 A Y E > S- K 0 57B 43 3,-2.0 3,-2.3 -2,-0.4 -28,-0.1 -0.882 70.3 -13.0-160.0 124.3 43.2 24.4 60.8 55 93 A K T 3 S- 0 0 157 1,-0.3 3,-0.1 -2,-0.3 -29,-0.0 0.869 127.6 -52.6 49.3 44.5 45.9 25.0 63.4 56 94 A G T 3 S+ 0 0 74 1,-0.3 2,-0.3 28,-0.0 -1,-0.3 0.444 114.2 117.5 76.9 -3.9 43.3 25.4 66.1 57 95 A X E < -K 54 0B 8 -3,-2.3 -3,-2.0 25,-0.0 2,-0.3 -0.771 44.4-167.9 -92.4 140.1 41.4 28.1 64.2 58 96 A T E +K 53 0B 64 -2,-0.3 25,-0.4 25,-0.3 2,-0.3 -0.946 10.2 168.1-126.4 153.7 37.8 27.3 63.2 59 97 A G E -K 52 0B 9 -7,-1.8 -7,-2.7 -2,-0.3 2,-0.3 -0.978 11.9-160.4-158.1 160.9 35.5 29.1 60.8 60 98 A S E -K 51 0B 65 -2,-0.3 2,-0.3 -9,-0.2 21,-0.3 -0.966 6.2-177.6-147.3 151.5 32.2 28.6 59.0 61 99 A A E -K 50 0B 18 -11,-1.8 -11,-3.3 -2,-0.3 2,-0.3 -0.975 17.6-138.0-146.7 153.7 30.1 29.9 56.1 62 100 A S E -K 49 0B 56 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.853 12.9-168.5-112.6 149.3 26.7 29.2 54.7 63 101 A V E -K 48 0B 9 -15,-2.2 -15,-2.7 -2,-0.3 2,-0.7 -1.000 16.0-139.2-136.2 135.5 25.7 28.8 51.1 64 102 A T E -K 47 0B 72 -2,-0.4 -17,-0.2 -17,-0.2 -19,-0.1 -0.864 13.4-146.2 -97.1 114.7 22.1 28.6 49.7 65 103 A I E -K 46 0B 0 -19,-3.2 -19,-1.4 -2,-0.7 2,-0.1 -0.727 27.9-122.9 -68.1 129.5 21.7 26.0 47.0 66 104 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 8,-0.1 -0.397 26.6 -95.0 -72.3 157.7 19.1 27.5 44.6 67 105 A A - 0 0 70 -22,-0.1 2,-0.4 -2,-0.1 -23,-0.2 -0.580 52.0-168.3 -68.8 127.1 15.8 25.7 43.7 68 106 A L B -L 43 0C 6 -25,-2.5 -25,-2.7 -2,-0.3 -63,-0.2 -0.978 13.6-144.0-130.4 139.1 16.6 23.8 40.5 69 107 A K > - 0 0 72 -2,-0.4 3,-2.1 -27,-0.2 -30,-0.1 -0.368 53.0 -53.5 -90.3 167.0 14.3 22.0 38.0 70 108 A A T 3 S+ 0 0 47 1,-0.3 -66,-0.2 -2,-0.1 -1,-0.2 -0.139 124.0 9.0 -44.6 130.4 15.1 18.8 36.2 71 109 A G T 3 S+ 0 0 18 -68,-1.5 -1,-0.3 1,-0.2 2,-0.1 0.264 89.4 135.0 79.9 -11.1 18.3 19.0 34.2 72 110 A Q < - 0 0 32 -3,-2.1 -66,-2.4 -69,-0.2 2,-0.4 -0.441 34.7-165.3 -72.3 144.7 19.6 22.3 35.6 73 111 A F E +bD 6 207A 37 134,-2.6 134,-3.1 -68,-0.2 2,-0.3 -0.989 14.4 159.9-134.8 129.8 23.2 22.3 36.7 74 112 A G E -bD 7 206A 0 -68,-2.2 -66,-1.8 -2,-0.4 2,-0.3 -0.915 15.8-167.8-142.1 164.9 25.0 24.9 38.9 75 113 A A E -bD 8 205A 10 130,-1.0 130,-0.6 -2,-0.3 2,-0.3 -0.977 4.7-176.6-150.3 152.7 28.1 25.4 41.0 76 114 A K E -b 9 0A 41 -68,-2.3 -66,-2.3 -2,-0.3 2,-0.3 -0.991 19.6-134.9-150.2 140.2 29.3 28.1 43.5 77 115 A E E -b 10 0A 72 -2,-0.3 2,-0.4 -68,-0.2 48,-0.1 -0.672 18.2-158.5 -87.3 148.9 32.4 28.6 45.5 78 116 A V E -b 11 0A 15 -68,-2.2 -66,-2.5 -2,-0.3 2,-0.5 -0.996 8.0-141.5-133.3 131.2 32.2 29.5 49.2 79 117 A T E -b 12 0A 27 -2,-0.4 2,-0.5 -68,-0.2 -66,-0.2 -0.766 10.2-164.4 -91.9 129.0 35.0 31.2 51.1 80 118 A I E -b 13 0A 0 -68,-2.8 -66,-2.8 -2,-0.5 2,-0.5 -0.971 12.0-149.3-110.1 119.7 35.6 30.1 54.7 81 119 A I E -b 14 0A 10 -2,-0.5 2,-0.5 -21,-0.3 7,-0.2 -0.785 8.2-164.7 -91.3 126.8 37.8 32.6 56.7 82 120 A L E +b 15 0A 0 -68,-3.0 -66,-3.5 -2,-0.5 -65,-0.4 -0.951 22.6 151.5-110.2 131.2 40.0 31.2 59.5 83 121 A S - 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0 0 54 68,-2.2 2,-0.1 -2,-0.4 70,-0.0 -0.231 33.4 -95.9 -70.9 168.2 21.2 28.7 22.0 104 142 A G - 0 0 63 1,-0.1 2,-0.4 66,-0.1 67,-0.3 -0.248 53.1 -91.0 -69.4 176.4 19.1 28.2 18.9 105 143 A F - 0 0 94 65,-0.1 2,-0.6 -2,-0.1 65,-0.2 -0.813 24.1-158.2-105.3 133.5 16.7 25.2 18.8 106 144 A K E -F 169 0A 68 63,-2.6 63,-3.0 -2,-0.4 2,-0.5 -0.945 19.9-147.1-100.1 119.9 17.3 21.6 17.6 107 145 A N E -F 168 0A 81 -2,-0.6 2,-0.6 61,-0.2 61,-0.2 -0.808 9.9-165.6 -86.0 131.0 14.0 20.0 16.9 108 146 A N E +F 167 0A 12 59,-3.3 59,-1.7 -2,-0.5 58,-0.6 -0.837 16.7 167.4-111.7 89.9 14.0 16.3 17.6 109 147 A T + 0 0 87 -2,-0.6 -1,-0.1 57,-0.2 56,-0.1 0.503 47.5 102.0 -78.0 -2.9 10.8 15.1 15.8 110 148 A S S S- 0 0 47 2,-0.2 56,-1.8 57,-0.1 57,-0.1 -0.232 82.3-117.9 -80.6 171.7 11.9 11.4 16.2 111 149 A D S S+ 0 0 45 54,-0.2 114,-3.1 113,-0.1 115,-0.6 0.195 88.6 82.4 -93.0 16.4 10.8 8.8 18.7 112 150 A Y B -Mn 224 226D 119 112,-0.2 2,-0.2 113,-0.2 115,-0.2 -0.967 63.6-147.5-129.8 134.1 14.3 8.5 20.2 113 151 A W + 0 0 33 113,-1.7 2,-0.3 110,-0.7 51,-0.2 -0.592 23.3 174.6 -90.0 162.2 16.2 10.5 22.8 114 152 A Y E -G 163 0A 81 49,-2.1 49,-3.5 113,-0.3 2,-0.3 -0.965 31.4 -96.8-158.6 167.4 19.9 10.9 22.8 115 153 A Y E -G 162 0A 110 -2,-0.3 2,-0.3 47,-0.2 47,-0.2 -0.749 33.9-170.1 -90.3 142.6 22.9 12.7 24.4 116 154 A I E -G 161 0A 43 45,-2.7 45,-1.9 -2,-0.3 2,-0.5 -0.835 23.9-113.3-126.0 161.1 24.3 15.9 23.1 117 155 A T E - 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