==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 17-MAY-12 4AUI . COMPND 2 MOLECULE: PORIN (PORB); . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; . AUTHOR K.ZETH,V.KOZJAK-PAVLOVIC,M.FAULSTICH,R.HURWITZ,O.KEPP,T.RUDE . 947 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 664 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 519 54.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 22 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 72 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 0 2 3 4 9 8 9 4 1 3 2 6 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 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 D 0 0 110 0, 0.0 45,-1.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 59.9 8.5 -9.1 30.6 2 2 A V E -A 45 0A 11 43,-0.2 930,-0.4 928,-0.1 2,-0.4 -0.828 360.0-169.1-101.4 146.4 11.6 -7.1 29.9 3 3 A T E -A 44 0A 33 41,-2.3 41,-1.5 -2,-0.4 2,-0.5 -0.995 17.8-160.7-141.0 130.9 12.4 -4.1 32.0 4 4 A L E +A 43 0A 25 928,-0.8 39,-0.2 -2,-0.4 2,-0.2 -0.950 34.4 145.4-109.0 136.0 14.8 -1.2 31.9 5 5 A Y E +A 42 0A 40 37,-2.9 37,-2.8 -2,-0.5 2,-0.3 -0.799 5.1 127.4-154.8-178.4 15.3 0.6 35.1 6 6 A G E -A 41 0A 10 302,-2.3 302,-2.8 35,-0.3 2,-0.3 -0.952 42.3-103.2 149.4-168.8 17.8 2.3 37.3 7 7 A T E -AB 40 307A 12 33,-2.5 33,-2.5 -2,-0.3 2,-0.5 -0.957 13.6-153.2-153.7 146.8 18.2 5.6 39.2 8 8 A I E + B 0 306A 4 298,-2.9 298,-3.1 -2,-0.3 2,-0.3 -0.979 24.2 158.2-122.6 124.3 20.1 8.8 38.6 9 9 A K E + B 0 305A 24 -2,-0.5 28,-1.4 296,-0.3 30,-0.3 -0.994 7.6 145.3-144.2 136.0 21.2 11.0 41.5 10 10 A A E +CB 36 304A 1 294,-1.6 294,-2.2 -2,-0.3 2,-0.3 -0.885 5.7 126.5-154.3-176.7 24.0 13.6 41.7 11 11 A G E -C 35 0A 9 24,-1.5 24,-3.1 292,-0.3 2,-0.3 -0.913 51.7 -37.0 146.1-168.4 24.9 16.9 43.3 12 12 A V E -C 34 0A 58 -2,-0.3 290,-0.9 290,-0.3 2,-0.5 -0.641 34.0-161.3-104.2 146.1 27.4 18.7 45.3 13 13 A E E -CD 33 301A 11 20,-2.8 20,-2.1 -2,-0.3 2,-0.5 -0.964 3.1-172.2-121.7 116.2 29.7 17.7 48.3 14 14 A T E +CD 32 300A 69 286,-3.1 286,-2.7 -2,-0.5 2,-0.3 -0.890 24.1 174.8-105.0 133.8 31.3 20.1 50.5 15 15 A S E -CD 31 299A 19 16,-1.8 16,-1.6 -2,-0.5 2,-0.3 -0.977 16.9-171.2-142.2 149.7 33.6 18.2 52.8 16 16 A R E - D 0 298A 64 282,-1.6 282,-2.4 -2,-0.3 2,-0.4 -0.999 4.6-161.3-144.5 146.1 36.2 18.9 55.5 17 17 A S E - D 0 297A 19 -2,-0.3 2,-0.5 280,-0.2 280,-0.2 -0.975 6.2-161.8-125.0 141.6 38.8 16.8 57.5 18 18 A V E - D 0 296A 32 278,-3.0 278,-2.0 -2,-0.4 2,-0.6 -0.934 14.1-169.5-119.3 107.8 40.6 17.6 60.7 19 19 A A E - D 0 295A 26 -2,-0.5 7,-0.5 276,-0.2 2,-0.4 -0.847 21.1-125.5-100.8 118.8 43.6 15.4 61.0 20 20 A H E + D 0 294A 64 274,-2.7 274,-1.2 -2,-0.6 3,-0.1 -0.866 34.1 171.1-104.2 131.9 45.3 15.5 64.5 21 21 A H E + D 0 293A 64 -2,-0.4 4,-0.3 272,-0.2 3,-0.3 -0.942 29.8 139.3 86.4 -1.2 48.6 16.3 65.0 22 22 A G S S+ 0 0 48 270,-3.1 2,-0.6 1,-0.4 3,-0.2 0.958 91.5 28.2 -54.1 -61.9 48.1 16.5 68.7 23 23 A A S S- 0 0 45 269,-0.8 -1,-0.4 1,-0.2 0, 0.0 -0.792 144.6 -5.0 -99.4 119.8 51.4 14.7 68.3 24 24 A Q S S- 0 0 184 -2,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.995 103.2-113.3 63.4 81.0 53.5 15.5 65.1 25 25 A A + 0 0 64 -4,-0.3 2,-0.1 -3,-0.2 -5,-0.1 -0.009 54.6 102.6 -84.7 147.1 51.1 17.8 63.1 26 26 A D - 0 0 118 -7,-0.5 2,-0.5 2,-0.0 -4,-0.1 -0.505 27.9-149.2 179.9 159.5 48.8 19.0 60.3 27 27 A R - 0 0 126 -2,-0.1 -9,-0.1 -9,-0.1 -7,-0.1 -0.899 22.2-150.1-128.5 115.5 45.1 19.4 59.6 28 28 A V - 0 0 78 -2,-0.5 2,-0.2 1,-0.1 -9,-0.1 0.340 20.9-111.9 -81.9-162.4 43.9 19.0 56.0 29 29 A K - 0 0 99 1,-0.1 -1,-0.1 -13,-0.1 -11,-0.1 -0.690 19.1 -67.4-135.9 173.5 41.1 20.5 54.3 30 30 A T - 0 0 56 -2,-0.2 2,-0.4 -14,-0.2 -14,-0.3 -0.209 33.2-167.5 -48.4 142.1 37.7 21.0 52.6 31 31 A A E -C 15 0A 22 -16,-1.6 -16,-1.8 427,-0.1 2,-0.4 -0.976 4.2-165.4-131.0 138.3 37.2 19.5 49.2 32 32 A T E +C 14 0A 57 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.2 -0.960 21.4 154.4-130.7 117.5 34.1 20.7 47.3 33 33 A E E -C 13 0A 53 -20,-2.1 -20,-2.8 -2,-0.4 2,-0.5 -0.921 48.1-111.8-143.4 158.4 33.0 18.7 44.3 34 34 A I E -C 12 0A 16 -2,-0.3 2,-0.4 -22,-0.2 -22,-0.2 -0.807 46.6-177.5 -87.6 131.1 30.2 17.6 42.0 35 35 A A E -C 11 0A 7 -24,-3.1 -24,-1.5 -2,-0.5 2,-0.6 -0.992 31.8-128.5-138.6 137.5 29.6 14.0 42.6 36 36 A D E -C 10 0A 15 -2,-0.4 2,-1.0 -26,-0.2 -26,-0.3 -0.798 30.9-138.9 -80.7 122.9 27.4 11.3 41.2 37 37 A L - 0 0 10 -28,-1.4 -28,-0.2 -2,-0.6 72,-0.2 -0.748 62.5 -51.8 -93.1 105.1 25.7 9.8 44.1 38 38 A G S S+ 0 0 25 -2,-1.0 -1,-0.2 70,-0.4 -28,-0.1 0.712 83.0 176.8 45.9 31.7 25.5 6.0 43.6 39 39 A S + 0 0 1 -30,-0.3 24,-0.7 23,-0.1 2,-0.3 -0.315 4.8 155.7 -72.5 152.2 23.9 6.4 40.2 40 40 A K E -AE 7 62A 36 -33,-2.5 -33,-2.5 22,-0.3 2,-0.3 -0.995 31.4-135.5-175.9 165.2 23.2 3.3 38.0 41 41 A I E +AE 6 61A 2 20,-2.2 20,-2.7 -2,-0.3 2,-0.3 -0.891 19.7 178.4-128.4 146.1 21.4 1.5 35.3 42 42 A G E -AE 5 60A 0 -37,-2.8 -37,-2.9 -2,-0.3 2,-0.3 -0.999 16.2-166.7-150.1 158.4 19.8 -1.9 34.9 43 43 A F E +AE 4 59A 3 16,-2.8 16,-2.8 -2,-0.3 2,-0.3 -0.884 29.4 140.1-130.0 160.9 17.9 -4.2 32.6 44 44 A K E +AE 3 58A 58 -41,-1.5 -41,-2.3 -2,-0.3 2,-0.3 -0.947 16.6 176.1 175.0 171.2 16.2 -7.4 33.7 45 45 A G E -AE 2 57A 9 12,-2.4 12,-2.3 -2,-0.3 2,-0.3 -0.967 18.8-128.2-171.2-174.6 13.2 -9.7 33.4 46 46 A Q E - E 0 56A 64 -45,-1.3 2,-0.3 -2,-0.3 10,-0.2 -0.979 15.9-153.9-151.3 152.8 11.2 -12.8 34.1 47 47 A E E + E 0 55A 32 8,-1.2 8,-2.1 -2,-0.3 2,-0.2 -0.949 10.0 178.9-131.0 150.8 9.4 -15.5 32.0 48 48 A D + 0 0 56 -2,-0.3 6,-0.1 6,-0.2 4,-0.1 -0.784 44.8 95.6-134.5-175.8 6.5 -17.9 32.6 49 49 A L S S+ 0 0 158 2,-0.3 2,-0.1 4,-0.3 -1,-0.1 0.818 82.7 98.3 67.7 35.5 4.6 -20.6 30.5 50 50 A G S S- 0 0 38 3,-0.2 2,-0.2 -3,-0.1 -2,-0.1 0.617 94.1-102.3 82.1-168.0 6.7 -21.8 32.1 51 51 A N - 0 0 129 2,-1.2 -2,-0.3 -2,-0.1 -1,-0.0 -0.727 65.1 -40.4-164.1-160.4 4.8 -23.1 35.1 52 52 A G S S+ 0 0 60 -2,-0.2 2,-0.1 -4,-0.1 -4,-0.0 0.695 125.9 84.4 -52.7 -21.1 4.2 -22.3 38.7 53 53 A L - 0 0 46 30,-0.1 -2,-1.2 31,-0.0 -4,-0.3 -0.363 66.2-165.4 -75.7 159.3 7.9 -21.5 38.1 54 54 A K E - F 0 82A 74 28,-2.0 28,-2.1 -4,-0.1 2,-0.5 -0.987 17.5-128.3-143.8 148.2 9.3 -18.2 36.6 55 55 A A E -EF 47 81A 8 -8,-2.1 -8,-1.2 -2,-0.3 2,-0.4 -0.824 25.4-169.3 -97.6 132.5 12.7 -17.3 35.1 56 56 A I E +EF 46 80A 13 24,-2.6 24,-2.8 -2,-0.5 2,-0.3 -0.965 11.9 163.6-124.7 138.4 14.4 -14.3 36.5 57 57 A W E -EF 45 79A 3 -12,-2.3 -12,-2.4 -2,-0.4 2,-0.3 -0.972 7.8-177.8-143.7 155.1 17.5 -12.6 35.2 58 58 A Q E -EF 44 78A 17 20,-2.4 20,-1.7 -2,-0.3 2,-0.4 -0.983 14.5-170.0-152.5 147.7 19.1 -9.2 35.7 59 59 A L E +E 43 0A 5 -16,-2.8 -16,-2.8 -2,-0.3 2,-0.4 -0.930 21.0 165.0-134.1 114.5 22.0 -7.2 34.5 60 60 A E E +E 42 0A 17 -2,-0.4 15,-1.6 -18,-0.3 2,-0.3 -0.960 6.7 175.6-130.6 144.9 22.7 -3.9 36.4 61 61 A Q E -E 41 0A 0 -20,-2.7 -20,-2.2 -2,-0.4 2,-0.6 -0.941 39.6 -82.8-142.9 168.0 25.9 -1.8 36.3 62 62 A K E -E 40 0A 66 -2,-0.3 2,-0.7 8,-0.2 -22,-0.3 -0.613 38.8-173.8 -76.3 117.2 27.3 1.4 37.6 63 63 A A - 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