==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-NOV-01 1KBV . COMPND 2 MOLECULE: MAJOR OUTER MEMBRANE PROTEIN PAN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; . AUTHOR M.J.BOULANGER,M.E.P.MURPHY . 1812 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57831.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1356 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 217 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 459 25.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.7 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 . 2 0.1 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 . 277 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 169 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.2 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 1 6 12 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 3 9 12 0 0 1 11 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 . 30 12 10 14 0 12 4 9 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 6 6 6 6 0 0 0 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 13 A E 0 0 188 0, 0.0 3,-0.1 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 145.8 -36.6 -19.2 -4.2 2 14 A L - 0 0 60 1,-0.1 23,-0.1 23,-0.0 64,-0.0 -0.287 360.0 -86.6 -79.4 158.4 -35.8 -15.5 -4.2 3 15 A P - 0 0 63 0, 0.0 23,-2.6 0, 0.0 2,-0.4 -0.318 48.1-124.6 -59.5 137.9 -37.2 -12.5 -6.1 4 16 A V E -a 26 0A 75 21,-0.2 2,-0.4 -3,-0.1 23,-0.2 -0.702 29.9-176.8 -91.6 139.5 -35.6 -12.1 -9.5 5 17 A I E -a 27 0A 44 21,-2.5 23,-2.8 -2,-0.4 2,-0.6 -0.993 24.1-136.0-139.4 130.4 -33.9 -8.8 -10.4 6 18 A D E -a 28 0A 110 -2,-0.4 23,-0.1 21,-0.2 21,-0.1 -0.749 34.5-125.2 -84.4 119.9 -32.3 -7.8 -13.6 7 19 A A - 0 0 28 21,-2.3 2,-0.6 -2,-0.6 23,-0.1 -0.332 9.6-142.9 -67.2 146.6 -29.1 -6.0 -12.7 8 20 A V - 0 0 90 53,-0.3 2,-0.3 9,-0.1 53,-0.3 -0.965 25.9-177.4-109.7 111.3 -28.4 -2.5 -14.0 9 21 A T - 0 0 31 -2,-0.6 2,-0.4 51,-0.1 51,-0.2 -0.835 11.8-142.7-110.8 151.7 -24.7 -2.3 -14.8 10 22 A T B -G 59 0B 19 49,-1.3 49,-2.5 -2,-0.3 2,-0.1 -0.915 10.3-126.3-122.4 144.1 -22.9 0.8 -15.9 11 23 A H > - 0 0 69 -2,-0.4 3,-0.9 47,-0.2 145,-0.1 -0.482 64.9 -54.6 -76.2 154.9 -20.1 1.6 -18.4 12 24 A A T 3 S+ 0 0 28 44,-0.4 -1,-0.1 1,-0.2 3,-0.1 -0.343 121.0 24.5 -74.1 139.3 -17.3 3.6 -16.8 13 25 A P T 3 S+ 0 0 37 0, 0.0 143,-2.2 0, 0.0 -1,-0.2 -0.851 109.8 89.9 127.3 -32.4 -17.4 6.9 -15.0 14 26 A E < - 0 0 130 -3,-0.9 45,-0.3 141,-0.2 -4,-0.2 -0.313 63.5-156.7 -72.7 147.5 -21.1 5.9 -14.3 15 27 A V - 0 0 23 139,-0.4 139,-0.1 -3,-0.1 3,-0.1 -0.949 25.9-106.7-121.4 139.6 -22.3 4.0 -11.2 16 28 A P - 0 0 2 0, 0.0 3,-0.1 0, 0.0 -7,-0.1 -0.118 52.8 -76.1 -61.5 163.1 -25.6 1.9 -11.1 17 29 A P - 0 0 89 0, 0.0 -9,-0.1 0, 0.0 3,-0.0 -0.231 57.5 -97.3 -58.7 148.1 -28.5 3.2 -9.0 18 30 A A - 0 0 33 -3,-0.1 2,-0.6 1,-0.1 43,-0.0 -0.279 43.2-104.6 -63.1 155.9 -28.2 2.9 -5.2 19 31 A I + 0 0 26 43,-0.1 2,-0.4 -3,-0.1 129,-0.2 -0.780 36.6 179.6 -91.4 116.8 -29.9 -0.2 -3.8 20 32 A D + 0 0 100 -2,-0.6 2,-0.3 127,-0.1 -1,-0.1 -0.601 45.2 96.0-115.8 68.4 -33.2 0.6 -2.0 21 33 A R - 0 0 39 -2,-0.4 -2,-0.0 124,-0.2 126,-0.0 -0.984 54.8-152.7-152.0 147.2 -34.5 -2.8 -0.8 22 34 A D S S+ 0 0 140 -2,-0.3 123,-0.0 2,-0.1 124,-0.0 -0.231 70.4 73.0-119.4 45.4 -34.2 -4.7 2.5 23 35 A Y S S- 0 0 99 122,-0.0 2,-0.1 -20,-0.0 40,-0.1 -0.984 83.6 -97.2-153.5 149.5 -34.5 -8.3 1.3 24 36 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 42,-0.1 -0.367 42.7-176.9 -69.1 148.2 -32.2 -10.8 -0.6 25 37 A A - 0 0 0 38,-0.2 42,-2.5 -23,-0.1 2,-0.9 -0.960 34.8-115.1-145.0 159.8 -32.6 -11.2 -4.3 26 38 A K E -ab 4 67A 41 -23,-2.6 -21,-2.5 -2,-0.3 2,-0.7 -0.881 37.5-158.7 -96.1 106.0 -31.2 -13.3 -7.2 27 39 A V E -ab 5 68A 4 40,-2.7 42,-2.0 -2,-0.9 2,-0.6 -0.818 4.6-146.5 -94.4 115.0 -29.6 -10.6 -9.4 28 40 A R E -ab 6 69A 113 -23,-2.8 -21,-2.3 -2,-0.7 2,-0.4 -0.705 18.4-174.1 -83.0 118.1 -29.1 -11.6 -13.0 29 41 A V E - b 0 70A 3 40,-2.9 42,-2.8 -2,-0.6 2,-0.5 -0.926 10.1-157.8-115.0 136.0 -26.0 -10.1 -14.5 30 42 A K E + b 0 71A 137 -2,-0.4 2,-0.4 40,-0.2 42,-0.2 -0.957 16.0 175.3-113.8 127.1 -25.1 -10.4 -18.2 31 43 A M E - b 0 72A 7 40,-2.4 42,-3.2 -2,-0.5 2,-0.4 -0.988 10.1-168.6-131.9 143.8 -21.4 -10.0 -19.2 32 44 A E E - b 0 73A 73 -2,-0.4 20,-4.0 40,-0.2 2,-0.5 -0.981 13.4-144.0-130.5 141.7 -19.7 -10.4 -22.5 33 45 A T E +Cb 51 74A 0 40,-2.3 42,-2.0 -2,-0.4 2,-0.4 -0.925 25.0 174.5-107.2 127.8 -16.0 -10.6 -23.3 34 46 A V E -C 50 0A 23 16,-1.6 16,-2.3 -2,-0.5 2,-0.4 -0.999 23.8-143.7-138.1 135.9 -14.8 -8.9 -26.5 35 47 A E E +C 49 0A 7 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.799 34.2 158.2 -96.1 134.4 -11.4 -8.3 -28.0 36 48 A K E -C 48 0A 78 12,-2.7 12,-2.4 -2,-0.4 2,-0.5 -0.996 41.6-114.9-157.1 153.8 -11.0 -5.1 -29.9 37 49 A T E +C 47 0A 54 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.790 44.0 163.2 -93.8 126.9 -8.4 -2.6 -31.1 38 50 A M E -C 46 0A 27 8,-2.4 8,-2.4 -2,-0.5 2,-0.3 -0.914 42.6 -86.5-138.5 167.1 -8.7 0.9 -29.5 39 51 A K E +C 45 0A 110 -2,-0.3 6,-0.3 6,-0.2 3,-0.1 -0.585 30.2 179.4 -77.7 129.8 -6.7 4.0 -29.1 40 52 A M E S- 0 0 0 4,-3.3 155,-2.8 1,-0.5 2,-0.3 0.779 74.8 -21.8 -93.7 -39.1 -4.4 4.1 -26.0 41 53 A D E > S-C 44 0A 38 3,-1.4 3,-2.6 153,-0.2 -1,-0.5 -0.903 103.1 -44.1-157.5 177.0 -3.1 7.6 -26.7 42 54 A D T 3 S- 0 0 121 1,-0.3 3,-0.1 -2,-0.3 127,-0.0 -0.340 129.8 -4.2 -57.2 122.8 -2.9 9.8 -29.8 43 55 A G T 3 S+ 0 0 22 1,-0.2 129,-2.4 -2,-0.1 2,-0.5 0.588 112.4 111.6 70.5 10.2 -1.6 7.7 -32.7 44 56 A V E < -Cd 41 172A 0 -3,-2.6 -4,-3.3 127,-0.2 -3,-1.4 -0.967 45.0-173.5-122.1 120.4 -1.2 4.7 -30.4 45 57 A E E -Cd 39 173A 91 127,-2.1 129,-2.8 -2,-0.5 2,-0.3 -0.763 0.8-172.1-109.7 157.5 -3.5 1.7 -30.7 46 58 A Y E -Cd 38 174A 2 -8,-2.4 -8,-2.4 -2,-0.3 2,-1.1 -0.990 29.3-120.6-146.6 147.0 -3.7 -1.4 -28.5 47 59 A R E -C 37 0A 104 127,-0.5 -10,-0.2 -2,-0.3 2,-0.2 -0.776 39.6-165.6 -91.2 97.7 -5.5 -4.7 -28.7 48 60 A Y E -C 36 0A 0 -12,-2.4 -12,-2.7 -2,-1.1 2,-0.6 -0.575 18.0-151.0 -86.4 149.1 -7.7 -4.7 -25.6 49 61 A W E -C 35 0A 29 85,-1.9 2,-0.3 -14,-0.2 -14,-0.2 -0.991 36.0-177.0-114.4 119.2 -9.4 -7.7 -24.2 50 62 A T E -C 34 0A 1 -16,-2.3 -16,-1.6 -2,-0.6 2,-0.7 -0.763 40.5-126.2-125.5 167.8 -12.5 -6.4 -22.5 51 63 A F E > S-CE 33 54A 0 3,-0.9 3,-0.8 84,-0.4 -18,-0.3 -0.967 102.8 -14.6-107.2 109.8 -15.6 -7.1 -20.4 52 64 A D T 3 S- 0 0 26 -20,-4.0 -1,-0.2 -2,-0.7 -19,-0.1 0.775 126.4 -52.7 64.3 34.7 -18.4 -5.6 -22.5 53 65 A G T 3 S+ 0 0 13 -19,-0.2 2,-0.3 -21,-0.2 -1,-0.2 0.359 114.5 37.8 93.1 -8.6 -16.4 -3.4 -24.9 54 66 A D B < S-E 51 0A 56 -3,-0.8 -3,-0.9 2,-0.1 -1,-0.1 -0.959 85.9 -60.8-160.6-180.0 -14.1 -1.2 -22.8 55 67 A V S S+ 0 0 3 -2,-0.3 2,-0.2 137,-0.3 139,-0.1 -0.975 109.5 28.0-121.6 124.4 -11.9 -0.9 -19.8 56 68 A P S S- 0 0 1 0, 0.0 -44,-0.4 0, 0.0 82,-0.3 0.572 95.4-119.4 -79.5-178.9 -13.0 -1.3 -17.1 57 69 A G - 0 0 0 80,-2.5 82,-0.3 64,-0.2 2,-0.1 -0.134 50.8 -63.9 -72.4 177.4 -15.9 -3.7 -17.5 58 70 A R - 0 0 90 -7,-0.1 -47,-0.2 80,-0.1 2,-0.2 -0.432 56.4-115.1 -68.1 135.7 -19.4 -2.6 -16.4 59 71 A M B -G 10 0B 0 -49,-2.5 -49,-1.3 -45,-0.3 2,-0.4 -0.506 28.2-153.1 -72.4 135.1 -19.8 -1.9 -12.8 60 72 A I E -h 140 0C 1 79,-2.1 81,-3.3 -2,-0.2 2,-0.4 -0.863 7.1-164.8-110.0 146.8 -22.1 -4.3 -10.9 61 73 A R E +h 141 0C 16 -2,-0.4 -53,-0.3 -53,-0.3 2,-0.2 -0.963 20.0 150.6-137.4 116.6 -24.0 -3.3 -7.8 62 74 A V E -h 142 0C 0 79,-2.9 81,-3.3 -2,-0.4 2,-0.4 -0.754 39.0-102.7-134.2-178.4 -25.7 -5.8 -5.5 63 75 A R E > -h 143 0C 15 79,-0.2 3,-2.8 -2,-0.2 50,-0.2 -0.880 41.9 -94.0-115.1 141.1 -26.7 -6.2 -1.8 64 76 A E T 3 S+ 0 0 44 79,-2.8 50,-0.2 -2,-0.4 3,-0.1 -0.301 116.0 27.9 -49.3 122.4 -25.0 -8.2 0.9 65 77 A G T 3 S+ 0 0 8 48,-3.2 -1,-0.3 1,-0.4 49,-0.1 0.204 91.2 130.3 106.6 -14.1 -26.8 -11.6 0.9 66 78 A D < - 0 0 0 -3,-2.8 47,-3.0 47,-0.3 2,-0.6 -0.284 57.4-128.7 -70.5 156.7 -27.9 -11.5 -2.8 67 79 A T E -bF 26 112A 21 -42,-2.5 -40,-2.7 45,-0.2 2,-0.7 -0.943 21.2-150.2-106.1 124.8 -27.3 -14.4 -5.1 68 80 A V E -bF 27 111A 0 43,-3.5 43,-1.6 -2,-0.6 2,-0.7 -0.880 7.8-164.3-101.3 112.7 -25.6 -13.2 -8.3 69 81 A E E -bF 28 110A 57 -42,-2.0 -40,-2.9 -2,-0.7 2,-0.5 -0.862 11.0-161.1 -98.5 112.9 -26.5 -15.2 -11.3 70 82 A V E -bF 29 109A 0 39,-2.9 39,-1.9 -2,-0.7 2,-0.8 -0.834 16.6-163.9-102.0 126.9 -24.0 -14.5 -14.1 71 83 A E E -bF 30 108A 66 -42,-2.8 -40,-2.4 -2,-0.5 2,-0.7 -0.932 21.7-165.9-105.0 102.8 -24.6 -15.3 -17.8 72 84 A F E -bF 31 107A 0 35,-3.8 35,-3.4 -2,-0.8 2,-0.4 -0.853 6.5-173.9-100.2 109.1 -21.1 -15.1 -19.1 73 85 A S E -bF 32 106A 22 -42,-3.2 -40,-2.3 -2,-0.7 2,-0.7 -0.842 16.0-154.6-107.3 136.7 -20.7 -14.8 -22.9 74 86 A N E -bF 33 105A 3 31,-2.6 30,-3.1 -2,-0.4 31,-0.6 -0.931 33.7-116.3-109.4 110.3 -17.5 -14.9 -24.9 75 87 A N > - 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