==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-APR-06 2GQF . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN HI0933; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR A.M.MULICHAK,Y.PATSKOVSKY,L.J.KEEFE,S.C.ALMO,S.K.BURLEY,NEW . 401 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17245.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 29 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 2 2 0 1 1 1 1 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 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 PARALLEL BRIDGES PER LADDER . 3 5 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 1 0 1 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 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 X 0 0 116 0, 0.0 153,-1.1 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 130.8 42.3 99.7 14.4 2 2 A S E -a 154 0A 67 151,-0.2 153,-0.2 2,-0.0 151,-0.0 -0.631 360.0-170.9-149.4 83.3 43.1 99.7 10.7 3 3 A Q E -a 155 0A 102 151,-0.7 153,-0.9 -2,-0.2 2,-0.3 -0.201 4.9-154.6 -73.4 163.9 46.8 99.1 10.0 4 4 A Y E +a 156 0A 74 151,-0.2 2,-0.3 3,-0.0 153,-0.2 -0.994 15.8 172.7-142.4 146.9 48.6 99.5 6.6 5 5 A S - 0 0 8 151,-2.0 153,-0.4 -2,-0.3 154,-0.3 -0.891 32.6-137.1-154.6 116.7 51.7 97.9 5.1 6 6 A E S S+ 0 0 48 -2,-0.3 153,-2.1 151,-0.2 152,-1.7 0.854 98.2 30.9 -44.3 -38.8 52.7 98.4 1.5 7 7 A N E -de 30 159B 0 22,-0.9 24,-2.4 151,-0.2 2,-0.4 -0.985 69.5-175.3-128.8 129.0 53.6 94.8 1.5 8 8 A I E -de 31 160B 0 151,-2.3 153,-2.8 -2,-0.4 2,-0.4 -0.954 6.8-161.6-121.6 141.9 52.0 92.0 3.5 9 9 A I E -de 32 161B 0 22,-2.3 24,-2.8 -2,-0.4 2,-0.8 -0.991 8.6-149.6-124.8 128.8 53.2 88.3 3.5 10 10 A I E S+de 33 162B 7 151,-2.6 153,-2.0 -2,-0.4 24,-0.2 -0.858 70.9 32.0-101.5 107.3 51.0 85.4 4.7 11 11 A G - 0 0 8 22,-3.0 2,-0.5 -2,-0.8 23,-0.2 0.283 61.2-141.4 116.5 117.0 53.1 82.7 6.2 12 12 A A + 0 0 1 4,-0.2 28,-3.0 26,-0.1 29,-0.2 -0.406 64.3 111.4-101.7 54.8 56.4 82.9 8.1 13 13 A G S > S- 0 0 25 -2,-0.5 4,-2.9 150,-0.4 5,-0.4 -0.146 88.1 -60.2-106.1-155.6 58.1 79.8 6.6 14 14 A A H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.955 136.1 34.5 -55.0 -57.2 61.0 79.3 4.2 15 15 A A H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.898 120.2 50.1 -67.0 -43.0 59.6 81.3 1.3 16 16 A G H > S+ 0 0 0 147,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.950 113.3 44.2 -61.4 -51.4 57.8 83.9 3.5 17 17 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.936 115.1 47.4 -60.0 -50.2 60.8 84.7 5.7 18 18 A F H X S+ 0 0 4 -4,-2.0 4,-2.7 -5,-0.4 -1,-0.2 0.920 113.4 48.0 -59.8 -45.2 63.3 84.9 2.8 19 19 A C H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.919 110.3 51.9 -61.9 -44.2 61.0 87.1 0.7 20 20 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.877 111.4 48.5 -59.6 -38.7 60.3 89.4 3.7 21 21 A A H X S+ 0 0 8 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.946 109.7 50.4 -67.9 -48.8 64.1 89.7 4.2 22 22 A Q H X S+ 0 0 20 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.869 111.4 49.9 -57.0 -39.3 64.8 90.5 0.5 23 23 A L H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 -1,-0.2 0.932 112.2 45.0 -66.0 -48.7 62.1 93.2 0.5 24 24 A A H ><5S+ 0 0 7 -4,-2.0 3,-1.4 3,-0.2 -2,-0.2 0.919 114.2 51.7 -60.6 -42.6 63.4 94.9 3.7 25 25 A K H 3<5S+ 0 0 98 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.779 108.1 50.2 -65.2 -29.8 66.9 94.6 2.3 26 26 A L T 3<5S- 0 0 70 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.369 128.6-100.8 -89.7 5.0 65.8 96.2 -1.0 27 27 A G T < 5S+ 0 0 62 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.858 76.5 133.1 82.1 39.8 64.2 99.0 1.0 28 28 A K < - 0 0 46 -5,-2.5 2,-0.4 -6,-0.1 -1,-0.2 -0.933 56.9-115.1-123.0 145.5 60.5 98.1 1.0 29 29 A S + 0 0 83 -2,-0.4 -22,-0.9 95,-0.1 2,-0.3 -0.646 43.5 167.8 -79.7 127.5 58.1 98.0 4.0 30 30 A V E -d 7 0B 7 -2,-0.4 95,-2.1 93,-0.2 2,-0.4 -0.992 22.5-164.8-147.5 137.5 56.8 94.6 4.7 31 31 A T E -df 8 125B 13 -24,-2.4 -22,-2.3 -2,-0.3 2,-0.5 -0.950 12.4-152.5-118.4 137.5 54.9 92.8 7.5 32 32 A V E -df 9 126B 0 93,-3.1 95,-3.3 -2,-0.4 2,-0.4 -0.940 6.5-163.1-115.1 129.9 54.6 89.1 7.8 33 33 A F E +df 10 127B 1 -24,-2.8 -22,-3.0 -2,-0.5 2,-0.3 -0.857 9.3 179.1-108.8 143.9 51.7 87.3 9.5 34 34 A D - 0 0 11 93,-1.7 96,-2.6 -2,-0.4 95,-0.2 -0.954 30.3-148.4-149.7 129.0 51.8 83.7 10.7 35 35 A N S S+ 0 0 60 -2,-0.3 96,-0.2 94,-0.2 -1,-0.1 0.616 78.7 86.9 -67.2 -12.3 49.1 81.5 12.4 36 36 A G S S- 0 0 8 94,-0.2 93,-3.1 2,-0.1 94,-0.3 -0.246 80.0-126.9 -86.1 176.2 51.9 79.7 14.3 37 37 A K S S+ 0 0 138 91,-0.2 2,-0.3 1,-0.1 91,-0.1 0.658 92.6 31.0 -94.8 -20.7 53.8 80.5 17.5 38 38 A K S S- 0 0 147 90,-0.0 3,-0.4 -26,-0.0 -1,-0.1 -0.969 86.3-108.7-136.3 151.6 57.3 80.3 16.1 39 39 A I S S+ 0 0 22 -2,-0.3 -26,-0.2 1,-0.2 73,-0.1 -0.373 92.3 13.2 -78.9 159.8 58.7 81.2 12.7 40 40 A G > + 0 0 2 -28,-3.0 4,-1.6 1,-0.1 -1,-0.2 0.865 68.1 169.2 42.3 56.1 60.0 78.6 10.2 41 41 A R H > S+ 0 0 51 -3,-0.4 4,-0.6 1,-0.2 -1,-0.1 0.832 76.4 43.7 -64.8 -34.9 58.5 75.6 12.0 42 42 A K H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 3,-0.2 0.797 106.6 60.1 -81.2 -29.9 59.2 73.2 9.1 43 43 A I H 4 S+ 0 0 1 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.908 103.3 53.8 -61.2 -40.6 62.7 74.5 8.5 44 44 A L H < S+ 0 0 71 -4,-1.6 64,-0.3 1,-0.2 -1,-0.2 0.783 113.2 42.8 -64.0 -28.6 63.4 73.5 12.1 45 45 A X H >< S+ 0 0 92 -4,-0.6 3,-0.6 -3,-0.2 4,-0.4 0.742 93.0 105.4 -88.8 -27.8 62.2 70.0 11.3 46 46 A S G ><>S+ 0 0 23 -4,-2.2 3,-2.3 1,-0.2 5,-1.9 0.005 78.2 18.8 -54.6 158.7 63.9 69.6 7.9 47 47 A G G > 5S- 0 0 25 1,-0.3 3,-1.3 3,-0.2 -1,-0.2 0.791 130.4 -66.1 50.1 34.7 67.0 67.5 7.2 48 48 A G G < 5S- 0 0 74 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.727 106.9 -40.9 62.9 22.3 66.4 65.5 10.4 49 49 A G G < 5S+ 0 0 31 -3,-2.3 59,-2.5 -4,-0.4 60,-0.4 0.338 138.6 74.2 107.4 -5.2 67.1 68.6 12.5 50 50 A F T < 5S- 0 0 101 -3,-1.3 54,-1.8 -4,-0.4 -3,-0.2 0.528 95.0-123.0-115.1 -11.2 70.0 69.9 10.5 51 51 A C < - 0 0 0 -5,-1.9 2,-1.9 52,-0.2 53,-0.4 0.961 3.7-136.3 67.2 100.3 68.1 71.3 7.4 52 52 A N + 0 0 14 51,-0.2 332,-0.3 1,-0.2 51,-0.2 -0.603 33.2 178.7 -80.0 81.4 69.0 70.1 3.9 53 53 A F - 0 0 0 -2,-1.9 2,-0.3 49,-0.5 -1,-0.2 0.536 53.0 -23.7 -68.8 -12.3 68.8 73.7 2.5 54 54 A T E -I 102 0C 0 48,-0.7 48,-1.9 330,-0.1 2,-0.3 -0.968 60.2-112.4-177.1-176.4 69.7 73.1 -1.1 55 55 A N E -I 101 0C 2 -2,-0.3 46,-0.2 326,-0.3 3,-0.2 -0.998 17.6-130.4-140.3 142.6 71.4 70.7 -3.5 56 56 A L S S+ 0 0 59 44,-2.0 2,-0.7 -2,-0.3 44,-0.1 0.776 101.6 52.8 -62.8 -28.6 74.5 71.1 -5.7 57 57 A E S S+ 0 0 119 42,-0.2 2,-0.5 23,-0.1 -1,-0.2 -0.786 71.5 162.6-114.0 91.3 72.8 69.8 -8.8 58 58 A V + 0 0 29 -2,-0.7 22,-0.1 -3,-0.2 -2,-0.0 -0.924 3.7 148.3-111.8 127.1 69.6 71.9 -9.3 59 59 A T > - 0 0 47 -2,-0.5 3,-2.1 1,-0.0 -2,-0.0 -0.948 60.3-100.0-147.2 162.0 67.8 72.0 -12.7 60 60 A P G > S+ 0 0 54 0, 0.0 3,-1.4 0, 0.0 11,-0.1 0.765 117.1 69.2 -58.5 -23.0 64.2 72.4 -13.7 61 61 A A G 3 S+ 0 0 69 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.613 84.7 68.9 -71.5 -12.3 64.0 68.6 -14.2 62 62 A H G < S+ 0 0 10 -3,-2.1 316,-2.1 316,-0.1 2,-0.4 0.269 94.0 77.1 -88.1 11.5 64.3 68.1 -10.4 63 63 A Y E < S-K 377 0D 19 -3,-1.4 2,-0.4 314,-0.2 314,-0.3 -0.960 70.8-142.2-126.8 142.5 60.8 69.6 -10.1 64 64 A L E +K 376 0D 30 312,-3.9 312,-2.2 -2,-0.4 2,-0.3 -0.848 36.8 142.4-101.3 135.0 57.3 68.2 -10.8 65 65 A S - 0 0 36 -2,-0.4 310,-0.1 310,-0.2 284,-0.0 -0.972 58.9-125.9-166.5 153.7 54.7 70.4 -12.3 66 66 A Q S S+ 0 0 134 308,-0.3 -1,-0.1 -2,-0.3 309,-0.1 0.767 112.5 55.5 -72.1 -24.7 51.8 70.4 -14.8 67 67 A N > - 0 0 24 307,-0.4 3,-0.9 1,-0.1 4,-0.5 -0.884 67.7-178.5-113.8 97.5 53.8 73.3 -16.4 68 68 A P T 3 S+ 0 0 107 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.771 79.4 57.9 -65.1 -30.5 57.4 72.2 -17.2 69 69 A H T 3 S+ 0 0 129 1,-0.1 4,-0.4 2,-0.1 3,-0.1 0.607 90.5 78.8 -79.8 -10.1 58.5 75.6 -18.5 70 70 A F S X S+ 0 0 3 -3,-0.9 3,-0.8 1,-0.2 4,-0.4 0.965 84.0 49.2 -62.5 -65.6 57.7 77.5 -15.3 71 71 A V T 3> S+ 0 0 7 -4,-0.5 4,-1.8 1,-0.2 5,-0.2 0.718 90.3 80.4 -50.5 -34.2 60.5 76.8 -12.7 72 72 A K H 3> S+ 0 0 120 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.838 88.1 53.0 -45.2 -49.8 63.5 77.7 -15.0 73 73 A S H X> S+ 0 0 36 -3,-0.8 4,-1.8 -4,-0.4 3,-0.6 0.968 112.0 40.1 -56.0 -63.8 63.3 81.5 -14.7 74 74 A A H 3> S+ 0 0 0 281,-0.6 4,-2.0 -4,-0.4 -1,-0.2 0.805 114.4 55.0 -58.3 -33.2 63.3 81.9 -10.9 75 75 A L H 3< S+ 0 0 15 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.816 111.0 44.3 -71.2 -31.3 65.9 79.1 -10.5 76 76 A A H << S+ 0 0 72 -4,-1.6 3,-0.3 -3,-0.6 -2,-0.2 0.761 111.6 54.0 -83.4 -26.3 68.4 80.8 -12.8 77 77 A R H < S+ 0 0 66 -4,-1.8 2,-0.5 1,-0.3 -2,-0.2 0.919 124.6 21.7 -72.6 -47.1 67.8 84.2 -11.3 78 78 A Y S < S- 0 0 20 -4,-2.0 -1,-0.3 -5,-0.2 314,-0.1 -0.908 91.8-164.2-124.6 100.9 68.6 83.1 -7.8 79 79 A T > - 0 0 40 -2,-0.5 4,-1.5 -3,-0.3 3,-0.2 -0.212 36.2-105.9 -85.1 172.2 70.7 80.0 -7.9 80 80 A N H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.844 124.1 51.6 -61.8 -33.2 71.6 77.3 -5.4 81 81 A W H > S+ 0 0 143 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.767 100.9 59.2 -77.1 -25.8 75.1 78.9 -5.4 82 82 A D H > S+ 0 0 69 -3,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.875 115.0 37.9 -68.1 -35.0 73.7 82.3 -4.7 83 83 A F H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.869 112.8 54.2 -81.9 -40.0 72.2 80.8 -1.5 84 84 A I H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.895 112.6 48.1 -59.0 -37.5 75.2 78.5 -0.7 85 85 A S H X S+ 0 0 74 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.870 108.6 51.3 -70.0 -40.2 77.2 81.7 -0.9 86 86 A L H X S+ 0 0 28 -4,-1.3 4,-1.1 2,-0.2 -2,-0.2 0.888 111.6 50.0 -63.9 -38.9 74.8 83.7 1.3 87 87 A V H <>S+ 0 0 0 -4,-2.7 5,-2.1 2,-0.2 -2,-0.2 0.941 113.5 42.4 -64.6 -51.0 75.1 80.9 3.9 88 88 A A H ><5S+ 0 0 49 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.906 115.3 49.3 -63.8 -44.4 78.9 80.7 3.9 89 89 A E H 3<5S+ 0 0 135 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.783 105.5 60.5 -66.1 -25.0 79.3 84.5 3.9 90 90 A Q T 3<5S- 0 0 57 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.390 123.0-106.5 -83.8 3.4 76.8 84.5 6.8 91 91 A G T < 5S+ 0 0 63 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.757 72.3 140.5 79.7 25.5 79.1 82.4 8.8 92 92 A I < - 0 0 12 -5,-2.1 2,-0.4 -6,-0.1 -1,-0.3 -0.859 41.9-142.8-104.7 135.1 77.2 79.1 8.6 93 93 A T + 0 0 84 -2,-0.4 12,-2.5 2,-0.0 13,-0.5 -0.779 26.7 167.1 -97.9 139.0 79.0 75.8 8.2 94 94 A Y E -J 104 0C 72 -2,-0.4 2,-0.3 10,-0.3 10,-0.2 -0.944 15.9-161.6-144.8 165.4 77.6 73.0 6.1 95 95 A H E -J 103 0C 85 8,-1.8 8,-2.5 -2,-0.3 2,-0.6 -0.925 29.0-103.7-143.9 167.1 78.6 69.7 4.5 96 96 A E E -J 102 0C 109 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.841 27.0-176.2 -96.6 123.3 77.4 67.4 1.7 97 97 A K - 0 0 124 4,-2.3 2,-0.3 -2,-0.6 -1,-0.2 0.956 60.2 -50.8 -81.8 -57.9 75.6 64.3 3.0 98 98 A E S > S+ 0 0 77 3,-0.3 3,-2.3 282,-0.1 -1,-0.3 -0.944 114.2 28.4-174.2 156.8 75.0 62.5 -0.3 99 99 A L T 3 S- 0 0 105 1,-0.3 -42,-0.2 -2,-0.3 3,-0.1 0.855 129.9 -57.1 50.6 41.1 73.7 63.1 -3.8 100 100 A G T 3 S+ 0 0 11 1,-0.2 -44,-2.0 -45,-0.1 -1,-0.3 0.396 96.2 150.8 74.7 -4.4 74.5 66.8 -3.7 101 101 A Q E < -I 55 0C 17 -3,-2.3 -4,-2.3 -46,-0.2 2,-0.4 -0.412 31.0-156.6 -64.6 128.8 72.5 67.3 -0.5 102 102 A L E +IJ 54 96C 6 -48,-1.9 -48,-0.7 278,-0.3 -49,-0.5 -0.922 13.6 178.8-111.8 132.3 73.8 70.1 1.7 103 103 A F E - 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