==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 27-MAR-12 4EDA . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR K.H.KIM,K.J.CHO,J.H.LEE,Y.H.PARK,T.G.KHAN,J.Y.LEE,S.H.KANG,I . 895 10 11 10 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 534 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 17.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.8 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 . 1 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 . 74 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 3 0 3 2 2 0 0 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 1 1 RESIDUES PER ALPHA HELIX . 5 4 5 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 13 4 5 0 3 1 0 2 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 . 7 8 2 0 0 0 2 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 D 0 0 41 0, 0.0 436,-0.8 0, 0.0 440,-0.2 0.000 360.0 360.0 360.0 57.9 -31.7 -124.0 -4.6 2 2 A T E -A 436 0A 17 338,-0.7 338,-0.4 434,-0.2 2,-0.3 -0.215 360.0-165.3 -80.0 158.9 -30.8 -120.8 -2.7 3 3 A L E +A 435 0A 2 432,-1.9 432,-1.9 336,-0.2 336,-0.2 -0.950 24.3 179.1-135.8 125.8 -31.4 -117.1 -2.9 4 4 A a - 0 0 11 334,-1.4 334,-0.5 -2,-0.3 2,-0.4 -0.544 20.9-131.8-118.4-179.4 -29.3 -114.8 -0.7 5 5 A I + 0 0 1 427,-0.5 2,-0.2 332,-0.2 332,-0.2 -0.996 35.9 132.4-141.4 134.9 -28.6 -111.2 0.1 6 6 A G E -C 336 0B 0 330,-1.6 330,-1.5 -2,-0.4 2,-0.2 -0.878 31.7-125.5-161.5-172.4 -25.4 -109.2 0.4 7 7 A Y E -C 335 0B 41 318,-0.3 320,-4.3 -2,-0.2 2,-0.3 -0.754 32.4 -67.1-143.6-175.1 -23.6 -106.0 -0.6 8 8 A H B -d 327 0C 30 326,-1.6 2,-0.5 -2,-0.2 320,-0.2 -0.607 25.2-170.2 -87.7 132.6 -20.6 -104.3 -2.3 9 9 A A - 0 0 16 318,-1.0 311,-0.1 -2,-0.3 310,-0.1 -0.951 29.6-142.8-116.1 109.5 -17.0 -104.4 -0.9 10 10 A N - 0 0 32 -2,-0.5 318,-0.0 309,-0.2 18,-0.0 -0.255 23.9-133.2 -81.5 155.1 -15.1 -101.9 -3.0 11 11 A N S S+ 0 0 151 317,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.714 85.6 101.7 -63.4 -20.5 -11.6 -101.8 -4.4 12 12 A S - 0 0 28 15,-0.2 -2,-0.2 1,-0.1 14,-0.0 -0.511 52.9-173.0 -78.4 127.4 -11.7 -98.2 -3.0 13 13 A T + 0 0 110 -2,-0.3 2,-0.1 12,-0.1 -1,-0.1 0.458 33.1 130.9-100.1 -4.4 -9.8 -97.8 0.3 14 14 A D - 0 0 37 13,-0.2 12,-0.9 11,-0.1 2,-0.3 -0.323 43.9-148.8 -66.1 127.7 -10.6 -94.2 1.5 15 15 A T B -E 25 0D 37 10,-0.2 10,-0.2 -2,-0.1 2,-0.2 -0.656 14.7-174.3 -99.4 147.6 -11.7 -94.1 5.1 16 16 A V - 0 0 2 8,-1.8 2,-0.3 -2,-0.3 298,-0.1 -0.607 22.2-101.1-125.4-172.9 -14.1 -91.6 6.7 17 17 A D + 0 0 39 296,-0.7 2,-0.3 -2,-0.2 5,-0.2 -0.907 27.2 178.8-123.0 146.9 -15.4 -90.8 10.2 18 18 A T - 0 0 5 3,-2.1 381,-0.1 -2,-0.3 380,-0.1 -0.855 40.6-104.5-131.5 168.0 -18.5 -91.5 12.3 19 19 A V S S+ 0 0 84 379,-0.8 -1,-0.2 -2,-0.3 380,-0.1 0.990 118.6 31.4 -51.5 -70.6 -19.8 -90.8 15.8 20 20 A L S S+ 0 0 144 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.707 131.1 30.4 -70.5 -24.8 -19.3 -94.2 17.2 21 21 A E - 0 0 115 1,-0.1 -3,-2.1 3,-0.0 -1,-0.2 -0.987 57.1-179.1-140.7 130.9 -16.3 -95.2 15.1 22 22 A K S S+ 0 0 126 -2,-0.4 -1,-0.1 -5,-0.2 -2,-0.1 0.953 77.7 48.2 -90.4 -63.0 -13.6 -92.9 13.7 23 23 A N S S+ 0 0 137 -6,-0.1 -1,-0.1 -8,-0.1 -6,-0.1 0.644 79.2 147.5 -54.6 -17.1 -11.1 -94.9 11.7 24 24 A V - 0 0 25 -9,-0.1 -8,-1.8 1,-0.1 2,-0.3 0.256 40.7-139.1 -48.3 135.5 -13.7 -96.7 9.7 25 25 A T B -E 15 0D 66 -10,-0.2 295,-0.5 295,-0.1 2,-0.2 -0.657 23.2-172.7 -88.4 142.4 -13.1 -97.7 6.1 26 26 A V B -F 319 0E 0 -12,-0.9 293,-0.3 -2,-0.3 292,-0.1 -0.777 34.6-125.3-129.7 175.2 -15.8 -97.4 3.5 27 27 A T S S+ 0 0 0 291,-2.8 2,-0.3 1,-0.3 -13,-0.2 0.842 95.0 17.1 -83.2 -41.5 -16.5 -98.2 -0.1 28 28 A H + 0 0 56 290,-0.6 289,-0.9 289,-0.2 -1,-0.3 -0.971 66.0 148.9-138.2 149.5 -17.3 -94.7 -1.1 29 29 A S - 0 0 25 -2,-0.3 2,-0.3 286,-0.3 286,-0.2 -0.888 30.2-130.2-154.8-179.2 -16.8 -91.2 0.2 30 30 A V E -G 314 0F 47 284,-0.6 284,-2.5 -2,-0.3 2,-0.5 -0.975 13.1-146.3-141.2 144.1 -16.3 -87.6 -0.9 31 31 A N E -G 313 0F 45 -2,-0.3 282,-0.2 282,-0.2 -2,-0.0 -0.953 8.2-171.0-111.5 125.7 -13.6 -85.2 0.3 32 32 A L + 0 0 20 280,-1.6 260,-1.0 -2,-0.5 2,-0.2 0.454 67.3 72.3 -95.0 -2.2 -14.5 -81.5 0.5 33 33 A L S S- 0 0 4 279,-0.6 2,-0.4 258,-0.1 260,-0.2 -0.484 71.9-138.4 -97.8 175.3 -11.0 -80.3 1.2 34 34 A E + 0 0 33 -2,-0.2 260,-0.8 1,-0.1 261,-0.6 -0.938 23.8 169.2-134.8 114.0 -8.1 -80.1 -1.2 35 35 A D + 0 0 72 -2,-0.4 2,-0.2 258,-0.1 -1,-0.1 0.742 58.2 84.1 -83.0 -28.4 -4.8 -81.2 0.2 36 36 A K + 0 0 145 251,-0.1 2,-0.3 2,-0.0 251,-0.1 -0.537 45.8 159.9-100.3 144.7 -3.1 -81.2 -3.1 37 37 A H - 0 0 68 -2,-0.2 249,-0.2 249,-0.1 -2,-0.0 -0.921 52.5-102.1-148.7 166.4 -1.5 -78.5 -5.1 38 38 A N - 0 0 77 247,-1.2 3,-0.1 -2,-0.3 248,-0.1 0.438 48.3-127.9 -79.1 1.2 1.0 -78.3 -8.0 39 39 A G S S+ 0 0 34 246,-0.3 2,-0.3 1,-0.2 245,-0.2 0.790 75.5 99.6 59.4 28.9 3.7 -77.3 -5.5 40 40 A K S S- 0 0 58 230,-0.1 2,-0.5 245,-0.1 241,-0.3 -0.903 73.2-125.2-138.4 164.9 4.5 -74.3 -7.7 41 41 A L E -h 272 0G 1 230,-2.0 232,-1.5 -2,-0.3 234,-0.2 -0.977 43.3-173.8-113.7 121.1 3.9 -70.6 -8.0 42 42 A b E - 0 0 0 -2,-0.5 2,-0.4 230,-0.2 234,-0.2 -0.433 34.8 -83.8-113.9 174.7 2.4 -69.8 -11.4 43 43 A K E -h 276 0G 51 232,-2.1 234,-2.0 230,-0.2 2,-0.8 -0.669 48.7-130.3 -69.6 131.4 1.4 -67.1 -13.7 44 44 A L E > S-hI 277 47G 12 3,-2.6 3,-1.9 -2,-0.4 234,-0.2 -0.827 81.6 -23.7 -89.0 115.5 -2.1 -66.2 -12.6 45 45 A R T 3 S- 0 0 137 232,-1.9 -1,-0.3 -2,-0.8 231,-0.1 0.946 130.8 -44.3 42.2 65.1 -4.2 -66.3 -15.7 46 46 A G T 3 S+ 0 0 42 -3,-0.5 2,-0.5 1,-0.1 -1,-0.3 0.323 118.3 105.6 73.6 -9.9 -1.3 -65.6 -18.0 47 47 A V B < -I 44 0G 55 -3,-1.9 -3,-2.6 29,-0.0 -1,-0.1 -0.914 64.0-136.2-107.1 131.1 0.3 -62.9 -15.9 48 48 A A - 0 0 44 -2,-0.5 29,-1.9 -5,-0.3 -5,-0.2 -0.524 17.9-123.2 -80.2 145.2 3.4 -63.6 -13.9 49 49 A P - 0 0 15 0, 0.0 2,-0.4 0, 0.0 30,-0.2 -0.202 31.4-103.2 -71.7 178.2 3.8 -62.4 -10.3 50 50 A L E -j 79 0H 10 28,-2.7 30,-3.1 56,-0.2 2,-0.5 -0.902 33.3-157.7-105.3 138.9 6.7 -60.2 -9.3 51 51 A H E -j 80 0H 57 -2,-0.4 2,-0.7 28,-0.2 30,-0.2 -0.958 13.0-175.4-125.2 118.3 9.6 -61.9 -7.5 52 52 A L E -j 81 0H 0 28,-1.9 30,-0.8 -2,-0.5 33,-0.1 -0.936 11.4-170.8-112.1 107.8 12.0 -60.0 -5.3 53 53 A G S S+ 0 0 25 -2,-0.7 29,-0.5 1,-0.2 -1,-0.2 0.992 76.2 8.3 -70.4 -64.5 14.6 -62.5 -4.1 54 54 A K S S+ 0 0 100 12,-0.2 33,-2.8 31,-0.2 32,-0.6 0.431 120.6 78.3 -98.3 -1.7 16.8 -61.1 -1.5 55 55 A c B -l 87 0I 0 31,-0.2 27,-0.3 30,-0.2 2,-0.2 -0.780 66.2-146.9-108.7 149.0 14.8 -58.0 -1.2 56 56 A N >> - 0 0 35 31,-1.7 4,-2.2 -2,-0.3 3,-0.5 -0.633 46.1 -88.5 -98.9 174.3 11.5 -57.3 0.6 57 57 A I H 3> S+ 0 0 0 1,-0.2 4,-3.3 -2,-0.2 5,-0.3 0.846 123.7 55.1 -55.7 -40.1 9.1 -54.8 -0.9 58 58 A A H 3> S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.906 109.9 42.9 -57.9 -49.1 10.6 -51.8 0.9 59 59 A G H <>>S+ 0 0 0 28,-0.6 5,-3.8 -3,-0.5 4,-1.6 0.922 116.3 50.9 -69.1 -42.2 14.2 -52.2 -0.3 60 60 A W H ><5S+ 0 0 35 -4,-2.2 3,-0.7 27,-0.3 -2,-0.2 0.986 115.6 38.5 -53.5 -63.9 12.9 -52.9 -3.7 61 61 A I H 3<5S+ 0 0 0 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.886 118.0 50.1 -60.9 -40.4 10.6 -49.9 -4.0 62 62 A L H 3<5S- 0 0 3 -4,-2.9 85,-1.6 -5,-0.3 86,-0.3 0.770 115.7-118.4 -65.6 -23.8 13.2 -47.7 -2.2 63 63 A G T <<5 - 0 0 10 -4,-1.6 83,-2.9 -3,-0.7 -3,-0.2 0.903 35.1-166.1 79.5 44.0 15.8 -48.9 -4.6 64 64 A N > < - 0 0 4 -5,-3.8 3,-1.9 81,-0.3 -1,-0.1 -0.444 26.9-124.0 -52.7 134.9 18.1 -50.6 -2.1 65 65 A P G > S+ 0 0 11 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.693 110.8 64.7 -64.0 -21.1 21.3 -51.2 -4.0 66 66 A E G 3 S+ 0 0 57 1,-0.3 4,-0.2 2,-0.1 3,-0.2 0.647 101.9 53.2 -72.1 -15.1 21.1 -54.9 -3.2 67 67 A c G < S+ 0 0 11 -3,-1.9 -1,-0.3 -8,-0.2 4,-0.2 0.267 77.6 112.1 -95.0 7.0 18.0 -54.8 -5.3 68 68 A E S < S+ 0 0 133 -3,-1.4 -1,-0.1 1,-0.1 -2,-0.1 0.924 84.9 27.4 -51.2 -55.3 19.9 -53.2 -8.2 69 69 A S S S+ 0 0 92 -4,-0.3 -2,-0.1 -3,-0.2 -1,-0.1 0.997 87.8 111.6 -74.5 -73.0 19.6 -56.2 -10.6 70 70 A L S S- 0 0 51 -4,-0.2 2,-0.2 2,-0.0 -2,-0.1 -0.055 76.6 -75.9 44.2-126.3 16.4 -58.0 -9.6 71 71 A S - 0 0 61 -4,-0.2 2,-0.3 2,-0.0 -21,-0.0 -0.752 37.2-151.1-146.3-168.9 13.8 -57.7 -12.3 72 72 A T + 0 0 127 -2,-0.2 2,-0.3 3,-0.1 3,-0.1 -0.943 15.2 161.7-158.9 179.5 11.2 -55.3 -13.7 73 73 A A - 0 0 37 -2,-0.3 3,-0.1 38,-0.2 -2,-0.0 -0.906 43.5-126.4 175.6 166.2 7.9 -55.1 -15.5 74 74 A S S S+ 0 0 66 -2,-0.3 2,-0.3 1,-0.2 37,-0.3 0.473 98.5 26.1 -94.3 -12.0 5.0 -52.9 -16.4 75 75 A S + 0 0 41 35,-0.2 2,-0.3 36,-0.1 34,-0.2 -0.990 56.7 176.8-152.8 147.0 2.7 -55.5 -14.8 76 76 A W B -M 108 0J 3 32,-1.7 32,-1.7 -2,-0.3 -26,-0.1 -0.953 26.8-142.1-154.9 146.9 2.5 -58.4 -12.3 77 77 A S S S- 0 0 10 -29,-1.9 2,-0.2 -2,-0.3 186,-0.2 0.973 82.7 -27.7 -69.5 -53.9 -0.3 -60.7 -11.1 78 78 A Y - 0 0 0 29,-0.1 -28,-2.7 185,-0.1 2,-0.4 -0.738 68.4 -99.5-143.9-169.4 0.9 -60.7 -7.5 79 79 A I E -jk 50 265H 0 185,-1.3 187,-3.0 -30,-0.2 2,-0.4 -0.985 24.5-169.2-127.3 138.0 4.0 -60.3 -5.5 80 80 A V E +jk 51 266H 0 -30,-3.1 -28,-1.9 -2,-0.4 2,-0.4 -0.987 4.9 179.3-124.5 130.6 6.2 -62.9 -3.9 81 81 A E E -jk 52 267H 11 185,-1.9 187,-0.8 -2,-0.4 -28,-0.1 -0.990 25.6-123.3-127.2 144.4 9.0 -62.3 -1.4 82 82 A T > - 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