==== 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 VIRAL PROTEIN 12-DEC-03 1RUZ . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS (A/SOUTH CAROLINA/1/ . AUTHOR J.J.SKEHEL,S.J.GAMBLIN,L.F.HAIRE,R.J.RUSSELL,D.J.STEVENS,B.X . 1452 6 15 12 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60334.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 930 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 292 20.1 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 27 1.9 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 . 6 0.4 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 . 126 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 266 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.0 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 0 3 3 6 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 12 6 9 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 . 22 12 25 6 0 3 3 0 3 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 . 10 15 6 0 0 0 3 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 5 H D 0 0 36 0, 0.0 464,-2.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 129.9 -16.9 136.1 16.9 2 6 H T E -AB 352 464A 20 350,-1.0 350,-2.2 462,-0.2 2,-0.3 -0.821 360.0-154.2-140.4 177.4 -13.5 134.7 18.1 3 7 H I E - B 0 463A 0 460,-1.7 460,-3.0 348,-0.3 2,-0.3 -0.949 11.9-158.0-157.7 136.9 -11.9 131.5 19.6 4 8 H a E - B 0 462A 14 -2,-0.3 346,-2.1 458,-0.2 2,-0.5 -0.929 10.8-142.2-125.8 149.7 -8.8 131.1 21.7 5 9 H I E +D 349 0B 1 456,-2.0 2,-0.2 -2,-0.3 344,-0.2 -0.921 39.1 144.6-107.3 126.3 -6.4 128.3 22.4 6 10 H G E -D 348 0B 0 342,-2.5 342,-2.3 -2,-0.5 2,-0.4 -0.814 37.2-111.1-146.7-172.1 -5.1 128.0 26.0 7 11 H Y E -D 347 0B 0 330,-0.4 332,-1.9 -2,-0.2 340,-0.3 -0.983 33.6 -95.2-137.1 145.0 -3.9 125.8 28.9 8 12 H H B +f 339 0C 18 338,-3.4 313,-0.3 -2,-0.4 2,-0.3 0.156 42.7 169.5 -45.9 164.3 -5.1 124.9 32.4 9 13 H A + 0 0 0 330,-0.6 2,-0.3 333,-0.5 311,-0.1 -0.948 1.5 163.3-173.0 158.5 -3.9 126.7 35.5 10 14 H N - 0 0 30 -2,-0.3 330,-0.1 2,-0.1 328,-0.1 -0.915 50.7 -72.3-164.1-167.1 -4.7 126.9 39.2 11 15 H N S S+ 0 0 146 -2,-0.3 16,-0.0 329,-0.1 309,-0.0 0.387 71.6 136.8 -85.2 0.4 -3.9 127.8 42.8 12 16 H S - 0 0 23 1,-0.1 -2,-0.1 15,-0.1 16,-0.1 -0.165 34.2-170.6 -50.5 142.7 -1.4 125.0 43.3 13 17 H T + 0 0 121 14,-0.1 -1,-0.1 12,-0.1 2,-0.1 0.243 40.2 126.6-120.4 8.5 1.7 126.1 45.1 14 18 H D - 0 0 62 12,-0.3 12,-1.9 13,-0.1 2,-0.4 -0.448 42.6-158.9 -68.6 138.8 3.8 122.9 44.6 15 19 H T E -G 25 0D 29 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.954 11.4-173.6-125.9 145.4 7.3 123.5 43.1 16 20 H V E -G 24 0D 0 8,-2.3 8,-2.7 -2,-0.4 2,-0.3 -0.758 20.4-122.7-123.7 170.2 9.8 121.3 41.3 17 21 H D - 0 0 47 296,-0.5 2,-0.3 -2,-0.3 5,-0.2 -0.861 20.8-172.6-117.4 155.1 13.3 121.9 40.1 18 22 H T - 0 0 3 3,-2.3 409,-0.1 -2,-0.3 408,-0.1 -0.873 39.9-106.7-135.2 169.2 14.8 121.6 36.6 19 23 H V S S+ 0 0 9 407,-0.7 846,-0.3 -2,-0.3 845,-0.1 0.864 120.6 39.9 -67.0 -33.2 18.4 121.8 35.3 20 24 H L S S+ 0 0 31 1,-0.2 2,-0.3 841,-0.1 841,-0.3 0.742 126.5 17.5 -88.0 -25.1 17.7 125.3 33.8 21 25 H E - 0 0 83 840,-0.1 -3,-2.3 841,-0.0 3,-0.2 -0.998 64.9-140.3-151.4 144.8 15.6 126.8 36.6 22 26 H K S S+ 0 0 94 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.619 75.5 18.9-101.5 162.4 14.8 126.2 40.3 23 27 H N S S+ 0 0 112 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.911 71.0 172.4 47.6 62.0 11.6 126.5 42.2 24 28 H V E -G 16 0D 5 -8,-2.7 -8,-2.3 -3,-0.2 2,-0.4 -0.873 28.2-132.7-102.4 127.3 9.1 126.4 39.4 25 29 H T E -G 15 0D 49 -2,-0.5 295,-2.5 -10,-0.2 2,-0.3 -0.622 27.7-172.9 -79.9 133.0 5.4 126.1 40.3 26 30 H V B -H 319 0E 0 -12,-1.9 -12,-0.3 -2,-0.4 293,-0.2 -0.801 32.6-125.0-122.1 165.1 3.4 123.5 38.5 27 31 H T S S+ 0 0 6 291,-2.3 2,-0.3 -2,-0.3 -13,-0.1 0.850 92.8 10.1 -76.5 -36.0 -0.2 122.6 38.3 28 32 H H + 0 0 76 290,-0.2 289,-2.5 -16,-0.1 288,-2.3 -0.993 67.8 150.9-145.5 150.0 0.2 118.9 39.3 29 33 H S E -I 315 0F 22 -2,-0.3 2,-0.3 286,-0.3 286,-0.2 -0.974 28.7-130.1-167.6 166.9 3.1 116.7 40.6 30 34 H V E -I 314 0F 52 284,-2.1 284,-2.4 -2,-0.3 2,-0.4 -0.954 18.1-129.0-130.0 149.1 3.8 113.6 42.7 31 35 H N E -I 313 0F 60 -2,-0.3 282,-0.2 282,-0.2 3,-0.0 -0.818 17.6-176.1 -96.4 135.1 6.3 113.1 45.5 32 36 H L + 0 0 4 280,-2.7 260,-1.7 -2,-0.4 2,-0.6 0.495 59.0 87.9-106.6 -4.3 8.6 110.1 45.2 33 37 H L E -j 292 0G 6 279,-0.5 2,-0.4 258,-0.1 260,-0.2 -0.840 60.3-156.8-106.8 111.8 10.2 110.5 48.5 34 38 H E E +j 293 0G 35 258,-2.9 260,-1.6 -2,-0.6 261,-0.2 -0.674 24.1 158.3 -84.4 127.6 8.8 108.8 51.7 35 39 H D + 0 0 99 -2,-0.4 2,-0.4 258,-0.2 -1,-0.1 0.217 42.3 91.2-134.7 18.5 9.9 110.4 54.9 36 40 H S - 0 0 73 251,-0.0 251,-0.3 2,-0.0 2,-0.3 -0.899 48.7-178.4-119.2 146.3 7.3 109.4 57.5 37 41 H H - 0 0 90 -2,-0.4 249,-0.2 249,-0.1 247,-0.0 -0.927 38.8-111.9-145.3 169.8 7.1 106.5 59.9 38 42 H N - 0 0 61 247,-3.2 246,-0.1 -2,-0.3 248,-0.1 0.787 36.2-143.4 -60.5 -43.7 5.3 104.5 62.5 39 44 H G + 0 0 28 1,-0.2 2,-0.3 246,-0.2 245,-0.2 0.502 69.3 93.7 82.3 6.6 7.7 105.2 65.4 40 45 H K S S- 0 0 69 230,-0.1 2,-0.8 245,-0.1 245,-0.8 -0.961 78.9-119.5-136.1 149.2 7.2 101.6 66.6 41 46 H L E -l 272 0H 1 230,-2.4 232,-1.9 -2,-0.3 234,-0.2 -0.774 48.5-177.5 -86.6 111.6 8.7 98.1 66.2 42 47 H b E - 0 0 0 -2,-0.8 2,-0.3 230,-0.2 234,-0.2 -0.297 27.0 -84.7-105.1-174.5 6.0 96.0 64.7 43 48 H K E -l 276 0H 56 232,-3.8 234,-2.8 5,-0.1 2,-0.6 -0.633 29.1-146.0 -91.5 149.0 5.2 92.5 63.5 44 49 H L E > S-lM 277 47H 21 3,-1.9 3,-0.8 -2,-0.3 234,-0.1 -0.960 80.8 -15.9-119.5 112.3 6.2 91.2 60.1 45 49AH K T 3 S- 0 0 181 232,-0.7 2,-1.0 -2,-0.6 -1,-0.2 0.922 126.4 -55.9 61.3 45.4 3.7 88.7 58.6 46 50 H G T 3 S+ 0 0 45 1,-0.2 -1,-0.3 231,-0.1 2,-0.1 -0.202 114.3 107.6 85.6 -46.5 2.0 88.1 61.9 47 51 H I B < -M 44 0H 75 -2,-1.0 -3,-1.9 -3,-0.8 -1,-0.2 -0.397 62.9-135.5 -69.6 142.3 5.0 87.1 63.9 48 52 H A - 0 0 38 -5,-0.2 29,-1.0 27,-0.1 30,-0.3 -0.530 21.8-102.2 -94.6 163.3 6.4 89.5 66.5 49 53 H P - 0 0 18 0, 0.0 2,-0.6 0, 0.0 30,-0.2 -0.188 30.4-113.8 -75.7 175.4 10.0 90.4 67.0 50 54 H L E -n 79 0I 14 28,-2.0 30,-2.5 23,-0.0 2,-0.3 -0.927 26.1-155.1-115.9 106.0 12.2 89.1 69.9 51 55 H Q E -n 80 0I 96 -2,-0.6 30,-0.2 28,-0.2 3,-0.1 -0.597 15.4-176.8 -79.9 141.0 13.3 91.8 72.4 52 56 H L E > + 0 0 0 28,-1.9 3,-3.6 -2,-0.3 -1,-0.1 0.508 20.6 176.0-108.8 -12.6 16.5 91.1 74.3 53 57 H G E 3 S+n 81 0I 16 27,-0.5 29,-0.6 1,-0.3 31,-0.3 -0.216 73.7 6.9 49.0-111.4 16.1 94.2 76.3 54 58 H K T 3 S+ 0 0 84 31,-0.2 33,-2.2 12,-0.1 32,-0.8 0.551 125.5 78.4 -77.2 -7.1 18.8 94.2 78.9 55 59 H c B < -p 87 0J 0 -3,-3.6 27,-0.4 30,-0.2 2,-0.2 -0.527 63.6-151.7-102.3 166.2 20.4 91.2 77.2 56 60 H N > - 0 0 28 31,-1.4 4,-2.5 -2,-0.2 5,-0.2 -0.766 42.7 -86.7-126.0 175.2 22.5 90.6 74.1 57 61 H I H > S+ 0 0 0 -2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.887 127.5 51.9 -50.4 -44.1 22.9 87.7 71.8 58 62 H A H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.957 111.3 45.6 -58.9 -53.1 25.6 86.2 74.0 59 63 H G H >>S+ 0 0 0 28,-0.2 4,-2.9 2,-0.2 5,-1.6 0.969 113.1 50.4 -54.1 -57.4 23.5 86.4 77.1 60 64 H W H <5S+ 0 0 15 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.929 116.8 37.5 -46.5 -61.4 20.4 85.0 75.5 61 65 H L H <5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.897 118.5 48.6 -63.2 -43.0 22.1 81.9 73.9 62 66 H L H <5S- 0 0 0 -4,-2.7 85,-1.1 -5,-0.3 86,-0.4 0.830 110.5-120.3 -67.2 -32.7 24.4 81.2 76.8 63 67 H G T <5 - 0 0 2 -4,-2.9 83,-1.4 -5,-0.3 -3,-0.2 0.703 34.3-167.5 99.3 23.2 21.6 81.5 79.3 64 68 H N > < - 0 0 9 -5,-1.6 3,-1.8 -6,-0.3 -1,-0.1 -0.120 30.4-114.1 -43.6 139.6 22.8 84.3 81.5 65 69 H P G > S+ 0 0 2 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.860 111.8 55.3 -43.8 -55.2 20.7 84.6 84.7 66 70 H E G 3 S+ 0 0 116 1,-0.3 3,-0.4 2,-0.1 2,-0.1 0.610 97.3 68.8 -60.8 -13.3 19.2 88.0 84.0 67 71 H c G < + 0 0 5 -3,-1.8 4,-0.4 1,-0.2 -1,-0.3 -0.235 56.4 122.0-103.4 45.8 17.8 86.7 80.7 68 72 H D X + 0 0 45 -3,-0.6 3,-1.0 1,-0.2 4,-0.4 0.798 63.6 68.9 -75.5 -28.1 15.2 84.3 82.0 69 73 H L G > S+ 0 0 134 -3,-0.4 3,-1.0 1,-0.3 4,-0.2 0.907 97.5 52.9 -54.2 -43.2 12.4 86.0 80.2 70 74 H L G > S+ 0 0 13 1,-0.2 3,-1.7 -3,-0.2 -1,-0.3 0.697 83.0 91.0 -67.9 -21.1 13.8 84.9 76.9 71 75 H L G < S+ 0 0 63 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.782 86.9 49.1 -45.2 -35.7 13.9 81.2 78.0 72 76 H T G < S+ 0 0 127 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.1 0.663 86.0 109.4 -83.1 -18.8 10.5 80.6 76.6 73 77 H A < + 0 0 32 -3,-1.7 3,-0.1 -4,-0.2 -23,-0.0 -0.216 26.4 156.9 -62.0 147.5 11.0 82.1 73.2 74 78 H S + 0 0 63 1,-0.4 37,-1.9 38,-0.1 2,-0.3 0.482 60.8 31.5-143.5 -23.2 11.1 79.9 70.0 75 79 H S B +Q 110 0K 72 35,-0.2 -1,-0.4 -26,-0.1 2,-0.3 -0.998 55.9 158.8-144.6 149.4 10.2 82.0 67.0 76 80 H W - 0 0 8 33,-1.9 3,-0.1 -2,-0.3 -29,-0.1 -0.953 40.2-131.6-157.7 169.3 10.5 85.6 65.9 77 81 H S S S- 0 0 17 -29,-1.0 2,-0.3 1,-0.4 187,-0.2 0.648 92.4 -10.3-101.0 -22.7 10.6 87.8 62.8 78 82 H Y S S- 0 0 0 -30,-0.3 -28,-2.0 185,-0.2 -1,-0.4 -0.873 70.8-113.4-174.5 142.5 13.7 89.7 63.7 79 83 H I E -no 50 265I 1 185,-1.5 187,-2.0 -2,-0.3 2,-0.5 -0.623 27.4-155.0 -86.5 142.1 15.9 90.0 66.8 80 84 H V E -no 51 266I 0 -30,-2.5 -28,-1.9 -2,-0.3 -27,-0.5 -0.936 12.1-178.5-127.1 116.3 16.2 93.3 68.7 81 85 H E E -no 53 267I 19 185,-2.6 187,-2.3 -2,-0.5 2,-0.2 -0.660 15.0-155.3-101.0 161.1 19.0 94.7 70.9 82 86 H T > - 0 0 26 -29,-0.6 3,-1.1 -27,-0.4 187,-0.1 -0.643 36.7 -86.5-126.9-175.5 18.9 98.0 72.7 83 87 H S T 3 S+ 0 0 79 1,-0.3 -29,-0.1 -2,-0.2 186,-0.1 0.610 126.8 44.9 -68.1 -13.0 21.2 100.7 74.1 84 88 H N T 3 S+ 0 0 98 -31,-0.3 2,-1.2 -29,-0.1 -1,-0.3 -0.266 70.3 129.2-126.1 44.1 21.4 98.7 77.4 85 89 H S < + 0 0 18 -3,-1.1 -30,-0.2 1,-0.2 -31,-0.2 -0.622 27.8 125.6 -98.1 71.8 21.9 95.2 76.0 86 90 H E + 0 0 138 -2,-1.2 2,-1.2 -32,-0.8 -31,-0.2 0.356 32.9 103.6-111.4 4.0 24.9 94.5 78.3 87 91 H N B +p 55 0J 39 -33,-2.2 -31,-1.4 -3,-0.2 -28,-0.2 -0.731 52.5 95.5 -92.6 96.6 23.9 91.3 80.0 88 92 H G S S+ 0 0 3 -2,-1.2 2,-1.3 -33,-0.2 3,-0.2 0.141 75.4 28.3-138.4-100.6 25.8 88.6 78.2 89 93 H T + 0 0 50 1,-0.2 -1,-0.1 -25,-0.1 4,-0.1 -0.627 60.4 174.1 -76.6 97.1 29.1 87.0 79.4 90 94 H d + 0 0 7 -2,-1.3 -1,-0.2 1,-0.1 47,-0.1 0.852 67.4 59.8 -74.5 -35.6 28.8 87.5 83.1 91 95 H Y S S- 0 0 5 -3,-0.2 -1,-0.1 1,-0.1 136,-0.1 -0.864 104.2-106.9 -96.7 116.0 32.0 85.6 83.9 92 96 H P + 0 0 11 0, 0.0 135,-0.8 0, 0.0 2,-0.3 0.092 69.7 91.4 -40.6 143.9 34.9 87.3 82.1 93 97 H G - 0 0 24 133,-0.3 2,-0.3 597,-0.1 135,-0.2 -0.988 68.0 -61.4 161.1-162.0 36.5 85.7 79.1 94 98 H D - 0 0 82 -2,-0.3 135,-3.2 133,-0.3 2,-0.7 -0.924 21.4-148.7-123.3 146.8 36.3 85.4 75.3 95 99 H F B > -r 229 0K 28 -2,-0.3 3,-1.3 133,-0.2 135,-0.2 -0.821 28.5-140.2-114.5 88.3 33.6 84.4 72.9 96 100 H I T 3 S- 0 0 33 133,-1.4 135,-0.1 -2,-0.7 -2,-0.0 -0.215 80.0 -1.9 -51.5 130.7 35.5 82.9 69.9 97 101 H D T 3> S+ 0 0 65 3,-0.1 4,-1.2 1,-0.1 -1,-0.3 0.868 82.1 155.9 52.2 44.5 34.0 83.8 66.5 98 102 H Y H <> + 0 0 34 -3,-1.3 4,-2.1 2,-0.2 3,-0.5 0.934 68.2 51.6 -64.2 -48.8 31.1 85.8 68.2 99 103 H E H > S+ 0 0 33 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.870 108.1 52.4 -57.4 -40.9 30.5 88.0 65.2 100 104 H E H > S+ 0 0 4 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.822 106.3 54.4 -66.5 -29.4 30.2 85.0 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