==== 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 09-NOV-07 2VGA . COMPND 2 MOLECULE: PROTEIN A41; . SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS; . AUTHOR M.W.BAHAR,J.C.KENYON,M.M.PUTZ,N.G.A.ABRESCIA,J.E.PEASE,E.L.W . 194 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10397.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 36.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 . 20 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 1 2 0 1 2 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 6 A a 0 0 39 0, 0.0 2,-0.7 0, 0.0 164,-0.3 0.000 360.0 360.0 360.0 33.7 22.6 21.2 10.2 2 7 A D - 0 0 127 5,-0.0 4,-0.2 0, 0.0 5,-0.0 -0.829 360.0-112.2-120.9 84.1 24.8 20.2 7.3 3 8 A S + 0 0 68 -2,-0.7 4,-0.1 2,-0.2 0, 0.0 0.160 53.5 158.9 -36.6 93.1 23.1 16.9 6.2 4 9 A D S S- 0 0 101 2,-0.2 -1,-0.2 0, 0.0 84,-0.1 0.786 92.5 -89.6 -61.2 -35.1 25.8 14.5 7.1 5 10 A N S S+ 0 0 85 82,-0.1 84,-0.9 1,-0.0 2,-0.3 -0.113 100.4 137.6 -92.0 96.3 23.0 13.2 6.8 6 11 A K E -A 88 0A 75 -4,-0.2 2,-0.4 82,-0.2 82,-0.2 -0.790 38.7-153.3 -99.2 144.8 22.6 14.0 10.5 7 12 A E E -A 87 0A 6 80,-3.5 80,-2.0 -2,-0.3 2,-0.5 -0.930 3.8-152.0-112.0 145.2 19.4 15.4 12.0 8 13 A Y E +A 86 0A 25 -2,-0.4 152,-2.7 78,-0.2 153,-0.7 -0.989 20.7 178.0-121.6 120.1 19.3 17.5 15.1 9 14 A M E -B 159 0B 2 76,-1.4 2,-0.3 -2,-0.5 150,-0.2 -0.839 16.1-152.3-120.5 156.2 16.1 17.4 17.2 10 15 A G E -B 158 0B 0 148,-2.9 148,-1.8 -2,-0.3 2,-0.3 -0.825 10.9-159.9-121.3 166.6 14.9 18.9 20.5 11 16 A I E -B 157 0B 0 -2,-0.3 64,-1.5 146,-0.2 2,-0.4 -0.994 11.8-172.7-150.2 137.7 12.4 17.7 23.0 12 17 A E E -BC 156 74B 64 144,-2.6 144,-2.4 -2,-0.3 2,-0.4 -0.999 6.7-173.8-128.0 129.8 10.2 19.0 25.7 13 18 A V E -BC 155 73B 0 60,-2.9 60,-3.2 -2,-0.4 2,-0.4 -0.997 5.6-166.7-121.5 127.0 8.2 16.8 28.0 14 19 A Y E -BC 154 72B 7 140,-3.1 140,-1.9 -2,-0.4 2,-0.4 -0.928 5.1-176.4-112.1 131.5 5.8 18.3 30.5 15 20 A V E -BC 153 71B 0 56,-2.6 56,-2.5 -2,-0.4 2,-0.4 -0.998 2.9-178.4-128.1 127.2 4.2 16.4 33.4 16 21 A E E +BC 152 70B 19 136,-3.1 136,-2.7 -2,-0.4 2,-0.4 -0.997 7.7 179.8-121.6 127.9 1.6 17.9 35.8 17 22 A A E -BC 151 69B 0 52,-2.8 52,-2.9 -2,-0.4 2,-0.5 -0.974 16.7-155.0-137.1 121.1 0.2 15.8 38.7 18 23 A T E -BC 150 68B 16 132,-2.3 131,-3.0 -2,-0.4 132,-1.4 -0.843 19.9-151.9 -94.6 125.2 -2.3 16.7 41.3 19 24 A L E -B 148 0B 6 48,-3.2 129,-0.2 -2,-0.5 4,-0.1 -0.398 23.6-111.6 -96.1 172.3 -1.9 14.6 44.5 20 25 A D S S+ 0 0 80 127,-2.0 128,-0.1 -2,-0.1 -1,-0.1 0.464 98.8 37.7 -92.4 -0.9 -4.6 13.7 47.0 21 26 A E S S- 0 0 84 126,-0.2 -2,-0.2 46,-0.2 3,-0.1 -0.935 100.8 -84.9-134.3 163.4 -3.2 15.8 49.8 22 27 A P - 0 0 83 0, 0.0 45,-0.3 0, 0.0 -2,-0.1 -0.358 62.9 -89.0 -65.1 154.3 -1.6 19.2 49.9 23 28 A L - 0 0 4 43,-2.4 93,-2.7 92,-0.1 2,-0.3 -0.292 31.6-137.1 -73.5 146.5 2.1 19.1 49.1 24 29 A R B -G 115 0C 32 18,-0.4 2,-0.5 91,-0.3 91,-0.3 -0.710 31.0-102.6 -93.2 148.5 4.9 18.6 51.7 25 30 A Q + 0 0 96 89,-2.7 2,-0.3 -2,-0.3 89,-0.1 -0.648 54.9 166.8 -71.2 117.5 8.1 20.7 51.5 26 31 A T - 0 0 49 -2,-0.5 2,-0.5 87,-0.1 -3,-0.0 -0.817 40.9-106.2-127.6 167.0 10.8 18.4 50.0 27 32 A T - 0 0 116 -2,-0.3 2,-0.3 14,-0.0 13,-0.0 -0.863 40.8-125.3 -93.5 129.1 14.3 18.7 48.6 28 33 A b + 0 0 34 -2,-0.5 2,-0.4 165,-0.1 13,-0.2 -0.551 29.8 179.4 -75.9 135.1 14.3 18.2 44.8 29 34 A E E -H 40 0D 118 11,-2.1 11,-3.3 -2,-0.3 2,-0.3 -0.983 1.8-179.8-136.8 128.0 16.6 15.6 43.2 30 35 A S E -H 39 0D 36 164,-0.4 2,-0.4 -2,-0.4 9,-0.2 -0.902 9.0-165.7-125.7 152.9 16.8 14.8 39.5 31 36 A K E -H 38 0D 99 7,-2.5 7,-2.8 -2,-0.3 2,-0.5 -0.997 6.2-158.1-138.1 130.1 18.8 12.4 37.4 32 37 A I E +H 37 0D 77 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.951 23.6 168.8-104.8 128.8 19.3 12.4 33.7 33 38 A H E > -H 36 0D 78 3,-2.0 3,-1.4 -2,-0.5 2,-0.5 -0.570 49.0 -49.0-125.1-168.5 20.3 9.0 32.3 34 39 A K T 3 S- 0 0 141 1,-0.3 16,-0.1 -2,-0.2 22,-0.1 -0.558 123.2 -14.1 -74.2 117.9 20.5 7.5 28.7 35 40 A Y T 3 S+ 0 0 82 -2,-0.5 15,-3.0 1,-0.2 2,-0.3 0.836 132.5 48.0 55.9 38.1 17.3 8.3 26.9 36 41 A G E < -HI 33 49D 0 -3,-1.4 -3,-2.0 13,-0.2 21,-0.3 -0.984 57.4-157.1-177.0-175.2 15.5 9.3 30.0 37 42 A A E -HI 32 48D 0 11,-2.1 11,-3.0 -2,-0.3 2,-0.3 -0.967 5.8-158.8-170.1 157.8 15.3 11.3 33.2 38 43 A S E -HI 31 47D 11 -7,-2.8 -7,-2.5 -2,-0.3 2,-0.3 -0.967 0.9-161.1-146.4 159.0 13.6 11.3 36.6 39 44 A V E -HI 30 46D 2 7,-2.1 7,-2.6 -2,-0.3 2,-0.6 -0.977 8.4-155.5-148.4 133.1 12.8 13.7 39.3 40 45 A S E +HI 29 45D 26 -11,-3.3 -11,-2.1 -2,-0.3 2,-0.3 -0.946 41.6 132.8-107.9 114.4 11.9 13.2 43.0 41 46 A N E > + I 0 44D 18 3,-2.3 3,-1.4 -2,-0.6 -13,-0.1 -0.932 57.1 7.2-165.5 137.3 10.0 16.3 44.3 42 47 A G T 3 S- 0 0 3 -2,-0.3 -18,-0.4 1,-0.3 3,-0.1 0.563 127.7 -50.6 72.3 11.1 6.9 17.2 46.2 43 48 A G T 3 S+ 0 0 4 1,-0.2 65,-3.0 65,-0.2 2,-0.4 0.428 120.3 90.9 101.4 4.5 6.0 13.7 47.2 44 49 A L E < -IJ 41 107D 2 -3,-1.4 -3,-2.3 63,-0.2 2,-0.6 -0.996 59.6-150.3-135.9 132.4 6.2 12.2 43.7 45 50 A N E -IJ 40 106D 30 61,-3.0 61,-2.4 -2,-0.4 2,-0.5 -0.913 19.7-165.7 -91.1 123.7 8.9 10.6 41.6 46 51 A I E -IJ 39 105D 4 -7,-2.6 -7,-2.1 -2,-0.6 2,-0.4 -0.972 5.8-172.1-112.2 121.5 8.2 11.3 37.9 47 52 A S E -IJ 38 104D 21 57,-2.5 57,-2.8 -2,-0.5 2,-0.5 -0.968 6.5-169.8-117.7 132.5 10.2 9.2 35.4 48 53 A V E -IJ 37 103D 0 -11,-3.0 -11,-2.1 -2,-0.4 2,-0.4 -0.991 3.2-175.1-121.7 119.8 10.3 9.7 31.7 49 54 A D E -IJ 36 102D 60 53,-2.7 53,-3.3 -2,-0.5 2,-0.7 -0.976 17.1-144.4-113.6 135.0 11.9 7.1 29.3 50 55 A L E - J 0 101D 7 -15,-3.0 2,-0.5 -2,-0.4 3,-0.4 -0.856 15.3-162.7-101.6 110.4 12.2 7.7 25.6 51 56 A L E S- J 0 100D 70 49,-3.0 49,-2.4 -2,-0.7 -16,-0.0 -0.871 73.6 -11.9-102.5 120.8 11.7 4.5 23.7 52 57 A N S S+ 0 0 69 -2,-0.5 46,-0.3 47,-0.2 -1,-0.2 0.872 104.9 110.7 53.9 42.6 13.0 4.5 20.1 53 58 A c - 0 0 0 -3,-0.4 -2,-0.1 2,-0.1 3,-0.1 0.616 63.9-150.4-113.4 -26.6 13.5 8.3 20.2 54 59 A F + 0 0 40 -4,-0.3 2,-0.3 1,-0.2 -3,-0.1 0.880 56.4 120.4 58.6 40.9 17.3 8.6 20.1 55 60 A L - 0 0 0 -5,-0.1 2,-0.4 30,-0.1 -1,-0.2 -0.968 49.7-150.6-137.4 147.3 17.1 11.8 22.1 56 61 A N - 0 0 20 -2,-0.3 2,-0.2 27,-0.2 -45,-0.1 -0.938 14.9-128.6-120.6 145.0 18.5 12.9 25.5 57 62 A F - 0 0 2 -2,-0.4 18,-0.3 -24,-0.3 -21,-0.1 -0.602 16.9-173.8 -82.2 152.8 17.2 15.4 28.0 58 63 A H + 0 0 24 16,-3.2 2,-0.3 1,-0.3 17,-0.2 0.572 64.8 28.2-118.0 -24.6 19.6 18.1 29.2 59 64 A T E -D 74 0B 44 15,-2.5 15,-2.5 2,-0.0 2,-0.4 -0.975 52.6-160.0-144.5 148.7 17.6 19.8 31.9 60 65 A V E -D 73 0B 8 -2,-0.3 134,-0.9 13,-0.2 2,-0.3 -0.995 15.0-176.5-127.9 124.7 14.8 19.1 34.4 61 66 A G E -DE 72 193B 11 11,-2.4 11,-2.4 -2,-0.4 2,-0.3 -0.877 7.2-162.5-112.8 156.1 12.9 22.0 35.9 62 67 A V E -DE 71 192B 9 130,-2.7 130,-3.0 -2,-0.3 2,-0.3 -0.899 12.0-172.2-132.9 159.6 10.2 21.7 38.6 63 68 A Y E -D 70 0B 13 7,-2.0 7,-2.9 -2,-0.3 2,-0.4 -0.971 5.2-164.6-144.2 149.7 7.3 23.7 40.1 64 69 A T E +D 69 0B 18 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.989 14.2 164.4-135.9 130.7 5.1 23.0 43.1 65 70 A N E > -D 68 0B 12 3,-2.4 3,-3.0 -2,-0.4 2,-0.8 -0.963 60.3 -45.8-149.2 126.3 1.8 24.7 43.9 66 71 A R T 3 S- 0 0 91 -2,-0.3 -43,-2.4 1,-0.3 50,-0.2 -0.354 125.5 -19.9 60.8 -98.1 -1.0 23.7 46.3 67 72 A D T 3 S+ 0 0 62 -2,-0.8 -48,-3.2 -45,-0.3 2,-0.4 0.122 118.5 96.5-124.5 13.9 -1.5 20.0 45.7 68 73 A T E < -CD 18 65B 9 -3,-3.0 -3,-2.4 -50,-0.3 2,-0.4 -0.930 52.3-160.2-121.6 129.9 0.2 19.9 42.2 69 74 A V E -CD 17 64B 3 -52,-2.9 -52,-2.8 -2,-0.4 2,-0.4 -0.840 12.0-164.9-101.4 141.7 3.7 18.9 41.2 70 75 A Y E -CD 16 63B 12 -7,-2.9 -7,-2.0 -2,-0.4 2,-0.3 -0.984 7.6-178.9-126.0 142.7 5.0 20.0 37.8 71 76 A A E -CD 15 62B 0 -56,-2.5 -56,-2.6 -2,-0.4 2,-0.5 -0.997 9.2-167.3-137.4 143.9 8.1 18.8 35.8 72 77 A K E -CD 14 61B 66 -11,-2.4 -11,-2.4 -2,-0.3 2,-0.5 -0.984 5.5-166.8-131.2 113.4 9.5 19.9 32.5 73 78 A F E +CD 13 60B 0 -60,-3.2 -60,-2.9 -2,-0.5 2,-0.3 -0.914 26.7 160.2 -97.9 127.8 12.2 17.7 30.9 74 79 A A E -CD 12 59B 0 -15,-2.5 -16,-3.2 -2,-0.5 -15,-2.5 -0.961 41.0-120.3-146.4 162.5 14.0 19.4 28.1 75 80 A S - 0 0 10 -64,-1.5 2,-0.2 -2,-0.3 -18,-0.1 -0.686 30.3-151.6 -93.2 155.6 16.9 19.7 25.8 76 81 A L - 0 0 88 -2,-0.3 5,-0.1 1,-0.2 -65,-0.1 -0.424 55.3 -24.1-113.0-171.2 19.0 22.9 25.7 77 82 A D >> - 0 0 75 1,-0.2 4,-0.9 -2,-0.2 3,-0.7 -0.150 64.0-149.7 -40.2 115.4 21.1 24.6 23.0 78 83 A P T 34 S+ 0 0 4 0, 0.0 7,-0.3 0, 0.0 -1,-0.2 0.624 86.2 49.5 -78.1 -14.9 21.9 21.6 20.8 79 84 A W T 34 S+ 0 0 130 1,-0.1 -2,-0.1 5,-0.1 5,-0.1 0.539 119.2 35.3 -99.9 -10.2 25.3 22.7 19.4 80 85 A T T <4 S+ 0 0 111 -3,-0.7 2,-0.4 2,-0.0 -1,-0.1 0.395 101.3 84.0-121.0 1.4 26.9 23.6 22.8 81 86 A T S < S- 0 0 29 -4,-0.9 4,-0.1 -5,-0.1 -23,-0.0 -0.860 77.2-105.6-113.3 138.1 25.4 21.0 25.1 82 87 A E S S+ 0 0 148 -2,-0.4 2,-0.1 1,-0.1 -3,-0.0 -0.893 98.7 40.7-108.1 140.0 26.6 17.5 25.7 83 88 A P S S- 0 0 58 0, 0.0 2,-0.2 0, 0.0 -27,-0.2 0.561 92.4-133.9 -80.0 147.8 25.5 15.0 24.8 84 89 A I - 0 0 76 1,-0.1 2,-1.6 -2,-0.1 -2,-0.1 -0.442 7.5-133.7 -68.8 130.2 24.6 16.3 21.3 85 90 A N + 0 0 5 -7,-0.3 -76,-1.4 -2,-0.2 2,-0.3 -0.566 57.3 132.2 -86.1 73.2 21.1 15.4 20.1 86 91 A S E +A 8 0A 36 -2,-1.6 2,-0.3 -78,-0.2 -78,-0.2 -0.848 25.7 168.7-118.4 160.4 22.0 14.3 16.6 87 92 A M E -A 7 0A 13 -80,-2.0 -80,-3.5 -2,-0.3 -82,-0.1 -0.976 36.3 -91.9-164.3 158.9 20.9 11.2 14.8 88 93 A T E > -A 6 0A 65 -2,-0.3 4,-1.6 -82,-0.2 -82,-0.2 -0.257 40.6-110.0 -71.5 167.0 21.0 9.6 11.3 89 94 A H H > S+ 0 0 76 -84,-0.9 4,-2.0 1,-0.2 5,-0.1 0.885 119.4 54.3 -67.8 -37.2 18.0 10.1 8.9 90 95 A D H > S+ 0 0 122 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.824 107.6 50.6 -63.5 -33.9 17.0 6.4 9.3 91 96 A D H > S+ 0 0 64 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.849 107.7 53.2 -72.1 -33.6 16.9 6.9 13.0 92 97 A L H X S+ 0 0 7 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.871 105.9 53.7 -66.8 -35.4 14.7 10.0 12.5 93 98 A V H X S+ 0 0 60 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.951 110.7 46.3 -63.2 -46.9 12.3 7.9 10.4 94 99 A K H X>S+ 0 0 82 -4,-1.8 4,-3.0 2,-0.2 5,-0.5 0.879 110.2 53.6 -61.2 -41.3 12.1 5.4 13.3 95 100 A L H X5S+ 0 0 1 -4,-2.4 4,-2.4 3,-0.2 -2,-0.2 0.983 109.6 48.9 -54.5 -54.9 11.6 8.3 15.8 96 101 A T H <5S+ 0 0 65 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.854 122.8 32.1 -51.5 -40.2 8.7 9.5 13.6 97 102 A E H <5S+ 0 0 145 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.734 134.9 18.6 -90.7 -26.9 7.1 6.1 13.4 98 103 A E H <5S+ 0 0 81 -4,-3.0 -3,-0.2 -46,-0.3 -2,-0.2 0.468 76.4 129.4-132.1 -8.9 8.0 4.5 16.7 99 104 A c << - 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