==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNOGLOBULIN BINDING PROTEIN 02-MAY-99 3GB1 . COMPND 2 MOLECULE: PROTEIN (B1 DOMAIN OF STREPTOCOCCAL PROTEIN G); . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SP. 'GROUP G'; . AUTHOR G.M.CLORE . 56 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3954.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 41 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 25.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.8 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 . 1 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 . 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 . 5 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 5.4 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 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 . 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 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 M 0 0 132 0, 0.0 19,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 151.5 -12.2 -2.8 5.7 2 2 A T E -A 19 0A 92 17,-0.2 2,-0.4 19,-0.1 17,-0.2 -0.752 360.0-167.3 -90.7 129.0 -8.6 -2.5 6.8 3 3 A Y E -A 18 0A 8 15,-2.3 15,-1.7 -2,-0.5 2,-0.4 -0.879 8.4-147.3-113.2 144.3 -5.9 -2.6 4.1 4 4 A K E -Ab 17 51A 77 46,-1.9 48,-3.2 -2,-0.4 2,-0.5 -0.913 6.1-159.8-115.6 140.0 -2.2 -3.0 4.9 5 5 A L E -Ab 16 52A 0 11,-2.6 11,-1.8 -2,-0.4 2,-0.5 -0.962 2.1-159.1-120.1 130.0 0.8 -1.5 2.9 6 6 A I E -Ab 15 53A 51 46,-2.1 48,-1.6 -2,-0.5 2,-0.7 -0.909 9.6-153.5-107.8 125.2 4.4 -2.9 3.1 7 7 A L E +Ab 14 54A 9 7,-3.3 7,-1.7 -2,-0.5 2,-0.3 -0.863 17.8 175.3-103.9 115.4 7.1 -0.4 2.0 8 8 A N E +Ab 13 55A 74 46,-1.6 48,-1.1 -2,-0.7 5,-0.2 -0.459 20.0 162.6-111.6 59.8 10.3 -1.9 0.6 9 9 A G - 0 0 2 3,-2.4 30,-0.1 -2,-0.3 32,-0.0 -0.289 53.1-111.3 -72.0 165.5 12.2 1.3 -0.4 10 10 A K S S+ 0 0 150 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 0.927 116.6 2.7 -63.8 -40.0 16.0 1.1 -1.0 11 11 A T S S+ 0 0 138 1,-0.1 2,-0.7 -3,-0.0 -1,-0.2 0.551 125.1 76.8-118.5 -20.0 16.4 3.2 2.2 12 12 A L + 0 0 68 2,-0.0 -3,-2.4 -4,-0.0 2,-0.4 -0.835 55.5 166.3 -98.2 118.2 12.8 3.6 3.3 13 13 A K E +A 8 0A 150 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.989 21.8 101.7-131.8 126.8 11.4 0.4 5.0 14 14 A G E -A 7 0A 36 -7,-1.7 -7,-3.3 -2,-0.4 2,-0.3 -0.989 47.1-126.6 179.8-178.0 8.2 0.3 7.0 15 15 A E E +A 6 0A 129 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.981 20.0 176.4-148.1 157.7 4.5 -0.7 7.0 16 16 A T E -A 5 0A 46 -11,-1.8 -11,-2.6 -2,-0.3 2,-0.3 -0.973 15.3-140.7-156.4 167.5 1.2 1.1 7.7 17 17 A T E +A 4 0A 88 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.917 16.0 178.7-133.7 161.0 -2.6 0.4 7.7 18 18 A T E -A 3 0A 42 -15,-1.7 -15,-2.3 -2,-0.3 2,-0.4 -0.988 28.6-112.7-156.3 162.3 -5.6 2.5 6.7 19 19 A E E +A 2 0A 162 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.845 38.2 165.0-102.9 135.5 -9.4 2.1 6.5 20 20 A A - 0 0 12 -19,-2.0 3,-0.0 -2,-0.4 -2,-0.0 -0.995 44.6-128.3-149.5 140.8 -11.1 2.2 3.1 21 21 A V S S- 0 0 124 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.820 94.1 -10.8 -60.0 -26.4 -14.6 1.2 1.9 22 22 A D S > S- 0 0 64 -21,-0.1 4,-1.3 1,-0.1 3,-0.2 -0.957 77.7 -91.9-159.9 176.6 -12.9 -0.9 -0.8 23 23 A A H > S+ 0 0 21 -2,-0.3 4,-2.2 1,-0.2 -1,-0.1 0.854 116.7 66.7 -68.7 -32.5 -9.5 -1.7 -2.4 24 24 A A H > S+ 0 0 54 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.926 103.4 45.3 -57.3 -40.2 -10.2 0.9 -5.2 25 25 A T H > S+ 0 0 40 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.890 107.1 59.6 -70.2 -35.5 -10.0 3.7 -2.5 26 26 A A H X>S+ 0 0 0 -4,-1.3 4,-2.7 1,-0.2 5,-0.6 0.920 99.2 57.9 -59.8 -40.0 -6.9 2.1 -1.0 27 27 A E H X5S+ 0 0 108 -4,-2.2 4,-2.1 1,-0.2 5,-0.3 0.962 110.0 42.8 -56.1 -49.8 -5.1 2.5 -4.3 28 28 A K H X5S+ 0 0 151 -4,-1.2 4,-2.0 2,-0.2 5,-0.2 0.919 117.9 45.2 -63.8 -43.7 -5.7 6.3 -4.2 29 29 A V H X5S+ 0 0 64 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.977 119.0 39.0 -67.7 -54.4 -4.8 6.7 -0.5 30 30 A F H X5S+ 0 0 4 -4,-2.7 4,-3.5 -5,-0.2 5,-0.3 0.914 115.1 54.4 -63.8 -39.7 -1.6 4.5 -0.5 31 31 A K H XS+ 0 0 0 -4,-3.5 5,-2.8 -5,-0.2 3,-0.4 0.921 111.1 52.0 -61.2 -40.7 3.7 6.7 -1.2 35 35 A N H ><5S+ 0 0 95 -4,-2.2 3,-2.1 -5,-0.3 -2,-0.2 0.939 105.2 54.2 -62.0 -45.0 4.1 9.8 -3.4 36 36 A D H 3<5S+ 0 0 124 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.806 110.1 48.6 -60.7 -25.3 4.3 12.1 -0.4 37 37 A N T 3<5S- 0 0 71 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.373 118.8-113.0 -95.9 6.7 7.2 9.8 0.8 38 38 A G T < 5 + 0 0 52 -3,-2.1 2,-0.6 1,-0.2 -3,-0.2 0.899 66.4 149.2 67.2 37.6 8.9 9.9 -2.6 39 39 A V < + 0 0 4 -5,-2.8 2,-0.4 -8,-0.1 -1,-0.2 -0.908 14.4 164.4-109.9 122.3 8.3 6.2 -3.2 40 40 A D + 0 0 108 -2,-0.6 2,-0.3 -5,-0.0 14,-0.0 -0.995 21.8 105.6-132.9 137.0 7.8 5.0 -6.8 41 41 A G S S- 0 0 34 -2,-0.4 2,-0.5 -32,-0.0 15,-0.2 -0.925 71.1 -35.9-177.4-156.5 8.0 1.3 -7.9 42 42 A E E -C 55 0A 150 13,-1.8 13,-1.4 -2,-0.3 2,-0.4 -0.765 55.0-144.7 -91.8 128.5 5.9 -1.6 -9.0 43 43 A W E +C 54 0A 82 -2,-0.5 2,-0.3 11,-0.2 11,-0.2 -0.789 20.5 177.8 -96.7 133.6 2.5 -1.8 -7.2 44 44 A T E -C 53 0A 78 9,-2.2 9,-2.5 -2,-0.4 2,-0.4 -0.964 9.1-161.7-131.7 147.9 1.0 -5.3 -6.4 45 45 A Y E -C 52 0A 75 -2,-0.3 2,-0.6 7,-0.2 7,-0.2 -0.993 7.4-156.1-134.8 135.9 -2.2 -6.1 -4.5 46 46 A D E >> -C 51 0A 68 5,-1.9 4,-1.4 -2,-0.4 5,-1.2 -0.907 2.8-169.9-112.0 109.5 -3.4 -9.3 -2.8 47 47 A D T 45S+ 0 0 112 -2,-0.6 -1,-0.2 1,-0.2 5,-0.0 0.859 87.5 58.7 -66.4 -32.7 -7.2 -9.6 -2.5 48 48 A A T 45S+ 0 0 92 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.934 122.9 22.4 -63.9 -43.9 -6.8 -12.7 -0.2 49 49 A T T 45S- 0 0 79 2,-0.1 -45,-0.2 -45,-0.0 -1,-0.2 0.424 97.0-133.3-102.6 0.4 -4.7 -10.7 2.4 50 50 A K T <5 + 0 0 61 -4,-1.4 -46,-1.9 1,-0.2 2,-0.5 0.918 59.5 142.6 50.1 40.5 -6.0 -7.2 1.3 51 51 A T E < -bC 4 46A 21 -5,-1.2 -5,-1.9 -48,-0.2 2,-0.4 -0.951 42.6-153.0-118.8 130.0 -2.3 -6.1 1.4 52 52 A F E -bC 5 45A 6 -48,-3.2 -46,-2.1 -2,-0.5 2,-0.4 -0.803 14.0-168.6 -97.7 137.0 -0.7 -3.7 -1.0 53 53 A T E -bC 6 44A 36 -9,-2.5 -9,-2.2 -2,-0.4 2,-0.4 -0.987 6.1-171.0-129.5 134.2 3.0 -4.1 -1.6 54 54 A V E -bC 7 43A 1 -48,-1.6 -46,-1.6 -2,-0.4 2,-0.5 -0.982 3.3-168.3-125.4 130.0 5.3 -1.6 -3.4 55 55 A T E bC 8 42A 63 -13,-1.4 -13,-1.8 -2,-0.4 -46,-0.1 -0.965 360.0 360.0-122.0 127.8 9.0 -2.5 -4.3 56 56 A E 0 0 91 -48,-1.1 -1,-0.2 -2,-0.5 -47,-0.1 0.924 360.0 360.0 -85.3 360.0 11.5 0.1 -5.6