==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 25-SEP-02 1MVK . COMPND 2 MOLECULE: IMMUNOGLOBULIN G BINDING PROTEIN G; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SP. 'GROUP G'; . AUTHOR M.K.FRANK,F.DYDA,A.DOBRODUMOV,A.M.GRONENBORN . 557 24 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31953.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 405 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 19.2 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 . 0 0.0 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 . 65 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.2 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 4 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 9 3 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 . 0 0 0 1 17 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 6 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 62 0, 0.0 54,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 137.1 21.1 17.2 13.8 2 2 A Q E -Ab 54 183A 29 180,-2.3 182,-2.4 52,-0.2 2,-0.4 -0.917 360.0-155.1-116.8 147.1 17.6 17.0 12.3 3 3 A Y E -Ab 53 184A 3 50,-3.0 50,-2.5 -2,-0.4 2,-0.4 -0.957 5.9-165.3-125.3 139.1 16.5 15.4 9.1 4 4 A K E -Ab 52 185A 22 180,-2.9 182,-2.9 -2,-0.4 2,-0.4 -0.962 6.7-179.9-126.3 139.3 13.5 16.4 7.0 5 5 A V E -A 51 0A 4 46,-2.4 46,-2.8 -2,-0.4 2,-0.4 -0.991 11.4-156.4-139.8 128.1 11.8 14.4 4.1 6 6 A I E +A 50 0A 92 180,-0.5 2,-0.4 -2,-0.4 44,-0.2 -0.914 13.2 179.4-112.8 131.9 8.8 15.5 2.2 7 7 A L 0 0 20 42,-3.1 -2,-0.0 -2,-0.4 7,-0.0 -0.968 360.0 360.0-137.8 126.7 6.4 13.1 0.3 8 8 A N 0 0 209 -2,-0.4 -2,-0.0 6,-0.0 4,-0.0 -0.365 360.0 360.0 54.0 360.0 3.3 13.6 -1.7 9 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 10 19 A E 0 0 226 0, 0.0 68,-0.0 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -47.0 6.2 9.5 -5.8 11 20 A A + 0 0 85 65,-0.3 2,-0.4 66,-0.1 66,-0.1 0.757 360.0 103.8 -68.0 -22.8 6.2 5.7 -6.1 12 21 A V S S- 0 0 10 64,-0.2 2,-0.3 1,-0.1 61,-0.0 -0.466 72.1-139.7 -65.6 115.3 7.6 5.8 -2.6 13 22 A D > - 0 0 85 -2,-0.4 4,-1.7 1,-0.1 3,-0.2 -0.617 3.6-140.3 -80.1 137.3 4.9 4.9 -0.1 14 23 A A H > S+ 0 0 32 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.871 99.6 56.5 -64.3 -39.6 4.7 6.9 3.1 15 24 A A H > S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 108.6 45.7 -61.7 -43.5 3.8 3.9 5.3 16 25 A T H > S+ 0 0 57 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.860 109.9 55.0 -68.2 -36.0 6.9 2.0 4.2 17 26 A F H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.933 108.9 48.0 -61.1 -47.0 9.2 5.0 4.7 18 27 A E H X S+ 0 0 42 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.945 114.2 46.8 -57.7 -48.3 7.9 5.3 8.3 19 28 A K H X S+ 0 0 144 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.896 109.8 52.4 -61.2 -46.8 8.5 1.6 8.9 20 29 A V H X S+ 0 0 39 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.916 113.2 45.3 -55.9 -46.3 12.0 1.7 7.3 21 30 A V H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.932 114.5 46.6 -64.4 -47.0 13.0 4.5 9.6 22 31 A K H X S+ 0 0 58 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.906 112.4 52.4 -62.0 -38.6 11.4 2.9 12.7 23 32 A Q H X S+ 0 0 59 -4,-3.1 4,-3.1 1,-0.2 -2,-0.2 0.922 104.1 56.8 -62.7 -44.3 13.2 -0.3 11.7 24 33 A F H < S+ 0 0 1 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.900 111.0 43.1 -53.4 -46.7 16.5 1.6 11.4 25 34 A F H ><>S+ 0 0 7 -4,-1.8 5,-2.5 2,-0.2 3,-1.2 0.904 111.4 52.1 -67.5 -44.6 16.1 2.7 15.0 26 35 A N H ><5S+ 0 0 37 -4,-2.6 3,-2.3 1,-0.3 -2,-0.2 0.944 107.3 55.6 -57.7 -41.5 15.0 -0.6 16.4 27 36 A D T 3<5S+ 0 0 3 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.661 106.0 50.9 -65.1 -18.2 18.0 -2.1 14.6 28 37 A N T < 5S- 0 0 39 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.278 125.2-101.8-102.2 9.3 20.2 0.3 16.6 29 38 A G T < 5S+ 0 0 34 -3,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.481 87.6 112.3 87.0 5.6 18.6 -0.7 19.9 30 39 A V < - 0 0 15 -5,-2.5 -2,-0.2 -6,-0.1 2,-0.2 -0.940 49.4-156.6-119.8 121.6 16.3 2.3 20.3 31 40 A D + 0 0 61 -2,-0.5 111,-2.0 -5,-0.1 112,-0.5 -0.621 26.8 139.8 -92.8 153.0 12.5 2.1 20.1 32 41 A G E -C 141 0A 0 109,-0.3 2,-0.3 -2,-0.2 109,-0.3 -0.960 34.1-127.4-175.9 170.3 10.2 4.9 19.3 33 42 A E E -C 140 0A 92 107,-2.6 107,-3.5 -2,-0.3 2,-0.6 -0.906 27.0-105.2-133.2 159.8 7.0 5.9 17.3 34 43 A W E -C 139 0A 28 -2,-0.3 2,-0.3 105,-0.3 105,-0.2 -0.766 42.9-177.4 -87.2 117.6 6.0 8.5 14.7 35 44 A T E -C 138 0A 67 103,-2.8 103,-2.8 -2,-0.6 2,-0.3 -0.810 28.3-110.2-116.1 154.4 3.8 11.2 16.3 36 45 A Y E -C 137 0A 143 -2,-0.3 101,-0.2 101,-0.2 2,-0.1 -0.620 35.8-122.1 -80.9 139.3 2.1 14.3 14.8 37 46 A D - 0 0 44 99,-2.8 99,-0.2 -2,-0.3 3,-0.1 -0.405 31.1 -95.1 -78.3 158.9 3.5 17.7 15.8 38 47 A D - 0 0 131 1,-0.1 -1,-0.1 -2,-0.1 98,-0.1 -0.442 62.5 -78.1 -69.8 147.4 1.5 20.4 17.5 39 48 A A - 0 0 52 -2,-0.1 107,-1.4 -3,-0.1 2,-0.4 -0.099 48.1-156.9 -50.1 144.2 0.1 22.9 14.9 40 49 A T E -f 146 0B 12 93,-0.3 93,-3.0 105,-0.1 2,-0.4 -0.983 4.4-156.0-128.9 137.9 2.3 25.5 13.4 41 50 A K E -fG 147 132B 33 105,-2.3 107,-3.2 -2,-0.4 2,-0.4 -0.941 6.3-160.6-114.3 134.0 1.4 28.9 11.9 42 51 A T E -fG 148 131B 17 89,-3.1 89,-3.5 -2,-0.4 2,-0.9 -0.945 22.6-125.4-114.3 133.1 3.7 30.7 9.4 43 52 A F E - G 0 130B 9 105,-2.0 2,-0.6 -2,-0.4 107,-0.5 -0.715 32.7-157.3 -77.7 109.5 3.4 34.4 8.7 44 53 A T E - G 0 129B 62 85,-3.6 85,-2.2 -2,-0.9 2,-0.1 -0.836 8.8-134.0 -97.0 120.4 2.9 34.4 4.9 45 54 A V E - G 0 128B 64 -2,-0.6 83,-0.3 83,-0.3 81,-0.0 -0.396 12.3-133.1 -66.7 145.4 3.8 37.6 3.0 46 55 A T 0 0 86 81,-2.9 82,-0.1 -2,-0.1 -1,-0.1 0.133 360.0 360.0 -88.5 22.3 1.2 38.6 0.4 47 56 A E 0 0 217 80,-0.2 -2,-0.1 0, 0.0 79,-0.0 -0.521 360.0 360.0-164.9 360.0 3.9 39.2 -2.3 48 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 49 1 B M 0 0 73 0, 0.0 -42,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 133.2 3.4 15.5 3.9 50 2 B Q E -Ad 6 136A 47 85,-0.7 87,-2.0 -44,-0.2 2,-0.4 -0.870 360.0-162.3-108.5 141.1 6.6 16.4 5.8 51 3 B Y E -Ad 5 137A 8 -46,-2.8 -46,-2.4 -2,-0.4 2,-0.4 -0.976 3.1-166.7-124.4 134.9 8.6 14.0 8.0 52 4 B K E -Ad 4 138A 27 85,-2.6 87,-1.8 -2,-0.4 2,-0.4 -0.972 5.2-173.9-128.7 132.6 11.2 14.9 10.6 53 5 B V E -A 3 0A 4 -50,-2.5 -50,-3.0 -2,-0.4 2,-0.5 -0.965 11.8-152.8-120.4 139.3 13.7 12.7 12.4 54 6 B I E -A 2 0A 79 85,-0.5 2,-0.5 -2,-0.4 -52,-0.2 -0.956 6.9-169.0-120.3 124.8 16.0 13.9 15.2 55 7 B L 0 0 11 -54,-2.6 4,-0.1 -2,-0.5 7,-0.0 -0.936 360.0 360.0-115.8 116.1 19.4 12.4 16.0 56 8 B N 0 0 141 -2,-0.5 3,-0.0 2,-0.3 -2,-0.0 -0.339 360.0 360.0 56.4 360.0 21.1 13.5 19.3 57 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 58 19 B E 0 0 129 0, 0.0 2,-0.6 0, 0.0 -2,-0.3 0.000 360.0 360.0 360.0 71.7 21.2 6.9 22.6 59 20 B A + 0 0 88 -4,-0.1 2,-0.4 -3,-0.0 -4,-0.0 -0.741 360.0 176.0 -92.6 121.3 23.9 7.5 20.0 60 21 B V - 0 0 17 -2,-0.6 2,-0.4 -30,-0.0 158,-0.1 -0.958 38.3-101.6-123.8 138.4 23.2 6.4 16.4 61 22 B D > - 0 0 95 -2,-0.4 4,-1.8 156,-0.2 5,-0.1 -0.433 26.9-162.3 -65.8 117.3 25.5 6.9 13.3 62 23 B A H > S+ 0 0 33 -2,-0.4 4,-2.9 2,-0.2 5,-0.2 0.878 88.1 54.1 -64.4 -45.3 24.2 9.8 11.2 63 24 B A H > S+ 0 0 60 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.887 109.3 50.9 -57.9 -37.8 26.1 9.0 8.0 64 25 B T H > S+ 0 0 16 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.919 110.2 49.4 -65.7 -45.2 24.6 5.5 8.2 65 26 B F H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.939 110.8 48.7 -59.4 -51.2 21.1 7.0 8.6 66 27 B E H X S+ 0 0 41 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.909 114.6 47.6 -54.1 -44.8 21.6 9.3 5.7 67 28 B K H X S+ 0 0 138 -4,-2.3 4,-3.4 -5,-0.2 -2,-0.2 0.942 109.5 51.0 -62.0 -52.5 22.9 6.4 3.6 68 29 B V H X S+ 0 0 12 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.919 114.8 43.7 -53.1 -48.2 20.0 4.1 4.6 69 30 B V H X S+ 0 0 3 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.905 113.4 49.5 -67.7 -43.0 17.4 6.7 3.7 70 31 B K H X S+ 0 0 68 -4,-2.5 4,-2.4 -5,-0.3 3,-0.4 0.968 112.3 49.7 -60.3 -47.4 19.1 7.7 0.4 71 32 B Q H X S+ 0 0 95 -4,-3.4 4,-3.0 1,-0.2 5,-0.3 0.931 105.4 57.4 -52.9 -50.9 19.3 4.0 -0.4 72 33 B F H X S+ 0 0 17 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.866 108.8 45.9 -48.6 -44.6 15.6 3.5 0.4 73 34 B F H ><>S+ 0 0 3 -4,-2.0 5,-2.8 -3,-0.4 3,-0.6 0.916 109.9 53.3 -68.7 -40.5 14.8 6.2 -2.2 74 35 B N H ><5S+ 0 0 60 -4,-2.4 3,-2.7 1,-0.3 -2,-0.2 0.950 106.0 54.0 -57.5 -48.5 17.1 4.6 -4.8 75 36 B D H 3<5S+ 0 0 113 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.763 109.8 48.2 -56.3 -28.9 15.3 1.3 -4.2 76 37 B N T <<5S- 0 0 54 -4,-0.9 -1,-0.3 -3,-0.6 -65,-0.3 0.171 126.5-102.6 -98.5 17.2 12.1 3.1 -5.0 77 38 B G T < 5S+ 0 0 64 -3,-2.7 2,-0.4 1,-0.2 -3,-0.2 0.797 79.5 130.2 68.4 36.0 13.6 4.7 -8.1 78 39 B V < - 0 0 15 -5,-2.8 2,-0.4 -8,-0.2 -1,-0.2 -0.975 41.3-156.6-126.7 128.6 14.2 8.1 -6.6 79 40 B D + 0 0 97 111,-0.7 110,-2.5 -2,-0.4 111,-0.8 -0.821 32.0 129.6-101.9 141.0 17.4 10.1 -6.7 80 41 B G E -E 188 0A 1 -2,-0.4 2,-0.3 108,-0.2 108,-0.2 -0.959 36.1-137.9-177.9 164.4 18.2 12.8 -4.2 81 42 B E E -E 187 0A 95 106,-1.6 106,-3.1 -2,-0.3 2,-0.8 -0.885 33.5 -96.1-133.8 163.7 20.8 14.2 -1.8 82 43 B W E -E 186 0A 31 -2,-0.3 2,-0.3 104,-0.2 104,-0.2 -0.734 45.5-171.8 -84.5 110.5 20.9 15.6 1.7 83 44 B T E -E 185 0A 64 102,-2.6 102,-2.9 -2,-0.8 2,-0.2 -0.777 22.5-113.9-103.6 149.0 20.8 19.4 1.4 84 45 B Y E -E 184 0A 146 -2,-0.3 2,-0.3 100,-0.2 100,-0.2 -0.529 25.0-138.8 -80.9 147.0 21.3 21.9 4.2 85 46 B D - 0 0 52 98,-2.3 98,-0.3 -2,-0.2 3,-0.1 -0.721 31.4 -92.4-101.7 154.9 18.4 24.1 5.3 86 47 B D - 0 0 131 -2,-0.3 -1,-0.1 1,-0.1 12,-0.1 -0.425 60.4 -88.9 -66.0 139.7 18.8 27.8 6.3 87 48 B A - 0 0 43 10,-0.1 11,-2.2 -2,-0.1 2,-0.4 0.064 38.5-149.2 -47.7 158.9 19.4 28.1 10.0 88 49 B T E -h 98 0B 14 92,-0.3 92,-2.7 9,-0.2 2,-0.4 -0.999 6.3-163.5-135.9 131.0 16.5 28.4 12.5 89 50 B K E -hI 99 179B 28 9,-2.2 11,-2.3 -2,-0.4 2,-0.4 -0.895 7.5-157.2-112.7 144.9 16.6 30.3 15.7 90 51 B T E -hI 100 178B 16 88,-2.3 88,-2.1 -2,-0.4 2,-0.8 -0.935 25.8-114.2-122.4 142.5 14.0 29.6 18.3 91 52 B F E - I 0 177B 14 9,-2.4 2,-0.6 -2,-0.4 11,-0.4 -0.760 37.7-157.6 -76.8 114.9 13.1 32.1 21.0 92 53 B T E - I 0 176B 54 84,-2.7 84,-2.0 -2,-0.8 2,-0.1 -0.877 11.4-132.1-101.8 121.7 14.2 30.3 24.1 93 54 B V E - I 0 175B 71 -2,-0.6 82,-0.3 82,-0.2 80,-0.0 -0.475 14.4-134.0 -67.5 140.0 12.7 31.3 27.4 94 55 B T 0 0 74 80,-2.6 81,-0.1 1,-0.2 -1,-0.1 0.626 360.0 360.0 -71.2 -12.7 15.5 31.8 30.0 95 56 B E 0 0 214 79,-0.4 -1,-0.2 0, 0.0 79,-0.2 -0.513 360.0 360.0 74.3 360.0 13.4 29.7 32.5 96 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 97 1 C M 0 0 52 0, 0.0 54,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 130.5 16.9 32.8 8.1 98 2 C Q E -hJ 88 150B 41 -11,-2.2 -9,-2.2 52,-0.2 2,-0.4 -0.857 360.0-160.7-106.8 137.8 13.9 31.1 9.9 99 3 C Y E -hJ 89 149B 5 50,-3.0 50,-2.5 -2,-0.4 2,-0.4 -0.959 4.8-167.0-122.2 140.3 12.6 32.2 13.3 100 4 C K E -hJ 90 148B 22 -11,-2.3 -9,-2.4 -2,-0.4 2,-0.4 -0.976 7.2-175.8-133.1 136.8 10.4 30.1 15.7 101 5 C V E - J 0 147B 6 46,-2.6 46,-3.7 -2,-0.4 2,-0.5 -0.973 10.5-155.7-127.8 142.4 8.4 31.0 18.8 102 6 C I E - 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