==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 30-APR-10 2KXD . COMPND 2 MOLECULE: 11-MER PEPTIDE, SH3 DOMAIN OF SPECTRIN ALPHA CHAI . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC, GALLUS GALLUS; . AUTHOR V.P.KUTYSHENKO,L.V.GUSHCHINA,V.S.KHRISTOFOROV,D.A.PROKHOROV, . 73 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 37 50.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 30.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 2.7 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 . 6 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.4 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 202 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.3 2.1 0.3 -0.8 2 2 A G + 0 0 56 1,-0.2 65,-0.0 2,-0.0 0, 0.0 0.900 360.0 166.0 89.1 48.1 2.6 -2.4 -3.4 3 3 A A - 0 0 33 1,-0.1 -1,-0.2 65,-0.1 47,-0.1 -0.558 37.3 -97.4 -94.9 160.3 -0.8 -2.6 -5.1 4 4 A P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.148 50.4 -79.6 -69.8 167.5 -1.7 -4.4 -8.3 5 5 A P - 0 0 122 0, 0.0 44,-0.0 0, 0.0 0, 0.0 -0.362 51.3-102.4 -69.7 147.2 -2.1 -2.6 -11.7 6 6 A L - 0 0 86 1,-0.1 27,-0.0 -3,-0.1 0, 0.0 -0.212 43.5 -94.0 -66.6 159.3 -5.2 -0.7 -12.6 7 7 A P - 0 0 35 0, 0.0 -1,-0.1 0, 0.0 26,-0.0 -0.153 27.8-115.3 -69.8 167.1 -7.9 -2.2 -14.8 8 8 A P S S+ 0 0 112 0, 0.0 -2,-0.1 0, 0.0 2,-0.0 0.931 96.7 40.5 -69.7 -48.2 -8.1 -1.6 -18.6 9 9 A Y S S- 0 0 194 3,-0.0 2,-0.3 2,-0.0 3,-0.1 -0.118 75.8-142.4 -89.4-170.0 -11.5 0.2 -18.6 10 10 A S - 0 0 91 1,-0.2 24,-0.0 -2,-0.0 0, 0.0 -0.989 20.9-118.8-157.4 149.3 -12.8 2.8 -16.1 11 11 A A - 0 0 60 -2,-0.3 -1,-0.2 34,-0.1 3,-0.1 0.972 49.0-127.6 -51.7 -65.9 -16.1 3.8 -14.5 12 12 A G + 0 0 71 1,-0.1 2,-0.3 -3,-0.1 -1,-0.0 0.748 65.2 47.9 111.7 73.5 -16.3 7.3 -16.0 13 13 A G S S- 0 0 48 32,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.936 91.1 -21.0 170.2-146.0 -16.8 10.1 -13.5 14 14 A R - 0 0 201 -2,-0.3 31,-0.7 29,-0.1 2,-0.2 -0.755 52.6-165.7 -98.7 143.2 -15.5 11.5 -10.2 15 15 A E - 0 0 41 -2,-0.3 2,-0.4 29,-0.3 31,-0.1 -0.470 14.9-120.8-114.1-173.5 -13.6 9.4 -7.6 16 16 A V - 0 0 0 29,-0.3 28,-0.1 -2,-0.2 24,-0.1 -0.995 24.4-114.1-137.9 131.0 -12.6 9.8 -4.0 17 17 A T - 0 0 59 -2,-0.4 2,-0.3 22,-0.1 53,-0.2 -0.339 35.9-168.7 -62.1 137.4 -9.1 9.8 -2.4 18 18 A M B -A 69 0A 0 51,-1.9 51,-2.6 49,-0.1 2,-0.3 -0.968 9.1-154.0-132.0 147.3 -8.4 6.9 -0.2 19 19 A K > - 0 0 107 -2,-0.3 3,-2.5 49,-0.2 46,-0.4 -0.918 36.7 -91.4-121.8 147.5 -5.6 6.1 2.3 20 20 A K T 3 S+ 0 0 149 -2,-0.3 46,-0.2 1,-0.3 48,-0.1 -0.367 117.7 19.1 -57.3 111.7 -4.3 2.7 3.5 21 21 A G T 3 S+ 0 0 41 44,-1.9 2,-0.3 -2,-0.4 -1,-0.3 0.506 93.3 136.0 103.7 7.6 -6.3 2.0 6.6 22 22 A D < - 0 0 41 -3,-2.5 43,-2.1 1,-0.0 2,-0.8 -0.668 52.4-131.4 -90.9 143.8 -9.2 4.3 5.9 23 23 A I E -B 64 0B 96 -2,-0.3 2,-0.4 41,-0.2 41,-0.2 -0.835 25.0-170.7 -98.8 108.1 -12.8 3.3 6.3 24 24 A L E -B 63 0B 0 39,-2.5 39,-1.8 -2,-0.8 2,-0.6 -0.827 26.9-117.4-101.2 134.8 -14.9 4.1 3.3 25 25 A T E -BC 62 38B 72 13,-2.5 13,-1.5 -2,-0.4 2,-0.3 -0.571 30.3-130.8 -72.4 113.5 -18.7 3.8 3.3 26 26 A L E + C 0 37B 24 35,-1.1 11,-0.2 -2,-0.6 3,-0.1 -0.474 39.0 159.9 -67.8 127.3 -19.7 1.1 0.8 27 27 A L E + 0 0 83 9,-2.7 2,-0.3 1,-0.4 10,-0.2 0.753 64.0 4.8-112.8 -52.9 -22.5 2.4 -1.5 28 28 A N E + C 0 36B 93 8,-2.2 8,-2.2 1,-0.1 -1,-0.4 -1.000 43.7 173.8-141.3 139.1 -22.4 0.2 -4.6 29 29 A S + 0 0 60 -2,-0.3 6,-0.1 6,-0.2 -1,-0.1 -0.010 37.0 130.6-131.3 27.3 -20.3 -2.9 -5.6 30 30 A T + 0 0 120 2,-0.1 2,-0.3 6,-0.0 5,-0.1 0.802 68.7 63.6 -51.7 -30.4 -22.0 -3.8 -8.9 31 31 A N S S- 0 0 84 3,-0.6 5,-0.1 1,-0.1 17,-0.0 -0.680 72.4-148.4 -98.3 152.5 -18.5 -3.9 -10.3 32 32 A K S S+ 0 0 188 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.418 101.2 33.3 -96.1 -0.9 -15.8 -6.4 -9.3 33 33 A D S S+ 0 0 84 1,-0.3 15,-1.9 15,-0.1 16,-0.6 0.666 118.7 46.2-119.8 -40.3 -13.0 -3.8 -10.1 34 34 A W E - D 0 47B 27 13,-0.2 -3,-0.6 14,-0.1 2,-0.5 -0.941 64.8-170.7-114.0 123.5 -14.6 -0.5 -9.2 35 35 A W E - D 0 46B 53 11,-3.3 11,-2.9 -2,-0.5 2,-0.7 -0.948 18.5-136.2-116.5 128.8 -16.5 0.0 -6.0 36 36 A K E +CD 28 45B 73 -8,-2.2 -9,-2.7 -2,-0.5 -8,-2.2 -0.724 41.2 151.2 -85.5 115.6 -18.5 3.2 -5.2 37 37 A V E -CD 26 44B 2 7,-2.2 7,-2.6 -2,-0.7 2,-0.4 -0.764 40.2-117.3-133.9 179.4 -17.9 4.4 -1.7 38 38 A E E +CD 25 43B 86 -13,-1.5 -13,-2.5 -2,-0.2 2,-0.3 -0.985 34.1 161.5-128.5 125.5 -17.9 7.5 0.4 39 39 A V E > + D 0 42B 8 3,-3.0 3,-1.3 -2,-0.4 -22,-0.1 -0.998 63.5 7.5-143.5 144.7 -14.9 9.0 2.2 40 40 A N T 3 S- 0 0 100 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.863 130.8 -58.4 54.7 38.0 -14.0 12.4 3.6 41 41 A D T 3 S+ 0 0 154 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.786 118.1 115.4 63.5 27.2 -17.5 13.5 3.0 42 42 A R E < -D 39 0B 178 -3,-1.3 -3,-3.0 -25,-0.1 2,-0.4 -0.992 55.6-147.2-132.3 136.2 -17.0 12.7 -0.7 43 43 A Q E +D 38 0B 93 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.849 38.8 119.4-104.4 135.9 -18.6 10.1 -2.9 44 44 A G E -D 37 0B 0 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.5 -0.955 56.7 -83.3-170.4-173.7 -16.8 8.3 -5.7 45 45 A F E -D 36 0B 15 -31,-0.7 -9,-0.3 -2,-0.3 -29,-0.3 -0.951 38.7-178.7-116.8 126.9 -15.6 5.0 -7.2 46 46 A V E -D 35 0B 2 -11,-2.9 -11,-3.3 -2,-0.5 2,-0.6 -0.867 37.9 -92.2-122.8 156.5 -12.3 3.4 -6.1 47 47 A P E >> -D 34 0B 3 0, 0.0 3,-2.6 0, 0.0 4,-0.7 -0.535 25.4-153.7 -69.7 112.6 -10.5 0.2 -7.2 48 48 A A G >4 S+ 0 0 19 -15,-1.9 3,-0.6 -2,-0.6 -14,-0.1 0.788 93.4 70.6 -56.0 -27.9 -11.5 -2.6 -5.0 49 49 A A G 34 S+ 0 0 50 -16,-0.6 -1,-0.3 1,-0.3 -15,-0.1 0.671 100.3 47.3 -63.8 -15.9 -8.2 -4.2 -5.7 50 50 A Y G <4 S+ 0 0 34 -3,-2.6 16,-2.3 -47,-0.1 17,-2.2 0.651 118.2 40.7 -97.7 -21.0 -6.7 -1.4 -3.6 51 51 A V E << -E 65 0B 9 -4,-0.7 2,-0.3 -3,-0.6 14,-0.3 -0.513 67.4-148.1-116.2-174.5 -9.1 -1.8 -0.7 52 52 A K E -E 64 0B 129 12,-2.5 12,-2.5 -2,-0.2 -3,-0.1 -0.879 25.1-108.4-162.4 125.8 -10.8 -4.7 1.2 53 53 A K E -E 63 0B 135 -2,-0.3 2,-0.5 10,-0.3 10,-0.3 -0.126 27.7-143.6 -51.9 148.1 -14.2 -5.1 2.9 54 54 A L + 0 0 55 8,-2.5 8,-0.5 6,-0.1 2,-0.2 -0.867 38.3 146.4-123.2 97.8 -14.1 -5.2 6.7 55 55 A D + 0 0 89 -2,-0.5 -2,-0.1 1,-0.1 -1,-0.0 -0.572 6.8 146.9-130.2 69.4 -16.6 -7.6 8.2 56 56 A S S S- 0 0 122 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.770 88.3 -57.7 -73.8 -26.4 -15.0 -9.0 11.4 57 57 A G S S+ 0 0 78 -3,-0.1 -2,-0.1 3,-0.1 -1,-0.1 0.434 107.3 104.5 148.7 45.0 -18.4 -9.2 13.1 58 58 A T - 0 0 93 2,-0.2 2,-0.3 -4,-0.1 3,-0.1 0.678 67.0-139.2-112.9 -32.4 -20.1 -5.8 13.2 59 59 A G + 0 0 66 1,-0.3 -4,-0.0 3,-0.1 0, 0.0 -0.288 62.2 118.8 101.2 -48.5 -22.7 -6.1 10.5 60 60 A K S S- 0 0 164 -2,-0.3 2,-1.4 1,-0.1 -1,-0.3 -0.153 73.5-115.2 -52.3 145.3 -22.3 -2.6 9.1 61 61 A E + 0 0 153 -35,-0.1 -35,-1.1 -3,-0.1 2,-0.3 -0.666 59.8 143.8 -88.6 86.8 -21.2 -2.5 5.4 62 62 A L E -B 25 0B 36 -2,-1.4 -8,-2.5 -8,-0.5 2,-0.4 -0.939 32.1-157.4-127.0 148.7 -17.8 -0.9 5.7 63 63 A V E -BE 24 53B 4 -39,-1.8 -39,-2.5 -2,-0.3 2,-0.4 -0.967 8.2-143.4-127.8 142.6 -14.6 -1.4 3.8 64 64 A L E -BE 23 52B 46 -12,-2.5 -12,-2.5 -2,-0.4 -41,-0.2 -0.845 20.6-121.1-106.5 140.4 -11.0 -0.6 4.7 65 65 A A E - E 0 51B 0 -43,-2.1 -44,-1.9 -46,-0.4 -14,-0.3 -0.518 21.0-174.5 -78.7 143.9 -8.3 0.6 2.3 66 66 A L S S+ 0 0 47 -16,-2.3 2,-0.4 1,-0.3 -15,-0.2 0.775 70.6 31.5-104.5 -40.8 -5.1 -1.5 1.8 67 67 A Y S S- 0 0 63 -17,-2.2 -1,-0.3 -48,-0.1 2,-0.2 -0.942 85.7-109.0-123.7 144.3 -3.1 0.8 -0.5 68 68 A D + 0 0 80 -2,-0.4 2,-0.3 -49,-0.1 -49,-0.2 -0.476 42.4 174.5 -71.1 135.9 -3.0 4.6 -0.8 69 69 A Y B -A 18 0A 25 -51,-2.6 -51,-1.9 -2,-0.2 2,-0.3 -0.994 14.3-169.6-144.6 148.7 -4.6 6.0 -3.9 70 70 A Q - 0 0 94 -2,-0.3 -53,-0.1 -53,-0.2 -51,-0.0 -1.000 35.7 -97.1-142.4 137.9 -5.4 9.5 -5.3 71 71 A E + 0 0 80 -2,-0.3 2,-0.3 2,-0.1 -54,-0.0 -0.197 45.4 176.3 -51.9 136.7 -7.4 10.7 -8.3 72 72 A K 0 0 184 1,-0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.906 360.0 360.0-151.7 118.7 -5.3 11.4 -11.3 73 73 A S 0 0 168 -2,-0.3 -2,-0.1 0, 0.0 -1,-0.0 -0.331 360.0 360.0-127.1 360.0 -6.4 12.4 -14.8