==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SH3-DOMAIN 09-FEB-01 1H8K . COMPND 2 MOLECULE: SPECTRIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR M.C.VEGA,L.SERRANO . 57 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 57.9 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 . 18 31.6 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 . 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 . 7 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 7.0 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+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 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 K 0 0 177 0, 0.0 28,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 132.3 16.1 5.1 13.5 2 7 A E - 0 0 116 26,-0.4 26,-1.8 55,-0.1 2,-0.4 -0.397 360.0-139.6 -72.7 148.0 15.3 7.2 16.6 3 8 A L E -AB 27 56A 70 53,-1.6 53,-1.7 24,-0.2 2,-0.3 -0.880 17.3-168.0-106.7 137.5 16.3 6.1 20.1 4 9 A V E -AB 26 55A 2 22,-1.9 22,-2.0 -2,-0.4 2,-0.5 -0.945 15.2-133.5-123.5 155.0 14.0 6.5 23.0 5 10 A L E -AB 25 54A 52 49,-0.9 2,-1.5 -2,-0.3 49,-0.6 -0.924 16.2-130.9-112.8 122.6 14.6 6.2 26.7 6 11 A V E - B 0 53A 0 18,-2.7 17,-2.4 -2,-0.5 18,-0.3 -0.546 24.0-174.7 -69.2 97.6 12.3 4.3 29.0 7 12 A L + 0 0 53 45,-1.8 2,-0.3 -2,-1.5 -1,-0.2 0.854 62.4 27.1 -64.7 -31.3 11.8 6.7 31.7 8 13 A Y S S- 0 0 121 44,-1.0 2,-0.6 13,-0.1 16,-0.1 -0.815 86.3 -93.2-134.0 169.8 9.7 4.4 33.8 9 14 A D - 0 0 109 -2,-0.3 2,-0.4 13,-0.1 12,-0.2 -0.695 47.7-179.0 -79.8 121.8 9.0 0.8 34.6 10 15 A Y - 0 0 8 10,-1.9 2,-0.3 -2,-0.6 10,-0.0 -0.968 13.8-167.1-132.8 124.2 6.0 -0.4 32.5 11 16 A Q - 0 0 157 -2,-0.4 8,-0.1 8,-0.2 9,-0.1 -0.723 33.9 -94.7-103.4 153.5 4.2 -3.8 32.3 12 17 A E - 0 0 83 -2,-0.3 -1,-0.1 1,-0.1 6,-0.1 0.044 24.8-173.7 -60.3 169.6 1.8 -4.9 29.5 13 18 A K S S+ 0 0 167 1,-0.5 -1,-0.1 4,-0.1 5,-0.1 0.431 74.5 23.3-137.6 -22.4 -2.0 -4.6 29.5 14 19 A S S S- 0 0 51 3,-0.2 -1,-0.5 4,-0.1 3,-0.2 -0.931 98.1 -73.0-143.9 162.2 -2.8 -6.5 26.2 15 20 A P S S+ 0 0 114 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.310 115.0 12.9 -60.4 142.4 -1.0 -9.1 24.0 16 21 A R S S+ 0 0 169 1,-0.2 2,-0.2 30,-0.1 30,-0.1 0.984 90.4 128.3 49.3 70.8 1.9 -7.8 22.0 17 22 A E - 0 0 17 29,-0.2 -1,-0.2 -3,-0.2 29,-0.2 -0.765 68.9 -98.3-152.8 101.6 2.2 -4.6 23.9 18 23 A V - 0 0 4 -2,-0.2 2,-0.4 21,-0.2 -4,-0.1 0.258 23.7-156.0 -28.6 141.3 5.8 -3.9 25.2 19 24 A T - 0 0 83 -8,-0.1 -8,-0.2 -7,-0.1 -1,-0.1 -0.699 29.3-171.7-124.6 69.5 6.7 -4.7 28.8 20 25 A V - 0 0 5 -2,-0.4 -10,-1.9 1,-0.1 2,-0.2 -0.250 16.3-142.9 -71.7 151.5 9.6 -2.3 29.2 21 26 A K > - 0 0 131 -12,-0.2 3,-0.7 1,-0.1 2,-0.2 -0.522 37.1 -80.7-103.5 173.5 12.1 -2.0 32.0 22 27 A K T 3 S+ 0 0 121 1,-0.2 -15,-0.2 -2,-0.2 -14,-0.1 -0.504 105.8 13.6 -84.4 147.6 13.6 1.3 33.4 23 28 A G T 3 S+ 0 0 41 -17,-2.4 -1,-0.2 1,-0.2 -16,-0.1 0.364 90.2 146.1 75.2 -2.6 16.5 3.1 31.8 24 29 A D < - 0 0 50 -3,-0.7 -18,-2.7 -18,-0.3 2,-0.4 -0.133 43.0-138.6 -64.8 158.5 16.2 1.1 28.6 25 30 A I E -A 5 0A 93 -20,-0.2 2,-0.3 -3,-0.1 -20,-0.2 -0.924 27.0-175.8-116.5 145.0 16.9 2.5 25.1 26 31 A L E -A 4 0A 5 -22,-2.0 -22,-1.9 -2,-0.4 2,-0.8 -0.918 31.8-107.7-142.0 168.8 14.6 1.6 22.2 27 32 A T E -A 3 0A 24 13,-1.5 2,-1.9 -2,-0.3 13,-0.3 -0.841 31.2-137.3-101.4 101.3 13.9 1.9 18.5 28 33 A L + 0 0 24 -26,-1.8 -26,-0.4 -2,-0.8 3,-0.2 -0.413 29.2 175.5 -61.1 85.3 11.0 4.3 17.9 29 34 A L + 0 0 59 -2,-1.9 2,-0.3 9,-0.9 -1,-0.2 0.891 69.9 4.5 -58.2 -45.7 9.3 2.2 15.2 30 35 A N B +C 38 0B 56 8,-1.9 8,-2.9 -3,-0.2 -1,-0.3 -0.891 50.6 173.7-151.1 113.5 6.3 4.5 14.9 31 36 A S + 0 0 65 -2,-0.3 6,-0.1 -3,-0.2 -3,-0.0 -0.157 50.1 115.5-107.4 36.7 5.7 7.8 16.7 32 37 A T + 0 0 117 4,-0.1 2,-0.5 1,-0.1 -1,-0.1 0.391 60.7 69.5 -88.4 0.3 2.4 8.6 14.7 33 38 A N S > S- 0 0 71 3,-0.4 3,-0.7 -3,-0.2 -1,-0.1 -0.983 76.1-144.8-119.6 116.0 0.1 8.5 17.7 34 39 A K T 3 S+ 0 0 174 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.857 100.3 27.9 -44.6 -41.0 0.6 11.3 20.0 35 40 A D T 3 S+ 0 0 91 1,-0.2 15,-1.5 -3,-0.1 2,-0.4 0.478 121.1 52.4-104.5 -4.0 -0.2 9.1 23.1 36 41 A W E < - D 0 49B 83 -3,-0.7 -3,-0.4 13,-0.2 2,-0.3 -0.837 61.6-175.7-140.6 98.6 0.9 5.7 21.8 37 42 A W E - D 0 48B 64 11,-1.3 11,-2.2 -2,-0.4 2,-0.8 -0.723 23.4-133.6 -93.1 140.5 4.3 5.2 20.4 38 43 A K E -CD 30 47B 64 -8,-2.9 -8,-1.9 -2,-0.3 -9,-0.9 -0.892 31.8-171.8 -96.8 108.8 5.2 1.8 18.9 39 44 A V E - D 0 46B 0 7,-0.8 7,-1.2 -2,-0.8 2,-0.4 -0.441 20.1-136.4 -96.4 171.5 8.7 0.8 20.2 40 45 A E E - D 0 45B 52 -13,-0.3 -13,-1.5 5,-0.2 2,-0.5 -0.953 18.3-175.3-134.5 108.3 11.1 -2.1 19.4 41 46 A V E > - D 0 44B 33 3,-2.2 3,-2.0 -2,-0.4 -15,-0.1 -0.934 61.9 -49.1-106.4 131.5 12.9 -3.9 22.3 42 47 A D T 3 S- 0 0 158 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.218 122.9 -23.3 42.8-116.4 15.5 -6.5 21.4 43 48 A D T 3 S+ 0 0 158 2,-0.1 2,-0.3 -3,-0.0 -1,-0.3 -0.349 124.7 79.7-117.2 49.7 13.8 -8.7 18.8 44 49 A R E < -D 41 0B 161 -3,-2.0 -3,-2.2 2,-0.0 2,-0.2 -0.980 59.0-153.3-153.7 145.5 10.2 -7.9 19.8 45 50 A Q E +D 40 0B 111 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.563 25.6 136.0-112.9 176.1 7.8 -5.0 19.2 46 51 A G E -D 39 0B 6 -7,-1.2 -7,-0.8 -2,-0.2 2,-0.3 -0.933 47.1 -86.2 166.1-174.2 4.8 -3.6 21.0 47 52 A F E -D 38 0B 72 -2,-0.3 -9,-0.2 -9,-0.3 -11,-0.0 -0.824 32.4-172.9-119.2 155.5 3.3 -0.2 22.1 48 53 A I E -D 37 0B 0 -11,-2.2 -11,-1.3 -2,-0.3 5,-0.1 -0.969 39.0 -93.2-151.7 133.6 4.0 1.8 25.2 49 54 A P E > -D 36 0B 24 0, 0.0 3,-1.4 0, 0.0 -13,-0.2 -0.189 36.3-130.0 -47.1 132.7 2.4 4.9 26.6 50 55 A A T 3 S+ 0 0 22 -15,-1.5 -14,-0.1 1,-0.2 3,-0.0 0.351 101.8 69.3 -70.0 5.5 4.4 7.9 25.2 51 56 A A T 3 S+ 0 0 79 -16,-0.2 -1,-0.2 1,-0.2 -15,-0.0 0.405 94.5 56.1 -97.9 -10.4 4.7 9.5 28.7 52 57 A Y S < S+ 0 0 74 -3,-1.4 -45,-1.8 -45,-0.1 -44,-1.0 0.347 103.7 73.6 -95.6 -7.2 7.0 6.6 29.8 53 58 A L E -B 6 0A 8 -47,-0.2 2,-0.3 -46,-0.2 -47,-0.2 -0.821 59.7-164.9-113.5 157.5 9.4 7.4 26.8 54 59 A K E -B 5 0A 90 -49,-0.6 -49,-0.9 -2,-0.3 2,-0.3 -0.883 29.0 -87.7-139.2 166.2 11.9 10.1 25.8 55 60 A K E +B 4 0A 140 -2,-0.3 2,-0.3 -51,-0.2 -51,-0.2 -0.569 34.0 173.1 -77.3 127.4 14.0 11.6 22.9 56 61 A L E B 3 0A 59 -53,-1.7 -53,-1.6 -2,-0.3 -1,-0.0 -0.742 360.0 360.0-135.0 83.4 17.4 10.2 22.0 57 62 A D 0 0 194 -2,-0.3 -55,-0.1 -55,-0.1 -2,-0.1 -0.483 360.0 360.0 -96.7 360.0 18.7 11.8 18.9