==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SH3-DOMAIN 17-AUG-00 1E6H . COMPND 2 MOLECULE: SPECTRIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR M.C.VEGA,L.SERRANO . 61 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4247.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 37 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 37.7 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 1.6 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 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 8.2 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 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 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 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 2 A D 0 0 111 0, 0.0 32,-0.1 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0-153.2 10.8 4.2 4.8 2 3 A E - 0 0 117 1,-0.1 3,-0.1 29,-0.1 31,-0.1 0.718 360.0 -9.7 26.3 44.9 7.5 4.3 6.8 3 4 A T S S+ 0 0 108 1,-0.3 2,-0.1 3,-0.2 -1,-0.1 0.800 129.5 48.8 101.6 79.2 8.1 0.6 7.4 4 5 A G S S+ 0 0 32 2,-0.3 2,-0.7 28,-0.0 -1,-0.3 -0.373 83.9 33.1 136.7 145.7 10.9 -0.7 5.3 5 6 A K S S+ 0 0 186 -2,-0.1 2,-0.4 -3,-0.1 -3,-0.0 -0.796 101.6 48.0 93.7-104.2 14.5 0.0 4.2 6 7 A E S S- 0 0 80 -2,-0.7 26,-3.5 26,-0.3 -2,-0.3 -0.600 70.4-178.4 -77.5 123.5 16.5 1.7 7.1 7 8 A L E -AB 31 60A 63 53,-0.6 53,-2.5 -2,-0.4 2,-0.3 -0.831 10.6-159.1-120.3 155.8 16.1 -0.2 10.4 8 9 A V E -AB 30 59A 0 22,-2.4 22,-2.8 -2,-0.3 2,-0.5 -0.990 16.5-131.2-139.5 144.6 17.4 0.5 13.9 9 10 A L E -AB 29 58A 50 49,-2.8 49,-2.2 -2,-0.3 2,-0.7 -0.831 28.1-126.4 -94.6 121.0 17.9 -1.7 17.0 10 11 A V E - B 0 57A 2 18,-2.9 17,-3.0 -2,-0.5 47,-0.3 -0.629 22.9-170.7 -72.3 114.1 16.5 -0.0 20.2 11 12 A L + 0 0 54 45,-1.6 2,-0.3 -2,-0.7 46,-0.2 0.793 66.0 6.6 -75.0 -33.2 19.4 0.0 22.7 12 13 A Y S S- 0 0 126 44,-0.9 -1,-0.2 13,-0.1 12,-0.1 -0.990 85.1 -90.6-149.4 156.1 17.4 1.1 25.8 13 14 A D - 0 0 103 -2,-0.3 2,-0.4 -3,-0.1 12,-0.2 -0.306 42.8-163.0 -62.5 151.5 13.8 1.7 26.8 14 15 A Y B -F 24 0B 10 10,-2.5 10,-1.5 38,-0.0 2,-0.5 -0.977 11.8-155.7-145.3 127.9 12.6 5.2 26.2 15 16 A Q - 0 0 131 -2,-0.4 8,-0.1 8,-0.2 7,-0.1 -0.894 32.4-112.2-101.3 126.4 9.6 7.0 27.6 16 17 A E + 0 0 68 -2,-0.5 7,-0.1 1,-0.1 36,-0.1 -0.245 34.9 175.3 -57.7 146.1 8.4 10.0 25.6 17 18 A K + 0 0 162 1,-0.2 -1,-0.1 5,-0.1 6,-0.0 0.568 61.0 45.4-125.4 -24.4 8.8 13.4 27.2 18 19 A S S > S- 0 0 38 4,-0.1 3,-2.0 1,-0.0 -1,-0.2 -0.814 87.9-108.7-120.7 159.3 7.6 16.0 24.5 19 20 A P T 3 S+ 0 0 144 0, 0.0 -3,-0.0 0, 0.0 -1,-0.0 0.705 120.2 56.5 -63.0 -13.9 4.5 15.9 22.3 20 21 A R T 3 S+ 0 0 153 30,-0.1 31,-2.3 2,-0.0 2,-0.2 0.380 95.5 88.6 -96.6 4.3 6.9 15.2 19.4 21 22 A E B < -c 51 0A 7 -3,-2.0 2,-0.3 29,-0.2 31,-0.2 -0.580 58.3-153.2-102.7 163.8 8.4 12.1 21.0 22 23 A V - 0 0 3 29,-2.0 2,-0.5 -2,-0.2 -5,-0.1 -0.897 20.2-115.7-131.4 158.0 7.4 8.4 21.0 23 24 A T - 0 0 30 -2,-0.3 2,-0.3 -8,-0.1 -8,-0.2 -0.865 32.2-170.7 -98.0 131.3 8.0 5.6 23.5 24 25 A I B -F 14 0B 1 -10,-1.5 -10,-2.5 -2,-0.5 2,-0.4 -0.901 17.3-131.3-125.2 149.5 10.2 2.6 22.5 25 26 A K > - 0 0 127 -2,-0.3 3,-1.5 -12,-0.2 -15,-0.2 -0.792 32.3-107.4 -97.7 139.7 11.0 -0.8 23.9 26 27 A K T 3 S+ 0 0 137 -2,-0.4 -15,-0.2 1,-0.2 3,-0.1 -0.335 104.5 28.5 -62.9 143.4 14.6 -2.1 24.2 27 28 A G T 3 S+ 0 0 50 -17,-3.0 -1,-0.2 1,-0.3 2,-0.2 0.499 87.9 133.7 83.4 1.6 15.4 -4.8 21.8 28 29 A D < - 0 0 69 -3,-1.5 -18,-2.9 -18,-0.1 2,-0.6 -0.604 49.9-142.0 -85.9 147.5 12.9 -3.6 19.1 29 30 A I E +A 9 0A 93 -20,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.970 34.0 174.8-107.4 118.0 13.9 -3.4 15.4 30 31 A L E -A 8 0A 15 -22,-2.8 -22,-2.4 -2,-0.6 2,-0.3 -0.866 36.5 -95.6-128.2 162.1 12.2 -0.3 13.9 31 32 A T E -AD 7 44A 10 13,-0.5 13,-1.7 -2,-0.3 2,-0.7 -0.543 32.8-140.6 -75.3 127.0 12.1 1.7 10.7 32 33 A L E + D 0 43A 0 -26,-3.5 -26,-0.3 -2,-0.3 11,-0.2 -0.853 24.2 176.2 -90.4 115.9 14.4 4.7 10.8 33 34 A L E + 0 0 29 9,-2.1 2,-0.3 -2,-0.7 10,-0.2 0.751 66.8 5.4 -92.3 -29.5 12.5 7.6 9.1 34 35 A N E + D 0 42A 67 8,-1.5 8,-2.0 1,-0.1 -1,-0.3 -0.816 49.1 168.3-162.4 115.1 15.0 10.4 9.5 35 36 A S + 0 0 33 -2,-0.3 6,-0.1 6,-0.2 -1,-0.1 0.044 49.7 109.4-114.7 25.8 18.6 10.4 10.9 36 37 A T + 0 0 127 4,-0.1 2,-0.4 3,-0.0 -1,-0.1 0.870 62.6 74.4 -71.7 -35.7 19.6 13.9 9.8 37 38 A N S S- 0 0 82 3,-0.5 -3,-0.0 -3,-0.2 17,-0.0 -0.658 79.1-139.0 -82.2 132.2 19.7 15.4 13.3 38 39 A K S S+ 0 0 171 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.820 97.3 25.1 -55.3 -41.6 22.7 14.2 15.4 39 40 A D S S+ 0 0 94 1,-0.2 15,-2.2 15,-0.1 2,-0.5 0.633 119.9 51.6-101.6 -22.2 20.8 13.8 18.7 40 41 A W E - E 0 53A 72 13,-0.2 -3,-0.5 14,-0.1 2,-0.3 -0.938 59.2-177.0-129.2 118.0 17.2 13.1 17.6 41 42 A W E - E 0 52A 33 11,-1.5 11,-1.5 -2,-0.5 2,-0.4 -0.833 22.5-131.1-110.7 144.7 16.0 10.5 15.1 42 43 A K E +DE 34 51A 62 -8,-2.0 -9,-2.1 -2,-0.3 -8,-1.5 -0.732 35.6 166.9 -92.2 138.7 12.5 9.9 13.8 43 44 A I E -DE 32 50A 0 7,-2.3 7,-1.7 -2,-0.4 2,-0.4 -0.882 32.4-116.5-143.4 171.6 11.4 6.3 13.8 44 45 A E E +DE 31 49A 35 -13,-1.7 -13,-0.5 -2,-0.3 2,-0.4 -0.963 27.9 172.9-118.3 135.6 8.2 4.3 13.5 45 46 A V E > - E 0 48A 5 3,-2.3 3,-2.0 -2,-0.4 -22,-0.1 -0.957 65.2 -41.3-140.3 122.6 6.8 2.1 16.3 46 47 A N T 3 S- 0 0 144 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.383 126.7 -22.7 56.3-130.1 3.4 0.4 15.9 47 48 A D T 3 S+ 0 0 149 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.038 121.4 95.5-101.6 36.3 1.2 3.1 14.3 48 49 A R E < - E 0 45A 92 -3,-2.0 -3,-2.3 2,-0.0 2,-0.4 -0.915 49.6-167.3-130.2 151.4 3.3 6.0 15.4 49 50 A Q E + E 0 44A 63 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.992 36.1 113.1-133.0 135.5 6.1 8.1 14.1 50 51 A G E - E 0 43A 4 -7,-1.7 -7,-2.3 -2,-0.4 -29,-0.2 -0.968 56.7 -67.8 177.5 178.6 8.1 10.4 16.3 51 52 A F E +cE 21 42A 65 -31,-2.3 -29,-2.0 -2,-0.3 -9,-0.2 -0.487 37.9 162.8 -93.9 155.9 11.5 11.2 17.8 52 53 A V E - E 0 41A 0 -11,-1.5 -11,-1.5 -31,-0.2 2,-0.2 -0.873 52.9 -62.0-153.1 172.5 13.6 9.4 20.4 53 54 A P E > - E 0 40A 17 0, 0.0 3,-1.2 0, 0.0 -13,-0.2 -0.487 32.8-144.6 -70.1 137.3 17.3 9.7 21.3 54 55 A A G > S+ 0 0 12 -15,-2.2 3,-1.4 1,-0.3 -14,-0.1 0.854 102.1 59.8 -65.4 -36.9 19.7 8.8 18.6 55 56 A A G 3 S+ 0 0 77 -16,-0.4 -1,-0.3 1,-0.3 -15,-0.1 0.586 97.5 61.4 -67.9 -12.3 22.0 7.3 21.3 56 57 A Y G < S+ 0 0 79 -3,-1.2 -45,-1.6 -45,-0.1 -44,-0.9 0.135 102.5 59.6 -98.5 13.7 19.2 4.9 22.2 57 58 A L E < -B 10 0A 10 -3,-1.4 2,-0.4 -47,-0.3 -47,-0.2 -0.985 66.7-149.5-142.0 148.0 19.2 3.3 18.8 58 59 A K E -B 9 0A 119 -49,-2.2 -49,-2.8 -2,-0.3 2,-0.5 -0.964 25.6-123.6-120.2 132.7 21.8 1.5 16.7 59 60 A K E -B 8 0A 67 -2,-0.4 2,-0.9 -51,-0.2 -51,-0.2 -0.693 21.2-139.2 -79.5 125.4 21.6 1.7 12.9 60 61 A L E B 7 0A 66 -53,-2.5 -53,-0.6 -2,-0.5 -1,-0.0 -0.772 360.0 360.0 -91.0 105.1 21.3 -1.7 11.3 61 62 A D 0 0 193 -2,-0.9 -55,-0.0 -55,-0.1 -53,-0.0 -0.778 360.0 360.0-151.2 360.0 23.5 -1.8 8.2