==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SH3-DOMAIN 14-JUL-98 1BK2 . COMPND 2 MOLECULE: A-SPECTRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR J.C.MARTINEZ,M.T.PISABARRO,L.SERRANO . 57 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3831.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 37 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 40.4 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 . 6 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 8.8 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+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 6 A K 0 0 154 0, 0.0 28,-0.1 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0-132.8 33.4 19.2 20.5 2 7 A E - 0 0 55 26,-0.3 26,-2.3 25,-0.1 2,-0.4 0.008 360.0-113.0 -77.4-177.3 36.2 20.7 18.4 3 8 A L E -AB 27 56A 76 53,-1.2 53,-2.8 24,-0.2 2,-0.3 -0.924 26.9-161.2-119.9 145.0 36.0 22.6 15.1 4 9 A V E -AB 26 55A 0 22,-2.7 22,-2.9 -2,-0.4 2,-0.6 -0.978 14.7-131.7-129.5 145.6 37.4 21.2 11.8 5 10 A L E -AB 25 54A 50 49,-3.4 49,-1.3 -2,-0.3 2,-0.5 -0.855 21.6-130.1 -98.8 121.7 38.3 22.9 8.6 6 11 A A E - B 0 53A 1 18,-2.9 17,-3.2 -2,-0.6 47,-0.2 -0.550 21.7-172.1 -69.7 115.7 36.9 21.3 5.4 7 12 A L + 0 0 46 45,-3.1 2,-0.3 -2,-0.5 46,-0.2 0.601 68.5 15.5 -85.7 -16.1 40.0 21.0 3.1 8 13 A Y S S- 0 0 126 44,-0.7 2,-0.2 13,-0.1 16,-0.1 -0.930 87.0 -96.6-147.5 164.7 38.0 19.9 0.1 9 14 A D - 0 0 108 -2,-0.3 2,-0.3 12,-0.2 12,-0.3 -0.612 40.7-174.7 -81.7 151.7 34.4 19.8 -1.1 10 15 A Y B -F 20 0B 19 10,-3.2 10,-3.1 -2,-0.2 2,-0.4 -0.901 13.8-157.5-154.8 118.5 32.6 16.5 -0.5 11 16 A Q - 0 0 142 -2,-0.3 8,-0.2 8,-0.2 7,-0.1 -0.843 36.2-103.2 -95.8 131.7 29.1 15.5 -1.5 12 17 A E + 0 0 69 -2,-0.4 7,-0.1 1,-0.1 -1,-0.1 -0.165 34.8 179.7 -53.9 143.7 27.4 12.7 0.5 13 18 A K + 0 0 149 1,-0.2 -1,-0.1 5,-0.1 6,-0.0 0.364 65.5 40.9-127.1 3.4 27.4 9.3 -1.2 14 19 A S S > S- 0 0 26 4,-0.0 3,-2.0 1,-0.0 -1,-0.2 -0.976 88.0-106.0-147.9 157.4 25.6 7.2 1.4 15 20 A P T 3 S+ 0 0 135 0, 0.0 -3,-0.0 0, 0.0 -1,-0.0 0.734 117.4 53.2 -64.3 -22.4 22.7 7.8 3.8 16 21 A R T 3 S+ 0 0 124 30,-0.1 31,-2.3 2,-0.0 2,-0.1 0.505 97.8 92.0 -88.5 -1.2 24.9 8.2 6.9 17 22 A E B < -c 47 0A 11 -3,-2.0 2,-0.3 29,-0.3 31,-0.2 -0.314 60.1-149.7 -93.5 167.0 27.0 10.9 5.2 18 23 A V - 0 0 1 29,-2.1 2,-0.4 28,-0.1 -5,-0.1 -0.939 16.9-121.2-132.3 154.1 26.8 14.7 5.0 19 24 A T + 0 0 48 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.2 -0.822 32.2 172.9 -96.2 137.9 27.9 17.2 2.3 20 25 A M B -F 10 0B 4 -10,-3.1 -10,-3.2 -2,-0.4 2,-0.3 -0.955 23.3-133.8-140.9 164.1 30.4 20.0 2.8 21 26 A K > - 0 0 142 -2,-0.3 3,-2.0 -12,-0.3 -15,-0.2 -0.860 39.8 -91.2-115.0 151.1 32.3 22.7 0.9 22 27 A K T 3 S+ 0 0 129 -2,-0.3 -15,-0.2 1,-0.3 -13,-0.1 -0.261 115.0 30.2 -59.0 142.5 36.0 23.5 1.1 23 28 A G T 3 S+ 0 0 46 -17,-3.2 -1,-0.3 1,-0.3 -16,-0.1 0.190 87.6 141.6 90.4 -19.1 36.6 26.2 3.7 24 29 A D < - 0 0 39 -3,-2.0 -18,-2.9 -16,-0.1 2,-0.6 -0.255 47.9-139.7 -57.1 137.9 33.6 25.1 5.8 25 30 A I E -A 5 0A 94 -20,-0.2 2,-0.3 -3,-0.1 -20,-0.2 -0.909 28.8-174.7-104.8 118.6 34.0 25.2 9.6 26 31 A L E -A 4 0A 0 -22,-2.9 -22,-2.7 -2,-0.6 2,-0.5 -0.886 27.1-119.1-117.2 153.8 32.4 22.1 11.0 27 32 A T E -AD 3 40A 46 13,-1.9 13,-1.4 -2,-0.3 2,-0.9 -0.805 30.0-128.6 -90.4 123.8 31.7 20.9 14.5 28 33 A L E + D 0 39A 0 -26,-2.3 -26,-0.3 -2,-0.5 11,-0.2 -0.636 33.6 169.6 -78.8 107.3 33.5 17.6 15.3 29 34 A L E + 0 0 57 9,-2.4 2,-0.3 -2,-0.9 10,-0.2 0.907 66.9 5.0 -82.7 -46.2 30.9 15.2 16.7 30 35 A N E + D 0 38A 60 8,-1.8 8,-2.2 1,-0.1 -1,-0.3 -0.941 48.6 167.7-147.0 124.9 32.9 11.9 16.7 31 36 A S + 0 0 27 -2,-0.3 -1,-0.1 6,-0.2 6,-0.1 0.153 47.6 110.4-121.5 21.9 36.4 11.1 15.8 32 37 A T + 0 0 128 2,-0.0 2,-0.4 1,-0.0 -1,-0.1 0.803 66.7 76.3 -65.7 -29.8 36.8 7.5 17.0 33 38 A N S S- 0 0 77 3,-0.4 17,-0.1 -3,-0.1 -3,-0.0 -0.742 72.4-146.9 -91.7 131.4 37.0 6.1 13.4 34 39 A K S S+ 0 0 175 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.644 96.1 33.3 -67.2 -20.5 40.2 6.6 11.4 35 40 A D S S+ 0 0 90 1,-0.3 15,-2.3 15,-0.1 16,-0.5 0.807 120.0 36.4-108.9 -34.5 38.5 6.9 8.2 36 41 A W E - E 0 49A 67 13,-0.3 -3,-0.4 14,-0.1 2,-0.4 -0.960 60.2-167.1-123.7 133.9 35.2 8.7 8.8 37 42 A W E - E 0 48A 42 11,-2.1 11,-1.3 -2,-0.4 2,-0.6 -0.979 22.8-127.4-120.1 137.3 34.5 11.5 11.3 38 43 A K E +DE 30 47A 77 -8,-2.2 -9,-2.4 -2,-0.4 -8,-1.8 -0.773 39.7 172.1 -87.0 121.8 30.9 12.6 12.2 39 44 A V E -DE 28 46A 0 7,-2.6 7,-1.4 -2,-0.6 2,-0.4 -0.740 31.0-126.4-124.0 173.4 30.6 16.3 11.8 40 45 A E E +DE 27 45A 74 -13,-1.4 -13,-1.9 -2,-0.2 2,-0.3 -0.997 30.1 164.3-127.2 124.9 27.9 19.0 11.9 41 46 A V E > - E 0 44A 7 3,-2.3 3,-2.9 -2,-0.4 -15,-0.1 -0.972 68.6 -23.5-134.6 140.9 27.4 21.5 9.0 42 47 A N T 3 S- 0 0 143 -2,-0.3 3,-0.1 1,-0.3 -16,-0.0 0.651 126.6 -41.6 17.1 59.5 24.3 23.7 8.5 43 48 A G T 3 S+ 0 0 73 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.224 119.3 99.6 87.6 -16.2 21.8 21.6 10.4 44 49 A R E < - E 0 41A 98 -3,-2.9 -3,-2.3 -25,-0.1 2,-0.3 -0.861 48.7-168.9-109.4 136.6 22.9 18.2 9.2 45 50 A Q E + E 0 40A 100 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.802 32.6 109.3-113.1 162.6 25.2 15.7 11.0 46 51 A G E - E 0 39A 4 -7,-1.4 -7,-2.6 -2,-0.3 -29,-0.3 -0.924 61.4 -55.2 157.0-176.9 26.7 12.7 9.4 47 52 A F E +cE 17 38A 48 -31,-2.3 -29,-2.1 -2,-0.3 -9,-0.2 -0.584 38.2 170.3 -99.8 153.7 30.1 11.3 8.2 48 53 A V E - E 0 37A 0 -11,-1.3 -11,-2.1 -2,-0.2 2,-0.3 -0.921 51.7 -74.0-144.5 161.0 32.7 12.6 5.8 49 54 A P E > - E 0 36A 14 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.502 35.0-138.3 -66.6 131.3 36.2 11.3 5.2 50 55 A A G > S+ 0 0 12 -15,-2.3 3,-1.0 -2,-0.3 -14,-0.1 0.787 101.5 60.0 -56.1 -33.1 38.6 12.2 8.0 51 56 A A G 3 S+ 0 0 74 -16,-0.5 -1,-0.3 1,-0.2 -15,-0.1 0.476 97.3 59.3 -76.6 -7.5 41.3 13.0 5.5 52 57 A Y G < S+ 0 0 92 -3,-2.2 -45,-3.1 -45,-0.0 -44,-0.7 0.525 103.1 59.1 -96.8 -9.8 39.2 15.7 3.9 53 58 A V E < -B 6 0A 9 -3,-1.0 2,-0.4 -4,-0.4 -47,-0.2 -0.768 67.5-149.2-114.6 164.1 38.9 17.7 7.2 54 59 A K E -B 5 0A 109 -49,-1.3 -49,-3.4 -2,-0.3 2,-0.2 -0.999 19.3-119.9-136.2 132.4 41.5 19.3 9.6 55 60 A K E -B 4 0A 74 -2,-0.4 2,-0.6 -51,-0.3 -51,-0.2 -0.480 12.1-161.0 -71.6 137.4 41.3 19.8 13.3 56 61 A L E B 3 0A 66 -53,-2.8 -53,-1.2 -2,-0.2 -2,-0.0 -0.997 360.0 360.0-114.2 112.9 41.5 23.4 14.8 57 62 A D 0 0 194 -2,-0.6 -1,-0.2 -55,-0.1 -54,-0.0 0.954 360.0 360.0 -88.4 360.0 42.4 22.5 18.4