==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CYTOSKELETON 19-MAY-93 1SHG . COMPND 2 MOLECULE: ALPHA-SPECTRIN SH3 DOMAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR M.NOBLE,R.PAUPTIT,A.MUSACCHIO,M.SARASTE,R.K.WIERENGA . 57 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3945.0 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 0 184 0, 0.0 28,-0.1 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 162.4 17.1 21.6 4.2 2 7 A E - 0 0 75 26,-0.2 26,-2.4 25,-0.1 2,-0.4 -0.100 360.0-152.4 -54.4 139.1 14.2 20.7 6.5 3 8 A L E -AB 27 56A 71 53,-0.9 53,-2.9 24,-0.2 2,-0.4 -0.938 9.2-166.2-112.3 149.6 14.3 22.4 9.8 4 9 A V E -AB 26 55A 0 22,-2.8 22,-3.4 -2,-0.4 2,-0.5 -0.961 16.5-130.9-132.2 157.5 12.9 21.2 13.1 5 10 A L E -AB 25 54A 49 49,-3.2 49,-2.1 -2,-0.4 2,-0.4 -0.893 23.5-121.7-103.7 137.6 12.3 23.0 16.3 6 11 A A E - B 0 53A 2 18,-3.1 17,-2.6 -2,-0.5 47,-0.2 -0.515 23.5-173.0 -74.5 116.4 13.4 21.4 19.6 7 12 A L + 0 0 55 45,-3.1 2,-0.3 -2,-0.4 -1,-0.2 0.734 67.8 14.3 -83.2 -21.0 10.4 21.0 21.7 8 13 A Y S S- 0 0 126 44,-0.9 -1,-0.2 13,-0.1 16,-0.1 -0.976 86.3 -90.0-145.9 160.4 12.4 19.8 24.8 9 14 A D - 0 0 81 -2,-0.3 2,-0.3 12,-0.2 12,-0.3 -0.394 42.5-171.7 -65.4 145.5 15.8 19.6 26.2 10 15 A Y B -F 20 0B 18 10,-3.0 10,-2.6 -2,-0.1 2,-0.5 -0.889 10.4-161.3-147.2 117.8 17.6 16.4 25.3 11 16 A Q - 0 0 94 -2,-0.3 8,-0.2 8,-0.2 7,-0.1 -0.828 32.2-110.9-101.0 131.3 20.9 15.2 26.6 12 17 A E + 0 0 61 -2,-0.5 7,-0.1 1,-0.1 36,-0.1 -0.244 33.2 178.7 -62.9 146.3 22.6 12.7 24.6 13 18 A K + 0 0 149 5,-0.1 -1,-0.1 1,-0.1 6,-0.0 0.312 61.6 36.9-125.7 6.2 22.9 9.2 26.2 14 19 A S S > S- 0 0 32 1,-0.1 3,-2.1 4,-0.0 -1,-0.1 -0.967 88.0 -95.7-154.9 162.2 24.7 7.2 23.5 15 20 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.807 120.1 45.5 -55.0 -36.6 27.4 7.5 21.0 16 21 A R T 3 S+ 0 0 158 30,-0.1 31,-2.8 2,-0.0 2,-0.2 0.358 97.6 95.3 -91.1 3.3 25.3 8.3 18.1 17 22 A E B < -c 47 0A 10 -3,-2.1 2,-0.3 29,-0.3 31,-0.2 -0.575 56.9-151.7 -92.5 159.4 23.1 10.8 19.9 18 23 A V - 0 0 2 29,-2.3 2,-0.4 -2,-0.2 -5,-0.1 -0.881 16.4-121.0-123.3 164.0 23.3 14.6 20.1 19 24 A T + 0 0 55 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.2 -0.821 32.5 174.9 -99.4 147.5 22.3 17.0 22.8 20 25 A M B -F 10 0B 3 -10,-2.6 -10,-3.0 -2,-0.4 2,-0.4 -0.954 20.9-133.3-144.1 163.8 19.8 19.8 22.1 21 26 A K > - 0 0 138 -2,-0.3 3,-2.7 -12,-0.3 -15,-0.3 -0.919 39.3 -89.1-118.1 146.3 18.0 22.5 24.0 22 27 A K T 3 S+ 0 0 137 -2,-0.4 -15,-0.2 1,-0.3 3,-0.1 -0.133 116.2 25.6 -50.3 130.0 14.4 23.5 23.9 23 28 A G T 3 S+ 0 0 46 -17,-2.6 -1,-0.3 1,-0.3 -16,-0.1 0.287 85.9 142.1 90.3 -9.3 13.9 26.1 21.2 24 29 A D < - 0 0 53 -3,-2.7 -18,-3.1 -16,-0.1 2,-0.6 -0.353 48.3-138.2 -59.0 142.3 16.9 25.0 19.1 25 30 A I E -A 5 0A 96 -20,-0.2 17,-0.4 -3,-0.1 2,-0.3 -0.913 29.6-171.5-104.6 114.5 16.4 25.1 15.4 26 31 A L E -A 4 0A 0 -22,-3.4 -22,-2.8 -2,-0.6 2,-0.5 -0.789 25.5-121.8-110.1 157.7 17.9 22.0 14.0 27 32 A T E -AD 3 40A 30 13,-1.9 13,-2.0 -2,-0.3 2,-0.5 -0.839 29.9-130.9 -96.2 123.3 18.6 20.8 10.4 28 33 A L E + D 0 39A 10 -26,-2.4 11,-0.3 -2,-0.5 -26,-0.2 -0.681 30.1 173.6 -76.9 120.5 16.9 17.5 9.8 29 34 A L E - 0 0 59 9,-3.0 2,-0.3 -2,-0.5 10,-0.2 0.795 67.4 -2.1 -93.5 -42.0 19.3 15.0 8.2 30 35 A N E + D 0 38A 72 8,-2.1 8,-2.4 1,-0.1 -1,-0.3 -0.892 47.9 172.8-156.9 126.6 17.2 11.8 8.1 31 36 A S + 0 0 44 -2,-0.3 6,-0.1 6,-0.2 -1,-0.1 -0.055 47.5 114.4-122.6 28.8 13.8 11.1 9.3 32 37 A T + 0 0 127 4,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.812 63.1 75.8 -67.3 -33.7 13.3 7.5 7.9 33 38 A N S S- 0 0 77 3,-0.4 17,-0.0 -3,-0.2 5,-0.0 -0.637 76.5-142.3 -79.6 134.6 13.2 6.0 11.4 34 39 A K S S+ 0 0 164 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.813 95.5 30.6 -70.5 -21.9 9.9 6.5 13.3 35 40 A D S S+ 0 0 77 1,-0.3 15,-2.0 15,-0.1 16,-0.5 0.770 117.6 43.6-106.4 -30.1 11.5 7.0 16.6 36 41 A W E - E 0 49A 76 13,-0.3 -3,-0.4 14,-0.1 2,-0.4 -0.987 61.6-163.7-126.1 124.8 14.9 8.5 16.1 37 42 A W E - E 0 48A 39 11,-2.6 11,-1.8 -2,-0.4 2,-0.5 -0.840 17.1-133.0-110.0 138.5 15.8 11.4 13.8 38 43 A K E +DE 30 47A 63 -8,-2.4 -9,-3.0 -2,-0.4 -8,-2.1 -0.797 38.3 164.9 -90.9 129.2 19.2 12.4 12.7 39 44 A V E -DE 28 46A 0 7,-2.7 7,-2.3 -2,-0.5 2,-0.5 -0.804 37.9-121.4-134.7 170.9 19.9 16.1 12.9 40 45 A E E -DE 27 45A 57 -13,-2.0 -13,-1.9 -2,-0.3 2,-0.6 -0.990 20.6-163.0-122.3 125.7 22.6 18.7 12.9 41 46 A V E > - E 0 44A 16 3,-3.5 3,-4.1 -2,-0.5 2,-0.7 -0.995 65.6 -61.4-125.3 107.0 22.8 20.9 16.1 42 47 A N T 3 S- 0 0 149 -2,-0.6 -15,-0.1 -17,-0.4 -2,-0.0 -0.276 126.8 -11.3 43.4 -90.1 24.8 23.8 15.2 43 48 A D T 3 S+ 0 0 112 -2,-0.7 2,-0.4 -3,-0.1 -1,-0.3 0.201 120.7 83.1-108.5 -10.3 27.9 21.9 14.4 44 49 A R E < - E 0 41A 108 -3,-4.1 -3,-3.5 -25,-0.1 2,-0.4 -0.923 57.5-155.1-108.6 149.0 27.2 18.4 15.6 45 50 A Q E + E 0 40A 102 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.931 38.0 98.0-116.0 145.9 25.2 15.5 13.8 46 51 A G E - E 0 39A 2 -7,-2.3 -7,-2.7 -2,-0.4 -29,-0.3 -0.994 62.4 -49.2 165.8-175.7 23.4 12.6 15.5 47 52 A F E +cE 17 38A 56 -31,-2.8 -29,-2.3 -2,-0.3 -9,-0.2 -0.607 37.6 169.1 -95.0 145.2 20.1 11.2 16.7 48 53 A V E - E 0 37A 0 -11,-1.8 -11,-2.6 -2,-0.2 2,-0.2 -0.935 50.5 -80.1-132.0 159.9 17.4 12.7 18.9 49 54 A P E > - E 0 36A 16 0, 0.0 3,-2.0 0, 0.0 -13,-0.3 -0.431 33.5-136.8 -63.5 129.0 13.9 11.3 19.6 50 55 A A G > S+ 0 0 15 -15,-2.0 3,-1.1 1,-0.3 -14,-0.1 0.760 101.4 61.6 -52.4 -35.4 11.5 12.1 16.7 51 56 A A G 3 S+ 0 0 76 -16,-0.5 -1,-0.3 1,-0.2 -15,-0.1 0.681 93.5 59.5 -72.8 -17.3 8.9 13.0 19.3 52 57 A Y G < S+ 0 0 89 -3,-2.0 -45,-3.1 -45,-0.1 -44,-0.9 0.398 100.5 69.6 -91.7 8.2 10.8 15.8 20.8 53 58 A V E < -B 6 0A 11 -3,-1.1 2,-0.4 -47,-0.2 -47,-0.2 -0.918 63.6-149.8-124.0 153.7 11.0 17.7 17.6 54 59 A K E -B 5 0A 107 -49,-2.1 -49,-3.2 -2,-0.3 2,-0.1 -0.993 20.4-127.8-125.5 122.3 8.7 19.6 15.4 55 60 A K E -B 4 0A 82 -2,-0.4 2,-0.5 -51,-0.3 -51,-0.2 -0.396 14.9-158.6 -61.2 130.7 9.1 19.9 11.6 56 61 A L E B 3 0A 62 -53,-2.9 -53,-0.9 -2,-0.1 -1,-0.0 -0.971 360.0 360.0-111.5 106.4 8.9 23.5 10.2 57 62 A D 0 0 215 -2,-0.5 -55,-0.0 -55,-0.1 -53,-0.0 -0.784 360.0 360.0 -95.3 360.0 8.0 23.2 6.5