==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER KINASE 19-MAY-95 1ABQ . COMPND 2 MOLECULE: ABL TYROSINE KINASE SRC-HOMOLOGY 3 (SH3) DOMAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.MUSACCHIO,M.WILMANNS,M.SARASTE . 56 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3528.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 55.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 37.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.8 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 . 3 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 7.1 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 2 0 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 1 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 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 65 A L 0 0 101 0, 0.0 2,-0.3 0, 0.0 24,-0.2 0.000 360.0 360.0 360.0 175.8 7.9 9.0 16.2 2 66 A F E -A 24 0A 34 22,-1.4 22,-2.0 20,-0.0 2,-0.3 -0.945 360.0-148.0-140.6 154.2 10.5 11.1 18.2 3 67 A V E -AB 23 53A 22 50,-1.3 50,-2.2 -2,-0.3 2,-0.4 -0.941 18.5-115.0-131.2 148.0 11.0 11.3 21.9 4 68 A A E - B 0 52A 1 18,-1.5 17,-4.1 -2,-0.3 48,-0.2 -0.698 19.7-173.1 -82.6 130.9 12.2 14.2 24.1 5 69 A L S S+ 0 0 63 46,-2.9 2,-0.3 -2,-0.4 15,-0.1 0.729 70.2 15.7 -93.6 -28.3 15.5 13.8 25.9 6 70 A Y S S- 0 0 128 45,-0.8 2,-0.3 13,-0.1 -1,-0.2 -0.946 84.5 -93.7-142.1 165.2 15.4 17.0 28.1 7 71 A D - 0 0 99 -2,-0.3 2,-0.4 12,-0.1 12,-0.2 -0.582 34.1-167.4 -82.9 140.5 12.9 19.6 29.3 8 72 A F B -C 18 0B 26 10,-2.6 10,-1.9 -2,-0.3 2,-0.5 -0.998 9.1-153.3-133.7 118.2 12.5 22.8 27.2 9 73 A V - 0 0 121 -2,-0.4 2,-0.2 8,-0.2 8,-0.1 -0.863 29.6-115.3 -92.8 124.6 10.6 25.8 28.5 10 74 A A + 0 0 39 -2,-0.5 7,-0.1 1,-0.1 3,-0.1 -0.422 45.1 161.6 -61.6 127.6 9.1 27.9 25.7 11 75 A S - 0 0 102 1,-0.5 2,-0.2 -2,-0.2 3,-0.1 0.650 51.9 -34.7-109.9 -92.9 10.6 31.4 25.5 12 76 A G S S+ 0 0 41 1,-0.1 -1,-0.5 2,-0.1 3,-0.3 -0.548 102.8 69.2-122.8-171.8 10.3 33.4 22.3 13 77 A D S S- 0 0 95 1,-0.2 33,-0.3 -2,-0.2 -1,-0.1 0.825 119.8 -79.1 65.1 35.3 10.3 32.6 18.6 14 78 A N S S+ 0 0 114 -3,-0.1 32,-1.4 31,-0.1 -1,-0.2 0.901 80.6 172.4 29.7 64.2 6.9 30.9 19.2 15 79 A T B -d 46 0C 19 -3,-0.3 2,-0.3 30,-0.2 32,-0.2 -0.181 26.9-125.1 -84.9 177.5 8.5 27.8 20.6 16 80 A L - 0 0 24 30,-1.4 2,-0.4 29,-0.2 -5,-0.1 -0.943 18.1-118.1-127.4 151.4 6.7 24.9 22.3 17 81 A S - 0 0 62 -2,-0.3 2,-0.3 -8,-0.1 -8,-0.2 -0.759 34.2-178.2 -92.0 140.0 7.3 23.4 25.8 18 82 A I B -C 8 0B 6 -10,-1.9 -10,-2.6 -2,-0.4 2,-0.3 -0.985 14.1-149.8-140.4 144.9 8.4 19.8 26.0 19 83 A T > - 0 0 76 -2,-0.3 3,-1.5 -12,-0.2 -15,-0.3 -0.787 38.4 -81.2-112.3 157.6 9.1 17.3 28.8 20 84 A K T 3 S+ 0 0 150 -2,-0.3 -15,-0.2 1,-0.2 -1,-0.1 -0.246 112.2 16.5 -60.9 142.9 11.6 14.4 28.9 21 85 A G T 3 S+ 0 0 49 -17,-4.1 -1,-0.2 1,-0.2 -16,-0.1 0.529 92.2 150.7 72.3 8.2 10.5 11.1 27.4 22 86 A E < - 0 0 31 -3,-1.5 -18,-1.5 -18,-0.1 2,-0.6 -0.382 46.1-125.4 -76.3 146.4 7.7 12.9 25.5 23 87 A K E +A 3 0A 79 -20,-0.2 18,-0.3 -2,-0.1 2,-0.3 -0.852 38.7 162.7 -94.7 125.0 6.4 11.7 22.1 24 88 A L E -A 2 0A 1 -22,-2.0 -22,-1.4 -2,-0.6 2,-0.5 -0.888 31.4-134.5-138.1 157.3 6.4 14.3 19.3 25 89 A R E -E 39 0C 100 14,-2.1 14,-1.1 -2,-0.3 2,-0.4 -0.982 20.7-137.0-120.7 121.6 6.2 14.1 15.5 26 90 A V E +E 38 0C 37 -2,-0.5 12,-0.2 12,-0.2 3,-0.1 -0.624 21.5 178.0 -82.6 128.4 8.6 16.2 13.4 27 91 A L E - 0 0 103 10,-2.5 2,-0.3 -2,-0.4 -1,-0.1 0.683 60.9 -46.0 -99.8 -24.0 7.3 18.1 10.3 28 92 A G E -E 37 0C 24 9,-0.7 9,-2.0 0, 0.0 -1,-0.4 -0.952 52.8-102.5 170.0 173.7 10.5 19.9 9.1 29 93 A Y E -E 36 0C 125 -2,-0.3 7,-0.2 7,-0.2 5,-0.0 -0.397 25.0-116.5-110.7-170.9 13.6 21.9 10.1 30 94 A N - 0 0 42 5,-0.6 2,-0.4 -2,-0.1 6,-0.1 0.469 53.5-104.3-108.2 -3.6 14.7 25.5 9.9 31 95 A H S S+ 0 0 169 4,-0.2 -2,-0.0 1,-0.0 -1,-0.0 -0.645 115.7 55.1 116.0 -67.7 17.7 25.2 7.5 32 96 A N S S- 0 0 77 -2,-0.4 -1,-0.0 1,-0.1 0, 0.0 0.579 111.5-120.8 -72.4 -7.9 20.9 25.5 9.6 33 97 A G S S+ 0 0 28 2,-0.2 -1,-0.1 16,-0.0 16,-0.0 0.448 79.4 121.1 82.6 7.8 19.2 22.6 11.4 34 98 A E + 0 0 113 1,-0.1 15,-2.1 15,-0.1 2,-0.3 0.669 69.5 38.7 -77.1 -19.4 19.0 24.2 14.9 35 99 A W E - F 0 48C 59 13,-0.3 -5,-0.6 14,-0.1 2,-0.4 -0.997 62.6-155.2-137.1 143.1 15.2 24.1 15.3 36 100 A C E -EF 29 47C 2 11,-3.0 11,-2.4 -2,-0.3 2,-0.7 -0.921 16.6-135.1-117.9 141.3 12.5 21.5 14.6 37 101 A E E +EF 28 46C 57 -9,-2.0 -10,-2.5 -2,-0.4 -9,-0.7 -0.840 41.8 175.6 -93.4 112.6 8.7 22.3 14.1 38 102 A A E -EF 26 45C 0 7,-2.6 7,-1.7 -2,-0.7 2,-0.4 -0.671 30.7-145.6-123.4 171.0 6.9 19.7 16.1 39 103 A Q E +EF 25 44C 71 -14,-1.1 -14,-2.1 5,-0.2 5,-0.2 -0.982 23.5 163.0-132.6 138.9 3.5 18.5 17.2 40 104 A T E > - F 0 43C 14 3,-2.2 3,-0.6 -2,-0.4 -16,-0.1 -0.673 61.4 -77.5-136.5-166.1 2.7 16.8 20.5 41 105 A K T 3 S+ 0 0 121 -18,-0.3 3,-0.1 -2,-0.2 -17,-0.1 0.500 130.7 49.8 -79.8 2.5 -0.5 16.2 22.5 42 106 A N T 3 S- 0 0 132 1,-0.3 2,-0.3 -25,-0.1 -1,-0.2 0.469 117.8 -77.0-115.4 -13.7 -0.3 19.9 23.4 43 107 A G E < - F 0 40C 33 -3,-0.6 -3,-2.2 2,-0.0 2,-0.3 -0.999 49.6 -63.6 155.0-151.3 0.3 21.8 20.2 44 108 A Q E + F 0 39C 105 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.999 56.5 108.5-148.6 132.0 2.8 22.8 17.5 45 109 A G E - F 0 38C 1 -7,-1.7 -7,-2.6 -2,-0.3 2,-0.4 -0.996 59.8 -52.2 178.1-179.5 6.0 24.8 17.6 46 110 A W E +dF 15 37C 53 -32,-1.4 -30,-1.4 -33,-0.3 -9,-0.2 -0.625 45.4 172.6 -82.4 128.0 9.8 25.2 17.4 47 111 A V E - F 0 36C 1 -11,-2.4 -11,-3.0 -2,-0.4 5,-0.1 -0.942 42.3 -88.3-129.4 148.9 12.0 23.1 19.7 48 112 A P E > - F 0 35C 18 0, 0.0 3,-1.1 0, 0.0 4,-0.3 -0.280 32.5-127.3 -60.6 147.2 15.8 22.8 19.7 49 113 A S G > S+ 0 0 44 -15,-2.1 3,-1.4 1,-0.2 -14,-0.1 0.917 105.2 51.0 -62.1 -54.1 17.3 20.2 17.4 50 114 A N G 3 S+ 0 0 112 1,-0.2 -1,-0.2 -16,-0.2 -15,-0.1 0.439 95.9 73.5 -69.5 2.8 19.5 18.4 20.0 51 115 A Y G < S+ 0 0 71 -3,-1.1 -46,-2.9 -46,-0.1 -45,-0.8 0.625 95.6 51.3 -90.1 -13.3 16.6 18.1 22.5 52 116 A I E < S-B 4 0A 11 -3,-1.4 -48,-0.2 -4,-0.3 -50,-0.0 -0.793 70.9-139.4-122.9 161.7 14.8 15.3 20.5 53 117 A T E -B 3 0A 30 -50,-2.2 -50,-1.3 -2,-0.3 -3,-0.0 -0.976 10.8-148.3-130.8 124.4 15.8 11.9 19.1 54 118 A P S S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -28,-0.0 0.508 79.0 94.6 -58.5 -10.2 14.8 10.3 15.7 55 119 A V 0 0 89 -52,-0.1 -52,-0.2 1,-0.1 -2,-0.1 -0.135 360.0 360.0 -68.2-176.5 15.0 7.0 17.4 56 120 A N 0 0 108 -54,-0.1 -1,-0.1 -33,-0.0 -3,-0.0 0.872 360.0 360.0 99.2 360.0 11.9 5.4 19.0