==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 14-DEC-09 2RQU . COMPND 2 MOLECULE: DDEF1_SH3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.KAIEDA,C.MATSUI,Y.MIMORI-KIYOSUE,T.IKEGAMI . 80 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 47 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 30.0 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 . 1 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 2.5 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 . 1 1.2 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 . 9 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 6.2 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 1 1 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 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 1069 A V 0 0 187 0, 0.0 2,-0.4 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 -63.4 2.3 -0.7 -1.1 2 1070 A R E -A 28 0A 83 26,-0.8 26,-2.0 56,-0.0 2,-0.4 -0.769 360.0-168.8 -96.5 137.1 3.9 2.7 -0.4 3 1071 A R E -A 27 0A 110 -2,-0.4 56,-3.2 24,-0.3 2,-0.3 -0.946 7.5-174.7-127.8 142.5 6.1 3.0 2.7 4 1072 A V E -AB 26 58A 0 22,-2.9 22,-3.3 -2,-0.4 2,-0.5 -0.996 14.3-147.3-136.5 144.7 7.6 6.0 4.5 5 1073 A K E -AB 25 57A 51 52,-2.8 52,-2.5 -2,-0.3 2,-0.5 -0.948 27.2-119.5-111.6 128.2 10.0 6.2 7.5 6 1074 A T E + B 0 56A 0 18,-3.0 17,-2.0 -2,-0.5 50,-0.3 -0.511 31.8 175.7 -70.8 118.3 9.6 9.2 9.8 7 1075 A I + 0 0 18 48,-1.5 58,-1.9 -2,-0.5 2,-0.3 0.451 67.5 33.6-101.5 -4.2 12.7 11.2 9.7 8 1076 A Y S S- 0 0 15 47,-1.6 2,-0.6 56,-0.2 15,-0.1 -0.859 84.4-105.0-139.6 175.4 11.3 13.9 12.0 9 1077 A D + 0 0 69 -2,-0.3 2,-0.4 12,-0.3 12,-0.3 -0.917 44.0 172.4-108.9 109.4 9.0 14.3 14.9 10 1078 A C B -F 20 0B 7 10,-3.2 10,-1.9 -2,-0.6 2,-0.4 -0.896 17.2-152.3-121.3 147.9 5.7 15.9 13.8 11 1079 A Q - 0 0 141 -2,-0.4 2,-0.2 8,-0.2 8,-0.1 -0.947 19.3-117.9-124.4 141.8 2.4 16.4 15.7 12 1080 A A - 0 0 21 -2,-0.4 7,-0.1 5,-0.2 39,-0.1 -0.490 11.0-161.2 -76.0 139.1 -1.1 16.7 14.4 13 1081 A D S S+ 0 0 106 -2,-0.2 2,-0.2 5,-0.0 -1,-0.1 0.856 78.4 17.2 -84.3 -41.5 -3.1 19.9 14.9 14 1082 A N S S- 0 0 76 1,-0.0 3,-0.5 4,-0.0 -2,-0.0 -0.563 92.6 -91.9-119.6-175.0 -6.5 18.2 14.4 15 1083 A D S S+ 0 0 165 1,-0.2 -3,-0.0 -2,-0.2 -1,-0.0 0.677 118.3 67.8 -70.5 -17.9 -7.9 14.7 14.4 16 1084 A D S S+ 0 0 84 33,-0.1 34,-2.6 2,-0.1 -1,-0.2 0.849 89.1 73.4 -72.1 -36.7 -7.3 14.5 10.7 17 1085 A E B S-c 50 0A 12 -3,-0.5 2,-0.6 32,-0.3 34,-0.2 -0.381 77.8-125.7 -86.5 159.6 -3.5 14.5 10.9 18 1086 A L - 0 0 6 32,-2.5 2,-0.5 31,-0.1 31,-0.1 -0.913 16.0-143.4-108.8 116.4 -1.2 11.7 12.1 19 1087 A T + 0 0 69 -2,-0.6 2,-0.4 29,-0.1 -8,-0.2 -0.683 30.0 169.4 -78.4 125.1 1.3 12.4 14.9 20 1088 A F B -F 10 0B 1 -10,-1.9 -10,-3.2 -2,-0.5 2,-0.3 -0.998 21.3-151.5-140.2 139.9 4.6 10.6 14.3 21 1089 A I > - 0 0 80 -2,-0.4 3,-1.8 -12,-0.3 -12,-0.3 -0.774 44.3 -75.4-109.5 159.9 8.0 10.8 15.9 22 1090 A E T 3 S+ 0 0 45 -2,-0.3 -15,-0.2 1,-0.2 -13,-0.1 -0.262 118.4 37.2 -56.9 125.6 11.3 10.0 14.3 23 1091 A G T 3 S+ 0 0 45 -17,-2.0 -1,-0.2 1,-0.5 2,-0.1 0.190 85.7 123.4 116.6 -13.7 11.8 6.3 14.0 24 1092 A E < - 0 0 39 -3,-1.8 -18,-3.0 -18,-0.1 2,-0.5 -0.415 51.2-143.8 -76.4 154.2 8.2 5.4 13.1 25 1093 A V E -A 5 0A 35 -20,-0.2 17,-3.2 -2,-0.1 2,-0.4 -0.985 15.2-164.4-123.6 124.5 7.3 3.6 9.9 26 1094 A I E -AD 4 41A 0 -22,-3.3 -22,-2.9 -2,-0.5 2,-0.8 -0.905 16.7-143.0-115.6 132.9 4.2 4.4 8.1 27 1095 A I E -AD 3 40A 36 13,-3.3 13,-1.8 -2,-0.4 2,-0.6 -0.849 26.2-136.4 -90.0 111.1 2.4 2.5 5.4 28 1096 A V E +AD 2 39A 10 -26,-2.0 -26,-0.8 -2,-0.8 11,-0.3 -0.588 33.6 166.6 -74.5 113.7 1.0 5.1 3.0 29 1097 A T E - 0 0 91 9,-1.6 2,-0.3 -2,-0.6 10,-0.2 0.494 62.2 -0.5-105.9 -8.3 -2.5 4.1 2.1 30 1098 A G E - D 0 38A 21 8,-2.5 8,-2.7 -28,-0.1 2,-0.3 -0.962 59.2-126.0-164.6-178.8 -3.6 7.4 0.5 31 1099 A E E + D 0 37A 105 6,-0.3 6,-0.2 -2,-0.3 3,-0.1 -0.998 21.0 165.8-143.8 140.4 -2.7 11.0 -0.5 32 1100 A E S S+ 0 0 102 4,-2.1 2,-0.2 1,-0.5 5,-0.2 0.684 75.3 7.3-116.6 -52.5 -4.4 14.3 0.2 33 1101 A D S S- 0 0 36 3,-3.2 -1,-0.5 1,-0.1 3,-0.2 -0.701 78.4-105.0-122.3 174.7 -1.8 16.9 -0.8 34 1102 A Q S S+ 0 0 174 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.900 126.7 30.8 -66.2 -39.1 1.6 16.7 -2.5 35 1103 A E S S+ 0 0 60 1,-0.2 18,-2.2 17,-0.1 19,-0.7 0.220 118.3 63.8-105.9 12.2 3.2 17.2 0.9 36 1104 A W E + E 0 52A 4 16,-0.3 -3,-3.2 -3,-0.2 -4,-2.1 -0.880 63.5 173.2-141.5 107.4 0.5 15.6 2.9 37 1105 A W E -DE 31 51A 29 14,-2.4 14,-3.1 -2,-0.3 2,-0.4 -0.596 25.8-121.2-111.6 171.1 -0.2 11.9 2.6 38 1106 A I E +DE 30 50A 44 -8,-2.7 -8,-2.5 12,-0.3 -9,-1.6 -0.909 47.4 114.7-115.9 138.4 -2.5 9.4 4.4 39 1107 A G E -DE 28 49A 0 10,-2.3 10,-2.2 -2,-0.4 2,-0.3 -0.969 46.8-109.4-173.5-169.7 -1.4 6.2 6.1 40 1108 A H E -DE 27 48A 55 -13,-1.8 -13,-3.3 -2,-0.3 8,-0.2 -0.987 40.4 -92.4-142.5 148.7 -1.0 4.2 9.3 41 1109 A I E -D 26 0A 5 6,-2.2 3,-0.3 3,-0.8 -15,-0.3 -0.362 36.6-127.4 -62.9 137.2 2.0 3.1 11.3 42 1110 A E S S+ 0 0 87 -17,-3.2 -1,-0.1 1,-0.3 -16,-0.1 0.951 106.4 25.1 -53.0 -62.5 3.2 -0.4 10.3 43 1111 A G S S+ 0 0 75 -18,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.462 124.9 57.7 -84.1 -0.0 3.2 -2.1 13.7 44 1112 A Q > + 0 0 71 -3,-0.3 3,-1.7 3,-0.1 -3,-0.8 -0.678 56.2 169.1-132.1 79.2 0.5 0.3 14.9 45 1113 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.540 76.3 68.5 -68.9 -6.4 -2.6 0.2 12.7 46 1114 A E T 3 S+ 0 0 151 1,-0.2 2,-1.1 -3,-0.1 -2,-0.0 0.704 85.0 76.2 -83.7 -21.6 -4.5 2.2 15.3 47 1115 A R < + 0 0 112 -3,-1.7 -6,-2.2 -6,-0.2 2,-0.3 -0.759 67.1 141.8 -92.0 92.6 -2.3 5.2 14.4 48 1116 A K E + E 0 40A 126 -2,-1.1 2,-0.3 -8,-0.2 -8,-0.2 -0.957 12.5 93.9-133.3 153.5 -3.7 6.4 11.1 49 1117 A G E S- E 0 39A 13 -10,-2.2 -10,-2.3 -2,-0.3 2,-0.5 -0.979 72.2 -42.2 160.4-165.0 -4.3 9.8 9.5 50 1118 A V E -cE 17 38A 11 -34,-2.6 -32,-2.5 -2,-0.3 -12,-0.3 -0.843 53.6-175.7-100.5 129.5 -2.8 12.5 7.3 51 1119 A F E - E 0 37A 0 -14,-3.1 -14,-2.4 -2,-0.5 2,-0.4 -0.921 28.6-107.0-127.4 147.4 0.9 13.2 7.7 52 1120 A P E > - E 0 36A 1 0, 0.0 3,-1.5 0, 0.0 -16,-0.3 -0.589 14.0-148.3 -76.2 128.6 3.4 15.8 6.1 53 1121 A V G > S+ 0 0 28 -18,-2.2 3,-0.9 -2,-0.4 -17,-0.1 0.702 93.3 76.2 -66.7 -18.2 5.8 14.3 3.7 54 1122 A S G 3 S+ 0 0 27 -19,-0.7 -1,-0.3 1,-0.3 -18,-0.1 0.761 100.9 39.0 -63.4 -25.3 8.2 17.1 4.9 55 1123 A F G < S+ 0 0 7 -3,-1.5 -47,-1.6 -47,-0.1 -48,-1.5 0.359 113.7 63.1-109.3 2.5 8.9 15.1 8.0 56 1124 A V E < S-B 6 0A 7 -3,-0.9 2,-0.5 -50,-0.3 -50,-0.2 -0.830 70.8-132.0-126.8 164.4 8.9 11.6 6.5 57 1125 A H E -B 5 0A 93 -52,-2.5 -52,-2.8 -2,-0.3 2,-0.3 -0.974 23.9-120.5-123.1 128.5 11.1 9.8 4.0 58 1126 A I E -B 4 0A 49 -2,-0.5 2,-0.8 -54,-0.2 3,-0.3 -0.481 16.3-153.3 -70.1 124.0 9.7 7.8 1.1 59 1127 A L S S+ 0 0 62 -56,-3.2 -56,-0.1 -2,-0.3 -1,-0.1 -0.412 71.1 98.0 -98.4 54.3 10.8 4.2 1.3 60 1128 A S 0 0 106 -2,-0.8 -1,-0.2 -58,-0.1 -2,-0.1 0.027 360.0 360.0-118.1 20.0 10.6 3.4 -2.4 61 1129 A D 0 0 205 -3,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.834 360.0 360.0 -98.1 360.0 14.4 4.0 -2.7 62 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 63 1578 B C 0 0 122 0, 0.0 2,-0.3 0, 0.0 -40,-0.1 0.000 360.0 360.0 360.0 112.3 18.4 9.4 13.6 64 1579 B I - 0 0 102 -42,-0.1 2,-0.4 1,-0.1 -56,-0.2 -0.519 360.0-130.3 -68.4 130.4 17.0 12.9 13.0 65 1580 B I - 0 0 68 -58,-1.9 -1,-0.1 -2,-0.3 -43,-0.0 -0.692 56.8 -51.3 -81.9 131.5 17.5 14.1 9.4 66 1581 B S S S- 0 0 112 -2,-0.4 2,-0.3 2,-0.1 -2,-0.0 0.066 102.2 -34.7 46.6-142.7 19.0 17.5 9.0 67 1582 B A S S- 0 0 71 1,-0.1 -2,-0.0 -59,-0.0 -59,-0.0 -0.856 83.8 -78.1-106.8 152.1 17.2 20.2 11.0 68 1583 B M - 0 0 106 -2,-0.3 -1,-0.1 1,-0.1 -13,-0.1 -0.178 48.6-141.1 -54.2 132.4 13.4 20.1 11.6 69 1584 B P - 0 0 35 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.145 23.5 -93.4 -83.2-176.1 11.3 21.3 8.6 70 1585 B T - 0 0 119 -2,-0.0 2,-0.7 -16,-0.0 -16,-0.1 -0.865 29.6-114.1-109.1 132.6 8.2 23.4 8.7 71 1586 B K - 0 0 57 -2,-0.5 -1,-0.0 1,-0.2 -61,-0.0 -0.537 27.9-152.8 -60.0 108.0 4.7 22.1 8.8 72 1587 B S - 0 0 36 -2,-0.7 -1,-0.2 -37,-0.2 -36,-0.1 0.524 36.2-112.9 -67.6 -4.8 3.7 23.4 5.4 73 1588 B S - 0 0 81 1,-0.1 2,-0.8 2,-0.0 -1,-0.1 0.756 34.1 -92.3 66.8 116.9 0.0 23.5 6.5 74 1589 B R > - 0 0 20 1,-0.2 3,-0.9 2,-0.1 -1,-0.1 -0.436 35.9-164.8 -66.9 104.6 -2.2 21.0 4.7 75 1590 B K T 3 S+ 0 0 113 -2,-0.8 -1,-0.2 1,-0.3 -2,-0.0 0.797 86.2 63.3 -59.5 -31.7 -3.5 23.0 1.8 76 1591 B A T 3 S+ 0 0 38 -3,-0.1 2,-0.3 -40,-0.0 -1,-0.3 0.882 98.8 62.0 -60.4 -40.2 -6.1 20.3 1.3 77 1592 B K S < S- 0 0 39 -3,-0.9 -45,-0.0 3,-0.0 0, 0.0 -0.650 72.3-147.8 -96.5 144.7 -7.7 20.9 4.7 78 1593 B K - 0 0 149 -2,-0.3 2,-1.2 0, 0.0 -3,-0.0 -0.913 30.0-107.4-109.4 136.7 -9.4 24.2 5.8 79 1594 B P - 0 0 105 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.484 37.8-138.7 -63.6 93.3 -9.3 25.3 9.4 80 1595 B A 0 0 91 -2,-1.2 -3,-0.0 1,-0.1 0, 0.0 -0.397 360.0 360.0 -58.4 114.7 -12.9 24.7 10.4 81 1596 B Q 0 0 253 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 -0.918 360.0 360.0-112.6 360.0 -14.0 27.6 12.5