==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 07-SEP-11 4A04 . COMPND 2 MOLECULE: T-BOX TRANSCRIPTION FACTOR TBX1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.EL OMARI,J.DE MESMAEKER,D.KARIA,H.GINN,S.BHATTACHARYA,E.J. . 371 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22056.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 57.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 24.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 0 0.0 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 . 27 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 2 0 0 0 4 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 2 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 0 0 PARALLEL BRIDGES PER LADDER . 1 6 3 2 2 2 0 0 2 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 . 2 3 1 0 0 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 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 1 109 A G 0 0 96 0, 0.0 2,-0.3 0, 0.0 41,-0.0 0.000 360.0 360.0 360.0 7.8 -10.4 42.5 13.5 2 110 A V - 0 0 21 133,-0.1 2,-0.4 37,-0.0 39,-0.2 -0.640 360.0-162.0 -80.1 128.7 -11.5 40.8 10.2 3 111 A S E -A 40 0A 66 37,-2.6 37,-2.1 -2,-0.3 2,-0.4 -0.922 4.0-161.7-114.7 138.0 -10.6 42.8 7.0 4 112 A V E -A 39 0A 23 -2,-0.4 2,-0.5 35,-0.2 35,-0.2 -0.979 1.3-162.2-124.2 132.4 -12.2 42.2 3.5 5 113 A Q E -A 38 0A 86 33,-2.3 33,-2.1 -2,-0.4 2,-0.5 -0.971 18.4-134.6-115.8 119.4 -10.7 43.5 0.2 6 114 A L E > -A 37 0A 9 -2,-0.5 3,-0.6 31,-0.2 31,-0.2 -0.631 22.4-138.9 -75.3 121.3 -13.0 43.7 -2.9 7 115 A E T 3 S+ 0 0 38 29,-2.9 29,-0.4 -2,-0.5 5,-0.1 -0.480 83.3 24.0 -79.1 153.7 -11.2 42.2 -5.9 8 116 A M T 3> S+ 0 0 105 -2,-0.1 4,-1.9 3,-0.1 3,-0.4 0.807 75.0 159.9 58.9 35.6 -11.5 43.9 -9.4 9 117 A K H <> + 0 0 111 -3,-0.6 4,-2.5 1,-0.2 5,-0.2 0.865 67.8 55.5 -52.8 -44.4 -12.3 47.2 -7.5 10 118 A A H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.874 108.5 47.2 -58.6 -43.3 -11.4 49.3 -10.6 11 119 A L H > S+ 0 0 31 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.879 112.2 50.3 -67.6 -38.6 -13.9 47.4 -12.8 12 120 A W H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.905 112.1 47.2 -64.0 -45.2 -16.7 47.8 -10.2 13 121 A D H X S+ 0 0 60 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.802 109.0 54.3 -67.1 -33.1 -16.0 51.6 -9.8 14 122 A E H X S+ 0 0 96 -4,-1.6 4,-0.8 -5,-0.2 -1,-0.2 0.888 113.2 42.8 -67.5 -40.7 -16.0 52.0 -13.7 15 123 A F H >X S+ 0 0 0 -4,-1.7 4,-1.3 1,-0.2 3,-0.6 0.893 111.3 55.1 -69.4 -44.6 -19.5 50.3 -13.8 16 124 A N H 3< S+ 0 0 54 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.815 102.1 56.8 -59.4 -36.4 -20.8 52.3 -10.8 17 125 A Q H 3< S+ 0 0 178 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.815 113.1 41.0 -65.3 -33.1 -19.9 55.6 -12.4 18 126 A L H << S- 0 0 45 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.648 129.1 -98.7 -85.6 -20.2 -22.1 54.6 -15.4 19 127 A G < - 0 0 23 -4,-1.3 -3,-0.2 135,-0.1 144,-0.2 0.818 42.9-110.6 93.2 85.8 -24.8 53.1 -13.0 20 128 A T - 0 0 2 134,-0.4 136,-2.3 -8,-0.1 2,-0.4 -0.098 33.6-167.5 -49.9 136.5 -24.4 49.3 -12.9 21 129 A E E -c 156 0B 0 134,-0.2 2,-0.4 11,-0.2 136,-0.2 -0.993 4.2-162.3-129.2 135.4 -27.0 47.1 -14.4 22 130 A M E -c 157 0B 1 134,-2.0 136,-3.2 -2,-0.4 2,-0.2 -0.979 20.7-125.1-121.5 130.5 -27.4 43.4 -14.0 23 131 A I E -c 158 0B 23 -2,-0.4 2,-0.4 7,-0.2 87,-0.2 -0.489 23.7-163.9 -71.3 141.9 -29.4 41.1 -16.3 24 132 A V + 0 0 1 134,-1.9 2,-0.3 -2,-0.2 87,-0.2 -0.998 13.2 171.6-130.9 123.5 -32.1 39.0 -14.6 25 133 A T - 0 0 42 85,-1.0 88,-0.4 -2,-0.4 87,-0.3 -0.916 45.3-109.4-130.8 166.1 -33.7 36.0 -16.4 26 134 A K S S+ 0 0 159 -2,-0.3 87,-0.2 1,-0.2 -1,-0.1 0.896 118.9 46.4 -57.2 -48.6 -36.1 33.1 -15.5 27 135 A A S S- 0 0 76 1,-0.1 -1,-0.2 84,-0.1 84,-0.1 0.721 124.1 -95.7 -68.1 -29.8 -33.3 30.5 -15.8 28 136 A G - 0 0 8 -3,-0.2 2,-0.4 82,-0.2 83,-0.2 0.263 33.5-136.5 111.5 126.7 -30.8 32.5 -13.7 29 137 A R E -I 110 0C 128 81,-2.8 81,-3.2 -4,-0.2 2,-0.1 -0.934 16.2-122.6-118.1 136.1 -28.1 34.9 -14.8 30 138 A R E -I 109 0C 110 -2,-0.4 -7,-0.2 79,-0.2 2,-0.2 -0.398 34.4-110.1 -68.4 148.2 -24.5 35.3 -13.4 31 139 A M - 0 0 6 77,-0.8 -1,-0.1 75,-0.1 77,-0.1 -0.558 31.1-124.2 -77.2 146.8 -23.5 38.7 -12.1 32 140 A F S S+ 0 0 32 -2,-0.2 -11,-0.2 1,-0.1 2,-0.2 -0.948 98.6 32.4-138.4 117.1 -20.9 40.7 -14.1 33 141 A P S S- 0 0 4 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.527 102.8-124.6 -71.2 160.9 -18.5 41.5 -12.6 34 142 A T - 0 0 22 -2,-0.2 2,-0.7 1,-0.1 72,-0.1 -0.557 23.5-111.9 -73.4 138.8 -18.3 38.5 -10.3 35 143 A F E + B 0 105A 0 70,-0.6 70,-2.2 -2,-0.2 2,-0.4 -0.688 48.9 171.0 -77.2 110.2 -18.3 39.4 -6.5 36 144 A Q E - B 0 104A 50 -2,-0.7 -29,-2.9 -29,-0.4 2,-0.3 -0.990 7.7-176.3-127.3 134.1 -14.7 38.4 -5.4 37 145 A V E -AB 6 103A 0 66,-3.2 66,-3.0 -2,-0.4 2,-0.4 -0.923 21.4-141.6-132.3 158.2 -13.1 39.1 -2.1 38 146 A K E -A 5 0A 86 -33,-2.1 -33,-2.3 -2,-0.3 2,-0.3 -0.957 24.8-141.1-116.9 130.8 -9.8 38.7 -0.2 39 147 A L E +A 4 0A 4 59,-0.4 2,-0.3 -2,-0.4 -35,-0.2 -0.785 22.6 172.9-101.1 140.7 -9.9 37.7 3.6 40 148 A F E +A 3 0A 78 -37,-2.1 -37,-2.6 -2,-0.3 -2,-0.0 -0.980 54.6 25.1-142.7 152.2 -7.6 39.1 6.4 41 149 A G S S+ 0 0 50 -2,-0.3 2,-0.2 -39,-0.2 -1,-0.1 0.658 77.2 142.3 69.3 22.6 -7.3 38.9 10.2 42 150 A M - 0 0 11 53,-0.2 -1,-0.2 -39,-0.1 6,-0.0 -0.581 59.7-107.9 -88.8 156.2 -9.1 35.6 10.6 43 151 A D > - 0 0 65 -2,-0.2 52,-0.7 1,-0.1 3,-0.7 -0.748 25.1-145.0 -82.8 118.0 -8.1 33.0 13.2 44 152 A P T 3 S+ 0 0 68 0, 0.0 52,-1.4 0, 0.0 53,-0.3 0.733 97.0 44.9 -58.2 -25.5 -6.6 30.1 11.2 45 153 A M T 3 S+ 0 0 145 50,-0.2 2,-0.1 49,-0.1 -2,-0.0 0.675 95.5 94.3 -89.4 -23.4 -8.0 27.3 13.6 46 154 A A S < S- 0 0 9 -3,-0.7 49,-2.1 48,-0.1 2,-0.3 -0.455 74.5-125.5 -74.0 142.8 -11.5 28.9 13.9 47 155 A D E -D 94 0B 50 91,-0.4 91,-2.5 47,-0.2 2,-0.3 -0.702 30.1-169.6 -87.8 138.5 -14.4 27.7 11.6 48 156 A Y E -DE 93 137B 16 45,-2.9 45,-1.8 -2,-0.3 2,-0.5 -0.973 18.7-144.9-131.4 149.3 -16.2 30.4 9.6 49 157 A M E - E 0 136B 48 87,-3.1 87,-2.5 -2,-0.3 2,-0.5 -0.943 16.7-154.5-111.2 127.5 -19.4 30.6 7.5 50 158 A L E - E 0 135B 0 -2,-0.5 38,-2.8 85,-0.2 2,-0.3 -0.920 18.2-178.6-108.5 127.1 -19.3 33.0 4.4 51 159 A L E -FE 87 134B 15 83,-2.6 83,-2.5 -2,-0.5 2,-0.3 -0.886 20.5-157.9-126.1 160.8 -22.6 34.5 3.1 52 160 A M E + E 0 133B 0 34,-1.8 34,-0.4 -2,-0.3 2,-0.3 -0.990 19.3 167.7-135.9 135.1 -24.0 36.7 0.4 53 161 A D E - E 0 132B 43 79,-2.0 79,-3.1 -2,-0.3 2,-0.4 -0.963 25.8-134.0-146.8 158.5 -27.3 38.6 0.5 54 162 A F E - E 0 131B 28 -2,-0.3 -2,-0.0 77,-0.2 75,-0.0 -0.983 19.0-173.3-123.7 125.4 -29.1 41.3 -1.5 55 163 A V E - E 0 130B 46 75,-2.0 75,-3.2 -2,-0.4 2,-0.1 -0.934 30.7-108.6-117.8 137.0 -30.8 44.2 0.2 56 164 A P E - E 0 129B 75 0, 0.0 73,-0.3 0, 0.0 3,-0.1 -0.460 18.0-149.4 -68.5 138.3 -33.0 46.9 -1.6 57 165 A V S S- 0 0 51 71,-2.4 2,-0.3 1,-0.2 72,-0.1 0.914 75.2 -11.1 -70.4 -46.9 -31.3 50.4 -1.8 58 166 A D - 0 0 47 70,-0.5 2,-0.6 2,-0.2 70,-0.2 -0.887 70.0-104.7-145.7 170.8 -34.6 52.4 -1.7 59 167 A D S S+ 0 0 112 -2,-0.3 18,-1.1 -3,-0.1 2,-0.3 -0.410 81.9 105.1-101.9 57.1 -38.3 51.7 -2.0 60 168 A K E -K 76 0D 88 -2,-0.6 68,-0.4 16,-0.3 2,-0.4 -0.963 63.9-131.8-135.1 149.6 -38.7 53.1 -5.6 61 169 A R E -K 75 0D 93 14,-2.6 13,-3.1 -2,-0.3 14,-1.1 -0.839 31.1-140.5 -99.1 137.1 -39.2 51.6 -9.1 62 170 A Y E -K 73 0D 23 64,-3.0 2,-0.3 -2,-0.4 11,-0.2 -0.699 16.7-169.5-108.2 155.3 -36.9 53.0 -11.8 63 171 A R E -K 72 0D 161 9,-2.5 9,-3.0 -2,-0.3 2,-0.5 -0.993 19.5-133.2-138.6 137.1 -37.3 54.0 -15.5 64 172 A Y E -K 71 0D 15 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.863 12.0-153.5 -99.9 123.5 -34.5 54.9 -18.0 65 173 A A E >> -K 70 0D 22 5,-2.5 4,-1.3 -2,-0.5 5,-1.3 -0.874 4.7-167.3 -96.7 108.4 -35.1 58.0 -20.1 66 174 A F T 45S+ 0 0 133 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.0 0.746 84.5 61.2 -66.1 -28.1 -33.1 57.6 -23.4 67 175 A H T 45S+ 0 0 204 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.887 120.8 23.1 -66.0 -44.0 -33.6 61.3 -24.3 68 176 A S T 45S- 0 0 70 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.474 101.8-131.4-100.5 -7.3 -31.7 62.6 -21.2 69 177 A S T <5 + 0 0 76 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.916 66.9 110.8 51.5 54.5 -29.7 59.2 -20.7 70 178 A S E - 0 0 14 -38,-2.8 3,-2.3 -2,-0.3 -38,-0.2 -0.449 38.6-116.6 -63.9 138.1 -20.6 30.0 -0.2 89 197 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 16,-0.0 0.816 115.6 51.8 -49.3 -33.8 -20.4 26.4 -1.5 90 198 A D T 3 S+ 0 0 109 3,-0.0 -2,-0.0 -40,-0.0 -3,-0.0 0.470 89.4 151.8 -81.9 -5.0 -17.2 25.8 0.7 91 199 A S < + 0 0 24 -3,-2.3 -42,-0.1 -41,-0.2 2,-0.1 -0.569 47.9 43.1 -77.9 133.6 -18.9 27.0 3.9 92 200 A P S S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 -43,-0.2 0.544 82.6 139.0 -83.3 155.7 -18.2 26.1 6.7 93 201 A A E -D 48 0B 18 -45,-1.8 -45,-2.9 -2,-0.1 -2,-0.0 -0.968 52.6 -85.5-154.5 158.9 -14.3 26.1 6.5 94 202 A K E > -D 47 0B 69 -2,-0.3 4,-1.4 -47,-0.2 3,-0.5 -0.251 37.7-113.7 -67.6 155.5 -11.3 27.0 8.7 95 203 A G H > S+ 0 0 0 -49,-2.1 4,-1.9 -52,-0.7 -53,-0.2 0.832 117.6 55.6 -56.8 -37.7 -9.9 30.6 8.8 96 204 A A H > S+ 0 0 48 -52,-1.4 4,-1.0 1,-0.2 -1,-0.2 0.822 105.6 52.7 -65.4 -34.9 -6.7 29.4 7.1 97 205 A Q H > S+ 0 0 105 -3,-0.5 4,-0.5 -53,-0.3 -1,-0.2 0.851 110.7 45.8 -69.4 -39.3 -8.7 28.0 4.2 98 206 A W H < S+ 0 0 8 -4,-1.4 -59,-0.4 1,-0.2 3,-0.4 0.864 115.2 45.8 -71.8 -40.1 -10.6 31.2 3.5 99 207 A M H < S+ 0 0 71 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.655 96.1 80.2 -75.9 -19.6 -7.4 33.4 3.7 100 208 A K H < S- 0 0 150 -4,-1.0 2,-0.3 -5,-0.1 -1,-0.2 0.837 107.9 -3.8 -54.8 -47.2 -5.5 30.9 1.5 101 209 A Q S < S- 0 0 146 -4,-0.5 -62,-0.3 -3,-0.4 2,-0.1 -0.889 93.9 -67.5-143.6 170.8 -6.9 32.2 -1.8 102 210 A I - 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0 0 50 -88,-0.4 3,-1.2 -87,-0.2 -2,-0.1 -0.646 51.2-163.9 -76.9 113.7 -39.0 34.3 -11.1 114 222 A L T 3 S+ 0 0 95 -2,-0.6 -1,-0.1 1,-0.2 8,-0.1 0.706 89.8 54.5 -68.5 -23.3 -40.8 34.4 -7.7 115 223 A L T 3 S+ 0 0 151 2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.290 78.9 139.6 -95.2 7.5 -41.5 30.6 -7.9 116 224 A D < + 0 0 2 -3,-1.2 6,-0.1 1,-0.1 3,-0.1 -0.204 25.9 176.1 -55.8 137.3 -37.7 29.7 -8.4 117 225 A D + 0 0 135 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 0.165 56.9 93.9-127.8 14.5 -36.5 26.6 -6.4 118 226 A N S S- 0 0 126 2,-0.1 -1,-0.1 -91,-0.0 -2,-0.1 0.207 102.0-106.4 -94.0 13.0 -32.9 26.4 -7.8 119 227 A G S S+ 0 0 50 1,-0.2 2,-0.1 -3,-0.1 -10,-0.1 0.600 73.4 143.7 71.5 14.5 -31.4 28.4 -4.8 120 228 A H - 0 0 35 1,-0.1 2,-0.4 -12,-0.1 -1,-0.2 -0.489 59.4 -96.3 -82.4 157.1 -30.9 31.5 -7.0 121 229 A I E -j 110 0C 10 -12,-2.2 -10,-2.8 -2,-0.1 2,-0.4 -0.593 35.1-143.1 -76.9 123.4 -31.4 35.1 -5.8 122 230 A I E +j 111 0C 8 -2,-0.4 2,-0.3 -40,-0.4 -10,-0.2 -0.773 28.4 168.5 -90.6 128.4 -34.8 36.5 -6.6 123 231 A L - 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