==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 27-FEB-12 4DX9 . COMPND 2 MOLECULE: INTEGRIN BETA-1-BINDING PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.LIU,K.DRAHEIM,R.ZHANG,D.A.CALDERWOOD,T.J.BOGGON . 3767179 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 197011.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 2533 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1294 34.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 27 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 6 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 289 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 710 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 0.8 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 1 0 0 2 0 3 0 2 4 5 7 3 13 3 9 5 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 20 25 31 44 53 23 24 10 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 . 4 3 8 5 2 2 1 2 2 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 60 A C 0 0 63 0, 0.0 2,-0.4 0, 0.0 46,-0.3 0.000 360.0 360.0 360.0 71.3 30.3 88.7 -96.3 2 61 A A B -A 46 0A 0 44,-1.4 44,-3.7 855,-0.1 2,-0.3 -0.882 360.0-137.0-113.5 144.4 26.6 88.0 -95.5 3 62 A E E -C 856 0B 72 853,-1.3 853,-3.6 -2,-0.4 2,-0.2 -0.743 20.6-175.9-105.7 148.0 23.9 90.6 -94.9 4 63 A F E -C 855 0B 7 -2,-0.3 40,-1.2 851,-0.2 2,-0.4 -0.762 23.7-120.5-134.7 175.6 21.2 90.7 -92.2 5 64 A R E +G 43 0C 74 849,-0.7 86,-0.5 -2,-0.2 2,-0.2 -0.984 42.0 149.9-128.2 120.1 18.1 92.6 -91.0 6 65 A I E -GH 42 90C 4 36,-2.5 36,-2.4 -2,-0.4 2,-0.4 -0.809 38.6-121.6-139.4 174.2 18.0 94.1 -87.5 7 66 A K E - H 0 89C 29 82,-3.0 82,-1.3 -2,-0.2 2,-0.2 -0.962 30.3-124.6-121.3 145.9 16.7 96.8 -85.2 8 67 A Y E + H 0 88C 68 32,-0.5 80,-0.2 -2,-0.4 32,-0.1 -0.595 27.0 172.7 -92.6 149.6 18.9 99.2 -83.1 9 68 A V E - 0 0 14 78,-1.2 2,-0.3 1,-0.3 79,-0.2 0.720 47.1 -81.1-117.2 -61.0 18.8 99.7 -79.4 10 69 A G E - H 0 87C 10 77,-1.1 77,-1.5 23,-0.1 -1,-0.3 -0.987 29.1-115.4 174.3-173.0 21.6 101.9 -78.1 11 70 A A - 0 0 43 -2,-0.3 2,-0.5 21,-0.2 75,-0.1 -0.977 21.2-117.2-149.6 159.4 25.3 102.2 -77.0 12 71 A I 0 0 65 -2,-0.3 73,-0.2 73,-0.2 -2,-0.0 -0.880 360.0 360.0-103.4 129.2 27.4 103.1 -74.0 13 72 A E 0 0 235 -2,-0.5 -1,-0.2 71,-0.1 0, 0.0 0.955 360.0 360.0 -69.9 360.0 29.6 106.2 -74.1 14 ! 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 15 83 A E 0 0 189 0, 0.0 675,-0.1 0, 0.0 676,-0.0 0.000 360.0 360.0 360.0 -50.6 33.6 86.4 -66.9 16 84 A G > - 0 0 13 673,-0.1 4,-0.6 672,-0.1 3,-0.5 -0.299 360.0 -86.3-105.4-167.3 31.2 84.6 -69.3 17 85 A P H > S+ 0 0 11 0, 0.0 4,-1.2 0, 0.0 1352,-0.0 0.675 117.6 73.5 -76.1 -17.8 28.3 85.7 -71.5 18 86 A L H > S+ 0 0 50 1,-0.2 4,-1.1 2,-0.2 3,-0.1 0.842 94.2 52.4 -63.7 -36.5 25.9 85.5 -68.6 19 87 A D H > S+ 0 0 90 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.854 102.9 58.2 -66.7 -37.9 27.4 88.7 -67.1 20 88 A L H X S+ 0 0 15 -4,-0.6 4,-0.9 1,-0.2 -1,-0.2 0.835 102.6 54.0 -62.4 -35.3 26.9 90.5 -70.4 21 89 A I H X S+ 0 0 9 -4,-1.2 4,-2.1 1,-0.2 3,-0.3 0.879 107.0 51.9 -65.5 -40.1 23.2 89.9 -70.3 22 90 A N H X S+ 0 0 69 -4,-1.1 4,-2.1 1,-0.2 5,-0.2 0.912 102.3 57.6 -62.9 -45.2 23.0 91.4 -66.8 23 91 A Y H X S+ 0 0 132 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.784 110.4 45.3 -60.1 -29.4 24.7 94.6 -67.8 24 92 A I H X S+ 0 0 2 -4,-0.9 4,-0.7 -3,-0.3 -1,-0.2 0.906 110.7 53.0 -74.9 -45.5 22.0 95.1 -70.4 25 93 A D H X S+ 0 0 49 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.722 112.4 45.4 -65.1 -24.3 19.2 94.3 -68.0 26 94 A V H X S+ 0 0 68 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.903 114.1 46.8 -80.2 -48.4 20.6 96.8 -65.5 27 95 A A H X>S+ 0 0 6 -4,-1.5 6,-2.6 -5,-0.2 4,-0.7 0.515 114.7 51.3 -69.8 -4.9 21.0 99.5 -68.2 28 96 A Q H <5S+ 0 0 10 -4,-0.7 -1,-0.2 4,-0.2 -2,-0.2 0.784 106.5 49.6 -98.3 -38.8 17.5 98.6 -69.3 29 97 A Q H <5S+ 0 0 154 -4,-1.1 -2,-0.2 -5,-0.2 -3,-0.1 0.577 116.3 45.3 -77.8 -12.4 15.7 98.9 -65.9 30 98 A D H <5S- 0 0 113 -4,-1.0 -1,-0.2 3,-0.1 -2,-0.2 0.851 116.0-110.5 -90.9 -49.9 17.3 102.3 -65.4 31 99 A G T <5S+ 0 0 58 -4,-0.7 -3,-0.2 2,-0.2 -4,-0.1 0.399 81.6 120.3 129.6 6.3 16.7 103.7 -68.9 32 100 A K S - 0 0 19 -20,-0.1 4,-0.9 1,-0.1 -20,-0.1 -0.848 69.7-104.0-145.2-178.8 13.8 86.0 -84.0 93 177 A L H > S+ 0 0 43 -2,-0.2 4,-2.4 -22,-0.2 5,-0.2 0.877 113.5 57.1 -78.8 -40.2 16.2 83.7 -82.0 94 178 A E H > S+ 0 0 35 1,-0.2 4,-1.6 2,-0.2 868,-0.2 0.893 110.8 42.8 -60.1 -43.4 17.2 81.5 -84.9 95 179 A Q H > S+ 0 0 5 866,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.836 112.6 54.0 -71.7 -33.3 18.5 84.4 -87.0 96 180 A A H X S+ 0 0 0 -4,-0.9 4,-0.7 1,-0.2 -2,-0.2 0.839 112.5 44.1 -67.3 -35.1 20.1 85.9 -83.9 97 181 A Q H X S+ 0 0 9 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.780 106.3 62.8 -76.1 -29.7 21.9 82.6 -83.4 98 182 A A H X S+ 0 0 0 -4,-1.6 4,-0.9 -5,-0.2 -2,-0.2 0.781 95.5 59.1 -66.9 -29.4 22.7 82.4 -87.1 99 183 A I H >X S+ 0 0 2 -4,-1.2 4,-1.5 1,-0.2 3,-0.7 0.906 101.2 55.0 -66.0 -41.9 24.8 85.6 -86.9 100 184 A C H 3X S+ 0 0 5 -4,-0.7 4,-1.2 1,-0.2 -1,-0.2 0.894 100.9 60.2 -54.0 -43.4 27.1 83.8 -84.4 101 185 A K H 3X S+ 0 0 44 -4,-1.2 4,-0.7 1,-0.2 -1,-0.2 0.804 102.9 51.0 -55.7 -34.7 27.6 81.0 -86.9 102 186 A V H XX S+ 0 0 10 -4,-0.9 4,-2.2 -3,-0.7 3,-0.6 0.881 109.5 49.6 -72.0 -39.3 29.0 83.5 -89.4 103 187 A L H 3X S+ 0 0 11 -4,-1.5 4,-1.1 1,-0.2 -2,-0.2 0.677 98.4 71.1 -70.1 -19.2 31.4 84.8 -86.7 104 188 A S H 3< S+ 0 0 33 -4,-1.2 4,-0.4 -5,-0.2 -1,-0.2 0.847 113.9 23.4 -66.7 -35.7 32.4 81.2 -86.0 105 189 A T H < S+ 0 0 19 -4,-1.1 3,-0.8 1,-0.2 -1,-0.2 0.864 110.0 47.8 -73.0 -41.1 37.2 84.3 -86.8 108 192 A D T 34 S+ 0 0 129 -4,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.481 99.8 71.0 -77.1 -4.1 38.9 81.2 -88.4 109 193 A S T 3< 0 0 69 -4,-0.6 -1,-0.2 -61,-0.0 -2,-0.2 0.742 360.0 360.0 -80.5 -26.7 39.2 83.4 -91.6 110 194 A V < 0 0 135 -3,-0.8 -62,-0.0 -4,-0.4 0, 0.0 -0.687 360.0 360.0-105.7 360.0 41.9 85.5 -89.9 111 !* 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 0.0 112 60 0 C 0 0 127 0, 0.0 2,-0.3 0, 0.0 44,-0.2 0.000 360.0 360.0 360.0 131.8 47.8 116.0 -35.5 113 61 0 A - 0 0 26 42,-0.3 42,-1.8 99,-0.0 2,-0.3 -0.960 360.0-145.5-152.2 132.1 44.1 115.3 -35.0 114 62 0 E E -W 154 0D 143 -2,-0.3 2,-0.3 40,-0.2 40,-0.2 -0.776 17.9-179.3-104.4 142.0 41.4 117.2 -33.0 115 63 0 F E -W 153 0D 33 38,-2.2 38,-1.9 -2,-0.3 2,-0.6 -0.986 29.8-118.3-140.3 148.0 38.4 115.7 -31.1 116 64 0 R E +W 152 0D 174 -2,-0.3 88,-0.5 36,-0.2 2,-0.2 -0.766 49.6 153.1 -85.4 121.8 35.4 116.8 -29.1 117 65 0 I E -WX 151 203D 5 34,-2.1 34,-2.2 -2,-0.6 2,-0.4 -0.734 36.8-122.7-136.2-177.7 35.6 115.5 -25.5 118 66 0 K E -WX 150 202D 55 84,-2.0 84,-1.4 32,-0.2 2,-0.3 -0.998 19.0-131.3-135.2 139.8 34.6 116.1 -21.9 119 67 0 Y E + X 0 201D 46 30,-0.9 30,-0.3 -2,-0.4 82,-0.2 -0.719 29.8 168.0 -90.4 138.1 36.7 116.5 -18.7 120 68 0 V E - 0 0 16 80,-1.9 2,-0.2 -2,-0.3 -1,-0.1 0.458 40.9 -41.5-113.4-108.6 35.8 114.5 -15.6 121 69 0 G E - 0 0 11 22,-0.1 79,-1.6 25,-0.0 2,-0.3 -0.506 42.3-126.5-122.2-172.2 37.9 114.0 -12.4 122 70 0 A E X 0 199D 52 77,-0.2 77,-0.2 -2,-0.2 0, 0.0 -0.992 360.0 360.0-146.7 133.5 41.4 113.3 -11.2 123 71 0 I 0 0 66 75,-1.6 76,-0.1 -2,-0.3 -1,-0.1 0.444 360.0 360.0-137.4 360.0 43.1 110.8 -8.9 124 ! 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 0.0 125 84 0 G 0 0 39 0, 0.0 4,-0.4 0, 0.0 51,-0.0 0.000 360.0 360.0 360.0-147.1 47.2 96.3 -16.9 126 85 0 P + 0 0 17 0, 0.0 1253,-0.1 0, 0.0 4,-0.1 0.838 360.0 16.4 -75.0 -33.6 44.6 97.3 -19.5 127 86 0 L S > S+ 0 0 40 2,-0.2 4,-1.8 3,-0.1 5,-0.1 0.576 115.6 68.0-115.8 -20.0 41.6 96.6 -17.1 128 87 0 D T 4 S+ 0 0 113 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.795 102.4 52.5 -67.4 -29.7 43.4 96.4 -13.8 129 88 0 L T >> S+ 0 0 21 -4,-0.4 3,-0.7 2,-0.2 4,-0.6 0.806 104.2 57.3 -71.3 -34.0 43.9 100.1 -14.4 130 89 0 I H >> S+ 0 0 3 1,-0.2 3,-1.6 2,-0.2 4,-1.3 0.947 99.9 55.2 -62.0 -51.2 40.1 100.5 -15.0 131 90 0 N H 3X S+ 0 0 76 -4,-1.8 4,-0.6 1,-0.3 -1,-0.2 0.535 94.7 71.0 -66.3 -5.8 39.1 99.1 -11.6 132 91 0 Y H <> S+ 0 0 152 -3,-0.7 4,-0.6 -4,-0.2 -1,-0.3 0.862 105.7 37.1 -73.3 -39.0 41.3 101.8 -9.9 133 92 0 I H S+ 0 0 16 -4,-0.6 6,-1.4 1,-0.2 4,-1.1 0.833 106.1 47.1 -65.2 -34.0 37.0 106.2 -6.8 137 96 0 Q H <5S+ 0 0 25 -4,-1.8 -1,-0.2 4,-0.2 -2,-0.2 0.843 107.1 57.9 -72.5 -36.3 33.5 106.7 -8.2 138 97 0 Q H <5S+ 0 0 158 -4,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.787 104.3 50.6 -66.7 -32.3 32.0 104.4 -5.5 139 98 0 D H <5S- 0 0 113 -4,-1.4 -1,-0.2 1,-0.0 -2,-0.2 0.893 115.0-113.8 -71.8 -43.5 33.3 106.6 -2.6 140 99 0 G T <5S+ 0 0 57 -4,-1.1 -3,-0.1 -5,-0.1 -2,-0.1 0.280 89.1 104.2 128.7 -7.7 32.0 109.8 -4.1 141 100 0 K S > -Z 159 0D 39 -2,-0.4 3,-1.3 -11,-0.2 4,-1.2 -0.369 16.6-127.3 -71.9 145.5 54.0 115.2 -22.9 171 135 0 L T 34 S+ 0 0 10 -13,-1.9 -12,-0.1 1,-0.3 -1,-0.1 0.755 109.7 60.0 -64.8 -28.5 54.3 112.1 -25.1 172 136 0 Y T 34 S+ 0 0 209 -14,-0.4 -1,-0.3 1,-0.2 -13,-0.1 0.746 109.6 44.1 -68.2 -25.1 57.5 111.0 -23.3 173 137 0 L T <4 S+ 0 0 112 -3,-1.3 2,-0.2 22,-0.1 -2,-0.2 0.660 96.1 90.9 -93.1 -22.3 55.4 110.9 -20.1 174 138 0 I < + 0 0 0 -4,-1.2 21,-0.2 21,-0.2 3,-0.1 -0.565 40.5 151.6 -75.6 138.0 52.4 109.1 -21.7 175 139 0 I + 0 0 70 19,-1.1 1208,-0.6 -2,-0.2 2,-0.4 0.604 60.0 20.3-131.9 -48.7 52.5 105.3 -21.5 176 140 0 R E -A 1382 0D 68 18,-0.4 2,-0.5 1206,-0.2 18,-0.3 -0.929 55.1-171.5-142.4 111.3 49.1 103.6 -21.5 177 141 0 X E -A 1381 0D 0 1204,-0.6 1204,-1.2 -2,-0.4 2,-0.4 -0.884 10.2-169.5-104.2 131.3 45.8 105.1 -22.6 178 142 0 V E -AB1380 192D 2 14,-2.2 14,-4.3 -2,-0.5 2,-0.4 -0.982 8.5-179.9-126.6 126.9 42.6 103.1 -21.9 179 143 0 C E +A 1379 0D 3 1200,-1.3 1200,-1.4 -2,-0.4 2,-0.3 -0.995 13.5 160.5-125.5 133.7 39.1 103.8 -23.2 180 144 0 Y E -A 1378 0D 10 10,-0.4 10,-1.3 -2,-0.4 2,-0.2 -0.942 43.4 -81.8-146.2 164.7 36.0 101.7 -22.3 181 145 0 D B -E 189 0E 46 1196,-0.9 8,-0.2 -2,-0.3 1642,-0.1 -0.484 25.1-155.1 -72.9 135.7 32.2 101.8 -22.3 182 146 0 D - 0 0 36 6,-3.3 -1,-0.1 -2,-0.2 7,-0.1 0.910 13.1-165.3 -74.4 -45.5 30.6 103.5 -19.3 183 147 0 G + 0 0 52 5,-0.5 6,-0.1 3,-0.1 -2,-0.1 0.754 41.1 135.0 63.3 27.0 27.3 101.6 -19.6 184 148 0 L S S- 0 0 64 2,-0.3 -1,-0.0 4,-0.1 2206,-0.0 0.981 95.8 -41.2 -66.6 -58.2 25.6 104.0 -17.3 185 149 0 G 0 0 26 1,-0.4 2225,-0.0 2205,-0.1 0, 0.0 0.469 360.0 360.0-134.3 -37.9 22.5 104.2 -19.5 186 150 0 A 0 0 42 0, 0.0 -1,-0.4 0, 0.0 -2,-0.3 -0.994 360.0 360.0-154.5 360.0 23.9 104.3 -23.1 187 ! 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 0.0 188 152 0 K 0 0 61 0, 0.0 -6,-3.3 0, 0.0 -5,-0.5 0.000 360.0 360.0 360.0 136.2 29.2 106.6 -23.7 189 153 0 S B -E 181 0E 0 14,-1.2 14,-0.4 16,-0.4 -8,-0.2 -0.425 360.0-157.7 -91.8 165.1 33.0 106.3 -23.4 190 154 0 L - 0 0 5 -10,-1.3 2,-0.4 12,-0.2 -10,-0.4 -0.584 18.2-174.4-141.9 70.8 35.4 106.6 -20.5 191 155 0 L E - C 0 201D 1 10,-1.6 10,-2.2 -12,-0.2 2,-0.4 -0.592 5.9-165.0 -77.6 122.5 38.8 107.4 -21.9 192 156 0 A E -BC 178 200D 1 -14,-4.3 -14,-2.2 -2,-0.4 2,-0.4 -0.892 6.2-151.8-114.4 138.2 41.6 107.5 -19.3 193 157 0 L E - 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