==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 10-JUL-12 4G1E . COMPND 2 MOLECULE: INTEGRIN ALPHA-V; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.DONG,L.MI,J.ZHU,W.WANG,B.LUO,T.A.SPRINGER . 1673 9 38 32 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 75525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1057 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 426 25.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 166 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 135 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 0.9 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 6 3 3 1 1 1 2 0 2 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 2 2 1 2 2 1 1 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 . 16 6 5 11 17 10 2 3 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 9 2 10 3 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 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 1 A F 0 0 27 0, 0.0 389,-0.1 0, 0.0 388,-0.0 0.000 360.0 360.0 360.0 -15.7 26.9 -47.0 43.5 2 2 A N + 0 0 0 2,-0.1 436,-2.9 436,-0.0 2,-0.1 0.478 360.0 119.5 -94.4 -3.2 29.7 -47.9 46.0 3 3 A L B -A 437 0A 2 434,-0.3 2,-0.9 1,-0.1 434,-0.2 -0.378 67.9-121.4 -63.7 139.1 31.1 -44.4 46.4 4 4 A D + 0 0 12 432,-3.1 432,-0.4 1,-0.2 -1,-0.1 -0.745 40.0 163.6 -88.9 107.2 30.9 -43.0 49.9 5 5 A V + 0 0 80 -2,-0.9 -1,-0.2 1,-0.1 -2,-0.0 0.423 58.3 92.2 -94.8 -2.9 28.9 -39.8 50.0 6 6 A D S S- 0 0 114 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.0 0.973 109.2 -7.4 -54.4 -64.1 28.5 -40.2 53.8 7 7 A S S S+ 0 0 87 -3,-0.0 -1,-0.2 2,-0.0 -2,-0.1 -0.597 79.5 176.7-141.1 75.5 31.6 -38.1 54.8 8 8 A P - 0 0 25 0, 0.0 2,-0.4 0, 0.0 427,-0.2 -0.345 35.8-103.0 -75.5 160.0 33.7 -37.1 51.8 9 9 A A E -B 434 0B 17 425,-1.1 425,-2.4 -2,-0.1 2,-0.4 -0.701 34.2-155.9 -88.0 135.3 36.8 -34.9 52.2 10 10 A E E -B 433 0B 80 -2,-0.4 2,-0.4 423,-0.2 423,-0.2 -0.926 8.7-171.3-117.1 135.3 36.4 -31.2 51.2 11 11 A Y E -B 432 0B 5 421,-3.6 421,-2.6 -2,-0.4 2,-0.3 -0.953 6.0-166.6-126.8 144.4 39.2 -28.9 50.1 12 12 A S E -B 431 0B 65 -2,-0.4 419,-0.2 419,-0.2 55,-0.2 -0.806 5.5-168.7-129.4 165.5 39.0 -25.1 49.5 13 13 A G - 0 0 19 417,-1.7 4,-0.1 -2,-0.3 3,-0.1 -0.925 46.1 -52.8-147.1 171.0 41.0 -22.3 47.9 14 14 A P > - 0 0 68 0, 0.0 3,-1.7 0, 0.0 5,-0.4 -0.186 66.2-105.1 -49.8 128.3 41.1 -18.5 47.7 15 15 A E T 3 S+ 0 0 174 1,-0.3 414,-0.1 2,-0.1 413,-0.1 -0.304 105.5 21.1 -59.5 135.2 37.8 -17.1 46.6 16 16 A G T 3 S+ 0 0 42 411,-0.2 -1,-0.3 412,-0.1 412,-0.0 0.559 95.5 103.6 82.7 9.8 37.8 -15.9 43.0 17 17 A S S < S- 0 0 2 -3,-1.7 25,-1.5 -4,-0.1 26,-0.6 0.393 88.8-123.8-100.3 0.1 40.8 -18.1 42.2 18 18 A Y > - 0 0 29 409,-0.3 3,-1.2 24,-0.2 2,-0.4 0.873 38.1-169.9 55.5 39.0 38.7 -20.7 40.4 19 19 A F T 3 + 0 0 0 -5,-0.4 412,-0.5 1,-0.3 21,-0.2 -0.468 69.8 29.0 -61.2 117.2 40.1 -23.3 42.8 20 20 A G T 3 S+ 0 0 0 19,-1.5 407,-0.5 -2,-0.4 -1,-0.3 0.659 75.8 124.9 101.5 22.1 39.1 -26.7 41.4 21 21 A F S < S+ 0 0 4 18,-1.6 2,-0.3 -3,-1.2 19,-0.1 0.760 84.4 20.2 -78.9 -27.4 38.9 -25.7 37.7 22 22 A A E S+E 39 0C 9 17,-0.8 17,-2.9 -4,-0.2 2,-0.3 -0.996 76.0 178.8-142.2 142.3 41.3 -28.6 37.0 23 23 A V E +E 38 0C 12 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.967 9.4 153.0-145.5 157.7 42.1 -31.7 39.0 24 24 A D E -E 37 0C 3 13,-1.5 13,-2.5 -2,-0.3 2,-0.2 -0.956 39.3 -96.4-173.0 162.0 44.2 -34.9 39.1 25 25 A F E -E 36 0C 7 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.528 24.9-142.6 -84.5 156.1 45.9 -37.4 41.4 26 26 A F E +E 35 0C 30 9,-1.8 9,-1.2 -2,-0.2 77,-0.1 -0.950 25.7 166.9-121.3 112.4 49.6 -37.3 42.4 27 27 A V - 0 0 46 -2,-0.5 77,-0.2 75,-0.5 75,-0.1 -0.835 17.1-179.9-128.1 92.9 51.2 -40.7 42.7 28 28 A P - 0 0 36 0, 0.0 75,-0.3 0, 0.0 -1,-0.1 0.567 40.6-149.3 -65.0 -6.4 55.0 -40.7 42.9 29 29 A S + 0 0 68 3,-0.2 3,-0.1 73,-0.2 -3,-0.0 -0.251 68.1 109.9 69.1-156.8 54.6 -44.4 43.1 30 30 A A S S- 0 0 84 1,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 0.843 117.3 -73.1 52.5 33.3 57.1 -46.6 45.0 31 31 A S S S+ 0 0 113 1,-0.2 2,-0.3 -4,-0.0 -1,-0.2 0.957 94.1 158.0 40.9 74.9 54.1 -47.0 47.3 32 32 A S - 0 0 53 1,-0.2 -3,-0.2 -3,-0.1 -1,-0.2 -0.859 45.2 -58.2-130.8 155.2 54.5 -43.4 48.6 33 33 A R - 0 0 130 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.160 57.0-129.7 -23.4 139.9 52.5 -40.6 50.3 34 34 A M + 0 0 15 -7,-0.1 27,-0.7 380,-0.1 28,-0.4 -0.754 26.9 176.8-107.8 151.2 49.5 -39.5 48.3 35 35 A F E -EF 26 60C 30 -9,-1.2 -9,-1.8 -2,-0.3 2,-0.4 -0.963 24.3-128.9-144.5 161.4 48.3 -36.0 47.3 36 36 A L E -EF 25 59C 1 23,-2.2 23,-2.5 -2,-0.3 2,-0.5 -0.909 19.9-145.7-109.6 144.3 45.6 -34.3 45.4 37 37 A L E -EF 24 58C 2 -13,-2.5 -13,-1.5 -2,-0.4 2,-0.4 -0.946 17.6-179.1-113.9 125.2 46.4 -31.7 42.7 38 38 A V E -EF 23 57C 2 19,-2.3 19,-2.7 -2,-0.5 2,-0.4 -0.985 15.9-145.3-128.1 127.7 44.1 -28.7 42.2 39 39 A G E -EF 22 56C 0 -17,-2.9 -18,-1.6 -2,-0.4 -19,-1.5 -0.753 12.5-175.9 -94.2 135.2 44.5 -25.9 39.6 40 40 A A E > + F 0 55C 0 15,-2.7 15,-1.8 -2,-0.4 3,-1.8 -0.757 2.6 179.3-130.8 84.8 43.5 -22.4 40.4 41 41 A P T 3 S+ 0 0 0 0, 0.0 53,-0.5 0, 0.0 52,-0.5 0.750 82.7 46.0 -61.1 -29.4 44.0 -20.2 37.2 42 42 A K T 3 S+ 0 0 54 -25,-1.5 2,-0.4 51,-0.2 -24,-0.2 0.187 82.3 128.6-100.8 16.4 42.8 -17.0 38.8 43 43 A A < - 0 0 0 -3,-1.8 11,-2.7 -26,-0.6 2,-0.3 -0.581 63.9-120.4 -75.2 126.3 44.8 -17.4 42.0 44 44 A N - 0 0 109 -2,-0.4 2,-0.2 8,-0.3 7,-0.1 -0.503 35.5-156.5 -65.6 127.3 46.9 -14.3 42.9 45 45 A T - 0 0 24 5,-0.4 5,-0.2 -2,-0.3 7,-0.1 -0.516 27.4-120.7-104.0 171.6 50.6 -15.3 43.1 46 46 A T S S+ 0 0 116 -2,-0.2 3,-0.1 2,-0.1 28,-0.1 0.430 70.7 127.2 -88.4 -1.2 53.6 -13.9 44.8 47 47 A Q S > S- 0 0 16 26,-0.1 3,-1.4 1,-0.1 28,-0.2 -0.415 75.2 -98.9 -61.7 123.0 55.3 -13.5 41.4 48 48 A P T 3 S- 0 0 89 0, 0.0 29,-0.4 0, 0.0 -1,-0.1 -0.131 98.7 -3.2 -51.0 129.1 56.5 -9.8 41.3 49 49 A G T 3 S+ 0 0 73 1,-0.2 2,-0.4 27,-0.1 41,-0.2 0.828 103.3 121.9 59.8 36.2 54.1 -7.5 39.4 50 50 A I < - 0 0 10 -3,-1.4 3,-0.5 -5,-0.2 -5,-0.4 -0.961 45.5-159.5-135.1 118.1 51.8 -10.3 38.4 51 51 A V S S- 0 0 75 -2,-0.4 40,-2.1 1,-0.2 41,-0.2 -0.796 76.1 -7.1-100.5 135.0 48.1 -10.4 39.2 52 52 A E S S+ 0 0 48 -2,-0.4 41,-0.7 38,-0.2 -8,-0.3 0.889 75.3 165.1 49.3 44.7 46.1 -13.7 39.2 53 53 A G - 0 0 0 -3,-0.5 41,-1.2 38,-0.2 -9,-0.2 0.729 44.1-127.7 -60.6 -21.9 49.1 -15.4 37.8 54 54 A G - 0 0 0 -11,-2.7 2,-0.3 39,-0.2 41,-0.2 0.235 27.5-155.3 84.4 149.5 47.4 -18.7 38.7 55 55 A Q E -F 40 0C 36 -15,-1.8 -15,-2.7 39,-0.3 2,-0.5 -0.987 15.0-128.8-156.2 158.3 48.8 -21.6 40.7 56 56 A V E -FG 39 70C 1 14,-0.7 14,-2.9 -2,-0.3 2,-0.3 -0.967 27.2-152.1-115.9 123.8 48.5 -25.3 41.3 57 57 A L E -FG 38 69C 7 -19,-2.7 -19,-2.3 -2,-0.5 2,-0.7 -0.702 9.7-141.1-101.4 146.2 48.1 -26.5 44.9 58 58 A K E -FG 37 68C 64 10,-2.0 10,-2.1 -2,-0.3 2,-0.5 -0.883 21.6-156.3-104.8 103.7 49.1 -29.8 46.4 59 59 A a E -FG 36 67C 0 -23,-2.5 -23,-2.2 -2,-0.7 2,-0.6 -0.689 12.6-132.5 -87.6 124.6 46.4 -30.8 48.9 60 60 A D E -FG 35 66C 24 6,-1.7 6,-0.5 -2,-0.5 -25,-0.2 -0.637 20.4-173.0 -74.3 118.5 47.4 -33.2 51.7 61 61 A W + 0 0 64 -27,-0.7 -1,-0.2 -2,-0.6 -26,-0.1 0.936 58.3 87.5 -78.4 -50.1 44.8 -36.0 51.9 62 62 A S S S- 0 0 36 -28,-0.4 2,-0.1 3,-0.0 -2,-0.0 -0.280 109.4 -40.2 -55.9 126.9 46.0 -37.8 55.0 63 63 A S S S+ 0 0 110 2,-0.1 0, 0.0 -2,-0.0 0, 0.0 -0.309 122.7 46.8 58.5-121.1 44.5 -36.2 58.1 64 64 A T S S- 0 0 91 -2,-0.1 2,-0.9 1,-0.1 -4,-0.0 -0.156 76.6-133.0 -57.4 143.3 44.4 -32.4 58.0 65 65 A R + 0 0 134 -6,-0.1 2,-0.4 -55,-0.1 -53,-0.2 -0.818 47.3 144.9 -99.9 94.7 43.0 -30.9 54.8 66 66 A R E -G 60 0C 163 -2,-0.9 -6,-1.7 -6,-0.5 2,-0.5 -0.983 38.8-143.4-137.3 125.6 45.5 -28.1 53.9 67 67 A a E -G 59 0C 12 -2,-0.4 -8,-0.2 -8,-0.2 -30,-0.0 -0.760 10.9-165.2 -93.0 122.8 46.6 -27.1 50.4 68 68 A Q E -G 58 0C 106 -10,-2.1 -10,-2.0 -2,-0.5 -2,-0.0 -0.912 24.2-124.9-110.0 108.4 50.2 -26.1 49.9 69 69 A P E -G 57 0C 64 0, 0.0 2,-0.7 0, 0.0 -12,-0.3 -0.204 14.9-137.8 -53.2 131.8 50.8 -24.3 46.5 70 70 A I E -G 56 0C 21 -14,-2.9 2,-0.7 2,-0.0 -14,-0.7 -0.857 17.0-148.7 -92.0 117.8 53.4 -25.8 44.3 71 71 A E + 0 0 110 -2,-0.7 3,-0.2 1,-0.2 -16,-0.1 -0.784 28.0 166.1 -95.3 111.7 55.6 -23.0 42.8 72 72 A F S S+ 0 0 23 -2,-0.7 2,-0.4 1,-0.3 -1,-0.2 0.845 77.9 20.2 -84.8 -41.0 56.9 -23.7 39.4 73 73 A D + 0 0 24 1,-0.1 -1,-0.3 2,-0.1 -26,-0.1 -0.969 53.1 171.1-137.3 118.5 57.9 -20.1 38.7 74 74 A A + 0 0 51 -2,-0.4 -1,-0.1 -3,-0.2 -2,-0.0 0.631 56.4 96.3 -96.3 -18.5 58.5 -17.4 41.3 75 75 A T - 0 0 78 -28,-0.2 3,-0.1 1,-0.1 -28,-0.1 -0.152 67.5-130.7 -71.3 165.9 59.9 -14.8 38.9 76 76 A G - 0 0 14 1,-0.2 2,-0.6 -29,-0.1 -27,-0.1 0.135 56.7 -36.9 -91.6-148.8 58.0 -12.0 37.3 77 77 A N - 0 0 44 -29,-0.4 -1,-0.2 -28,-0.1 11,-0.0 -0.690 62.8-131.3 -81.2 120.1 57.9 -11.0 33.6 78 78 A R - 0 0 55 -2,-0.6 8,-3.3 7,-0.1 9,-1.1 -0.182 25.3-114.3 -62.3 163.0 61.3 -11.4 31.9 79 79 A D E -H 85 0D 99 6,-0.3 3,-0.1 7,-0.2 -1,-0.1 -0.874 22.2-169.3-112.0 135.0 62.6 -8.5 29.8 80 80 A Y E S- 0 0 94 4,-2.8 2,-0.3 -2,-0.4 -1,-0.1 0.746 84.0 -25.9 -81.3 -29.2 63.2 -8.2 26.1 81 81 A A E > S-H 84 0D 46 3,-1.6 3,-2.2 0, 0.0 -1,-0.3 -0.952 97.9 -44.2-167.7 178.1 64.9 -4.9 26.8 82 82 A K T 3 S- 0 0 186 1,-0.3 -2,-0.0 -2,-0.3 0, 0.0 -0.374 130.0 -3.9 -58.9 125.6 65.1 -2.0 29.2 83 83 A D T 3 S+ 0 0 147 -2,-0.1 -1,-0.3 1,-0.1 -4,-0.0 0.833 113.2 111.7 57.2 33.3 61.6 -1.0 30.1 84 84 A D E < -H 81 0D 27 -3,-2.2 -4,-2.8 36,-0.0 -3,-1.6 -0.714 61.4-147.0-140.4 85.5 60.4 -3.6 27.6 85 85 A P E -H 79 0D 55 0, 0.0 -6,-0.3 0, 0.0 -7,-0.1 -0.245 4.3-159.9 -54.4 132.4 58.7 -6.7 29.1 86 86 A L S S+ 0 0 0 -8,-3.3 29,-1.0 1,-0.1 2,-0.3 0.824 72.6 14.6 -80.7 -35.9 59.3 -9.9 27.2 87 87 A E E -I 114 0E 0 -9,-1.1 2,-0.4 27,-0.2 27,-0.2 -0.822 61.6-138.5-136.6 170.9 56.3 -11.7 28.6 88 88 A F E +I 113 0E 32 25,-0.6 25,-1.6 -2,-0.3 -38,-0.1 -0.901 20.5 169.2-138.9 107.7 53.0 -11.1 30.5 89 89 A K > + 0 0 1 -2,-0.4 3,-1.5 23,-0.2 2,-0.3 0.470 42.5 115.0 -99.2 -4.2 52.0 -13.6 33.2 90 90 A S T 3 S- 0 0 31 1,-0.3 -38,-0.2 -41,-0.2 -37,-0.1 -0.520 94.7 -1.7 -69.2 129.5 49.2 -11.6 34.6 91 91 A H T 3 S+ 0 0 90 -40,-2.1 -1,-0.3 -2,-0.3 -38,-0.2 0.805 88.2 143.4 59.5 30.4 45.8 -13.4 34.1 92 92 A Q < - 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