==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 10-JUL-08 2VXV . COMPND 2 MOLECULE: HUMAN IGG ABT-325; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.ARGIRIADI,T.XIANG,C.WU,T.GHAYUR,D.W.BORHANI . 436 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20063.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 173 39.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 33 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 3 2 7 4 5 8 0 0 1 1 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 5 1 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 1 H E 0 0 190 0, 0.0 2,-0.5 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 131.9 12.4 28.5 11.5 2 2 H V + 0 0 54 24,-0.1 2,-0.3 22,-0.1 24,-0.2 -0.621 360.0 148.5 -79.8 118.4 16.0 27.8 10.3 3 3 H Q E -A 25 0A 76 22,-2.4 22,-2.5 -2,-0.5 2,-0.4 -0.993 44.1-145.4-151.9 158.9 15.9 24.8 7.9 4 4 H L E -A 24 0A 7 107,-0.4 2,-0.5 -2,-0.3 109,-0.4 -0.998 20.9-161.9-121.0 129.4 17.3 23.1 4.9 5 5 H V E -A 23 0A 65 18,-2.6 18,-2.9 -2,-0.4 2,-0.2 -0.959 6.6-157.7-119.7 119.7 14.8 21.2 2.7 6 6 H Q E -A 22 0A 8 -2,-0.5 16,-0.2 16,-0.2 89,-0.0 -0.625 22.8-100.9 -95.9 158.7 16.1 18.5 0.3 7 7 H S - 0 0 30 14,-1.8 -1,-0.1 -2,-0.2 3,-0.1 -0.167 50.7 -81.6 -72.8 169.7 14.5 17.1 -2.8 8 8 H G - 0 0 49 1,-0.2 -1,-0.1 107,-0.1 13,-0.1 -0.049 55.2 -64.7 -80.2 173.4 12.8 13.8 -2.9 9 9 H T - 0 0 106 106,-0.1 2,-0.4 105,-0.1 108,-0.2 -0.177 50.6-153.5 -55.2 137.6 13.8 10.2 -3.2 10 10 H E E -d 117 0B 46 106,-2.7 108,-2.3 -3,-0.1 2,-0.4 -0.952 15.7-172.6-118.0 139.0 15.5 9.2 -6.6 11 11 H V E +d 118 0B 64 -2,-0.4 2,-0.3 106,-0.2 108,-0.2 -0.985 26.3 162.4-129.7 116.2 15.6 5.9 -8.3 12 12 H K E -d 119 0B 51 106,-3.0 108,-2.5 -2,-0.4 6,-0.0 -0.795 34.6-117.6-132.6 168.2 17.9 5.9 -11.4 13 13 H K > - 0 0 77 -2,-0.3 3,-2.0 106,-0.2 73,-0.3 -0.792 45.8 -87.1-105.5 149.1 19.8 3.7 -13.8 14 14 H P T 3 S+ 0 0 56 0, 0.0 73,-0.2 0, 0.0 3,-0.1 -0.310 115.2 29.0 -52.6 137.9 23.6 3.6 -14.3 15 15 H G T 3 S+ 0 0 47 71,-2.8 2,-0.1 1,-0.4 72,-0.1 0.225 92.2 120.0 94.0 -17.0 24.6 6.2 -16.9 16 16 H E < - 0 0 78 -3,-2.0 70,-2.8 70,-0.1 -1,-0.4 -0.486 62.1-121.7 -74.4 154.8 21.8 8.7 -16.2 17 17 H S - 0 0 78 68,-0.2 2,-0.3 -2,-0.1 67,-0.2 -0.552 29.3-172.4 -88.8 162.8 22.4 12.2 -15.0 18 18 H L E - B 0 83A 11 65,-2.3 65,-2.6 -2,-0.2 2,-0.4 -0.965 16.1-172.2-159.2 136.5 21.0 13.5 -11.7 19 19 H K E - B 0 82A 103 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.996 11.8-173.7-130.6 123.0 20.7 16.9 -9.9 20 20 H I E - B 0 81A 1 61,-2.7 61,-2.0 -2,-0.4 2,-0.3 -0.841 13.3-141.5-114.6 158.0 19.4 17.0 -6.3 21 21 H S E - B 0 80A 34 -2,-0.3 -14,-1.8 59,-0.2 2,-0.3 -0.827 17.2-162.9-128.5 162.5 18.7 20.2 -4.3 22 22 H a E -AB 6 79A 0 57,-2.3 57,-2.5 -2,-0.3 2,-0.5 -0.906 16.4-165.9-146.1 101.8 19.0 21.7 -0.9 23 23 H K E -AB 5 78A 113 -18,-2.9 -18,-2.6 -2,-0.3 2,-0.3 -0.845 7.2-150.1-102.0 126.3 16.9 24.9 -0.2 24 24 H G E +A 4 0A 1 53,-2.6 2,-0.3 -2,-0.5 -20,-0.2 -0.681 20.1 169.2 -90.4 144.3 17.6 27.1 2.8 25 25 H S E +A 3 0A 45 -22,-2.5 -22,-2.4 -2,-0.3 3,-0.1 -0.980 52.5 39.7-146.5 160.6 14.9 29.1 4.6 26 26 H G S S+ 0 0 55 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.1 0.532 109.2 54.6 79.9 6.5 14.5 31.1 7.8 27 27 H Y S S- 0 0 34 -24,-0.1 2,-1.2 -26,-0.1 -1,-0.2 -0.948 101.3 -80.1-157.6 172.2 18.1 32.5 7.6 28 28 H T > - 0 0 88 -2,-0.3 3,-1.9 1,-0.2 4,-0.2 -0.686 41.1-167.8 -85.2 98.1 20.3 34.4 5.2 29 29 H V G > S+ 0 0 1 -2,-1.2 3,-1.2 1,-0.3 25,-0.3 0.806 80.5 60.7 -62.1 -31.2 21.4 31.7 2.9 30 30 H T G 3 S+ 0 0 48 1,-0.2 -1,-0.3 23,-0.2 24,-0.2 0.414 96.4 62.5 -80.1 2.7 24.2 33.7 1.3 31 31 H S G < S+ 0 0 62 -3,-1.9 2,-0.3 22,-0.1 -1,-0.2 0.422 100.1 54.7-103.4 -2.5 26.0 34.2 4.6 32 32 H Y S < S- 0 0 56 -3,-1.2 22,-0.2 -4,-0.2 2,-0.2 -0.971 77.0-118.7-133.2 146.9 26.8 30.6 5.3 33 33 H W - 0 0 39 -2,-0.3 66,-2.6 66,-0.3 2,-0.4 -0.501 23.8-146.7 -73.0 150.3 28.5 27.7 3.6 34 34 H I E -EF 51 98B 0 17,-2.7 17,-2.5 64,-0.2 2,-0.3 -0.940 11.3-158.2-114.2 140.4 26.6 24.5 2.8 35 35 H G E -EF 50 97B 0 62,-2.9 62,-1.8 -2,-0.4 2,-0.4 -0.882 7.9-142.4-113.4 152.0 28.2 21.1 2.9 36 36 H W E -EF 49 96B 0 13,-2.3 12,-2.9 -2,-0.3 13,-1.1 -0.966 17.5-170.5-111.2 137.7 27.2 17.9 1.2 37 37 H V E -EF 47 95B 0 58,-2.8 58,-3.1 -2,-0.4 2,-0.4 -0.986 9.5-149.4-133.3 131.2 27.7 14.5 3.0 38 38 H R E -EF 46 94B 33 8,-2.7 8,-2.1 -2,-0.4 2,-0.4 -0.849 10.0-174.6-100.8 140.3 27.3 11.0 1.6 39 39 H Q E - F 0 93B 26 54,-2.8 54,-2.6 -2,-0.4 6,-0.1 -0.859 13.3-156.1-136.0 101.2 26.2 8.0 3.7 40 40 H M > - 0 0 54 4,-0.4 3,-2.6 -2,-0.4 52,-0.2 -0.303 45.2 -69.3 -72.6 159.4 26.3 4.7 1.8 41 41 H P T 3 S- 0 0 85 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.257 120.2 -1.6 -58.0 125.4 24.1 1.9 2.9 42 42 H G T 3 S+ 0 0 81 1,-0.2 2,-0.2 -3,-0.1 -2,-0.1 0.515 116.5 104.0 75.1 8.3 25.2 0.6 6.3 43 43 H K < - 0 0 134 -3,-2.6 -1,-0.2 1,-0.2 282,-0.0 -0.520 67.6 -99.9-115.8 179.2 28.2 3.0 6.4 44 44 H G - 0 0 7 -2,-0.2 -4,-0.4 1,-0.1 2,-0.3 0.039 49.7 -66.6 -88.8-167.4 29.2 6.3 8.1 45 45 H L - 0 0 4 278,-0.4 2,-0.4 -6,-0.1 277,-0.3 -0.707 41.8-170.2 -90.4 138.1 29.3 9.9 7.0 46 46 H E E -E 38 0B 48 -8,-2.1 -8,-2.7 -2,-0.3 2,-0.4 -0.986 19.9-132.3-130.0 126.2 31.6 11.2 4.3 47 47 H W E +E 37 0B 21 -2,-0.4 -10,-0.2 -10,-0.2 16,-0.2 -0.593 24.6 176.5 -77.3 129.5 32.2 14.8 3.5 48 48 H M E - 0 0 1 -12,-2.9 13,-2.5 -2,-0.4 16,-0.3 0.805 52.3 -54.9 -98.3 -47.7 31.9 15.6 -0.3 49 49 H G E -EG 36 60B 0 -13,-1.1 -13,-2.3 11,-0.3 -1,-0.4 -0.939 40.2-116.1 177.1 169.1 32.4 19.4 -0.5 50 50 H F E -EG 35 59B 0 9,-2.6 9,-2.3 -2,-0.3 2,-0.3 -0.930 18.6-169.3-119.8 150.0 31.3 22.9 0.5 51 51 H I E -EG 34 58B 1 -17,-2.5 -17,-2.7 -2,-0.3 7,-0.2 -0.995 17.9-144.7-135.1 145.5 29.8 25.7 -1.5 52 52 H Y E >>> - G 0 57B 66 5,-2.3 4,-2.3 -2,-0.3 3,-1.8 -0.909 15.3-158.0-102.1 100.0 29.2 29.4 -0.4 53 52AH P T 345S+ 0 0 2 0, 0.0 21,-0.3 0, 0.0 -23,-0.2 0.772 82.6 71.8 -58.3 -25.0 26.0 30.2 -2.2 54 53 H G T 345S+ 0 0 16 -25,-0.3 -24,-0.1 -22,-0.2 -23,-0.1 0.814 126.7 0.7 -59.3 -28.0 26.6 34.0 -2.1 55 54 H D T <45S- 0 0 97 -3,-1.8 -1,-0.2 2,-0.1 17,-0.0 0.378 96.1-113.7-142.5 5.8 29.3 33.6 -4.8 56 55 H S T <5 + 0 0 58 -4,-2.3 2,-0.1 1,-0.2 14,-0.1 0.595 53.4 163.8 64.9 18.4 29.5 29.9 -5.6 57 56 H E E < -G 52 0B 80 -5,-0.6 -5,-2.3 -6,-0.1 2,-0.3 -0.459 21.4-158.3 -60.9 133.9 33.0 29.4 -4.2 58 57 H T E -G 51 0B 54 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.895 23.0-171.5-121.3 147.2 33.5 25.7 -3.8 59 58 H R E -G 50 0B 93 -9,-2.3 -9,-2.6 -2,-0.3 2,-0.2 -0.906 21.3-164.3-134.4 103.6 35.9 23.6 -1.7 60 59 H Y E -G 49 0B 42 -2,-0.4 -11,-0.3 -11,-0.3 -12,-0.1 -0.614 23.0-113.0 -87.0 149.9 35.7 19.9 -2.7 61 60 H S >> - 0 0 3 -13,-2.5 4,-2.0 -2,-0.2 3,-0.9 -0.548 30.1-120.7 -67.1 144.2 37.0 16.9 -0.8 62 61 H P T 34 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -14,-0.1 0.815 112.9 58.2 -55.3 -34.3 39.9 15.3 -2.6 63 62 H T T 34 S+ 0 0 75 -16,-0.2 -15,-0.1 1,-0.2 -3,-0.0 0.818 116.8 31.5 -63.4 -32.9 37.8 12.1 -2.8 64 63 H F T X> S+ 0 0 12 -3,-0.9 3,-2.5 -16,-0.3 4,-1.1 0.569 83.5 121.4-108.1 -14.1 35.0 13.8 -4.7 65 64 H Q T 3< S+ 0 0 112 -4,-2.0 4,-0.1 1,-0.3 -16,-0.0 -0.304 89.9 8.8 -50.5 128.3 36.7 16.4 -6.7 66 65 H G T 34 S+ 0 0 70 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.381 116.4 81.3 78.3 -4.6 36.0 15.8 -10.4 67 66 H Q T <4 S+ 0 0 117 -3,-2.5 2,-0.3 1,-0.3 17,-0.2 0.630 101.3 14.1-100.7 -24.5 33.4 13.1 -9.5 68 67 H V S < S- 0 0 8 -4,-1.1 2,-0.5 15,-0.1 -2,-0.4 -0.959 70.9-129.0-147.1 157.3 30.4 15.3 -8.7 69 68 H T E -C 82 0A 73 13,-2.5 13,-2.2 -2,-0.3 2,-0.5 -0.972 15.0-160.2-115.1 127.9 29.5 19.0 -9.3 70 69 H I E +C 81 0A 6 -2,-0.5 2,-0.3 11,-0.2 11,-0.2 -0.897 24.5 160.9-103.6 130.7 28.3 21.2 -6.4 71 70 H S E -C 80 0A 28 9,-2.0 9,-2.8 -2,-0.5 2,-0.3 -0.844 21.9-149.3-141.8 176.6 26.5 24.4 -7.5 72 71 H A E -C 79 0A 20 -2,-0.3 2,-0.4 7,-0.3 7,-0.2 -0.993 13.4-157.6-150.6 148.2 24.1 27.0 -6.2 73 72 H D E > > -C 78 0A 58 5,-2.8 5,-1.8 -2,-0.3 3,-1.7 -0.896 11.8-171.8-124.0 100.5 21.4 29.4 -7.3 74 73 H K G > 5S+ 0 0 116 -2,-0.4 3,-1.3 -21,-0.3 -1,-0.1 0.791 82.1 66.6 -68.0 -24.6 21.3 32.2 -4.8 75 74 H S G 3 5S+ 0 0 88 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.750 111.8 36.5 -64.0 -21.8 18.1 33.6 -6.4 76 75 H F G < 5S- 0 0 129 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.245 108.0-123.8-108.3 5.7 16.4 30.4 -5.2 77 76 H N T < 5 + 0 0 63 -3,-1.3 -53,-2.6 -4,-0.2 2,-0.4 0.835 69.6 135.7 50.9 41.8 18.4 30.1 -1.9 78 77 H T E < -BC 23 73A 10 -5,-1.8 -5,-2.8 -55,-0.2 2,-0.3 -0.910 44.9-163.2-131.8 135.6 19.4 26.6 -3.2 79 78 H A E -BC 22 72A 0 -57,-2.5 -57,-2.3 -2,-0.4 2,-0.3 -0.836 18.4-159.9-109.0 156.5 22.5 24.5 -3.4 80 79 H F E -BC 21 71A 30 -9,-2.8 -9,-2.0 -2,-0.3 2,-0.4 -0.938 17.3-153.0-137.7 156.7 22.7 21.4 -5.7 81 80 H L E -BC 20 70A 0 -61,-2.0 -61,-2.7 -2,-0.3 2,-0.4 -0.997 25.8-173.0-130.8 131.5 24.7 18.2 -6.2 82 81 H Q E -BC 19 69A 67 -13,-2.2 -13,-2.5 -2,-0.4 2,-0.4 -0.982 18.3-170.4-135.5 140.5 25.0 16.8 -9.7 83 82 H W E -B 18 0A 17 -65,-2.6 -65,-2.3 -2,-0.4 3,-0.2 -0.979 10.4-161.5-123.6 137.6 26.3 13.8 -11.5 84 82AH S S S+ 0 0 111 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.771 88.8 19.3 -84.0 -27.7 26.6 13.5 -15.3 85 82BH S S S- 0 0 67 -68,-0.1 -1,-0.2 -67,-0.1 -68,-0.2 -0.778 81.4-147.9-147.5 96.7 26.8 9.7 -15.3 86 82CH L - 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