==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 19-JUL-12 4G6K . COMPND 2 MOLECULE: HEAVY CHAIN OF GEVOKIZUMAB ANTIBODY BINDING FRAGM . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.BLECH,S.HOERER . 432 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 62.7 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 . 170 39.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 3 0.7 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-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 . 39 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 7.9 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 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 RESIDUES PER ALPHA HELIX . 0 1 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 PARALLEL BRIDGES PER LADDER . 3 6 5 1 4 9 0 1 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 . 1 0 5 1 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 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 Q 0 0 219 0, 0.0 2,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 -50.8 38.5 10.5 -46.7 2 2 H V - 0 0 27 24,-0.2 2,-0.4 22,-0.0 24,-0.2 -0.453 360.0-172.1 -71.0 134.1 42.0 11.7 -45.7 3 3 H Q E -A 25 0A 140 22,-1.9 22,-2.0 -2,-0.2 2,-0.4 -0.994 7.4-176.2-130.8 136.8 42.9 11.3 -42.0 4 4 H L E -A 24 0A 14 -2,-0.4 108,-0.5 106,-0.3 2,-0.4 -0.990 2.9-174.1-130.6 139.9 46.0 12.6 -40.2 5 5 H Q E -A 23 0A 99 18,-2.2 18,-2.9 -2,-0.4 2,-0.3 -0.973 11.3-150.9-141.8 123.1 46.9 12.0 -36.5 6 6 H E E -A 22 0A 4 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.650 14.8-173.0 -88.7 145.5 49.8 13.5 -34.5 7 7 H S E +A 21 0A 58 14,-2.2 14,-2.5 -2,-0.3 107,-0.1 -0.986 12.5 151.7-139.9 145.0 51.4 11.6 -31.6 8 8 H G - 0 0 34 -2,-0.3 12,-0.1 12,-0.2 107,-0.1 -0.944 56.2 -90.7-158.9 176.1 54.0 12.6 -29.0 9 9 H P - 0 0 79 0, 0.0 2,-1.1 0, 0.0 107,-0.1 0.643 46.0-143.9 -74.5 -14.6 55.2 12.0 -25.4 10 10 H G S S+ 0 0 18 105,-0.1 107,-2.2 104,-0.0 2,-0.4 -0.192 80.2 46.8 83.1 -44.9 52.9 14.7 -24.0 11 11 H L E +d 117 0B 40 -2,-1.1 2,-0.3 105,-0.2 107,-0.2 -0.998 64.5 173.5-134.7 125.6 55.5 15.8 -21.3 12 12 H V E -d 118 0B 6 105,-2.3 107,-2.0 -2,-0.4 6,-0.1 -0.981 29.3-122.3-130.8 141.7 59.2 16.4 -22.1 13 13 H K > - 0 0 93 -2,-0.3 3,-1.6 105,-0.2 74,-0.2 -0.553 42.7 -87.6 -82.0 149.5 61.9 17.8 -19.7 14 14 H P T 3 S+ 0 0 50 0, 0.0 74,-0.2 0, 0.0 -1,-0.1 -0.273 113.3 21.9 -57.3 144.7 63.8 21.0 -20.6 15 15 H S T 3 S+ 0 0 94 72,-3.4 71,-0.7 1,-0.3 73,-0.1 0.079 101.1 113.3 82.2 -14.9 67.1 20.4 -22.7 16 16 H Q S < S- 0 0 99 -3,-1.6 71,-2.4 71,-0.2 2,-0.5 -0.176 74.2 -97.6 -78.0 173.1 65.8 17.0 -23.9 17 17 H T - 0 0 79 68,-0.2 2,-0.5 69,-0.2 68,-0.2 -0.836 29.0-146.1 -97.5 128.9 64.8 15.9 -27.5 18 18 H L E - B 0 84A 0 66,-3.2 66,-2.9 -2,-0.5 2,-0.5 -0.837 12.0-163.2 -94.2 127.4 61.1 16.0 -28.5 19 19 H S E - B 0 83A 50 -2,-0.5 2,-0.3 64,-0.2 64,-0.2 -0.964 9.7-179.1-115.6 125.8 60.0 13.3 -31.0 20 20 H L E - B 0 82A 0 62,-2.6 62,-2.4 -2,-0.5 2,-0.4 -0.952 8.8-159.5-124.5 145.5 56.6 13.7 -32.9 21 21 H T E -AB 7 81A 31 -14,-2.5 -14,-2.2 -2,-0.3 2,-0.5 -0.981 7.0-158.0-128.7 139.9 54.9 11.4 -35.4 22 22 H a E -AB 6 80A 0 58,-2.9 58,-1.8 -2,-0.4 2,-0.5 -0.979 14.3-168.7-114.5 112.5 52.3 12.2 -38.1 23 23 H S E +AB 5 79A 45 -18,-2.9 -18,-2.2 -2,-0.5 2,-0.3 -0.913 13.7 179.0-106.3 128.9 50.3 9.0 -39.1 24 24 H F E -A 4 0A 13 54,-2.3 2,-0.3 -2,-0.5 -20,-0.2 -0.877 19.1-175.4-133.0 163.5 48.1 9.3 -42.2 25 25 H S E +A 3 0A 53 -22,-2.0 -22,-1.9 -2,-0.3 3,-0.1 -0.938 62.6 53.6-147.0 161.3 45.7 7.4 -44.5 26 26 H G S S+ 0 0 62 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 0.262 106.7 46.3 93.9 -10.7 43.7 8.3 -47.7 27 27 H F S S- 0 0 22 -24,-0.1 2,-0.4 -26,-0.1 -1,-0.1 -0.960 74.8-125.3-152.5 163.1 46.8 9.5 -49.6 28 28 H S > - 0 0 35 -2,-0.3 3,-1.0 -3,-0.1 6,-0.1 -0.945 6.2-148.3-116.1 137.7 50.4 8.4 -50.3 29 29 H L T 3 S+ 0 0 0 -2,-0.4 4,-0.1 46,-0.3 46,-0.1 0.442 99.7 67.4 -81.0 2.6 53.5 10.5 -49.7 30 30 H S T 3 S+ 0 0 77 45,-0.2 -1,-0.2 2,-0.1 2,-0.2 0.555 75.2 109.8 -93.2 -11.2 55.1 8.7 -52.7 31 31 H T S X S- 0 0 48 -3,-1.0 3,-2.1 1,-0.1 24,-0.2 -0.494 85.8-100.1 -67.1 128.5 52.5 10.5 -55.0 32 32 H S T 3 S+ 0 0 73 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.264 108.2 19.0 -52.7 127.7 54.3 13.1 -57.2 33 33 H G T 3 S+ 0 0 3 1,-0.3 69,-3.0 68,-0.1 -1,-0.3 0.129 92.6 136.5 96.1 -17.1 53.8 16.6 -55.8 34 34 H M E < +E 101 0C 7 -3,-2.1 21,-2.0 67,-0.3 -1,-0.3 -0.325 24.7 169.8 -68.6 144.5 52.8 15.4 -52.3 35 35 H G E -EF 100 54C 0 65,-2.3 65,-2.1 19,-0.2 2,-0.4 -0.971 22.2-151.2-149.6 158.3 54.1 17.0 -49.1 36 36 H V E -EF 99 53C 0 17,-2.2 17,-2.0 -2,-0.3 2,-0.3 -0.999 17.2-168.8-135.0 131.5 53.6 17.0 -45.3 37 37 H G E -EF 98 52C 0 61,-3.1 61,-2.2 -2,-0.4 2,-0.4 -0.819 16.2-136.2-120.0 160.6 54.3 20.0 -43.0 38 38 H W E +EF 97 51C 0 13,-2.7 12,-2.7 -2,-0.3 13,-1.2 -0.953 23.3 177.0-116.1 133.6 54.5 20.6 -39.3 39 39 H I E -EF 96 49C 0 57,-2.8 57,-3.6 -2,-0.4 2,-0.3 -0.976 9.9-157.8-133.5 143.1 52.9 23.7 -37.7 40 40 H R E -EF 95 48C 18 8,-2.5 8,-2.2 -2,-0.3 55,-0.2 -0.892 8.1-163.7-125.6 159.4 52.7 24.6 -34.0 41 41 H Q E -E 94 0C 31 53,-2.2 53,-2.1 -2,-0.3 6,-0.1 -0.859 11.1-150.8-142.4 104.0 50.5 26.8 -31.8 42 42 H P > - 0 0 28 0, 0.0 3,-2.5 0, 0.0 51,-0.2 -0.418 51.3 -71.4 -69.5 151.9 51.5 28.0 -28.2 43 43 H S T 3 S- 0 0 130 1,-0.3 3,-0.1 49,-0.2 49,-0.0 -0.171 119.1 -1.5 -48.3 125.1 48.5 28.6 -25.8 44 44 H G T 3 S+ 0 0 88 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.413 115.9 104.8 70.8 1.7 46.5 31.7 -26.8 45 45 H K < - 0 0 147 -3,-2.5 -1,-0.2 1,-0.2 2,-0.1 -0.364 69.5 -99.2-103.4-178.6 49.0 32.4 -29.7 46 46 H G - 0 0 23 1,-0.1 2,-0.3 -2,-0.1 -1,-0.2 -0.156 47.4 -70.5 -90.6-172.1 48.8 32.0 -33.5 47 47 H L - 0 0 14 273,-0.4 2,-0.4 -6,-0.1 272,-0.3 -0.637 41.1-168.1 -85.6 138.2 50.1 29.4 -36.0 48 48 H E E -F 40 0C 55 -8,-2.2 -8,-2.5 -2,-0.3 2,-0.3 -0.997 18.8-132.8-128.1 124.8 53.8 29.1 -36.7 49 49 H W E +F 39 0C 2 -2,-0.4 -10,-0.2 268,-0.4 3,-0.1 -0.614 29.8 170.4 -77.2 134.8 55.2 27.0 -39.6 50 50 H L E - 0 0 0 -12,-2.7 12,-2.6 1,-0.4 2,-0.3 0.826 50.4 -16.5-108.2 -61.2 58.0 24.7 -38.5 51 51 H A E -FG 38 61C 0 -13,-1.2 -13,-2.7 10,-0.2 -1,-0.4 -0.945 46.6-162.3-149.4 166.6 59.1 22.2 -41.2 52 52 H H E -FG 37 60C 0 8,-2.0 8,-2.4 -2,-0.3 2,-0.3 -0.986 1.4-164.6-153.5 148.8 58.1 20.5 -44.5 53 53 H I E -FG 36 59C 5 -17,-2.0 -17,-2.2 -2,-0.3 6,-0.2 -0.996 11.9-148.3-139.2 133.6 59.1 17.4 -46.5 54 54 H W E > -F 35 0C 27 4,-1.9 3,-2.0 -2,-0.3 -19,-0.2 -0.526 34.5-102.3 -93.9 167.0 58.2 16.6 -50.1 55 55 H W T 3 S+ 0 0 87 -21,-2.0 -20,-0.1 1,-0.3 20,-0.1 0.735 124.1 56.0 -56.0 -30.1 57.7 13.1 -51.8 56 56 H D T 3 S- 0 0 82 -22,-0.2 -1,-0.3 2,-0.1 -26,-0.1 0.339 123.5-106.0 -88.3 5.0 61.2 13.4 -53.2 57 57 H G < + 0 0 24 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.352 65.7 154.4 87.7 -2.9 62.7 13.9 -49.7 58 58 H D - 0 0 100 -5,-0.1 -4,-1.9 1,-0.1 2,-0.3 -0.430 30.8-149.8 -64.4 122.9 63.4 17.6 -50.0 59 59 H E E -G 53 0C 106 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.770 13.6-170.3 -98.9 143.0 63.3 19.2 -46.5 60 60 H S E -G 52 0C 16 -8,-2.4 -8,-2.0 -2,-0.3 2,-0.3 -0.987 7.8-172.4-131.5 137.7 62.3 22.8 -45.6 61 61 H Y E -G 51 0C 73 -2,-0.3 -10,-0.2 -10,-0.2 -11,-0.1 -0.980 28.8-118.2-134.5 148.6 62.8 24.5 -42.2 62 62 H N > - 0 0 15 -12,-2.6 3,-1.7 -2,-0.3 7,-0.1 -0.702 22.8-143.7 -79.0 124.2 61.8 27.7 -40.4 63 63 H P G > S+ 0 0 77 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.643 94.0 76.2 -65.7 -11.7 65.1 29.5 -39.5 64 64 H S G 3 S+ 0 0 77 1,-0.3 -14,-0.0 -14,-0.1 -2,-0.0 0.683 98.4 45.9 -68.6 -18.7 63.4 30.8 -36.2 65 65 H L G X> S- 0 0 5 -3,-1.7 3,-1.9 -15,-0.2 4,-0.7 -0.245 94.9-175.7-112.7 35.6 64.0 27.1 -34.9 66 66 H K T <4 - 0 0 160 -3,-1.3 -2,-0.0 1,-0.3 -4,-0.0 -0.099 62.4 -9.7 -46.4 124.0 67.6 27.2 -36.3 67 67 H S T 34 S+ 0 0 112 2,-0.1 -1,-0.3 1,-0.1 18,-0.0 0.471 116.0 89.6 63.7 11.5 69.6 23.9 -35.9 68 68 H R T <4 + 0 0 58 -3,-1.9 17,-2.2 16,-0.1 2,-0.3 0.605 69.2 79.6-108.6 -14.7 66.9 22.3 -33.7 69 69 H L E < +C 84 0A 15 -4,-0.7 2,-0.3 15,-0.2 15,-0.2 -0.791 43.1 175.7-103.9 142.5 64.6 20.6 -36.3 70 70 H T E -C 83 0A 77 13,-1.5 13,-2.2 -2,-0.3 2,-0.4 -0.940 10.9-168.0-139.8 110.0 64.9 17.4 -38.2 71 71 H I E +C 82 0A 2 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.831 15.2 168.6 -98.9 137.5 61.9 16.3 -40.4 72 72 H S E -C 81 0A 49 9,-2.2 9,-2.5 -2,-0.4 2,-0.3 -0.937 16.9-150.1-143.0 164.4 61.9 12.8 -41.8 73 73 H K E -C 80 0A 72 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.969 15.4-167.0-138.8 154.9 59.5 10.4 -43.6 74 74 H D E > > -C 79 0A 75 5,-2.8 5,-2.0 -2,-0.3 3,-1.0 -0.827 12.7-177.8-138.0 90.1 58.7 6.7 -43.9 75 75 H T G > 5S+ 0 0 38 -2,-0.3 3,-0.6 1,-0.2 -46,-0.3 0.783 80.3 60.2 -62.2 -32.6 56.3 6.4 -46.9 76 76 H S G 3 5S+ 0 0 110 1,-0.2 -1,-0.2 2,-0.1 -46,-0.0 0.691 113.6 38.3 -69.2 -20.7 55.9 2.6 -46.6 77 77 H K G < 5S- 0 0 132 -3,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.346 109.6-122.7-108.6 0.8 54.5 3.3 -43.0 78 78 H N T < 5 + 0 0 59 -3,-0.6 -54,-2.3 -4,-0.3 2,-0.3 0.934 68.4 133.4 53.7 49.9 52.5 6.5 -44.0 79 79 H Q E < -BC 23 74A 66 -5,-2.0 -5,-2.8 -56,-0.2 2,-0.4 -0.982 41.7-170.4-134.7 145.6 54.4 8.4 -41.4 80 80 H V E -BC 22 73A 0 -58,-1.8 -58,-2.9 -2,-0.3 2,-0.3 -0.994 18.0-158.5-132.1 130.9 56.3 11.7 -41.1 81 81 H S E -BC 21 72A 23 -9,-2.5 -9,-2.2 -2,-0.4 2,-0.4 -0.858 9.8-159.8-117.7 151.8 58.4 12.6 -38.0 82 82 H L E -BC 20 71A 0 -62,-2.4 -62,-2.6 -2,-0.3 2,-0.5 -0.998 5.3-165.5-129.3 127.1 59.7 15.8 -36.4 83 83 H K E -BC 19 70A 100 -13,-2.2 -13,-1.5 -2,-0.4 2,-0.5 -0.963 2.5-170.5-114.3 125.3 62.6 15.9 -33.9 84 84 H I E -BC 18 69A 0 -66,-2.9 -66,-3.2 -2,-0.5 3,-0.3 -0.967 11.6-155.1-118.7 113.2 63.1 19.0 -31.8 85 85 H T + 0 0 48 -17,-2.2 -68,-0.2 -2,-0.5 -69,-0.1 -0.474 67.0 13.8 -86.6 159.4 66.4 19.2 -29.8 86 86 H S S S- 0 0 71 -71,-0.7 -1,-0.2 -2,-0.1 -70,-0.2 0.876 83.3-161.9 45.2 55.3 67.2 21.2 -26.6 87 87 H V - 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