==== 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 18-JUL-12 4G5Z . COMPND 2 MOLECULE: CANAKINUMAB ANTIBODY FRAGMENT HEAVY CHAIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.BLECH,S.HOERER . 430 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19664.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 175 40.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 1 0.2 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 . 36 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.6 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 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 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 3 5 6 2 4 9 1 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 . 1 0 5 0 2 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 0 192 0, 0.0 2,-0.3 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 138.5 -3.0 -31.5 5.3 2 2 H V + 0 0 37 24,-0.1 2,-0.3 22,-0.1 24,-0.2 -0.493 360.0 172.0 -66.3 124.0 -4.0 -28.7 7.8 3 3 H Q E -A 25 0A 88 22,-2.5 22,-2.3 -2,-0.3 2,-0.4 -1.000 21.4-172.4-141.6 138.9 -5.6 -25.8 6.0 4 4 H L E -A 24 0A 1 -2,-0.3 106,-0.6 104,-0.3 2,-0.4 -0.998 8.4-174.0-128.7 127.7 -7.4 -22.6 7.1 5 5 H V E -A 23 0A 66 18,-1.9 18,-2.9 -2,-0.4 2,-0.2 -0.947 8.9-155.6-131.7 111.6 -9.1 -20.3 4.5 6 6 H E E +A 22 0A 6 -2,-0.4 2,-0.3 16,-0.3 16,-0.2 -0.556 18.8 166.6 -84.3 149.4 -10.6 -16.9 5.5 7 7 H S E +A 21 0A 57 14,-2.2 14,-2.3 -2,-0.2 105,-0.1 -0.927 41.3 71.0-152.1 169.1 -13.4 -15.2 3.6 8 8 H G + 0 0 40 1,-0.3 11,-0.1 -2,-0.3 2,-0.1 0.255 62.1 138.3 102.6 -10.1 -15.9 -12.3 4.0 9 9 H G + 0 0 29 12,-0.1 -1,-0.3 85,-0.1 2,-0.3 -0.370 22.0 109.7 -69.4 145.9 -13.4 -9.5 3.7 10 10 H G - 0 0 29 102,-0.1 105,-2.4 -2,-0.1 2,-0.4 -0.973 66.5 -37.1 175.6-167.2 -14.3 -6.4 1.7 11 11 H V E +d 115 0B 70 -2,-0.3 2,-0.3 103,-0.2 105,-0.2 -0.688 54.3 174.0 -84.7 129.4 -15.1 -2.7 1.8 12 12 H V E -d 116 0B 18 103,-2.9 105,-2.1 -2,-0.4 3,-0.1 -0.996 29.4-119.6-136.7 139.4 -17.4 -1.5 4.7 13 13 H Q > - 0 0 121 -2,-0.3 3,-1.8 103,-0.2 73,-0.2 -0.430 45.9 -86.8 -74.5 150.0 -18.5 1.9 5.8 14 14 H P T 3 S+ 0 0 59 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.356 115.2 21.1 -60.8 134.8 -17.5 3.2 9.4 15 15 H G T 3 S+ 0 0 32 71,-3.0 70,-0.7 1,-0.3 72,-0.1 0.161 102.4 112.4 93.7 -15.2 -20.1 2.2 12.0 16 16 H R < - 0 0 144 -3,-1.8 70,-1.8 70,-0.2 -1,-0.3 -0.203 63.9-111.1 -83.2 176.3 -21.4 -0.7 9.9 17 17 H S + 0 0 62 67,-0.2 2,-0.3 68,-0.1 67,-0.2 -0.778 26.8 178.2-112.3 155.0 -21.1 -4.5 10.4 18 18 H L E - B 0 83A 32 65,-2.2 65,-3.0 -2,-0.3 2,-0.5 -0.963 16.2-147.2-155.0 135.8 -19.2 -7.4 8.7 19 19 H R E - B 0 82A 158 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.942 12.9-162.4-112.0 124.7 -19.0 -11.1 9.4 20 20 H L E - B 0 81A 0 61,-3.0 61,-1.9 -2,-0.5 2,-0.3 -0.743 4.8-162.3-100.6 152.8 -15.8 -13.0 8.6 21 21 H S E -AB 7 80A 28 -14,-2.3 -14,-2.2 -2,-0.3 2,-0.4 -0.921 9.0-156.4-131.0 157.9 -15.5 -16.8 8.3 22 22 H a E -AB 6 79A 0 57,-1.8 57,-1.9 -2,-0.3 2,-0.5 -0.951 10.8-150.6-138.1 113.3 -12.7 -19.3 8.4 23 23 H A E -AB 5 78A 51 -18,-2.9 -18,-1.9 -2,-0.4 2,-0.4 -0.767 15.7-160.0 -88.0 121.4 -13.0 -22.7 6.7 24 24 H A E +A 4 0A 10 53,-2.8 2,-0.3 -2,-0.5 -20,-0.2 -0.840 16.5 164.3-104.7 141.8 -10.9 -25.4 8.4 25 25 H S E +A 3 0A 63 -22,-2.3 -22,-2.5 -2,-0.4 3,-0.1 -0.977 47.3 44.7-150.4 159.4 -9.8 -28.7 6.8 26 26 H G S S+ 0 0 51 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.1 0.588 104.6 52.4 82.8 15.7 -7.4 -31.6 7.3 27 27 H F S S- 0 0 37 -26,-0.1 2,-0.9 -24,-0.1 -1,-0.1 -0.957 98.5 -82.4-166.9 161.8 -7.9 -32.0 11.1 28 28 H T > - 0 0 93 -2,-0.3 3,-1.4 1,-0.2 4,-0.4 -0.667 40.6-161.2 -76.7 105.7 -10.7 -32.5 13.7 29 29 H F G > S+ 0 0 1 -2,-0.9 3,-1.5 1,-0.2 -1,-0.2 0.869 83.5 61.5 -55.9 -43.9 -11.8 -28.8 14.1 30 30 H S G 3 S+ 0 0 47 1,-0.3 -1,-0.2 44,-0.2 44,-0.1 0.456 93.5 67.0 -65.3 -6.4 -13.6 -29.4 17.5 31 31 H V G < S+ 0 0 92 -3,-1.4 2,-0.4 2,-0.1 -1,-0.3 0.754 96.3 66.1 -83.4 -29.2 -10.2 -30.5 19.1 32 32 H Y S < S- 0 0 54 -3,-1.5 68,-0.1 -4,-0.4 2,-0.1 -0.793 73.4-130.1-110.1 144.5 -8.7 -27.0 18.8 33 33 H G E -E 99 0C 9 66,-0.5 66,-2.2 -2,-0.4 2,-0.3 -0.381 35.2-145.1 -70.3 154.0 -9.1 -23.6 20.2 34 34 H M E -EF 98 51C 0 17,-2.5 17,-2.2 64,-0.2 2,-0.3 -0.982 13.8-164.1-132.7 147.2 -9.2 -21.0 17.4 35 35 H N E -EF 97 50C 0 62,-2.8 62,-2.7 -2,-0.3 2,-0.4 -0.895 17.1-143.1-129.3 158.8 -8.0 -17.4 17.1 36 36 H W E +EF 96 49C 0 13,-2.3 12,-2.6 -2,-0.3 13,-1.5 -0.958 22.7 178.7-116.1 132.4 -8.3 -14.2 15.0 37 37 H V E -EF 95 47C 0 58,-2.4 58,-3.6 -2,-0.4 2,-0.3 -0.992 9.8-160.3-133.0 134.3 -5.1 -12.2 14.6 38 38 H R E -EF 94 46C 10 8,-3.0 8,-2.7 -2,-0.3 2,-0.4 -0.821 13.1-159.4-120.2 159.8 -5.0 -8.9 12.5 39 39 H Q E -EF 93 45C 31 54,-1.8 54,-2.5 -2,-0.3 6,-0.1 -0.920 11.3-157.4-140.8 107.4 -2.3 -6.8 10.7 40 40 H A > - 0 0 13 4,-0.5 3,-2.0 -2,-0.4 52,-0.2 -0.462 47.3 -72.4 -76.0 154.5 -3.1 -3.2 9.9 41 41 H P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.278 119.7 0.8 -55.0 133.0 -1.1 -1.5 7.0 42 42 H A T 3 S+ 0 0 120 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.627 115.1 107.4 60.0 23.3 2.6 -0.8 8.2 43 43 H K < - 0 0 134 -3,-2.0 -1,-0.2 1,-0.1 3,-0.1 -0.782 68.3-108.8-123.3 165.2 1.8 -2.4 11.6 44 44 H G - 0 0 23 -2,-0.3 -4,-0.5 1,-0.2 2,-0.1 -0.194 53.0 -64.2 -82.8 178.8 2.7 -5.6 13.4 45 45 H L E -F 39 0C 9 273,-0.2 2,-0.4 -6,-0.1 272,-0.2 -0.437 49.5-163.1 -66.9 135.6 0.6 -8.6 14.3 46 46 H E E -F 38 0C 71 -8,-2.7 -8,-3.0 -2,-0.1 2,-0.1 -0.978 17.0-131.2-127.1 119.0 -2.3 -7.9 16.7 47 47 H W E +F 37 0C 6 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.468 28.4 175.5 -66.9 133.6 -4.1 -10.6 18.6 48 48 H V E - 0 0 0 -12,-2.6 13,-2.5 1,-0.3 2,-0.3 0.808 50.4 -24.4-106.0 -56.3 -7.9 -10.1 18.3 49 49 H A E -FG 36 60C 0 -13,-1.5 -13,-2.3 11,-0.2 -1,-0.3 -0.989 42.4-147.0-161.8 159.5 -9.8 -13.0 19.9 50 50 H I E -FG 35 59C 0 9,-2.2 9,-1.9 -2,-0.3 2,-0.4 -0.968 6.6-167.3-131.4 145.3 -9.8 -16.7 21.1 51 51 H I E -FG 34 58C 2 -17,-2.2 -17,-2.5 -2,-0.3 7,-0.2 -0.998 23.5-128.0-131.1 126.9 -12.6 -19.2 21.2 52 52 H W > - 0 0 64 5,-2.1 3,-1.9 -2,-0.4 -20,-0.1 -0.221 41.5 -81.8 -72.0 163.7 -12.1 -22.5 23.2 53 53 H Y T 3 S+ 0 0 130 1,-0.3 -21,-0.2 -22,-0.2 -1,-0.1 0.725 126.8 28.9 -33.9 -49.1 -12.8 -26.0 21.6 54 54 H D T 3 S- 0 0 88 -23,-0.1 -1,-0.3 19,-0.0 20,-0.1 0.350 108.4-112.3-102.4 5.7 -16.6 -26.1 22.1 55 55 H G S < S+ 0 0 19 -3,-1.9 -2,-0.1 2,-0.2 17,-0.1 0.476 82.9 122.2 78.3 5.5 -17.3 -22.3 21.9 56 56 H D S S+ 0 0 123 1,-0.1 2,-0.3 -5,-0.0 -3,-0.1 0.665 73.2 40.4 -70.4 -22.3 -18.3 -22.2 25.6 57 57 H N + 0 0 102 -5,-0.1 -5,-2.1 2,-0.0 2,-0.3 -0.989 63.1 176.0-134.1 142.1 -15.6 -19.6 26.4 58 58 H Q E -G 51 0C 84 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.972 6.5-169.5-140.1 151.6 -14.3 -16.5 24.5 59 59 H Y E -G 50 0C 86 -9,-1.9 -9,-2.2 -2,-0.3 2,-0.3 -0.991 9.2-160.6-143.9 143.4 -11.7 -13.8 25.2 60 60 H Y E -G 49 0C 30 -2,-0.3 -11,-0.2 -11,-0.2 2,-0.1 -0.910 23.9-109.5-126.8 155.1 -11.0 -10.5 23.4 61 61 H A >> - 0 0 10 -13,-2.5 4,-1.9 -2,-0.3 3,-1.7 -0.457 40.3-112.2 -72.6 150.5 -8.2 -7.9 23.0 62 62 H D T 34 S+ 0 0 118 1,-0.3 -1,-0.1 2,-0.2 -14,-0.1 0.823 114.9 64.4 -53.0 -35.9 -9.2 -4.6 24.7 63 63 H S T 34 S+ 0 0 37 1,-0.2 -1,-0.3 3,-0.0 -15,-0.1 0.662 117.1 24.6 -62.6 -23.6 -9.3 -2.9 21.1 64 64 H V T X> S+ 0 0 0 -3,-1.7 3,-2.4 -16,-0.2 4,-2.1 0.555 86.6 123.9-118.4 -18.3 -12.2 -5.2 20.0 65 65 H K T 3< S+ 0 0 139 -4,-1.9 4,-0.1 1,-0.3 -16,-0.0 -0.262 83.3 16.4 -53.3 127.2 -14.0 -6.2 23.3 66 66 H G T 34 S+ 0 0 82 2,-0.4 -1,-0.3 1,-0.0 3,-0.1 0.199 127.0 56.9 92.2 -11.7 -17.7 -5.1 23.2 67 67 H R T <4 S+ 0 0 45 -3,-2.4 17,-1.5 1,-0.2 2,-0.3 0.670 98.9 53.7-115.8 -36.8 -17.7 -4.7 19.4 68 68 H F E < -C 83 0A 3 -4,-2.1 2,-0.5 15,-0.2 -2,-0.4 -0.852 61.5-158.8-108.1 144.9 -16.5 -8.0 18.0 69 69 H T E -C 82 0A 71 13,-2.5 13,-2.9 -2,-0.3 2,-0.4 -0.982 4.5-156.6-125.0 119.6 -18.0 -11.5 18.6 70 70 H I E +C 81 0A 4 -2,-0.5 2,-0.3 11,-0.2 11,-0.2 -0.770 26.5 157.6 -91.8 137.0 -16.0 -14.7 18.0 71 71 H S E -C 80 0A 47 9,-1.5 9,-3.0 -2,-0.4 2,-0.3 -0.930 20.8-155.8-149.4 170.0 -18.1 -17.9 17.4 72 72 H R E -C 79 0A 31 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.983 14.8-152.2-150.9 157.9 -17.8 -21.3 15.9 73 73 H D E > > -C 78 0A 56 5,-2.3 5,-1.7 -2,-0.3 3,-0.8 -0.903 12.7-166.7-134.0 96.9 -19.9 -24.1 14.3 74 74 H N G > 5S+ 0 0 37 -2,-0.4 3,-0.6 1,-0.2 -44,-0.2 0.787 87.3 53.5 -57.8 -32.8 -18.0 -27.4 14.8 75 75 H S G 3 5S+ 0 0 106 1,-0.2 -1,-0.2 2,-0.1 -46,-0.0 0.776 113.0 45.3 -72.9 -26.0 -20.2 -29.4 12.4 76 76 H K G < 5S- 0 0 126 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.427 103.6-132.9 -92.6 -5.3 -19.4 -26.8 9.7 77 77 H N T < 5 + 0 0 65 -3,-0.6 -53,-2.8 -4,-0.4 2,-0.4 0.865 62.8 137.5 51.7 38.6 -15.6 -26.7 10.6 78 78 H T E < -BC 23 73A 19 -5,-1.7 -5,-2.3 -55,-0.2 2,-0.4 -0.958 45.7-160.1-125.0 139.2 -16.0 -22.9 10.6 79 79 H L E -BC 22 72A 0 -57,-1.9 -57,-1.8 -2,-0.4 2,-0.3 -0.895 19.1-160.1-108.4 139.2 -14.8 -20.1 12.8 80 80 H Y E -BC 21 71A 47 -9,-3.0 -9,-1.5 -2,-0.4 2,-0.4 -0.873 17.9-164.4-121.8 158.1 -16.6 -16.7 12.7 81 81 H L E -BC 20 70A 0 -61,-1.9 -61,-3.0 -2,-0.3 2,-0.7 -0.927 10.4-162.6-138.2 106.7 -15.8 -13.1 13.6 82 82 H Q E -BC 19 69A 50 -13,-2.9 -13,-2.5 -2,-0.4 2,-0.5 -0.867 13.5-162.3 -92.4 112.5 -18.9 -10.8 13.7 83 83 H M E +BC 18 68A 0 -65,-3.0 -65,-2.2 -2,-0.7 2,-0.3 -0.895 11.6 177.5-104.1 125.5 -17.5 -7.2 13.6 84 84 H N + 0 0 59 -17,-1.5 -67,-0.2 -2,-0.5 -68,-0.1 -0.848 60.2 21.2-123.4 157.3 -19.8 -4.3 14.7 85 85 H G S S- 0 0 33 -70,-0.7 -1,-0.2 -2,-0.3 -69,-0.2 0.866 82.8-158.9 52.6 44.7 -19.2 -0.5 15.0 86 86 H L - 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