==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 10-JUL-09 3I9G . COMPND 2 MOLECULE: SONEPCIZUMAB ANTIBODY FAB FRAGMENT, HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR T.HUXFORD . 435 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19753.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 38.6 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 . 2 0.5 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 . 1 0.2 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 . 40 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 . 1 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 . 5 5 3 4 6 6 1 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 0 1 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 0 167 0, 0.0 2,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0-174.5 -24.1 14.5 35.7 2 2 H V + 0 0 18 24,-0.2 2,-0.4 22,-0.1 24,-0.2 -0.452 360.0 170.6 -68.2 125.1 -21.1 14.7 33.4 3 3 H Q E -A 25 0A 115 22,-2.2 22,-2.6 -2,-0.2 2,-0.5 -0.992 21.7-162.6-135.7 136.9 -21.8 13.5 29.9 4 4 H L E -A 24 0A 10 107,-0.5 2,-0.5 -2,-0.4 109,-0.4 -0.980 17.2-162.8-111.3 120.7 -19.6 13.8 26.8 5 5 H V E -A 23 0A 60 18,-2.9 18,-3.2 -2,-0.5 2,-0.2 -0.938 1.9-159.4-115.4 119.9 -21.7 13.4 23.6 6 6 H Q E -A 22 0A 9 -2,-0.5 16,-0.2 16,-0.2 89,-0.0 -0.580 21.9-105.8 -96.0 157.6 -20.1 12.5 20.3 7 7 H S - 0 0 30 14,-1.8 -1,-0.1 -2,-0.2 3,-0.1 -0.234 49.8 -80.8 -75.7 166.4 -21.4 13.0 16.8 8 8 H G - 0 0 51 1,-0.2 -1,-0.1 107,-0.1 13,-0.1 -0.061 56.4 -68.0 -75.4 170.2 -22.6 10.0 14.6 9 9 H A - 0 0 80 1,-0.1 2,-0.4 105,-0.1 108,-0.2 -0.143 50.2-149.3 -56.3 146.8 -20.8 7.4 12.6 10 10 H E E -d 117 0B 53 106,-2.9 108,-2.5 -3,-0.1 2,-0.4 -0.948 14.0-168.2-124.2 140.4 -19.0 8.7 9.4 11 11 H V E +d 118 0B 63 -2,-0.4 2,-0.3 106,-0.2 108,-0.2 -0.991 24.5 161.2-127.9 124.3 -18.4 7.0 6.1 12 12 H K E -d 119 0B 54 106,-2.8 108,-2.8 -2,-0.4 6,-0.0 -0.871 35.4-116.3-139.8 163.2 -15.9 8.8 3.8 13 13 H K > - 0 0 80 -2,-0.3 3,-2.0 106,-0.2 73,-0.2 -0.747 48.4 -86.8 -97.7 151.8 -13.7 8.3 0.8 14 14 H P T 3 S+ 0 0 56 0, 0.0 73,-0.2 0, 0.0 3,-0.1 -0.317 116.0 28.7 -56.1 139.3 -9.9 8.8 0.8 15 15 H G T 3 S+ 0 0 48 71,-3.2 72,-0.1 1,-0.3 2,-0.1 0.180 93.6 120.0 93.0 -15.1 -8.9 12.4 0.3 16 16 H E < - 0 0 82 -3,-2.0 70,-3.1 69,-0.1 -1,-0.3 -0.402 60.9-121.8 -80.2 160.6 -12.2 13.8 1.8 17 17 H S - 0 0 76 68,-0.2 2,-0.3 -3,-0.1 67,-0.2 -0.622 28.7-174.9-101.1 162.0 -12.2 16.1 4.8 18 18 H L E - B 0 83A 10 65,-2.5 65,-2.6 -2,-0.2 2,-0.4 -0.966 17.1-168.7-160.0 138.2 -14.0 15.5 8.1 19 19 H K E - B 0 82A 108 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.993 12.6-174.7-130.2 121.8 -14.8 17.2 11.3 20 20 H I E - B 0 81A 0 61,-2.7 61,-2.1 -2,-0.4 2,-0.3 -0.771 11.9-148.2-109.8 164.1 -16.3 15.2 14.2 21 21 H S E - B 0 80A 30 -2,-0.3 -14,-1.8 59,-0.2 2,-0.3 -0.880 17.5-159.8-138.2 162.6 -17.4 16.7 17.5 22 22 H a E -AB 6 79A 0 57,-2.3 57,-2.9 -2,-0.3 2,-0.5 -0.948 15.6-161.3-144.3 113.7 -17.8 16.1 21.3 23 23 H Q E -AB 5 78A 72 -18,-3.2 -18,-2.9 -2,-0.3 2,-0.3 -0.881 9.8-144.3-107.2 129.3 -20.2 18.1 23.3 24 24 H S E +A 4 0A 7 53,-2.7 2,-0.3 -2,-0.5 -20,-0.2 -0.700 18.4 178.4 -95.9 139.9 -19.9 18.4 27.1 25 25 H F E +A 3 0A 91 -22,-2.6 -22,-2.2 -2,-0.3 3,-0.1 -0.948 56.1 30.8-132.7 151.2 -22.8 18.6 29.6 26 26 H G S S+ 0 0 60 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 0.538 105.9 54.2 85.4 11.2 -23.1 18.7 33.4 27 27 H Y S S- 0 0 43 -24,-0.1 2,-0.7 -26,-0.1 -1,-0.2 -0.956 95.6 -78.2-159.7 173.2 -19.9 20.6 34.3 28 28 H I > - 0 0 105 -2,-0.3 3,-1.5 1,-0.2 4,-0.2 -0.744 36.4-154.0 -86.8 112.6 -17.9 23.8 33.5 29 29 H F G > S+ 0 0 9 -2,-0.7 3,-1.5 1,-0.3 25,-0.2 0.866 91.1 53.8 -53.5 -46.4 -16.2 23.2 30.1 30 30 H I G 3 S+ 0 0 51 1,-0.3 -1,-0.3 23,-0.1 24,-0.2 0.567 94.2 72.0 -72.6 -7.7 -13.4 25.7 30.7 31 31 H D G < S+ 0 0 68 -3,-1.5 -1,-0.3 23,-0.1 2,-0.2 0.523 104.3 34.8 -81.0 -4.7 -12.4 23.9 34.0 32 32 H H S < S- 0 0 50 -3,-1.5 22,-0.4 -4,-0.2 2,-0.3 -0.803 76.6-113.9-138.3 175.5 -11.0 20.9 32.1 33 33 H T E -E 99 0B 11 66,-2.4 66,-2.3 -2,-0.2 2,-0.4 -0.820 22.5-139.7-110.3 155.8 -9.1 19.7 29.0 34 34 H I E -EF 98 51B 1 17,-2.3 17,-1.9 -2,-0.3 2,-0.3 -0.980 19.4-167.5-118.2 133.3 -10.6 17.5 26.2 35 35 H H E -EF 97 50B 5 62,-2.6 62,-1.8 -2,-0.4 2,-0.5 -0.843 12.4-138.9-122.4 150.8 -8.4 14.8 24.7 36 36 H W E -EF 96 49B 0 13,-2.3 12,-3.1 -2,-0.3 13,-0.9 -0.965 16.2-168.6-116.4 130.9 -8.9 12.6 21.6 37 37 H M E -EF 95 47B 0 58,-3.2 58,-2.6 -2,-0.5 2,-0.4 -0.885 8.4-150.6-114.6 142.3 -8.1 8.9 21.5 38 38 H R E -EF 94 46B 29 8,-2.4 8,-1.9 -2,-0.3 2,-0.4 -0.916 10.1-175.6-107.0 140.1 -7.9 6.6 18.4 39 39 H Q E -E 93 0B 23 54,-2.5 54,-2.6 -2,-0.4 6,-0.2 -0.865 14.8-153.4-134.2 100.5 -8.7 2.9 18.5 40 40 H M > - 0 0 42 4,-0.5 3,-2.8 -2,-0.4 52,-0.2 -0.333 46.0 -70.2 -67.1 151.8 -8.1 1.1 15.2 41 41 H P T 3 S- 0 0 89 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.247 120.0 -2.6 -51.9 124.6 -10.1 -2.0 14.6 42 42 H G T 3 S+ 0 0 90 1,-0.2 2,-0.1 -3,-0.1 -2,-0.1 0.476 116.5 105.3 73.8 4.7 -9.0 -4.8 16.9 43 43 H Q < - 0 0 109 -3,-2.8 -1,-0.2 1,-0.2 280,-0.0 -0.439 68.5-101.3-110.6-178.1 -6.2 -2.6 18.4 44 44 H G - 0 0 21 -2,-0.1 -4,-0.5 1,-0.1 2,-0.3 0.053 49.3 -68.2 -88.1-160.0 -5.5 -0.7 21.6 45 45 H L - 0 0 12 277,-0.4 276,-0.4 -6,-0.2 2,-0.4 -0.720 36.9-169.7-104.1 141.5 -5.8 3.0 22.5 46 46 H E E -F 38 0B 36 -8,-1.9 -8,-2.4 -2,-0.3 2,-0.5 -0.999 21.2-133.0-129.7 129.8 -3.6 5.9 21.2 47 47 H W E +F 37 0B 4 272,-0.6 -10,-0.2 -2,-0.4 3,-0.1 -0.697 24.0 179.7 -81.2 122.3 -3.6 9.5 22.6 48 48 H M E - 0 0 1 -12,-3.1 13,-2.6 -2,-0.5 2,-0.3 0.833 50.5 -64.7 -92.5 -38.0 -3.8 11.9 19.7 49 49 H G E -FG 36 60B 0 -13,-0.9 -13,-2.3 11,-0.3 -1,-0.4 -0.956 42.6-126.8 165.7 179.0 -3.8 15.3 21.4 50 50 H A E -FG 35 59B 9 9,-2.6 9,-2.5 -2,-0.3 2,-0.3 -0.955 7.0-149.4-152.3 162.7 -5.7 17.7 23.7 51 51 H I E -FG 34 58B 1 -17,-1.9 -17,-2.3 -2,-0.3 7,-0.2 -0.996 10.7-148.5-138.3 140.4 -7.2 21.2 24.0 52 52 H S E >> - G 0 57B 9 5,-2.5 4,-1.5 -2,-0.3 5,-1.2 -0.950 10.9-166.4 -99.5 106.3 -7.8 23.6 26.8 53 52AH P T 45S+ 0 0 3 0, 0.0 21,-0.1 0, 0.0 -23,-0.1 0.850 87.2 58.5 -59.2 -33.9 -10.8 25.6 25.8 54 53 H R T 45S+ 0 0 112 -22,-0.4 -24,-0.1 -24,-0.2 -23,-0.1 0.910 121.1 24.2 -58.6 -46.4 -10.1 28.1 28.6 55 54 H H T 45S- 0 0 109 2,-0.1 -1,-0.2 -3,-0.1 3,-0.1 0.443 98.2-127.4-101.8 -3.7 -6.6 29.0 27.2 56 55 H D T <5 + 0 0 125 -4,-1.5 2,-0.4 1,-0.2 -2,-0.1 0.887 61.1 143.9 50.3 46.4 -7.0 28.0 23.5 57 56 H I E < -G 52 0B 89 -5,-1.2 -5,-2.5 2,-0.0 2,-0.3 -0.953 31.3-166.6-116.3 133.6 -4.0 25.8 23.8 58 57 H T E -G 51 0B 49 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.885 5.5-165.0-117.9 148.3 -3.6 22.5 22.0 59 58 H K E -G 50 0B 90 -9,-2.5 -9,-2.6 -2,-0.3 2,-0.4 -0.987 11.5-164.3-128.7 140.1 -1.1 19.7 22.4 60 59 H Y E -G 49 0B 45 -2,-0.4 2,-0.4 -11,-0.3 -11,-0.3 -0.957 26.6-114.9-125.5 147.1 -0.5 16.9 19.9 61 60 H N >> - 0 0 9 -13,-2.6 3,-2.3 -2,-0.4 4,-1.4 -0.648 36.0-123.6 -67.2 131.0 1.2 13.5 19.8 62 61 H E T 34 S+ 0 0 156 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.826 110.8 60.3 -48.7 -36.8 4.1 13.9 17.4 63 62 H M T 34 S+ 0 0 104 1,-0.2 -1,-0.3 3,-0.0 -15,-0.1 0.734 113.7 35.8 -69.6 -17.0 2.7 11.0 15.3 64 63 H F T X> S+ 0 0 10 -3,-2.3 3,-2.1 -16,-0.2 4,-1.2 0.545 85.6 116.3-108.9 -12.1 -0.5 12.9 14.7 65 64 H R B 3< S+j 68 0C 136 -4,-1.4 4,-0.1 1,-0.3 -16,-0.0 -0.379 84.9 18.4 -62.0 132.5 0.8 16.5 14.4 66 65 H G T 34 S+ 0 0 76 2,-0.6 -1,-0.3 -2,-0.1 3,-0.1 0.283 115.9 73.0 88.6 -10.7 0.1 17.8 10.9 67 66 H Q T <4 S+ 0 0 99 -3,-2.1 17,-0.5 1,-0.2 18,-0.3 0.704 103.2 21.6-101.7 -31.2 -2.6 15.1 10.2 68 67 H V B < -j 65 0C 7 -4,-1.2 -2,-0.6 15,-0.1 2,-0.4 -0.920 60.7-144.4-137.2 160.0 -5.3 16.5 12.4 69 68 H T E -C 82 0A 71 13,-2.1 13,-2.2 -2,-0.3 2,-0.4 -0.998 9.9-158.3-128.0 132.7 -6.6 19.7 14.1 70 69 H I E +C 81 0A 4 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.883 23.7 159.8-106.7 137.6 -8.2 19.9 17.5 71 70 H S E -C 80 0A 32 9,-1.6 9,-2.9 -2,-0.4 2,-0.3 -0.894 20.9-148.8-148.0 173.5 -10.4 22.9 18.2 72 71 H A E -C 79 0A 33 -2,-0.3 2,-0.5 7,-0.3 7,-0.2 -0.988 11.0-147.4-148.4 153.9 -13.2 24.0 20.6 73 72 H D E >> -C 78 0A 60 5,-3.1 5,-2.1 -2,-0.3 4,-0.6 -0.959 9.2-166.4-124.1 108.9 -16.2 26.3 20.8 74 73 H K T >45S+ 0 0 119 -2,-0.5 3,-0.5 1,-0.2 -45,-0.1 0.822 83.8 64.0 -61.0 -34.9 -16.7 27.6 24.3 75 74 H S T 345S+ 0 0 107 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.870 116.9 26.2 -62.7 -37.9 -20.2 28.9 23.5 76 75 H S T 345S- 0 0 35 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.330 105.2-121.1-104.2 5.6 -21.6 25.4 22.9 77 76 H S T <<5 + 0 0 34 -4,-0.6 -53,-2.7 -3,-0.5 2,-0.4 0.900 64.3 146.8 51.3 47.9 -19.1 23.5 25.1 78 77 H T E < -BC 23 73A 8 -5,-2.1 -5,-3.1 -55,-0.2 2,-0.3 -0.933 36.9-162.1-120.2 134.7 -18.0 21.5 22.0 79 78 H A E -BC 22 72A 0 -57,-2.9 -57,-2.3 -2,-0.4 2,-0.3 -0.854 15.2-158.2-106.3 153.2 -14.6 20.1 21.1 80 79 H Y E -BC 21 71A 49 -9,-2.9 -9,-1.6 -2,-0.3 2,-0.4 -0.928 15.1-161.0-134.0 151.2 -13.7 19.0 17.5 81 80 H L E -BC 20 70A 0 -61,-2.1 -61,-2.7 -2,-0.3 2,-0.4 -0.999 24.0-176.8-129.5 129.4 -11.3 16.8 15.7 82 81 H Q E -BC 19 69A 63 -13,-2.2 -13,-2.1 -2,-0.4 2,-0.4 -0.973 21.7-166.0-138.1 146.6 -10.7 17.3 12.0 83 82 H W E -B 18 0A 8 -65,-2.6 -65,-2.5 -2,-0.4 3,-0.2 -0.950 9.0-161.3-118.1 143.3 -8.8 16.0 9.0 84 82AH S S S+ 0 0 103 -17,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.751 89.5 21.6 -94.3 -23.4 -8.4 17.9 5.8 85 82BH S S S- 0 0 70 -18,-0.3 -1,-0.3 -67,-0.1 -68,-0.2 -0.751 80.7-151.1-147.7 95.9 -7.5 14.8 3.8 86 82CH L - 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