==== 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 23-JAN-09 2W9D . COMPND 2 MOLECULE: ICSM 18-ANTI-PRP THERAPEUTIC FAB HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.V.ANTONYUK,C.R.TREVITT,R.W.STRANGE,G.S.JACKSON,D.SANGAR, . 426 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20021.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 62.9 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 39.9 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 . 2 0.5 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-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 . 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 . 41 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 3.3 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+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 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 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 8 3 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 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 0 198 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -26.8 14.9 6.0 52.4 2 2 H V - 0 0 4 22,-0.0 2,-0.4 2,-0.0 25,-0.1 -0.958 360.0-169.9-119.4 138.7 11.1 5.3 52.4 3 3 H Q - 0 0 157 -2,-0.4 22,-2.3 102,-0.1 2,-0.5 -0.967 14.0-141.9-127.7 143.9 8.9 5.1 49.3 4 4 H L E -A 24 0A 10 102,-0.4 2,-0.6 -2,-0.4 104,-0.5 -0.936 11.1-159.8-107.3 124.5 5.1 4.9 49.2 5 5 H Q E -A 23 0A 124 18,-2.7 18,-2.0 -2,-0.5 2,-0.3 -0.920 9.3-163.7-107.5 115.1 3.5 2.6 46.6 6 6 H Q E -A 22 0A 4 -2,-0.6 16,-0.2 16,-0.2 89,-0.0 -0.655 27.6 -98.4 -91.8 154.7 -0.1 3.5 45.8 7 7 H S - 0 0 29 14,-1.9 -1,-0.1 -2,-0.3 3,-0.1 -0.162 51.6 -85.6 -65.4 166.7 -2.5 1.1 44.1 8 8 H G - 0 0 42 1,-0.2 -1,-0.1 102,-0.1 13,-0.1 -0.054 55.1 -69.2 -75.8 172.2 -3.1 1.5 40.3 9 9 H P - 0 0 50 0, 0.0 2,-0.4 0, 0.0 103,-0.2 -0.231 51.5-145.3 -62.1 152.8 -5.5 3.8 38.5 10 10 H E E -d 112 0B 64 101,-2.6 103,-2.9 -3,-0.1 2,-0.5 -0.959 16.7-160.7-127.4 136.6 -9.3 2.9 38.8 11 11 H L E +d 113 0B 51 -2,-0.4 2,-0.3 101,-0.2 103,-0.2 -0.991 27.2 178.9-112.2 120.0 -12.2 3.2 36.4 12 12 H V E -d 114 0B 11 101,-2.7 103,-2.4 -2,-0.5 6,-0.1 -0.939 27.0-120.4-125.6 139.9 -15.4 3.1 38.6 13 13 H K > - 0 0 130 -2,-0.3 3,-2.1 101,-0.2 73,-0.2 -0.523 44.3 -91.0 -76.6 145.7 -19.1 3.3 37.6 14 14 H P T 3 S+ 0 0 68 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.311 115.4 24.8 -50.6 134.5 -21.2 6.2 39.0 15 15 H G T 3 S+ 0 0 53 71,-2.9 70,-0.4 1,-0.3 72,-0.1 0.157 102.4 104.9 93.9 -18.1 -22.8 5.1 42.3 16 16 H S < - 0 0 52 -3,-2.1 70,-2.9 70,-0.2 -1,-0.3 -0.212 63.5-126.4 -85.7 179.6 -20.2 2.5 43.0 17 17 H S - 0 0 64 68,-0.2 2,-0.3 67,-0.2 67,-0.2 -0.845 15.7-162.5-121.9 162.8 -17.3 2.6 45.6 18 18 H V E - B 0 83A 12 65,-2.0 65,-3.1 -2,-0.3 2,-0.5 -0.993 8.3-150.4-145.2 144.7 -13.6 2.1 45.3 19 19 H K E - B 0 82A 111 -2,-0.3 2,-0.3 63,-0.2 63,-0.3 -0.978 15.8-169.4-119.2 120.9 -10.9 1.4 47.9 20 20 H I E - B 0 81A 0 61,-2.8 61,-2.5 -2,-0.5 2,-0.3 -0.793 8.5-146.3-110.7 152.9 -7.4 2.6 47.1 21 21 H S E - B 0 80A 31 -2,-0.3 -14,-1.9 59,-0.2 2,-0.3 -0.815 13.5-167.1-125.7 158.8 -4.3 1.7 49.1 22 22 H a E -AB 6 79A 0 57,-2.3 57,-3.0 -2,-0.3 2,-0.4 -0.936 11.1-176.0-145.5 114.0 -1.0 3.2 50.2 23 23 H K E -A 5 0A 101 -18,-2.0 -18,-2.7 -2,-0.3 2,-0.3 -0.969 15.1-144.2-121.2 131.4 1.9 1.2 51.6 24 24 H A E -A 4 0A 25 -2,-0.4 -20,-0.2 53,-0.3 3,-0.1 -0.676 23.9-117.2 -86.5 142.5 5.2 2.5 52.9 25 25 H S - 0 0 42 -22,-2.3 -1,-0.1 -2,-0.3 -23,-0.0 -0.192 61.3 -46.1 -72.2 172.2 8.4 0.6 52.4 26 26 H R S S+ 0 0 237 2,-0.1 2,-0.3 -24,-0.1 -1,-0.2 -0.042 77.0 143.9 -50.1 131.7 10.4 -0.8 55.3 27 27 H N - 0 0 50 -3,-0.1 -3,-0.0 2,-0.1 -1,-0.0 -0.972 51.2-137.8-159.3 165.6 10.9 1.7 58.2 28 28 H T + 0 0 132 -2,-0.3 -2,-0.1 0, 0.0 2,-0.0 -0.002 50.6 147.2-116.9 24.8 11.2 2.0 62.0 29 29 H F - 0 0 35 1,-0.1 3,-0.1 2,-0.0 -2,-0.1 -0.343 25.5-172.6 -61.7 139.7 9.1 5.2 62.3 30 30 H T S S+ 0 0 85 1,-0.1 2,-1.9 23,-0.0 24,-0.3 0.766 71.7 22.7 -95.8 -87.5 7.0 5.4 65.4 31 31 H D S S+ 0 0 73 22,-0.1 2,-0.2 21,-0.0 70,-0.2 -0.435 85.6 141.3 -90.2 69.8 4.6 8.4 65.5 32 32 H Y - 0 0 5 -2,-1.9 22,-0.4 -3,-0.1 2,-0.3 -0.678 35.7-147.5-101.5 160.8 4.2 9.1 61.8 33 33 H N E -E 99 0B 19 66,-2.1 66,-2.7 -2,-0.2 2,-0.5 -0.929 4.2-146.2-126.9 155.1 1.1 10.1 60.0 34 34 H L E -EF 98 51B 2 17,-2.9 17,-2.4 -2,-0.3 2,-0.3 -0.992 17.1-162.6-120.8 123.4 -0.3 9.5 56.5 35 35 H D E -EF 97 50B 0 62,-3.2 62,-2.4 -2,-0.5 2,-0.4 -0.820 8.6-144.5-103.9 145.6 -2.4 12.2 54.8 36 36 H W E -EF 96 49B 0 13,-2.6 12,-2.8 -2,-0.3 13,-1.1 -0.939 19.2-174.9-110.6 134.1 -4.7 11.8 51.9 37 37 H V E -EF 95 47B 1 58,-2.6 58,-3.2 -2,-0.4 2,-0.5 -0.985 14.8-147.6-133.4 133.3 -4.9 14.6 49.3 38 38 H K E -EF 94 46B 12 8,-2.8 8,-2.2 -2,-0.4 2,-0.5 -0.871 8.6-165.9 -99.9 129.7 -7.2 15.1 46.3 39 39 H Q E -EF 93 45B 6 54,-3.3 54,-2.3 -2,-0.5 3,-0.4 -0.967 9.3-161.5-116.3 117.0 -5.9 16.9 43.2 40 40 H S > - 0 0 14 4,-1.7 3,-2.7 -2,-0.5 4,-0.4 -0.742 68.6 -6.2 -95.2 140.3 -8.6 17.9 40.8 41 41 H H T 3 S- 0 0 158 -2,-0.3 -1,-0.2 1,-0.3 51,-0.1 0.737 119.7 -69.5 53.9 30.8 -7.9 18.9 37.1 42 42 H G T 3 S+ 0 0 66 -3,-0.4 -1,-0.3 1,-0.1 214,-0.1 0.666 126.7 65.4 61.8 19.4 -4.1 18.8 37.7 43 43 H K S < S+ 0 0 122 -3,-2.7 -2,-0.2 1,-0.3 -1,-0.1 0.490 73.5 56.7-132.8 -89.8 -4.4 21.9 39.9 44 44 H T - 0 0 64 -4,-0.4 -4,-1.7 -5,-0.1 2,-0.4 -0.276 60.4-146.5 -72.3 142.3 -6.2 22.5 43.2 45 45 H L E -F 39 0B 10 269,-0.4 268,-0.4 -6,-0.2 2,-0.4 -0.869 12.7-172.1-108.3 136.5 -5.3 20.4 46.2 46 46 H E E -F 38 0B 45 -8,-2.2 -8,-2.8 -2,-0.4 2,-0.6 -0.998 21.8-133.0-129.3 132.2 -7.7 19.4 49.0 47 47 H W E -F 37 0B 3 264,-0.5 -10,-0.2 -2,-0.4 3,-0.1 -0.743 22.1-178.1 -83.5 120.6 -6.8 17.6 52.3 48 48 H I E - 0 0 0 -12,-2.8 13,-1.8 -2,-0.6 2,-0.3 0.857 51.2 -74.0 -87.7 -42.5 -9.2 14.7 52.8 49 49 H G E -FG 36 60B 0 -13,-1.1 -13,-2.6 11,-0.2 -1,-0.3 -0.967 43.3-121.9 168.0-176.5 -8.0 13.4 56.1 50 50 H N E -FG 35 59B 6 9,-2.1 9,-2.0 -2,-0.3 2,-0.3 -0.973 7.3-149.0-151.6 169.3 -5.2 11.5 57.8 51 51 H V E -FG 34 58B 3 -17,-2.4 -17,-2.9 -2,-0.3 7,-0.2 -0.961 15.0-143.8-137.5 155.8 -4.2 8.5 59.9 52 52 H Y > - 0 0 79 5,-0.7 4,-0.9 -2,-0.3 3,-0.3 -0.900 18.1-168.5-118.9 90.8 -1.6 7.6 62.5 53 53 H P T 4 S+ 0 0 4 0, 0.0 2,-1.9 0, 0.0 -1,-0.1 0.844 83.5 63.5 -55.1 -36.6 -0.9 3.8 61.7 54 54 H N T 4 S- 0 0 67 -22,-0.4 20,-0.0 -24,-0.3 -21,-0.0 -0.263 136.2 -73.2 -84.9 52.3 1.1 3.3 64.9 55 55 H N T 4 S+ 0 0 130 -2,-1.9 2,-0.3 -3,-0.3 -1,-0.2 0.958 85.6 130.5 48.6 103.0 -2.1 4.0 66.7 56 56 H G < - 0 0 39 -4,-0.9 -4,-0.2 1,-0.1 -1,-0.2 -0.834 59.4 -86.7-151.5-178.5 -3.3 7.6 66.7 57 57 H V - 0 0 122 -2,-0.3 -5,-0.7 -6,-0.1 2,-0.5 -0.119 44.0-101.8 -88.5-176.0 -6.8 8.8 65.9 58 58 H T E -G 51 0B 61 -7,-0.2 2,-0.4 -9,-0.0 -7,-0.2 -0.956 23.6-145.4-108.8 133.6 -8.0 9.7 62.4 59 59 H G E -G 50 0B 15 -9,-2.0 -9,-2.1 -2,-0.5 2,-0.3 -0.809 21.1-171.5 -91.6 138.2 -8.3 13.3 61.1 60 60 H Y E -G 49 0B 68 -2,-0.4 2,-0.6 -11,-0.2 -11,-0.2 -0.957 23.8-134.9-128.0 152.7 -11.2 14.0 58.8 61 61 H N > - 0 0 18 -13,-1.8 3,-2.4 -2,-0.3 4,-0.1 -0.944 18.6-142.3-100.1 119.8 -12.2 16.9 56.6 62 62 H Q G > S+ 0 0 110 -2,-0.6 3,-1.5 1,-0.3 -1,-0.1 0.733 96.4 71.8 -59.1 -21.6 -16.0 17.5 57.1 63 63 H K G 3 S+ 0 0 132 1,-0.3 -1,-0.3 3,-0.0 -15,-0.1 0.774 102.0 44.9 -60.8 -25.4 -16.3 18.4 53.4 64 64 H F G X> S+ 0 0 8 -3,-2.4 3,-2.5 -16,-0.2 4,-2.1 0.164 78.5 142.4-105.9 15.6 -15.7 14.7 52.6 65 65 H R T <4 S+ 0 0 180 -3,-1.5 4,-0.1 1,-0.3 -3,-0.0 -0.389 80.3 8.3 -62.3 131.1 -18.1 13.2 55.3 66 66 H G T 34 S+ 0 0 69 2,-0.4 -1,-0.3 -2,-0.1 3,-0.1 0.415 123.2 74.2 75.5 -1.0 -19.8 10.2 53.9 67 67 H K T <4 S+ 0 0 40 -3,-2.5 17,-2.5 1,-0.3 2,-0.4 0.760 97.4 33.2-106.2 -42.5 -17.5 10.4 50.8 68 68 H A E < -C 83 0A 4 -4,-2.1 2,-0.4 15,-0.2 -2,-0.4 -0.968 56.7-172.1-123.5 135.1 -14.2 9.1 52.2 69 69 H T E -C 82 0A 51 13,-2.2 13,-2.7 -2,-0.4 2,-0.4 -0.993 13.5-156.6-123.5 121.6 -13.4 6.5 54.9 70 70 H L E +C 81 0A 6 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.836 20.4 161.3-102.3 131.5 -9.8 6.1 56.0 71 71 H T E -C 80 0A 64 9,-2.4 9,-2.9 -2,-0.4 2,-0.4 -0.898 23.9-147.1-138.1 168.0 -8.5 2.9 57.6 72 72 H V E -C 79 0A 43 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.997 18.0-130.2-136.4 138.0 -5.2 1.2 58.3 73 73 H D > - 0 0 63 5,-2.7 4,-2.3 -2,-0.4 5,-0.4 -0.807 15.5-153.3 -84.1 118.6 -4.3 -2.5 58.4 74 74 H K T 4 S+ 0 0 125 -2,-0.7 -1,-0.2 1,-0.2 0, 0.0 0.908 89.4 56.5 -56.7 -46.2 -2.5 -3.1 61.6 75 75 H S T 4 S+ 0 0 113 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.925 126.6 14.7 -52.5 -56.4 -0.6 -6.1 60.2 76 76 H S T 4 S- 0 0 61 2,-0.1 -1,-0.2 -53,-0.0 -2,-0.2 0.534 92.7-128.1 -99.3 -11.2 1.0 -4.4 57.2 77 77 H S < + 0 0 34 -4,-2.3 -53,-0.3 1,-0.2 2,-0.3 0.650 53.8 158.2 61.3 18.3 0.5 -0.8 58.2 78 78 H T - 0 0 3 -5,-0.4 -5,-2.7 -55,-0.1 2,-0.3 -0.551 34.8-138.8 -70.6 132.8 -1.0 -0.4 54.7 79 79 H A E -BC 22 72A 0 -57,-3.0 -57,-2.3 -2,-0.3 2,-0.4 -0.745 18.8-164.9 -95.6 144.1 -3.3 2.7 54.6 80 80 H Y E -BC 21 71A 73 -9,-2.9 -9,-2.4 -2,-0.3 2,-0.4 -0.971 13.1-167.3-129.4 142.4 -6.7 2.6 52.8 81 81 H M E -BC 20 70A 0 -61,-2.5 -61,-2.8 -2,-0.4 2,-0.5 -0.983 9.3-161.3-126.3 121.6 -9.1 5.2 51.6 82 82 H E E -BC 19 69A 55 -13,-2.7 -13,-2.2 -2,-0.4 2,-0.5 -0.881 5.3-156.5 -98.8 128.2 -12.6 4.0 50.5 83 83 H L E -BC 18 68A 0 -65,-3.1 -65,-2.0 -2,-0.5 2,-0.3 -0.931 16.9-150.7-106.9 130.1 -14.5 6.5 48.3 84 84 H H - 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