==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNOGLOBULIN 12-SEP-02 1H3P . COMPND 2 MOLECULE: ANTIBODY FAB FRAGMENT; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.C.PIZARRO,B.VULLIEZ-LE-NORMAND,M.M.RIOTTOT,A.BUDKOWSKA, . 432 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 38.4 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 . 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 . 53 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 7.4 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 . 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 . 1 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 0 PARALLEL BRIDGES PER LADDER . 3 8 5 4 3 8 1 1 0 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 2 4 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 0 174 0, 0.0 2,-0.1 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 151.7 3.9 19.1 23.3 2 2 H V - 0 0 39 24,-0.1 2,-0.4 2,-0.0 24,-0.3 -0.433 360.0-162.0 -75.3 152.6 4.6 16.8 20.3 3 3 H Q E -A 25 0A 77 22,-3.8 22,-1.9 -2,-0.1 2,-0.5 -0.988 20.8-178.5-144.8 132.5 6.5 13.5 21.0 4 4 H L E -A 24 0A 2 -2,-0.4 2,-0.7 20,-0.2 104,-0.5 -0.921 13.6-179.0-129.3 101.0 8.4 11.0 18.9 5 5 H V E -A 23 0A 76 18,-2.3 18,-3.3 -2,-0.5 2,-0.2 -0.897 6.6-166.4-108.1 110.8 9.7 8.2 21.0 6 6 H E E +A 22 0A 16 -2,-0.7 16,-0.3 16,-0.3 2,-0.3 -0.628 14.6 162.7 -93.8 153.9 11.7 5.6 19.1 7 7 H S E +A 21 0A 60 14,-2.8 14,-2.6 -2,-0.2 103,-0.1 -0.932 38.3 79.2-156.5 177.5 12.6 2.1 20.5 8 8 H G + 0 0 47 1,-0.3 11,-0.2 -2,-0.3 -1,-0.1 0.395 69.7 129.1 94.2 -1.5 13.8 -1.4 19.7 9 9 H G + 0 0 30 12,-0.1 2,-0.3 85,-0.1 -1,-0.3 -0.153 21.6 94.1 -79.0 177.9 17.4 -0.2 19.4 10 10 H G E S-e 112 0B 21 101,-0.9 103,-1.6 100,-0.1 2,-0.3 -0.915 72.8 -10.6 137.8-164.1 20.5 -1.7 21.0 11 11 H L E +e 113 0B 48 -2,-0.3 2,-0.4 101,-0.2 103,-0.2 -0.520 57.8 173.7 -75.8 133.3 23.2 -4.2 20.3 12 12 H V E -e 114 0B 16 101,-2.8 103,-1.0 -2,-0.3 3,-0.1 -0.997 32.0-115.4-143.7 135.4 22.9 -6.4 17.2 13 13 H K > - 0 0 136 -2,-0.4 3,-1.9 101,-0.2 103,-0.2 -0.388 46.7 -92.1 -67.8 142.7 25.3 -8.9 15.7 14 14 H P T 3 S+ 0 0 71 0, 0.0 73,-0.2 0, 0.0 72,-0.2 -0.054 114.8 25.9 -50.1 158.4 26.5 -8.0 12.2 15 15 H G T 3 S+ 0 0 59 71,-2.6 70,-0.5 70,-0.3 72,-0.1 0.449 104.3 124.0 64.4 -4.3 24.5 -9.5 9.3 16 16 H G E < - B 0 86A 20 -3,-1.9 70,-2.6 70,-0.6 2,-0.3 -0.067 58.2-119.3 -79.3-177.8 21.6 -9.4 11.8 17 17 H S E + 0 0 79 68,-0.2 2,-0.3 67,-0.2 67,-0.2 -0.937 24.1 179.4-127.7 149.6 18.2 -7.8 11.7 18 18 H L E - B 0 83A 36 65,-2.1 65,-2.9 -2,-0.3 2,-0.6 -0.994 17.7-149.2-149.8 142.3 16.5 -5.2 13.8 19 19 H K E - B 0 82A 99 -2,-0.3 63,-0.2 63,-0.2 2,-0.2 -0.924 16.7-159.0-117.7 105.5 13.1 -3.5 13.7 20 20 H L E - B 0 81A 0 61,-3.2 61,-2.6 -2,-0.6 2,-0.3 -0.556 9.4-164.5 -81.7 146.7 13.0 0.1 15.0 21 21 H S E -AB 7 80A 29 -14,-2.6 -14,-2.8 59,-0.2 2,-0.4 -0.943 7.7-160.1-132.3 153.9 9.8 1.6 16.1 22 22 H a E -AB 6 79A 0 57,-2.4 57,-2.7 -2,-0.3 2,-0.7 -0.980 9.2-148.0-139.7 126.7 8.6 5.1 16.9 23 23 H A E -AB 5 78A 44 -18,-3.3 -18,-2.3 -2,-0.4 2,-0.3 -0.824 16.2-157.0 -97.1 115.9 5.6 6.3 18.9 24 24 H A E +A 4 0A 9 53,-2.7 2,-0.3 -2,-0.7 -20,-0.2 -0.700 22.8 155.6 -92.1 142.5 4.0 9.5 17.7 25 25 H S E +A 3 0A 51 -22,-1.9 -22,-3.8 -2,-0.3 3,-0.1 -0.968 44.8 46.9-163.5 147.9 2.0 11.7 20.0 26 26 H G S S+ 0 0 61 -2,-0.3 2,-0.3 -24,-0.3 -24,-0.1 0.361 106.7 45.8 100.3 -4.6 0.9 15.3 20.4 27 27 H F S S- 0 0 38 -24,-0.1 2,-2.4 -26,-0.1 -1,-0.2 -0.966 101.3 -80.2-159.2 168.1 -0.2 15.8 16.8 28 28 H T > - 0 0 93 -2,-0.3 3,-3.8 1,-0.2 4,-0.2 -0.455 46.2-175.4 -79.5 72.1 -2.1 14.1 14.1 29 29 H F G > S+ 0 0 1 -2,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.737 77.4 61.9 -34.9 -41.5 0.6 11.7 13.1 30 30 H S G 3 S+ 0 0 48 1,-0.3 -1,-0.3 44,-0.2 44,-0.1 0.590 95.1 63.0 -69.0 -9.9 -1.4 10.4 10.2 31 31 H S G < S+ 0 0 78 -3,-3.8 2,-0.3 23,-0.1 -1,-0.3 0.303 98.9 67.0 -97.2 9.0 -1.4 13.9 8.6 32 32 H Y S < S- 0 0 46 -3,-1.6 2,-0.5 21,-0.2 66,-0.0 -0.970 77.7-121.2-137.2 147.7 2.3 14.0 8.1 33 33 H A - 0 0 36 -2,-0.3 66,-0.6 21,-0.1 2,-0.3 -0.710 38.1-155.3 -80.8 127.5 5.1 12.4 6.2 34 34 H M E -FG 51 98B 0 17,-1.5 17,-2.5 -2,-0.5 2,-0.3 -0.836 9.6-165.5-110.9 147.6 7.6 10.9 8.7 35 35 H S E -FG 50 97B 0 62,-2.6 62,-2.6 -2,-0.3 2,-0.5 -0.819 17.7-136.7-127.3 165.6 11.3 10.2 8.2 36 36 H W E -FG 49 96B 0 13,-2.7 12,-2.4 -2,-0.3 13,-1.6 -0.993 24.5-177.7-122.7 121.7 14.1 8.3 9.9 37 37 H V E -FG 47 95B 0 58,-1.8 58,-3.6 -2,-0.5 2,-0.3 -0.925 7.6-158.0-119.3 147.1 17.4 10.1 10.2 38 38 H R E -FG 46 94B 17 8,-3.0 8,-3.1 -2,-0.4 2,-0.5 -0.949 7.8-150.3-129.3 149.8 20.5 8.5 11.6 39 39 H Q E -FG 45 93B 6 54,-2.6 54,-2.7 -2,-0.3 6,-0.2 -0.970 16.5-138.8-121.4 123.1 23.7 9.9 13.1 40 40 H S > - 0 0 26 4,-2.2 3,-2.5 -2,-0.5 52,-0.2 -0.246 31.2-107.3 -71.3 162.4 27.0 8.0 12.9 41 41 H P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 51,-0.1 0.823 124.2 64.4 -60.8 -25.1 29.3 7.9 15.9 42 42 H E T 3 S- 0 0 179 2,-0.1 -2,-0.1 1,-0.1 50,-0.0 0.402 122.1-112.2 -75.1 1.4 31.4 10.3 13.8 43 43 H K < + 0 0 112 -3,-2.5 2,-0.5 1,-0.2 -1,-0.1 0.686 66.5 148.5 74.2 23.2 28.5 12.7 14.2 44 44 H R - 0 0 133 2,-0.0 -4,-2.2 275,-0.0 2,-0.4 -0.754 41.7-137.6 -90.3 130.2 27.5 12.6 10.5 45 45 H L E -F 39 0B 4 -2,-0.5 2,-0.4 275,-0.4 274,-0.3 -0.737 24.3-178.2 -88.8 132.5 23.7 13.1 9.9 46 46 H E E -F 38 0B 31 -8,-3.1 -8,-3.0 -2,-0.4 2,-0.5 -0.970 24.3-137.5-136.9 121.6 22.3 10.8 7.3 47 47 H W E +F 37 0B 7 -2,-0.4 -10,-0.2 -10,-0.2 270,-0.1 -0.635 25.8 175.9 -74.8 122.7 18.7 10.7 6.1 48 48 H V E - 0 0 0 -12,-2.4 2,-0.3 -2,-0.5 -11,-0.2 0.836 51.5 -17.1 -99.9 -37.6 17.7 7.0 5.8 49 49 H A E -F 36 0B 0 -13,-1.6 -13,-2.7 11,-0.2 2,-0.3 -0.979 43.1-159.6-168.9 154.0 14.0 6.9 4.8 50 50 H E E -FH 35 59B 22 9,-2.1 9,-2.4 -2,-0.3 2,-0.4 -0.998 7.2-160.9-139.3 142.5 10.6 8.7 4.5 51 51 H V E -FH 34 58B 3 -17,-2.5 -17,-1.5 -2,-0.3 7,-0.2 -0.984 28.3-111.6-125.4 133.3 7.1 7.4 4.2 52 52 H S > - 0 0 17 5,-2.7 3,-2.1 -2,-0.4 -18,-0.1 -0.109 35.8-101.2 -57.5 158.0 4.1 9.5 2.9 53 52AH S T 3 S+ 0 0 46 1,-0.3 -21,-0.2 -22,-0.1 -1,-0.1 0.857 126.3 40.3 -49.0 -42.8 1.4 10.5 5.3 54 53 H D T 3 S- 0 0 101 -23,-0.1 -1,-0.3 1,-0.0 20,-0.1 0.394 108.9-125.0 -89.6 2.2 -0.9 7.7 4.0 55 54 H G S < S+ 0 0 33 -3,-2.1 -2,-0.1 2,-0.2 17,-0.1 0.439 78.8 119.8 70.3 -0.9 2.0 5.3 3.9 56 55 H S S S+ 0 0 72 1,-0.1 2,-0.3 -5,-0.1 -1,-0.1 0.510 73.3 46.6 -74.1 -1.3 1.3 4.5 0.2 57 56 H Y - 0 0 144 -5,-0.1 -5,-2.7 2,-0.0 2,-0.3 -0.998 59.7-176.1-145.6 139.0 4.8 5.8 -0.6 58 57 H A E -H 51 0B 43 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.969 6.5-165.2-131.6 146.5 8.3 5.2 0.7 59 58 H Y E +H 50 0B 95 -9,-2.4 -9,-2.1 -2,-0.3 -2,-0.0 -1.000 8.6 178.0-135.7 133.1 11.6 6.9 -0.4 60 59 H Y - 0 0 46 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.941 38.4 -99.9-133.5 155.0 15.1 5.8 0.4 61 60 H P >> - 0 0 8 0, 0.0 4,-1.5 0, 0.0 3,-0.8 -0.633 45.3-110.5 -74.5 126.9 18.6 7.0 -0.5 62 61 H D G >4 S+ 0 0 104 -2,-0.4 3,-0.5 1,-0.3 -2,-0.0 0.743 118.3 53.2 -19.4 -54.1 19.8 4.8 -3.3 63 62 H T G 34 S+ 0 0 89 1,-0.2 4,-0.3 3,-0.1 -1,-0.3 0.949 110.1 41.7 -52.4 -62.8 22.3 3.4 -0.8 64 63 H L G X> S+ 0 0 1 -3,-0.8 4,-1.9 2,-0.1 3,-0.6 0.600 86.6 119.1 -66.6 -10.7 20.0 2.4 2.0 65 64 H T B << S+c 68 0A 82 -4,-1.5 4,-0.1 -3,-0.5 -16,-0.0 -0.418 78.3 18.7 -61.7 112.6 17.5 1.0 -0.6 66 65 H G T 34 S+ 0 0 61 2,-0.8 -1,-0.2 -2,-0.4 -2,-0.1 -0.338 121.1 52.9 125.7 -53.4 17.1 -2.7 0.1 67 66 H R T <4 S+ 0 0 41 -3,-0.6 17,-1.9 -4,-0.3 2,-0.4 0.739 104.8 60.2 -87.4 -24.9 18.3 -3.1 3.7 68 67 H F E < -cD 65 83A 1 -4,-1.9 -2,-0.8 15,-0.2 2,-0.4 -0.863 60.0-177.7-108.4 138.8 16.1 -0.4 5.2 69 68 H T E - D 0 82A 60 13,-1.7 13,-3.1 -2,-0.4 2,-0.3 -0.949 9.8-158.1-139.0 115.7 12.3 -0.4 5.0 70 69 H I E + D 0 81A 8 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.719 21.3 161.6 -92.9 141.6 10.2 2.3 6.4 71 70 H S E - D 0 80A 38 9,-2.0 9,-3.7 -2,-0.3 2,-0.3 -0.972 17.1-156.9-153.1 159.6 6.6 1.7 7.3 72 71 H R E - D 0 79A 30 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.922 12.9-148.9-139.9 164.5 3.9 3.3 9.4 73 72 H D E >> - D 0 78A 48 5,-2.3 4,-1.9 -2,-0.3 5,-1.7 -0.869 9.2-175.2-137.2 99.6 0.7 2.5 11.3 74 73 H N T 45S+ 0 0 53 -2,-0.4 -44,-0.2 2,-0.2 -1,-0.1 0.725 86.8 53.9 -69.7 -21.4 -1.7 5.4 11.4 75 74 H A T 45S+ 0 0 96 1,-0.2 -1,-0.2 3,-0.1 -45,-0.0 0.905 119.1 34.6 -76.3 -41.6 -4.2 3.5 13.6 76 75 H K T 45S- 0 0 126 2,-0.1 -2,-0.2 -53,-0.0 -1,-0.2 0.627 103.9-133.7 -84.8 -17.4 -1.4 2.8 16.1 77 76 H N T <5 + 0 0 62 -4,-1.9 -53,-2.7 1,-0.2 2,-0.3 0.914 60.8 128.2 62.7 44.6 0.3 6.2 15.5 78 77 H T E < -BD 23 73A 20 -5,-1.7 -5,-2.3 -55,-0.2 2,-0.4 -0.969 50.4-143.7-134.1 149.4 3.7 4.6 15.2 79 78 H L E -BD 22 72A 0 -57,-2.7 -57,-2.4 -2,-0.3 2,-0.3 -0.893 19.2-160.7-111.3 140.3 6.5 4.7 12.7 80 79 H Y E -BD 21 71A 38 -9,-3.7 -9,-2.0 -2,-0.4 2,-0.3 -0.875 12.7-167.9-124.1 156.2 8.7 1.7 11.9 81 80 H L E -BD 20 70A 0 -61,-2.6 -61,-3.2 -2,-0.3 2,-0.6 -0.912 8.8-159.8-144.7 111.9 12.1 1.0 10.3 82 81 H E E -BD 19 69A 80 -13,-3.1 -13,-1.7 -2,-0.3 2,-0.5 -0.832 8.9-169.9 -98.2 122.6 13.3 -2.4 9.3 83 82 H M E -BD 18 68A 3 -65,-2.9 -65,-2.1 -2,-0.6 2,-0.3 -0.943 5.0-176.1-115.5 129.2 17.1 -3.0 8.9 84 82AH T E + 0 0 58 -17,-1.9 3,-0.2 -2,-0.5 -67,-0.2 -0.752 63.8 20.4-118.3 166.4 18.6 -6.1 7.4 85 82BH S E S- 0 0 61 -70,-0.5 -70,-0.3 -2,-0.3 -69,-0.2 0.854 85.1-153.1 43.4 40.0 22.1 -7.4 6.8 86 82CH L E -B 16 0A 0 -70,-2.6 -71,-2.6 -3,-0.2 -70,-0.6 -0.209 12.4-163.2 -48.7 112.3 23.0 -5.0 9.5 87 83 H R > - 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