==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 24-JUL-09 3IFP . COMPND 2 MOLECULE: 12B4 FAB ANTIBODY HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR W.I.WEIS,H.FEINBERG,G.S.BASI,D.SCHENK . 1765 15 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 76252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1155 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 704 39.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.7 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 . 193 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 137 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 8 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 . 4 0 0 4 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 . 28 16 16 12 16 36 4 0 8 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 . 0 0 20 4 0 0 0 0 0 0 0 4 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 2 H V 0 0 59 0, 0.0 2,-0.3 0, 0.0 24,-0.3 0.000 360.0 360.0 360.0 122.8 92.5 -6.6 31.4 2 3 H T E -A 24 0A 85 22,-2.3 22,-2.1 109,-0.1 2,-0.3 -0.941 360.0-159.9-141.2 159.1 90.4 -3.8 29.8 3 4 H L E -A 23 0A 13 109,-0.3 111,-0.5 -2,-0.3 2,-0.4 -0.993 4.2-168.8-139.4 146.8 86.8 -2.8 29.0 4 5 H K E -A 22 0A 139 18,-2.3 18,-2.8 -2,-0.3 2,-0.3 -0.941 10.6-150.0-139.1 114.3 85.4 -0.3 26.5 5 6 H E E +A 21 0A 4 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.633 19.3 176.2 -84.0 139.9 81.8 0.9 26.3 6 7 H S E +A 20 0A 52 14,-3.1 14,-2.9 -2,-0.3 110,-0.1 -0.921 18.5 111.4-136.3 162.6 80.3 2.0 23.0 7 8 H G - 0 0 39 -2,-0.3 2,-0.5 12,-0.2 12,-0.1 -0.891 66.8 -49.6 152.5 173.7 76.8 3.1 22.0 8 9 H P - 0 0 57 0, 0.0 2,-0.4 0, 0.0 10,-0.0 -0.680 40.9-150.6 -81.2 120.6 74.8 6.0 20.9 9 10 H G S S+ 0 0 41 -2,-0.5 109,-0.2 109,-0.1 111,-0.0 -0.770 75.9 30.4 -79.6 139.0 75.2 9.2 22.9 10 11 H I + 0 0 63 -2,-0.4 2,-0.3 107,-0.1 110,-0.2 0.802 63.8 168.7 70.5 111.5 71.9 11.1 22.6 11 12 H L B -d 120 0B 15 108,-1.6 110,-1.6 4,-0.1 -1,-0.1 -0.802 32.2-113.1-130.6 174.3 68.5 9.3 22.2 12 13 H Q > - 0 0 85 -2,-0.3 3,-2.9 108,-0.2 74,-0.3 -0.897 48.5 -72.0-116.8 153.3 65.0 10.8 22.4 13 14 H P T 3 S+ 0 0 41 0, 0.0 74,-0.2 0, 0.0 3,-0.1 -0.061 120.6 12.9 -49.6 123.7 62.4 10.0 25.0 14 15 H S T 3 S+ 0 0 74 72,-3.0 71,-0.7 1,-0.3 73,-0.1 0.122 94.7 122.9 98.4 -16.7 61.0 6.5 24.4 15 16 H Q < - 0 0 78 -3,-2.9 71,-1.9 70,-0.2 2,-0.5 -0.201 67.4-102.3 -68.6 169.3 63.6 5.3 21.9 16 17 H T - 0 0 63 69,-0.2 2,-0.5 68,-0.1 68,-0.2 -0.846 25.2-148.4-102.5 127.3 65.7 2.1 22.7 17 18 H L E - B 0 83A 0 66,-2.4 66,-2.5 -2,-0.5 2,-0.5 -0.814 11.6-173.0 -89.8 126.5 69.2 2.3 23.9 18 19 H S E - B 0 82A 70 -2,-0.5 2,-0.4 64,-0.2 64,-0.2 -0.979 10.6-170.4-117.5 114.8 71.5 -0.6 22.9 19 20 H L E - B 0 81A 3 62,-3.0 62,-2.0 -2,-0.5 2,-0.4 -0.843 6.7-155.0-109.4 141.1 74.9 -0.4 24.7 20 21 H T E -AB 6 80A 35 -14,-2.9 -14,-3.1 -2,-0.4 2,-0.5 -0.936 6.0-166.6-118.0 139.2 78.0 -2.5 23.9 21 22 H a E -AB 5 79A 0 58,-2.4 58,-2.0 -2,-0.4 2,-0.6 -0.955 7.0-165.1-121.3 109.7 80.9 -3.3 26.2 22 23 H S E +AB 4 78A 44 -18,-2.8 -18,-2.3 -2,-0.5 2,-0.2 -0.850 18.7 177.9 -95.1 123.1 84.0 -4.8 24.5 23 24 H F E +A 3 0A 9 54,-1.9 2,-0.3 -2,-0.6 -20,-0.2 -0.656 13.8 174.8-116.8 173.3 86.3 -6.4 27.0 24 25 H S E +A 2 0A 51 -22,-2.1 -22,-2.3 -2,-0.2 3,-0.1 -0.957 54.3 65.4-167.3 164.7 89.6 -8.3 27.1 25 26 H G S S+ 0 0 58 1,-0.3 2,-0.3 -2,-0.3 -22,-0.1 0.192 106.8 45.9 99.8 -15.1 92.1 -9.8 29.5 26 27 H F S S- 0 0 21 -24,-0.2 2,-0.4 51,-0.0 -1,-0.3 -0.896 75.3-128.5-144.7 176.5 89.4 -12.2 30.7 27 28 H S > - 0 0 38 -2,-0.3 3,-1.8 -3,-0.1 6,-0.2 -0.998 11.5-140.0-134.1 133.4 86.8 -14.6 29.2 28 29 H L T 3 S+ 0 0 0 -2,-0.4 46,-0.1 46,-0.3 4,-0.1 0.412 101.7 64.2 -74.4 5.5 83.1 -14.9 30.1 29 30 H S T 3 S+ 0 0 84 45,-0.2 2,-0.5 2,-0.1 -1,-0.3 0.504 75.7 112.3 -98.7 -6.4 83.3 -18.7 29.9 30 31 H T S X S- 0 0 67 -3,-1.8 3,-3.0 1,-0.1 24,-0.2 -0.531 86.0 -98.1 -68.5 117.3 85.7 -18.7 32.9 31 32 H N T 3 S+ 0 0 88 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 -0.039 108.8 12.9 -34.2 121.7 84.0 -20.3 35.9 32 33 H G T 3 S+ 0 0 1 1,-0.3 69,-1.3 -4,-0.1 -1,-0.3 0.102 94.7 136.9 98.1 -20.0 82.8 -17.5 38.1 33 34 H M < + 0 0 8 -3,-3.0 21,-1.9 67,-0.2 -1,-0.3 -0.079 20.4 151.0 -65.1 158.1 83.2 -14.7 35.6 34 35 H G E -E 53 0C 0 19,-0.2 65,-2.6 20,-0.1 2,-0.4 -0.922 29.6-144.9-176.6 156.6 80.7 -12.0 35.0 35 36 H V E -EF 52 98C 0 17,-1.8 17,-2.8 -2,-0.3 2,-0.3 -0.978 15.4-172.8-126.4 145.5 80.1 -8.4 34.0 36 37 H S E -EF 51 97C 0 61,-2.1 61,-1.8 -2,-0.4 2,-0.4 -0.838 20.3-122.1-128.1 173.1 77.6 -5.9 35.2 37 38 H W E -EF 50 96C 0 13,-2.4 12,-2.9 -2,-0.3 13,-0.9 -0.937 24.0-179.2-119.0 137.1 76.5 -2.4 34.1 38 39 H I E -EF 48 95C 0 57,-3.1 57,-4.3 -2,-0.4 2,-0.3 -1.000 6.7-164.0-137.9 134.6 76.6 0.7 36.3 39 40 H R E -EF 47 94C 10 8,-2.9 8,-3.2 -2,-0.4 55,-0.3 -0.895 2.4-162.1-123.9 153.1 75.5 4.2 35.4 40 41 H Q E - F 0 93C 21 53,-3.3 53,-1.8 -2,-0.3 6,-0.2 -0.902 13.4-137.4-142.4 114.6 76.1 7.5 36.9 41 42 H P > - 0 0 39 0, 0.0 3,-1.6 0, 0.0 2,-0.2 -0.160 50.5 -75.5 -60.1 155.8 74.3 10.9 36.4 42 43 H S T 3 S- 0 0 122 1,-0.3 3,-0.1 49,-0.2 49,-0.0 -0.360 116.8 -3.0 -60.4 121.2 76.4 14.1 36.1 43 44 H G T 3 S+ 0 0 74 1,-0.2 -1,-0.3 -2,-0.2 2,-0.2 0.846 120.6 96.6 65.4 37.7 77.7 15.1 39.6 44 45 H K S < S- 0 0 130 -3,-1.6 -1,-0.2 1,-0.1 2,-0.1 -0.624 73.4 -66.6-140.0-166.9 75.9 12.2 41.2 45 46 H G - 0 0 24 -2,-0.2 2,-0.4 -3,-0.1 283,-0.1 -0.405 47.3 -96.8 -92.6 165.3 76.1 8.7 42.6 46 47 H L - 0 0 12 281,-0.5 280,-0.6 -6,-0.2 2,-0.5 -0.673 32.7-163.5 -80.1 129.8 76.6 5.3 40.9 47 48 H E E -EG 39 325C 66 -8,-3.2 -8,-2.9 -2,-0.4 2,-0.2 -0.977 14.5-137.1-115.2 120.4 73.4 3.3 40.2 48 49 H W E -E 38 0C 2 276,-0.6 -10,-0.2 -2,-0.5 3,-0.1 -0.567 22.4-179.2 -74.5 138.5 73.9 -0.4 39.5 49 50 H L E - 0 0 1 -12,-2.9 12,-2.5 1,-0.3 2,-0.3 0.870 48.6 -32.0-109.9 -53.6 71.8 -1.7 36.6 50 51 H A E -EH 37 60C 0 -13,-0.9 -13,-2.4 10,-0.2 2,-0.4 -0.963 46.7-145.3-170.5 158.0 72.1 -5.4 35.8 51 52 H H E -EH 36 59C 0 8,-2.6 8,-1.4 -2,-0.3 2,-0.4 -0.998 4.5-160.4-141.4 137.6 74.6 -8.3 35.9 52 53 H I E -EH 35 58C 1 -17,-2.8 -17,-1.8 -2,-0.4 6,-0.2 -0.964 10.4-154.2-124.2 133.9 75.3 -11.4 33.8 53 54 H Y E > -E 34 0C 1 4,-2.4 3,-1.4 -2,-0.4 -19,-0.2 -0.514 31.6-105.9-100.9 167.7 77.2 -14.5 34.8 54 55 H W T 3 S+ 0 0 44 -21,-1.9 -20,-0.1 1,-0.3 -23,-0.1 0.857 119.0 58.0 -60.3 -38.3 79.2 -17.1 32.9 55 56 H D T 3 S- 0 0 68 -22,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.149 122.9-106.2 -81.3 25.0 76.4 -19.7 33.3 56 57 H E S < S+ 0 0 105 -3,-1.4 -2,-0.1 1,-0.2 -1,-0.1 0.471 73.9 145.9 64.9 4.2 74.1 -17.2 31.5 57 58 H D - 0 0 65 -5,-0.1 -4,-2.4 1,-0.0 2,-0.3 -0.278 29.8-163.6 -61.9 157.2 72.3 -16.4 34.8 58 59 H K E -H 52 0C 77 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.927 15.6-165.4-144.1 163.0 71.2 -12.8 35.1 59 60 H R E -H 51 0C 68 -8,-1.4 -8,-2.6 -2,-0.3 2,-0.4 -0.921 10.8-158.8-157.6 128.9 70.1 -10.3 37.8 60 61 H Y E -H 50 0C 41 -2,-0.3 -10,-0.2 -10,-0.2 -11,-0.1 -0.858 31.4-107.0-117.3 143.6 68.4 -7.0 37.4 61 62 H N >> - 0 0 8 -12,-2.5 4,-2.1 -2,-0.4 3,-1.9 -0.588 39.5-140.8 -56.0 115.8 67.9 -3.9 39.4 62 63 H P T 34 S+ 0 0 67 0, 0.0 -1,-0.2 0, 0.0 -13,-0.0 0.720 94.7 64.9 -67.2 -24.0 64.3 -4.5 40.3 63 64 H S T 34 S+ 0 0 84 1,-0.2 -2,-0.1 3,-0.0 3,-0.0 0.575 121.5 22.1 -75.9 -7.4 63.2 -0.9 40.0 64 65 H L T X> S+ 0 0 23 -3,-1.9 3,-3.1 -15,-0.1 4,-0.6 0.501 84.5 127.5-126.6 -18.0 64.1 -1.1 36.2 65 66 H K T 3< S+ 0 0 125 -4,-2.1 4,-0.1 1,-0.3 -5,-0.0 -0.228 75.3 45.8 -49.9 96.2 63.9 -4.9 35.6 66 67 H S T 34 S+ 0 0 104 -2,-0.6 -1,-0.3 2,-0.1 18,-0.1 -0.179 108.1 51.7 153.0 -54.8 61.5 -4.7 32.7 67 68 H R T <4 S+ 0 0 52 -3,-3.1 17,-1.9 16,-0.1 2,-0.3 0.431 104.7 81.4 -85.8 -1.1 63.1 -1.9 30.7 68 69 H L E < +C 83 0A 7 -4,-0.6 2,-0.3 15,-0.2 15,-0.2 -0.835 47.9 172.1-113.2 146.0 66.4 -3.8 30.9 69 70 H T E -C 82 0A 64 13,-1.4 13,-2.6 -2,-0.3 2,-0.4 -0.936 11.3-166.5-146.6 122.3 67.8 -6.8 29.1 70 71 H I E +C 81 0A 2 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.899 15.3 162.0-111.6 142.8 71.4 -8.0 29.5 71 72 H S E -C 80 0A 48 9,-2.1 9,-3.2 -2,-0.4 2,-0.3 -0.994 20.8-141.5-155.7 156.8 73.2 -10.4 27.2 72 73 H K E -C 79 0A 34 -2,-0.3 7,-0.2 7,-0.2 2,-0.1 -0.757 13.1-153.2-119.8 163.8 76.7 -11.7 26.3 73 74 H D E > > -C 78 0A 46 5,-2.6 3,-1.0 -2,-0.3 5,-0.9 -0.658 21.3-179.8-128.7 74.3 78.7 -12.7 23.3 74 75 H T G > 5S+ 0 0 47 1,-0.3 3,-1.6 2,-0.2 -46,-0.3 0.870 79.1 50.8 -38.6 -56.2 81.1 -15.1 24.9 75 76 H S G 3 5S+ 0 0 101 1,-0.3 -1,-0.3 2,-0.1 -46,-0.0 0.850 117.1 40.1 -55.1 -39.2 82.9 -16.0 21.7 76 77 H N G < 5S- 0 0 107 -3,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.137 108.2-118.0-101.9 19.0 83.4 -12.3 20.8 77 78 H N T < 5 + 0 0 50 -3,-1.6 -54,-1.9 -4,-0.3 2,-0.3 0.922 68.8 130.7 46.5 58.5 84.3 -10.9 24.3 78 79 H Q E < -BC 22 73A 46 -5,-0.9 -5,-2.6 -56,-0.2 2,-0.4 -0.984 42.5-163.7-144.4 151.9 81.3 -8.6 24.5 79 80 H V E -BC 21 72A 0 -58,-2.0 -58,-2.4 -2,-0.3 2,-0.3 -0.998 13.7-162.4-137.2 130.3 78.4 -7.7 26.8 80 81 H F E -BC 20 71A 54 -9,-3.2 -9,-2.1 -2,-0.4 2,-0.4 -0.832 6.7-166.9-115.7 151.5 75.3 -5.8 25.7 81 82 H L E -BC 19 70A 1 -62,-2.0 -62,-3.0 -2,-0.3 2,-0.5 -0.996 5.8-164.7-134.2 130.0 72.6 -3.9 27.6 82 83 H K E -BC 18 69A 88 -13,-2.6 -13,-1.4 -2,-0.4 2,-0.5 -0.966 3.4-169.2-117.7 131.8 69.3 -2.8 26.2 83 84 H I E -BC 17 68A 2 -66,-2.5 -66,-2.4 -2,-0.5 3,-0.3 -0.948 13.1-154.0-119.1 111.3 67.1 -0.2 27.8 84 85 H T S S+ 0 0 47 -17,-1.9 -68,-0.1 -2,-0.5 -69,-0.1 -0.438 70.1 10.9 -79.8 152.4 63.6 0.1 26.3 85 86 H N S S- 0 0 103 -71,-0.7 -1,-0.2 -2,-0.1 -70,-0.2 0.937 83.7-164.9 47.5 68.0 61.5 3.3 26.5 86 87 H V - 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