==== 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 IMMUNOGLOBULIN 15-MAR-95 1CLY . COMPND 2 MOLECULE: IGG FAB (HUMAN IGG1, KAPPA); . SOURCE 2 FRAGMENT: CH1, IGG1; . AUTHOR S.SHERIFF,J.BAJORATH . 436 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19233.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 172 39.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 6 1.4 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 . 2 0.5 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 . 59 13.5 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 . 13 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 2 1 0 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 5 4 3 4 7 3 2 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 1 3 1 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 3 L L 0 0 126 0, 0.0 23,-1.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-164.4 -6.7 -2.5 132.7 2 4 L M E -A 23 0A 22 99,-0.3 2,-0.4 21,-0.3 21,-0.2 -0.992 360.0-165.8-146.7 150.2 -7.4 1.2 131.7 3 5 L T E -A 22 0A 85 19,-1.0 19,-1.8 -2,-0.3 2,-0.5 -0.998 15.7-163.9-131.2 127.1 -6.2 4.1 129.6 4 6 L Q E -A 21 0A 9 -2,-0.4 17,-0.2 17,-0.2 99,-0.0 -0.953 11.8-144.2-120.0 127.9 -7.6 7.6 130.3 5 7 L I E +A 20 0A 112 15,-1.8 15,-1.9 -2,-0.5 2,-0.1 -0.993 67.5 39.3-138.8 139.4 -7.3 10.5 127.9 6 8 L P - 0 0 34 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.588 57.5-162.7 -82.9 167.3 -6.8 13.5 128.2 7 9 L V S S+ 0 0 117 1,-0.2 99,-2.6 98,-0.2 2,-0.3 0.941 80.7 24.7 -75.8 -50.2 -4.3 14.0 131.0 8 10 L S E -d 106 0B 53 97,-0.2 99,-0.2 99,-0.0 -1,-0.2 -0.861 66.6-168.2-116.0 149.6 -5.1 17.7 131.5 9 11 L L E -d 107 0B 30 97,-2.2 99,-1.8 -2,-0.3 2,-0.4 -0.774 3.7-165.7-145.2 91.9 -8.4 19.4 130.6 10 12 L P E +d 108 0B 65 0, 0.0 2,-0.3 0, 0.0 99,-0.2 -0.689 23.7 170.7 -75.0 124.5 -8.6 23.3 130.6 11 13 L V E -d 109 0B 4 97,-2.3 99,-3.6 -2,-0.4 2,-0.3 -0.984 29.1-129.8-140.3 147.1 -12.3 24.2 130.5 12 14 L S E > -d 110 0B 34 -2,-0.3 3,-2.0 97,-0.2 69,-0.3 -0.698 42.5 -89.7 -93.0 154.0 -14.2 27.4 131.0 13 15 L L T 3 S+ 0 0 89 97,-0.6 69,-0.2 -2,-0.3 -1,-0.1 -0.320 118.0 24.5 -60.8 139.2 -17.1 27.7 133.3 14 16 L G T 3 S+ 0 0 49 67,-3.0 -1,-0.3 1,-0.3 68,-0.1 0.032 99.2 121.8 93.5 -27.8 -20.3 26.8 131.5 15 17 L D < - 0 0 76 -3,-2.0 66,-2.4 65,-0.2 2,-0.3 -0.057 63.1-119.5 -61.3 169.8 -18.3 24.7 129.0 16 18 L Q - 0 0 106 64,-0.2 2,-0.3 -3,-0.1 63,-0.2 -0.797 28.1-166.1-110.2 152.3 -18.9 21.0 128.4 17 19 L A E - B 0 78A 5 61,-2.0 61,-2.1 -2,-0.3 2,-0.4 -0.956 8.2-162.4-138.8 154.6 -16.2 18.5 129.0 18 20 L S E - B 0 77A 47 -2,-0.3 2,-0.4 59,-0.2 59,-0.2 -0.988 4.6-175.5-141.7 126.3 -15.7 14.8 128.1 19 21 L I E - B 0 76A 0 57,-2.3 57,-3.2 -2,-0.4 2,-0.3 -0.992 15.1-165.8-122.2 132.9 -13.2 12.4 129.7 20 22 L S E -AB 5 75A 41 -15,-1.9 -15,-1.8 -2,-0.4 2,-0.3 -0.854 11.0-163.5-123.7 157.6 -12.9 8.9 128.2 21 23 L a E -AB 4 74A 2 53,-2.8 53,-2.4 -2,-0.3 2,-0.4 -0.972 5.4-159.9-137.1 149.8 -11.4 5.5 129.1 22 24 L R E -AB 3 73A 147 -19,-1.8 -19,-1.0 -2,-0.3 51,-0.2 -0.970 15.1-146.5-129.7 114.9 -10.6 2.4 127.2 23 25 L S E -A 2 0A 2 49,-1.7 -21,-0.3 -2,-0.4 4,-0.1 -0.553 23.3-120.2 -80.3 148.4 -10.2 -0.9 129.1 24 26 L S S S+ 0 0 79 -23,-1.3 2,-0.3 -2,-0.2 -1,-0.1 0.850 98.0 22.8 -52.5 -41.5 -7.7 -3.4 127.8 25 27 L Q S S- 0 0 135 -24,-0.3 -2,-0.1 46,-0.1 -1,-0.0 -0.894 107.1 -77.9-127.2 156.4 -10.4 -6.0 127.2 26 27AL I - 0 0 87 -2,-0.3 2,-0.7 1,-0.1 46,-0.2 -0.338 54.6-135.1 -52.8 122.7 -14.1 -5.6 126.8 27 27BL I + 0 0 3 44,-1.5 2,-0.3 -4,-0.1 -1,-0.1 -0.823 48.7 127.6 -95.7 112.2 -15.3 -5.1 130.3 28 27CL V - 0 0 51 -2,-0.7 6,-0.2 6,-0.1 -2,-0.0 -0.957 33.8-160.0-159.2 138.4 -18.4 -7.0 131.4 29 27DL H S S- 0 0 95 4,-1.4 2,-0.8 -2,-0.3 4,-0.1 0.563 76.6 -22.5 -86.9-121.1 -19.0 -9.2 134.5 30 27EL N S S- 0 0 106 3,-0.1 4,-0.1 1,-0.1 -1,-0.1 -0.289 103.0 -86.7 -86.4 40.6 -21.7 -11.9 134.8 31 28 L N S S+ 0 0 142 -2,-0.8 2,-2.4 1,-0.2 3,-0.1 0.540 99.8 137.1 58.5 6.8 -23.4 -9.8 132.0 32 29 L G S S- 0 0 22 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 -0.129 81.1 -77.0 -78.5 46.3 -24.5 -8.2 135.3 33 30 L N - 0 0 70 -2,-2.4 -4,-1.4 -4,-0.1 2,-0.5 0.008 61.9 -69.2 73.3 165.5 -23.8 -4.9 133.5 34 31 L T - 0 0 28 -6,-0.2 2,-1.1 -3,-0.1 -6,-0.1 -0.795 44.1-141.6 -85.6 131.0 -20.4 -3.5 132.9 35 32 L Y + 0 0 42 -2,-0.5 59,-3.0 18,-0.2 60,-0.5 -0.700 44.8 146.5 -98.0 76.7 -19.1 -2.4 136.2 36 33 L L E -E 93 0B 0 -2,-1.1 18,-2.6 57,-0.2 2,-0.3 -0.979 23.2-175.9-113.6 129.2 -17.4 0.9 135.1 37 34 L E E -E 92 0B 0 55,-2.7 55,-2.2 -2,-0.5 2,-0.4 -0.847 18.6-141.1-126.4 160.9 -17.3 3.8 137.6 38 35 L W E -EF 91 51B 0 13,-2.4 12,-2.0 -2,-0.3 13,-0.8 -0.979 16.2-168.1-126.2 129.1 -16.2 7.4 137.7 39 36 L Y E -EF 90 49B 0 51,-3.2 51,-2.1 -2,-0.4 2,-0.5 -0.881 10.5-155.1-118.0 148.9 -14.6 9.2 140.7 40 37 L L E -EF 89 48B 4 8,-2.3 8,-1.7 -2,-0.3 2,-0.7 -0.981 4.4-165.5-119.9 122.2 -13.8 12.8 141.4 41 38 L Q E -EF 88 47B 8 47,-2.5 47,-1.8 -2,-0.5 3,-0.1 -0.885 13.4-156.3-109.5 96.0 -11.0 13.5 143.8 42 39 L K > - 0 0 48 -2,-0.7 3,-1.2 4,-0.5 45,-0.2 -0.369 41.7 -78.5 -64.3 152.3 -11.5 17.1 144.8 43 40 L P T 3 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.296 115.1 10.5 -59.1 132.9 -8.2 18.7 145.9 44 41 L G T 3 S+ 0 0 83 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.779 114.4 87.7 72.0 29.9 -7.3 17.8 149.5 45 42 L Q S < S- 0 0 101 -3,-1.2 -1,-0.3 3,-0.0 3,-0.1 -0.920 82.1 -90.7-149.4 170.6 -9.9 15.1 149.9 46 43 L S - 0 0 32 -2,-0.3 -4,-0.5 282,-0.2 283,-0.1 -0.357 56.8 -90.5 -79.3 160.9 -10.6 11.5 149.4 47 44 L P E -F 41 0B 5 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 -0.307 42.8-153.5 -69.7 162.8 -12.1 10.5 146.0 48 45 L Q E -F 40 0B 65 -8,-1.7 -8,-2.3 -3,-0.1 2,-0.2 -0.977 16.7-106.7-138.8 153.9 -15.9 10.3 145.7 49 46 L L E +F 39 0B 2 -2,-0.3 -10,-0.2 276,-0.3 3,-0.1 -0.551 36.6 161.0 -81.8 142.1 -18.3 8.4 143.5 50 47 L L E + 0 0 4 -12,-2.0 8,-3.0 1,-0.4 2,-0.3 0.633 68.0 8.2-120.0 -60.9 -20.2 10.1 140.6 51 48 L I E -FG 38 57B 0 -13,-0.8 -13,-2.4 6,-0.2 -1,-0.4 -0.958 61.8-177.2-130.1 142.6 -21.4 7.3 138.2 52 49 L Y E > + G 0 56B 18 4,-2.5 4,-2.1 -2,-0.3 3,-0.4 -0.955 66.0 30.9-136.7 159.6 -21.4 3.5 138.6 53 50 L K T 4 S- 0 0 40 -2,-0.3 2,-2.6 1,-0.2 3,-0.3 0.966 128.4 -68.3 54.5 50.5 -22.5 0.7 136.3 54 51 L V T 4 S+ 0 0 16 -18,-2.6 -1,-0.2 1,-0.2 21,-0.1 -0.239 128.5 14.2 67.4 -48.4 -21.5 2.9 133.3 55 52 L S T 4 S+ 0 0 70 -2,-2.6 2,-0.5 -3,-0.4 12,-0.3 0.442 84.3 118.8-138.4 1.3 -24.3 5.5 133.7 56 53 L N E < -G 52 0B 61 -4,-2.1 -4,-2.5 -3,-0.3 2,-0.4 -0.617 57.5-135.5 -76.4 122.2 -26.1 5.3 137.1 57 54 L R E -G 51 0B 104 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.647 20.5-126.5 -78.5 128.5 -25.6 8.6 139.0 58 55 L F > - 0 0 26 -8,-3.0 3,-2.0 -2,-0.4 -1,-0.1 -0.409 44.5 -74.2 -70.5 155.6 -24.8 7.9 142.7 59 56 L S T 3 S+ 0 0 105 1,-0.3 -1,-0.2 -2,-0.1 -10,-0.1 -0.262 119.2 18.2 -57.8 124.6 -27.0 9.6 145.2 60 57 L G T 3 S+ 0 0 81 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.238 87.5 127.3 101.8 -14.3 -26.3 13.3 145.5 61 58 L V < - 0 0 10 -3,-2.0 -1,-0.3 -11,-0.2 2,-0.2 -0.599 61.2-121.7 -79.0 131.0 -24.5 13.8 142.2 62 59 L P > - 0 0 50 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.507 22.2-113.0 -71.4 149.2 -26.0 16.6 140.1 63 60 L D T 3 S+ 0 0 118 1,-0.3 16,-0.1 -2,-0.2 -2,-0.0 0.434 101.3 89.8 -65.0 2.6 -27.3 15.7 136.6 64 61 L R T 3 S+ 0 0 38 14,-0.1 15,-2.1 15,-0.1 2,-0.5 0.688 81.6 73.5 -71.4 -13.8 -24.7 17.8 134.9 65 62 L F E < +C 78 0A 5 -3,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.862 62.2 164.2-100.7 133.3 -22.7 14.5 135.0 66 63 L S E -C 77 0A 53 11,-2.0 11,-2.6 -2,-0.5 2,-0.3 -0.976 19.1-150.7-146.3 151.4 -23.6 11.6 132.8 67 64 L G E +C 76 0A 14 -12,-0.3 2,-0.3 -2,-0.3 9,-0.2 -0.911 20.5 154.9-125.4 155.6 -21.8 8.4 131.7 68 65 L S E +C 75 0A 67 7,-1.6 7,-2.6 -2,-0.3 2,-0.2 -0.940 6.1 137.8-161.8 175.5 -21.9 6.2 128.6 69 66 L G E -C 74 0A 34 5,-0.3 2,-0.3 -2,-0.3 5,-0.3 -0.636 27.4-136.4 148.7 158.2 -19.8 3.8 126.7 70 67 L S E > -C 73 0A 95 3,-1.9 3,-2.4 -2,-0.2 2,-2.0 -0.997 66.4 -25.3-145.3 144.0 -19.6 0.5 124.8 71 68 L G T 3 S- 0 0 37 -2,-0.3 -44,-1.5 1,-0.3 3,-0.1 -0.333 133.2 -13.4 59.1 -83.1 -17.3 -2.5 124.6 72 69 L T T 3 S+ 0 0 45 -2,-2.0 -49,-1.7 -46,-0.2 2,-0.5 0.425 119.2 78.1-131.0 -1.3 -14.1 -0.9 125.7 73 70 L D E < +BC 22 70A 55 -3,-2.4 -3,-1.9 -51,-0.2 2,-0.3 -0.949 48.7 173.8-120.4 128.2 -14.7 2.9 125.6 74 71 L F E -BC 21 69A 2 -53,-2.4 -53,-2.8 -2,-0.5 2,-0.4 -0.946 11.0-158.4-130.2 148.3 -16.6 4.8 128.2 75 72 L T E -BC 20 68A 33 -7,-2.6 -7,-1.6 -2,-0.3 2,-0.5 -0.980 10.5-152.7-134.6 141.1 -17.0 8.5 128.6 76 73 L L E -BC 19 67A 1 -57,-3.2 -57,-2.3 -2,-0.4 2,-0.4 -0.938 20.5-166.1-107.1 134.5 -17.9 10.9 131.4 77 74 L K E -BC 18 66A 66 -11,-2.6 -11,-2.0 -2,-0.5 2,-0.5 -0.974 15.7-166.5-127.2 136.7 -19.6 14.1 130.3 78 75 L I E -BC 17 65A 0 -61,-2.1 -61,-2.0 -2,-0.4 3,-0.2 -0.989 7.6-165.7-118.8 113.3 -20.2 17.4 132.2 79 76 L S S S+ 0 0 41 -15,-2.1 2,-0.5 -2,-0.5 -1,-0.1 0.913 80.0 18.2 -68.6 -46.1 -22.7 19.5 130.4 80 77 L R S S- 0 0 135 -16,-0.1 2,-0.3 -64,-0.1 -1,-0.3 -0.965 83.5-140.2-129.1 110.0 -22.1 22.8 132.2 81 78 L V - 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