==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 25-OCT-12 4HQQ . COMPND 2 MOLECULE: CH58 FAB HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.MCLELLAN,B.F.HAYNES,P.D.KWONG . 427 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19942.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 169 39.6 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 . 3 0.7 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 . 52 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 8.0 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 1.2 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 . 3 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 . 4 3 7 4 5 6 1 1 1 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 3 3 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 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 0 195 0, 0.0 2,-0.1 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 116.3 -30.4 -6.6 0.0 2 2 H V + 0 0 23 24,-0.1 2,-0.3 22,-0.0 24,-0.2 -0.416 360.0 175.6 -66.8 145.9 -27.1 -6.9 -1.8 3 3 H Q E -A 25 0A 83 22,-1.8 22,-2.0 -2,-0.1 2,-0.5 -0.980 29.5-161.6-159.6 138.1 -24.2 -8.0 0.5 4 4 H L E -A 24 0A 7 106,-0.4 2,-0.5 -2,-0.3 108,-0.4 -0.975 17.7-173.3-122.0 115.7 -20.6 -8.9 0.4 5 5 H V E -A 23 0A 60 18,-2.7 18,-3.0 -2,-0.5 2,-0.2 -0.941 6.8-157.4-115.6 121.2 -19.4 -10.8 3.5 6 6 H Q E -A 22 0A 6 -2,-0.5 16,-0.2 16,-0.2 2,-0.1 -0.484 25.6 -95.9 -92.8 163.1 -15.7 -11.5 4.0 7 7 H S - 0 0 31 14,-1.6 -1,-0.1 -2,-0.2 3,-0.1 -0.318 51.5 -81.6 -77.5 162.6 -14.1 -14.2 6.2 8 8 H G - 0 0 51 1,-0.1 -1,-0.1 106,-0.1 13,-0.1 0.030 56.8 -72.1 -67.0 167.7 -12.8 -13.6 9.7 9 9 H A - 0 0 76 105,-0.1 2,-0.4 1,-0.1 107,-0.2 -0.228 48.8-150.1 -60.0 143.4 -9.5 -12.1 10.8 10 10 H E E -d 116 0B 59 105,-2.7 107,-2.9 -3,-0.1 2,-0.5 -0.963 14.2-166.9-122.6 133.4 -6.4 -14.3 10.4 11 11 H V E +d 117 0B 66 -2,-0.4 2,-0.3 105,-0.2 107,-0.2 -0.980 27.7 165.6-113.8 120.2 -3.2 -14.5 12.3 12 12 H K E -d 118 0B 45 105,-3.1 107,-2.6 -2,-0.5 6,-0.0 -0.869 34.8-121.9-133.2 164.3 -0.5 -16.4 10.5 13 13 H K > - 0 0 81 -2,-0.3 3,-1.7 105,-0.2 73,-0.2 -0.762 48.3 -87.2 -99.6 151.5 3.2 -17.2 10.5 14 14 H P T 3 S+ 0 0 55 0, 0.0 73,-0.2 0, 0.0 3,-0.1 -0.306 112.8 33.1 -58.6 140.0 5.4 -16.5 7.4 15 15 H G T 3 S+ 0 0 44 71,-2.3 72,-0.1 1,-0.4 2,-0.1 0.039 88.7 120.6 102.3 -24.7 5.5 -19.4 4.9 16 16 H E < - 0 0 82 -3,-1.7 70,-2.9 69,-0.2 -1,-0.4 -0.376 62.4-124.6 -71.0 150.4 1.9 -20.5 5.6 17 17 H S - 0 0 79 68,-0.2 2,-0.3 -3,-0.1 67,-0.2 -0.611 28.9-169.6 -86.8 157.0 -0.6 -20.6 2.8 18 18 H L E - B 0 83A 12 65,-2.0 65,-2.5 -2,-0.2 2,-0.5 -0.980 16.1-169.2-150.7 137.4 -3.8 -18.7 3.2 19 19 H K E - B 0 82A 106 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.963 12.9-173.6-127.6 113.1 -7.1 -18.4 1.4 20 20 H I E - B 0 81A 0 61,-2.6 61,-2.1 -2,-0.5 2,-0.3 -0.755 12.6-141.8-106.5 157.5 -9.5 -15.7 2.3 21 21 H S E - B 0 80A 32 -2,-0.3 -14,-1.6 59,-0.2 2,-0.4 -0.782 19.0-160.3-127.1 160.6 -13.1 -15.3 1.0 22 22 H a E -AB 6 79A 0 57,-2.1 57,-2.5 -2,-0.3 2,-0.5 -0.921 21.1-159.6-138.8 106.2 -15.7 -12.8 -0.2 23 23 H K E -AB 5 78A 90 -18,-3.0 -18,-2.7 -2,-0.4 2,-0.3 -0.782 3.3-153.9 -98.7 124.2 -19.2 -14.2 -0.2 24 24 H G E +A 4 0A 2 53,-2.9 2,-0.3 -2,-0.5 -20,-0.2 -0.725 17.5 170.3 -95.9 143.3 -21.9 -12.5 -2.3 25 25 H S E +A 3 0A 46 -22,-2.0 -22,-1.8 -2,-0.3 3,-0.1 -0.992 53.6 35.5-147.4 153.7 -25.6 -12.7 -1.5 26 26 H G S S+ 0 0 60 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.1 0.566 107.4 56.1 83.3 10.4 -28.8 -11.0 -2.8 27 27 H Y S S- 0 0 38 -24,-0.1 2,-1.2 -26,-0.1 -1,-0.2 -0.984 98.0 -74.4-160.1 171.7 -27.7 -10.8 -6.4 28 28 H R > - 0 0 173 -2,-0.3 3,-1.9 1,-0.2 4,-0.2 -0.592 42.7-165.8 -74.7 96.6 -26.4 -12.7 -9.5 29 29 H F G > S+ 0 0 8 -2,-1.2 3,-0.9 1,-0.3 25,-0.2 0.790 81.8 55.4 -58.4 -34.9 -22.8 -13.4 -8.4 30 30 H T G 3 S+ 0 0 55 1,-0.2 24,-1.1 23,-0.2 -1,-0.3 0.599 99.2 64.3 -75.2 -8.7 -21.6 -14.3 -11.9 31 31 H S G < S+ 0 0 32 -3,-1.9 2,-0.4 22,-0.1 -1,-0.2 0.342 93.7 61.7-101.5 5.3 -22.8 -11.0 -13.4 32 32 H Y S < S- 0 0 40 -3,-0.9 68,-0.1 -4,-0.2 22,-0.1 -0.996 78.5-117.0-138.1 134.6 -20.6 -8.5 -11.6 33 33 H W - 0 0 64 66,-0.4 66,-2.5 -2,-0.4 2,-0.5 -0.365 25.6-145.4 -61.9 143.0 -16.8 -7.9 -11.4 34 34 H I E -EF 51 98B 0 17,-2.9 17,-2.1 64,-0.2 2,-0.4 -0.968 11.3-155.5-112.6 127.4 -15.3 -8.3 -7.9 35 35 H V E -EF 50 97B 0 62,-3.2 62,-1.7 -2,-0.5 2,-0.4 -0.811 1.0-153.9-101.9 139.8 -12.4 -6.0 -7.0 36 36 H W E -EF 49 96B 0 13,-2.7 12,-2.6 -2,-0.4 13,-1.3 -0.958 14.0-175.8-111.9 135.0 -9.7 -6.8 -4.4 37 37 H V E -EF 47 95B 1 58,-2.6 58,-2.4 -2,-0.4 2,-0.4 -0.970 12.9-147.7-129.3 139.6 -7.9 -3.9 -2.6 38 38 H R E -EF 46 94B 35 8,-2.9 8,-2.3 -2,-0.4 2,-0.3 -0.878 12.0-178.0-105.9 141.6 -5.0 -4.0 -0.1 39 39 H Q E - F 0 93B 27 54,-2.5 54,-2.6 -2,-0.4 6,-0.1 -0.830 12.1-157.1-138.7 101.3 -4.5 -1.6 2.8 40 40 H M > - 0 0 52 4,-0.4 3,-2.4 -2,-0.3 52,-0.2 -0.327 49.9 -67.1 -69.5 156.8 -1.5 -2.0 5.0 41 41 H P T 3 S- 0 0 93 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.263 119.5 -5.5 -52.4 115.0 -1.6 -0.5 8.5 42 42 H G T 3 S+ 0 0 82 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.574 114.0 104.8 79.8 11.2 -1.7 3.3 8.2 43 43 H K < - 0 0 127 -3,-2.4 -1,-0.3 1,-0.2 279,-0.0 -0.504 69.1 -87.5-116.0-175.2 -1.3 3.4 4.4 44 44 H G - 0 0 20 -2,-0.2 -4,-0.4 1,-0.1 2,-0.4 -0.067 49.4 -77.4 -85.2-175.4 -3.4 4.0 1.3 45 45 H L - 0 0 8 275,-0.3 2,-0.4 -6,-0.1 -6,-0.2 -0.696 41.1-167.2 -85.1 134.4 -5.5 1.8 -0.9 46 46 H E E -E 38 0B 57 -8,-2.3 -8,-2.9 -2,-0.4 2,-0.4 -0.992 20.0-129.3-122.2 129.0 -3.7 -0.4 -3.5 47 47 H W E +E 37 0B 11 -2,-0.4 -10,-0.2 -10,-0.2 17,-0.1 -0.606 26.0 176.8 -73.0 127.7 -5.5 -2.2 -6.3 48 48 H M E - 0 0 0 -12,-2.6 13,-2.3 -2,-0.4 2,-0.3 0.814 52.8 -70.6 -96.6 -43.4 -4.6 -5.9 -6.3 49 49 H G E -EG 36 60B 0 -13,-1.3 -13,-2.7 11,-0.3 -1,-0.4 -0.985 36.9-112.3 170.3-176.1 -6.9 -7.1 -9.1 50 50 H I E -EG 35 59B 8 9,-2.6 9,-2.5 -2,-0.3 2,-0.3 -0.984 17.8-165.3-145.4 150.8 -10.4 -7.8 -10.4 51 51 H I E -EG 34 58B 0 -17,-2.1 -17,-2.9 -2,-0.3 7,-0.2 -0.999 16.5-148.6-142.8 138.6 -12.3 -10.9 -11.5 52 52 H Y E >>> - G 0 57B 64 5,-2.6 4,-1.4 -2,-0.3 3,-0.9 -0.929 14.1-158.0-101.7 108.7 -15.6 -11.6 -13.4 53 52AH P T 345S+ 0 0 0 0, 0.0 -23,-0.2 0, 0.0 21,-0.1 0.768 81.7 74.5 -61.5 -26.5 -17.0 -14.8 -11.8 54 53 H G T 345S+ 0 0 22 -24,-1.1 -23,-0.1 1,-0.2 -24,-0.1 0.870 123.3 0.2 -53.0 -46.3 -19.0 -15.5 -15.0 55 54 H D T <45S- 0 0 101 -3,-0.9 -1,-0.2 -25,-0.1 3,-0.1 0.212 99.6-108.1-131.8 13.8 -16.1 -16.7 -17.1 56 55 H F T <5 + 0 0 104 -4,-1.4 2,-0.4 1,-0.2 -2,-0.1 0.689 53.6 170.7 63.9 20.4 -13.1 -16.3 -14.6 57 56 H D E < -G 52 0B 68 -5,-0.8 -5,-2.6 -6,-0.0 2,-0.4 -0.517 14.0-176.6 -61.3 117.1 -11.8 -13.3 -16.5 58 57 H T E -G 51 0B 44 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.978 18.0-175.3-131.4 130.0 -9.1 -12.1 -14.1 59 58 H K E -G 50 0B 78 -9,-2.5 -9,-2.6 -2,-0.4 2,-0.3 -0.982 7.6-162.2-126.5 136.7 -6.8 -9.1 -14.2 60 59 H Y E -G 49 0B 45 -2,-0.4 -11,-0.3 -11,-0.2 -12,-0.1 -0.871 24.9-112.9-114.5 148.3 -3.9 -8.3 -11.8 61 60 H S >> - 0 0 11 -13,-2.3 4,-1.5 -2,-0.3 3,-1.3 -0.476 36.7-112.8 -67.7 150.3 -2.1 -5.1 -11.0 62 61 H P T 34 S+ 0 0 94 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.903 116.1 54.4 -52.8 -44.8 1.6 -5.3 -12.1 63 62 H S T 34 S+ 0 0 88 1,-0.2 -15,-0.1 3,-0.0 -2,-0.0 0.646 116.8 37.6 -68.4 -13.3 2.9 -5.2 -8.5 64 63 H F T X> S+ 0 0 12 -3,-1.3 3,-2.3 -16,-0.2 4,-1.0 0.538 83.0 120.0-113.2 -12.2 0.6 -8.1 -7.5 65 64 H Q B 3< S+j 68 0C 119 -4,-1.5 4,-0.1 -3,-0.5 -16,-0.0 -0.376 89.9 6.2 -58.3 122.1 0.9 -10.3 -10.6 66 65 H G T 34 S+ 0 0 67 2,-0.5 -1,-0.3 -2,-0.2 3,-0.1 0.425 115.0 85.4 85.3 -0.7 2.3 -13.7 -9.6 67 66 H Q T <4 S+ 0 0 108 -3,-2.3 2,-0.3 1,-0.3 17,-0.3 0.683 98.5 12.2-100.2 -24.6 2.3 -12.8 -6.0 68 67 H V B < -j 65 0C 6 -4,-1.0 -2,-0.5 15,-0.1 2,-0.5 -0.950 69.5-125.8-151.8 157.4 -1.3 -13.8 -5.2 69 68 H T E -C 82 0A 67 13,-2.4 13,-1.9 -2,-0.3 2,-0.5 -0.964 14.2-164.0-119.3 122.8 -4.1 -15.7 -6.8 70 69 H I E +C 81 0A 6 -2,-0.5 2,-0.3 11,-0.2 11,-0.2 -0.879 27.6 150.2 -98.5 132.7 -7.6 -14.4 -7.4 71 70 H S E -C 80 0A 29 9,-1.5 9,-2.7 -2,-0.5 2,-0.3 -0.876 28.5-141.1-149.3-179.1 -10.3 -17.0 -8.1 72 71 H A E -C 79 0A 14 -2,-0.3 2,-0.6 7,-0.3 7,-0.2 -0.997 10.7-146.4-152.2 148.6 -13.9 -17.7 -7.7 73 72 H D E > > -C 78 0A 59 5,-3.0 5,-1.9 -2,-0.3 3,-0.9 -0.950 15.8-168.6-114.8 106.9 -16.3 -20.6 -7.0 74 73 H K G > 5S+ 0 0 93 -2,-0.6 3,-1.5 1,-0.2 -1,-0.1 0.863 79.5 63.1 -61.8 -40.8 -19.5 -20.0 -9.0 75 74 H S G 3 5S+ 0 0 106 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.707 115.9 30.1 -67.9 -17.8 -21.6 -22.6 -7.3 76 75 H I G < 5S- 0 0 71 -3,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.099 105.4-117.7-127.3 22.1 -21.3 -20.8 -3.9 77 76 H S T < 5 + 0 0 38 -3,-1.5 -53,-2.9 1,-0.2 2,-0.4 0.819 66.4 139.4 52.1 40.0 -21.0 -17.2 -4.9 78 77 H T E < -BC 23 73A 9 -5,-1.9 -5,-3.0 -55,-0.2 2,-0.3 -0.955 37.7-163.4-123.1 132.8 -17.6 -16.8 -3.4 79 78 H A E -BC 22 72A 0 -57,-2.5 -57,-2.1 -2,-0.4 2,-0.3 -0.799 18.5-156.3-103.3 155.2 -14.5 -15.0 -4.6 80 79 H Y E -BC 21 71A 39 -9,-2.7 -9,-1.5 -2,-0.3 2,-0.4 -0.923 20.4-159.1-134.0 155.9 -11.1 -15.7 -3.1 81 80 H L E -BC 20 70A 0 -61,-2.1 -61,-2.6 -2,-0.3 2,-0.4 -0.998 28.0-176.7-127.1 129.7 -7.7 -14.2 -2.6 82 81 H Q E -BC 19 69A 64 -13,-1.9 -13,-2.4 -2,-0.4 2,-0.4 -0.988 20.5-165.6-138.5 145.6 -4.9 -16.7 -1.9 83 82 H W E -B 18 0A 9 -65,-2.5 -65,-2.0 -2,-0.4 3,-0.2 -0.934 10.6-161.1-116.8 143.3 -1.2 -16.9 -1.0 84 82AH S S S+ 0 0 109 -2,-0.4 2,-0.3 -17,-0.3 -1,-0.1 0.763 91.3 20.2 -88.5 -30.2 1.0 -20.0 -1.2 85 82BH S S S- 0 0 65 -67,-0.1 -1,-0.3 -68,-0.1 -68,-0.2 -0.779 81.3-143.7-144.7 96.8 3.6 -18.5 1.1 86 82CH L - 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