==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 05-MAY-09 3HC4 . COMPND 2 MOLECULE: IMMUNOGLOBULIN IGG1 FAB, HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.W.ARNDT,J.L.JORDAN,A.LUGOVSKOY,D.WANG . 425 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 64.7 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 . 175 41.2 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 . 2 0.5 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 . 37 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.6 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 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 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 . 4 4 5 4 3 9 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 0 0 0 0 0 0 0 1 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 Q 0 0 162 0, 0.0 2,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 121.0 31.3 2.0 0.5 2 2 H V + 0 0 27 24,-0.2 2,-0.4 22,-0.1 24,-0.2 -0.450 360.0 174.0 -68.3 128.7 29.2 5.1 0.5 3 3 H Q E -A 25 0A 97 22,-2.3 22,-1.9 -2,-0.2 2,-0.5 -0.990 21.1-169.8-143.0 131.4 31.0 7.9 2.3 4 4 H L E -A 24 0A 13 102,-0.4 2,-0.5 -2,-0.4 104,-0.4 -0.995 12.8-172.5-122.3 115.6 30.2 11.6 2.7 5 5 H V E -A 23 0A 81 18,-2.4 18,-3.2 -2,-0.5 2,-0.2 -0.974 5.9-160.2-118.5 120.2 33.0 13.6 4.2 6 6 H Q E -A 22 0A 9 -2,-0.5 16,-0.2 16,-0.2 14,-0.0 -0.527 22.5 -99.7 -96.9 161.9 32.5 17.2 5.2 7 7 H S - 0 0 30 14,-1.5 -1,-0.1 -2,-0.2 3,-0.1 -0.208 51.1 -83.8 -73.6 169.5 34.8 20.1 5.8 8 8 H G - 0 0 53 1,-0.2 -1,-0.1 102,-0.1 13,-0.1 -0.043 57.0 -59.9 -81.3 175.4 35.9 21.2 9.3 9 9 H A - 0 0 81 100,-0.1 2,-0.3 1,-0.1 103,-0.2 -0.127 50.9-155.9 -56.2 146.3 34.4 23.4 12.0 10 10 H E E -d 112 0B 50 101,-2.7 103,-2.4 -3,-0.1 2,-0.4 -0.928 11.5-163.9-127.5 145.9 33.8 27.0 11.1 11 11 H V E +d 113 0B 65 -2,-0.3 2,-0.3 101,-0.2 103,-0.2 -0.996 21.1 171.5-132.8 125.3 33.5 30.2 13.3 12 12 H K E -d 114 0B 51 101,-3.0 103,-2.6 -2,-0.4 6,-0.1 -0.908 29.8-122.7-134.2 155.4 31.9 33.3 11.8 13 13 H K > - 0 0 82 -2,-0.3 3,-2.2 101,-0.2 73,-0.2 -0.689 50.4 -83.0 -90.9 153.0 30.7 36.7 12.7 14 14 H P T 3 S+ 0 0 68 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.281 118.0 30.3 -54.0 140.2 27.2 37.9 12.1 15 15 H G T 3 S+ 0 0 55 71,-2.8 70,-0.5 1,-0.4 72,-0.1 0.108 98.3 108.0 93.3 -19.2 26.8 39.1 8.5 16 16 H E < - 0 0 89 -3,-2.2 70,-2.8 69,-0.1 -1,-0.4 -0.129 63.6-124.4 -78.2 177.4 29.5 36.8 7.1 17 17 H S - 0 0 48 67,-0.2 2,-0.4 68,-0.2 67,-0.2 -0.887 14.3-155.5-119.6 158.1 29.0 33.7 4.9 18 18 H V E - B 0 83A 1 65,-2.1 65,-2.5 -2,-0.3 2,-0.4 -0.983 0.3-161.0-132.4 144.7 30.1 30.1 5.4 19 19 H K E - B 0 82A 98 -2,-0.4 2,-0.4 63,-0.2 63,-0.3 -0.991 9.7-170.1-128.7 120.4 30.7 27.5 2.7 20 20 H V E - B 0 81A 0 61,-2.8 61,-2.4 -2,-0.4 2,-0.3 -0.899 9.6-146.3-112.1 136.6 30.7 23.8 3.8 21 21 H S E - B 0 80A 31 -2,-0.4 -14,-1.5 59,-0.2 2,-0.3 -0.696 8.5-163.3-103.7 158.9 31.8 20.9 1.5 22 22 H a E -AB 6 79A 1 57,-2.3 57,-2.7 -2,-0.3 2,-0.6 -0.908 8.7-158.7-143.2 103.2 30.6 17.4 1.3 23 23 H K E -AB 5 78A 83 -18,-3.2 -18,-2.4 -2,-0.3 2,-0.3 -0.810 14.7-159.3 -91.6 118.9 32.9 15.0 -0.6 24 24 H A E +A 4 0A 1 53,-3.2 2,-0.3 -2,-0.6 -20,-0.2 -0.766 18.7 158.8-102.2 142.7 30.9 11.9 -1.8 25 25 H S E +A 3 0A 43 -22,-1.9 -22,-2.3 -2,-0.3 3,-0.1 -0.977 46.0 51.4-152.3 166.1 32.3 8.5 -2.8 26 26 H G S S+ 0 0 46 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 0.455 102.7 53.6 87.1 0.5 31.3 4.9 -3.1 27 27 H Y S S- 0 0 35 -26,-0.1 2,-1.1 -24,-0.1 -1,-0.2 -0.955 100.2 -78.6-153.9 170.4 28.3 5.6 -5.4 28 28 H T > - 0 0 88 -2,-0.3 3,-2.0 1,-0.2 4,-0.3 -0.656 41.4-160.0 -78.6 100.9 27.3 7.3 -8.6 29 29 H F G > S+ 0 0 6 -2,-1.1 3,-0.8 1,-0.3 25,-0.2 0.767 83.9 58.2 -52.7 -35.6 27.1 11.0 -7.4 30 30 H T G 3 S+ 0 0 43 1,-0.2 24,-0.7 23,-0.2 -1,-0.3 0.502 99.2 58.8 -78.2 -4.5 25.0 12.2 -10.3 31 31 H T G < S+ 0 0 60 -3,-2.0 2,-0.4 22,-0.1 -1,-0.2 0.385 97.0 59.3-111.4 2.3 22.1 9.7 -9.6 32 32 H Y S < S- 0 0 56 -3,-0.8 2,-0.2 -4,-0.3 22,-0.1 -0.980 81.4-112.5-129.3 144.8 21.0 10.6 -6.0 33 33 H Y - 0 0 101 -2,-0.4 66,-2.0 66,-0.3 2,-0.5 -0.510 26.7-150.7 -66.9 142.6 19.8 13.8 -4.4 34 34 H L E -EF 51 98B 0 17,-2.8 17,-2.3 64,-0.2 2,-0.2 -0.983 18.0-169.0-118.7 122.1 22.1 15.3 -1.9 35 35 H H E -EF 50 97B 3 62,-3.2 62,-2.4 -2,-0.5 2,-0.4 -0.694 18.3-139.2-109.8 161.5 20.5 17.3 0.9 36 36 H W E +EF 49 96B 0 13,-2.4 12,-3.1 -2,-0.2 13,-1.2 -0.983 24.6 171.9-120.2 134.8 21.6 19.6 3.6 37 37 H V E -EF 47 95B 0 58,-2.5 58,-3.6 -2,-0.4 2,-0.3 -0.986 13.1-156.9-139.0 138.3 20.1 19.4 7.1 38 38 H R E -EF 46 94B 11 8,-2.8 8,-2.8 -2,-0.3 2,-0.4 -0.864 0.6-156.8-120.0 162.2 21.1 21.2 10.3 39 39 H Q E +EF 45 93B 39 54,-2.4 54,-2.6 -2,-0.3 6,-0.2 -0.991 23.0 146.9-141.5 124.5 20.6 20.4 14.0 40 40 H A E >> -E 44 0B 24 4,-1.2 4,-2.5 -2,-0.4 3,-1.0 -0.978 51.8 -90.2-147.5 154.2 20.6 22.7 17.0 41 41 H P T 34 S+ 0 0 134 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.382 109.0 26.4 -61.3 144.4 18.8 22.7 20.3 42 42 H G T 34 S+ 0 0 85 1,-0.2 0, 0.0 -2,-0.0 0, 0.0 0.089 129.8 39.9 91.6 -27.3 15.5 24.6 20.2 43 43 H Q T <4 S- 0 0 123 -3,-1.0 -1,-0.2 1,-0.1 2,-0.1 0.505 92.1-166.3-114.5 -20.4 14.8 24.2 16.5 44 44 H G E < -E 40 0B 23 -4,-2.5 -4,-1.2 2,-0.1 2,-0.4 -0.405 53.2 -1.3 76.4-150.3 16.0 20.6 16.3 45 45 H L E S-E 39 0B 10 268,-0.4 267,-0.6 -6,-0.2 2,-0.4 -0.661 70.9-175.1 -76.9 132.6 16.6 19.0 12.9 46 46 H E E -EG 38 311B 19 -8,-2.8 -8,-2.8 -2,-0.4 2,-0.3 -0.990 20.8-135.2-137.0 121.4 15.9 21.4 10.0 47 47 H W E +E 37 0B 2 263,-0.7 -10,-0.2 -2,-0.4 3,-0.1 -0.594 21.9 179.3 -77.3 134.3 15.9 20.6 6.3 48 48 H M E - 0 0 0 -12,-3.1 13,-2.8 1,-0.4 2,-0.3 0.779 47.5 -65.0-106.1 -38.0 17.7 23.2 4.2 49 49 H G E -EH 36 60B 0 -13,-1.2 -13,-2.4 11,-0.3 -1,-0.4 -0.941 38.5-117.7 167.0 172.6 17.6 22.1 0.6 50 50 H W E -EH 35 59B 22 9,-2.4 9,-2.0 -2,-0.3 2,-0.3 -0.947 7.8-156.3-133.4 159.1 18.8 19.6 -2.0 51 51 H I E -EH 34 58B 4 -17,-2.3 -17,-2.8 -2,-0.3 7,-0.2 -0.983 11.3-149.1-125.4 144.7 20.8 19.4 -5.2 52 52 H Y E >>> - H 0 57B 66 5,-2.8 4,-2.0 -2,-0.3 3,-1.5 -0.944 14.3-160.5-105.1 101.3 20.5 16.8 -7.9 53 53 H P T 345S+ 0 0 6 0, 0.0 -23,-0.2 0, 0.0 21,-0.2 0.722 79.5 74.1 -63.8 -19.8 24.1 16.6 -9.2 54 54 H G T 345S+ 0 0 30 -24,-0.7 -24,-0.1 -25,-0.2 -23,-0.1 0.819 123.1 6.3 -56.0 -36.2 23.1 15.0 -12.5 55 55 H N T <45S- 0 0 89 -3,-1.5 -1,-0.2 2,-0.1 3,-0.1 0.389 99.1-114.6-130.3 0.4 21.7 18.3 -13.7 56 56 H G T <5 + 0 0 46 -4,-2.0 2,-0.1 1,-0.3 -2,-0.0 0.484 59.8 154.2 78.2 4.2 22.6 20.9 -11.0 57 57 H H E < -H 52 0B 116 -5,-0.6 -5,-2.8 -6,-0.1 2,-0.3 -0.406 19.3-176.4 -68.6 139.3 18.9 21.5 -10.1 58 58 H A E -H 51 0B 38 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.987 15.5-164.9-138.4 148.8 18.5 22.6 -6.5 59 59 H Q E -H 50 0B 69 -9,-2.0 -9,-2.4 -2,-0.3 2,-0.3 -0.997 12.6-157.2-136.1 139.2 15.6 23.4 -4.2 60 60 H Y E -H 49 0B 75 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.3 -0.852 28.5-102.3-121.2 150.2 15.6 25.3 -1.0 61 61 H N > - 0 0 9 -13,-2.8 3,-1.8 -2,-0.3 5,-0.3 -0.559 33.5-138.3 -61.6 122.8 13.6 25.6 2.2 62 62 H E G > S+ 0 0 174 -2,-0.4 3,-1.9 1,-0.3 -1,-0.2 0.731 95.2 75.3 -63.2 -20.6 11.8 28.9 1.7 63 63 H K G 3 S+ 0 0 65 1,-0.3 -1,-0.3 2,-0.1 -15,-0.0 0.730 84.9 63.6 -65.3 -22.9 12.4 29.8 5.3 64 64 H F G X S- 0 0 2 -3,-1.8 3,-2.0 -16,-0.2 -1,-0.3 0.543 98.8-141.0 -80.6 -5.1 16.0 30.6 4.5 65 65 H K T < - 0 0 163 -3,-1.9 -2,-0.1 1,-0.3 -3,-0.1 0.864 66.5 -49.2 53.2 44.4 14.8 33.4 2.3 66 66 H G T 3 S+ 0 0 65 -5,-0.3 -1,-0.3 1,-0.1 -4,-0.1 0.472 108.8 119.7 77.6 2.6 17.4 32.8 -0.5 67 67 H R < + 0 0 40 -3,-2.0 17,-2.3 16,-0.1 2,-0.4 0.634 59.4 75.6 -75.5 -14.6 20.3 32.7 2.0 68 68 H V E -C 83 0A 3 15,-0.2 2,-0.4 -7,-0.2 15,-0.2 -0.849 54.6-180.0-102.3 132.9 21.3 29.1 1.0 69 69 H T E -C 82 0A 66 13,-2.2 13,-2.8 -2,-0.4 2,-0.4 -0.994 7.5-167.0-127.4 125.1 23.1 28.2 -2.2 70 70 H I E +C 81 0A 6 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.945 12.7 173.1-112.8 132.1 23.9 24.5 -2.9 71 71 H T E -C 80 0A 55 9,-2.1 9,-2.8 -2,-0.4 2,-0.3 -0.870 13.2-158.9-133.2 164.6 26.2 23.6 -5.7 72 72 H A E -C 79 0A 37 -2,-0.3 2,-0.6 7,-0.3 7,-0.2 -0.995 12.0-149.5-148.3 142.1 27.9 20.4 -6.9 73 73 H D E >>> -C 78 0A 63 5,-3.0 5,-1.5 -2,-0.3 4,-0.9 -0.949 7.5-167.9-112.9 108.4 30.9 19.6 -9.0 74 74 H K T 345S+ 0 0 144 -2,-0.6 -1,-0.1 1,-0.2 -44,-0.1 0.703 84.7 64.0 -72.0 -16.9 30.3 16.3 -10.9 75 75 H S T 345S+ 0 0 100 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.789 118.3 24.4 -71.6 -28.2 34.0 16.1 -11.8 76 76 H T T <45S- 0 0 58 -3,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.324 101.4-123.5-117.7 2.0 35.0 15.7 -8.1 77 77 H S T <5 + 0 0 34 -4,-0.9 -53,-3.2 1,-0.2 2,-0.4 0.903 65.6 138.4 50.7 48.6 31.8 14.3 -6.7 78 78 H T E < -BC 23 73A 13 -5,-1.5 -5,-3.0 -55,-0.2 2,-0.3 -0.983 37.1-163.6-126.3 133.5 31.7 17.2 -4.2 79 79 H A E -BC 22 72A 0 -57,-2.7 -57,-2.3 -2,-0.4 2,-0.3 -0.832 7.5-160.2-109.6 156.3 28.7 19.2 -3.0 80 80 H Y E -BC 21 71A 71 -9,-2.8 -9,-2.1 -2,-0.3 2,-0.4 -0.978 9.8-159.9-137.1 145.5 28.8 22.6 -1.2 81 81 H M E -BC 20 70A 0 -61,-2.4 -61,-2.8 -2,-0.3 2,-0.5 -0.998 9.9-170.0-125.0 123.5 26.3 24.6 0.9 82 82 H E E -BC 19 69A 72 -13,-2.8 -13,-2.2 -2,-0.4 2,-0.5 -0.974 0.7-169.0-113.6 127.5 26.9 28.3 1.3 83 83 H L E -BC 18 68A 0 -65,-2.5 -65,-2.1 -2,-0.5 3,-0.2 -0.981 11.6-164.6-120.0 123.2 24.8 30.2 3.8 84 84 H S + 0 0 37 -17,-2.3 -67,-0.2 -2,-0.5 -68,-0.1 -0.528 59.9 30.9-107.6 170.9 25.0 34.0 3.7 85 85 H S S S- 0 0 76 -70,-0.5 -1,-0.2 -2,-0.2 -68,-0.2 0.923 84.4-155.1 48.0 52.2 24.0 36.8 6.1 86 86 H L - 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