==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 29-MAY-10 3N9G . COMPND 2 MOLECULE: FAB FRAGMENT OF MAB CR4354, HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.KAUFMANN,M.G.ROSSMANN . 450 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 170 37.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 42 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 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 0 RESIDUES PER ALPHA HELIX . 2 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 . 5 2 8 3 2 9 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 4 2 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 X 0 0 163 0, 0.0 2,-0.1 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 151.6 -14.5 12.8 15.2 2 2 H V - 0 0 29 24,-0.1 2,-0.4 22,-0.1 24,-0.2 -0.418 360.0-176.7 -60.3 129.8 -17.6 10.8 16.1 3 3 H Q E -A 25 0A 105 22,-2.7 22,-2.1 -2,-0.1 2,-0.5 -0.999 14.1-173.9-135.1 134.4 -17.7 10.3 19.9 4 4 H L E -A 24 0A 12 -2,-0.4 111,-0.6 109,-0.2 2,-0.6 -0.975 5.6-170.6-129.1 115.4 -20.3 8.4 21.9 5 5 H V E -A 23 0A 82 18,-2.7 18,-3.1 -2,-0.5 2,-0.2 -0.931 8.9-160.9-112.3 117.9 -20.1 8.5 25.7 6 6 H Q E -A 22 0A 10 -2,-0.6 16,-0.2 16,-0.2 89,-0.0 -0.540 23.4 -99.1 -95.7 161.0 -22.3 6.1 27.7 7 7 H S - 0 0 30 14,-1.9 -1,-0.1 -2,-0.2 3,-0.1 -0.170 52.1 -84.1 -71.6 167.8 -23.4 6.2 31.3 8 8 H G - 0 0 31 1,-0.2 -1,-0.1 109,-0.1 13,-0.1 -0.126 53.5 -69.3 -78.9 170.1 -21.6 4.1 34.0 9 9 H A - 0 0 15 107,-0.1 2,-0.3 110,-0.1 110,-0.2 -0.169 51.8-164.9 -58.3 149.2 -22.0 0.6 35.1 10 10 H E E -d 119 0B 47 108,-2.4 110,-2.3 -3,-0.1 2,-0.4 -0.929 15.6-153.7-134.3 154.9 -25.1 -0.4 37.0 11 11 H V E +d 120 0B 17 -2,-0.3 2,-0.3 201,-0.3 110,-0.2 -0.982 19.5 178.9-126.5 143.5 -26.5 -3.2 39.1 12 12 H R E -d 121 0B 71 108,-2.7 110,-2.4 -2,-0.4 3,-0.1 -0.989 26.8-121.0-140.6 150.8 -30.2 -4.2 39.4 13 13 H K > - 0 0 97 -2,-0.3 3,-1.9 108,-0.2 73,-0.2 -0.563 50.6 -85.5 -80.0 152.5 -32.4 -6.7 41.2 14 14 H P T 3 S+ 0 0 61 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.332 117.6 31.3 -55.4 139.0 -34.6 -9.0 39.0 15 15 H G T 3 S+ 0 0 58 71,-2.8 70,-0.6 1,-0.4 72,-0.1 0.097 98.6 105.6 98.3 -22.3 -37.8 -7.2 38.3 16 16 H A < - 0 0 38 -3,-1.9 70,-2.8 69,-0.2 -1,-0.4 -0.178 63.6-125.6 -79.5 178.9 -36.4 -3.7 38.2 17 17 H S - 0 0 47 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.809 13.5-155.0-122.4 165.6 -35.6 -1.5 35.2 18 18 H T E - B 0 83A 1 65,-1.9 65,-2.5 -2,-0.3 2,-0.5 -0.995 2.6-158.8-141.0 141.4 -32.5 0.3 34.0 19 19 H K E - B 0 82A 99 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.980 12.8-168.6-125.9 116.2 -32.1 3.3 31.8 20 20 H V E - B 0 81A 0 61,-2.9 61,-2.4 -2,-0.5 2,-0.3 -0.824 7.5-149.1-106.1 141.8 -28.7 3.8 30.1 21 21 H S E - B 0 80A 32 -2,-0.3 -14,-1.9 59,-0.2 2,-0.4 -0.798 9.9-164.8-114.7 157.9 -27.7 7.0 28.3 22 22 H a E -AB 6 79A 0 57,-2.0 57,-2.8 -2,-0.3 2,-0.6 -0.931 9.0-157.6-142.5 110.0 -25.4 7.7 25.3 23 23 H K E -AB 5 78A 104 -18,-3.1 -18,-2.7 -2,-0.4 2,-0.3 -0.820 15.9-156.8 -95.2 121.1 -24.2 11.2 24.7 24 24 H A E +A 4 0A 4 53,-3.1 2,-0.3 -2,-0.6 -20,-0.2 -0.695 20.0 155.5-103.0 149.2 -23.2 11.9 21.1 25 25 H S E +A 3 0A 60 -22,-2.1 -22,-2.7 -2,-0.3 3,-0.1 -0.976 43.4 58.5-158.3 167.4 -20.9 14.4 19.6 26 26 H G S S+ 0 0 54 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.1 0.550 99.8 52.9 87.8 9.1 -18.7 15.1 16.5 27 27 H Y S S- 0 0 40 -24,-0.1 2,-0.9 -26,-0.1 -1,-0.2 -0.964 103.0 -73.0-161.5 165.9 -21.4 14.9 13.9 28 28 H T > - 0 0 81 -2,-0.3 3,-2.0 1,-0.2 4,-0.2 -0.588 47.7-151.4 -71.3 105.3 -24.9 16.3 13.1 29 29 H F G > S+ 0 0 16 -2,-0.9 3,-1.0 1,-0.3 -1,-0.2 0.815 86.3 47.5 -50.9 -47.2 -27.0 14.4 15.8 30 30 H T G 3 S+ 0 0 49 1,-0.2 24,-0.3 23,-0.1 -1,-0.3 0.468 99.0 71.2 -82.3 3.2 -30.3 14.2 14.0 31 31 H H G < S+ 0 0 123 -3,-2.0 2,-0.4 22,-0.1 -1,-0.2 0.452 92.8 57.7 -96.1 -0.3 -28.9 13.0 10.7 32 32 H Y S < S- 0 0 68 -3,-1.0 -1,-0.1 -4,-0.2 71,-0.1 -0.996 77.4-122.3-136.1 134.6 -28.0 9.5 11.8 33 33 H Y - 0 0 21 -2,-0.4 66,-2.9 69,-0.3 2,-0.5 -0.297 24.7-138.7 -61.9 152.1 -29.9 6.5 13.3 34 34 H M E -EF 51 98B 2 17,-2.5 17,-2.4 64,-0.2 2,-0.3 -0.985 16.0-162.3-117.9 128.1 -28.7 5.2 16.7 35 35 H H E -EF 50 97B 0 62,-3.1 62,-2.4 -2,-0.5 2,-0.4 -0.697 7.4-149.0 -98.0 155.4 -28.6 1.4 17.3 36 36 H W E +EF 49 96B 0 13,-2.2 12,-3.1 -2,-0.3 13,-1.2 -0.995 18.9 175.4-121.9 138.0 -28.4 -0.4 20.6 37 37 H V E -EF 47 95B 0 58,-2.6 58,-3.3 -2,-0.4 2,-0.3 -0.996 10.1-159.8-138.9 134.9 -26.6 -3.8 20.8 38 38 H R E -EF 46 94B 24 8,-2.6 8,-2.4 -2,-0.4 2,-0.4 -0.837 6.2-162.0-119.9 162.7 -25.9 -5.9 23.9 39 39 H Q E -EF 45 93B 24 54,-2.1 54,-2.6 -2,-0.3 6,-0.2 -0.910 13.9-142.9-145.5 108.7 -23.5 -8.6 24.7 40 40 H A > - 0 0 32 4,-0.6 3,-2.7 -2,-0.4 52,-0.2 -0.364 52.2 -74.0 -67.6 152.3 -23.9 -11.0 27.7 41 41 H P T 3 S- 0 0 83 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.269 118.5 -2.0 -56.2 127.1 -20.6 -11.9 29.4 42 42 H G T 3 S+ 0 0 82 1,-0.2 2,-0.1 -3,-0.1 -2,-0.1 0.482 117.6 102.7 73.1 5.5 -18.7 -14.3 27.2 43 43 H Q S < S- 0 0 119 -3,-2.7 -1,-0.2 1,-0.2 2,-0.0 -0.407 71.5 -84.8-113.5-174.3 -21.5 -14.4 24.6 44 44 H G - 0 0 23 -2,-0.1 -4,-0.6 1,-0.1 2,-0.3 -0.188 48.0 -79.9 -89.9 178.6 -22.2 -12.9 21.2 45 45 H L E -E 39 0B 12 288,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.593 38.6-167.8 -78.9 138.3 -23.7 -9.6 20.0 46 46 H E E -E 38 0B 65 -8,-2.4 -8,-2.6 -2,-0.3 2,-0.2 -0.974 17.9-134.2-130.6 117.0 -27.5 -9.1 20.0 47 47 H W E -E 37 0B 20 -2,-0.4 -10,-0.3 -10,-0.2 3,-0.1 -0.497 20.6-177.1 -68.5 133.6 -29.2 -6.2 18.2 48 48 H M E - 0 0 0 -12,-3.1 13,-2.7 1,-0.4 2,-0.3 0.738 48.7 -74.2-103.3 -32.2 -31.8 -4.5 20.4 49 49 H G E -EG 36 60B 0 -13,-1.2 -13,-2.2 11,-0.3 -1,-0.4 -0.955 37.1-105.5 158.9-173.1 -33.2 -1.9 18.1 50 50 H I E -EG 35 59B 2 9,-2.3 9,-2.2 -2,-0.3 2,-0.4 -0.989 17.2-159.4-149.5 143.9 -32.8 1.5 16.4 51 51 H I E -EG 34 58B 1 -17,-2.4 -17,-2.5 -2,-0.3 7,-0.2 -0.987 16.0-138.3-129.3 141.5 -34.1 5.0 16.8 52 52 H N > - 0 0 35 5,-2.7 4,-2.1 -2,-0.4 5,-0.3 -0.879 9.7-157.1 -93.8 111.8 -34.3 7.9 14.4 53 53 H P T 4 S+ 0 0 2 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.763 82.7 77.8 -65.8 -20.5 -33.3 11.0 16.4 54 54 H S T 4 S- 0 0 70 -24,-0.3 3,-0.4 1,-0.2 -2,-0.1 -0.805 124.1 -10.9 -83.4 102.8 -35.2 13.0 13.8 55 55 H G T 4 S- 0 0 67 -2,-1.0 -1,-0.2 1,-0.2 -25,-0.0 0.017 99.3-107.8 96.5 -29.1 -38.8 12.4 14.9 56 56 H G < + 0 0 20 -4,-2.1 -1,-0.2 1,-0.2 14,-0.1 0.569 58.7 161.6 85.2 10.2 -38.0 9.7 17.4 57 57 H S - 0 0 71 -3,-0.4 -5,-2.7 -5,-0.3 2,-0.3 -0.320 19.1-162.6 -63.8 147.6 -39.4 6.7 15.5 58 58 H T E -G 51 0B 51 -7,-0.2 2,-0.4 -9,-0.0 -7,-0.2 -0.931 22.7-164.5-132.2 154.3 -38.2 3.3 16.7 59 59 H T E -G 50 0B 59 -9,-2.2 -9,-2.3 -2,-0.3 2,-0.3 -0.975 21.4-161.8-133.7 126.5 -37.9 -0.3 15.7 60 60 H Y E -G 49 0B 36 -2,-0.4 -11,-0.3 -11,-0.2 5,-0.1 -0.797 29.3 -95.2-108.7 151.3 -37.2 -2.9 18.3 61 61 H A >> - 0 0 14 -13,-2.7 3,-1.7 -2,-0.3 4,-1.0 -0.367 38.3-124.3 -53.4 134.0 -35.9 -6.5 18.2 62 62 H Q G >4 S+ 0 0 159 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.867 109.0 57.6 -54.6 -38.8 -38.9 -8.8 18.3 63 63 H K G 34 S+ 0 0 131 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.683 112.6 40.3 -68.8 -17.5 -37.6 -10.6 21.4 64 64 H L G X> S+ 0 0 2 -3,-1.7 3,-2.2 -16,-0.1 4,-0.9 0.473 82.1 127.2-106.2 -8.1 -37.5 -7.4 23.4 65 65 H Q T << S+ 0 0 129 -4,-1.0 4,-0.1 -3,-0.7 -3,-0.0 -0.288 71.6 30.1 -54.8 128.2 -40.7 -5.8 22.1 66 66 H G T 34 S+ 0 0 74 2,-0.4 -1,-0.3 0, 0.0 3,-0.1 0.234 122.0 46.2 104.6 -14.0 -42.8 -4.8 25.1 67 67 H R T <4 S+ 0 0 30 -3,-2.2 17,-2.5 1,-0.1 2,-0.4 0.393 92.8 78.4-141.2 6.8 -40.1 -4.1 27.6 68 68 H V E < -C 83 0A 5 -4,-0.9 -2,-0.4 15,-0.2 2,-0.4 -0.930 51.5-176.6-112.3 141.9 -37.5 -1.9 25.8 69 69 H T E -C 82 0A 66 13,-2.2 13,-2.9 -2,-0.4 2,-0.4 -0.987 5.4-166.1-136.0 123.7 -38.0 1.8 25.2 70 70 H M E +C 81 0A 5 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.926 17.2 162.5-109.8 139.5 -35.6 4.0 23.2 71 71 H T E -C 80 0A 54 9,-1.9 9,-2.9 -2,-0.4 2,-0.3 -0.886 17.7-153.2-143.4 170.2 -35.8 7.8 23.3 72 72 H R E -C 79 0A 82 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.988 14.0-147.5-147.2 158.6 -33.7 10.8 22.6 73 73 H D E >> -C 78 0A 61 5,-2.5 5,-1.8 -2,-0.3 4,-0.6 -0.972 12.7-165.7-124.1 109.3 -33.3 14.4 23.6 74 74 H T T 45S+ 0 0 72 -2,-0.5 -44,-0.1 1,-0.2 -45,-0.1 0.751 84.8 59.1 -74.0 -21.1 -32.1 16.4 20.5 75 75 H S T 45S+ 0 0 102 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.811 117.1 31.9 -75.5 -28.1 -31.0 19.5 22.5 76 76 H T T 45S- 0 0 47 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.343 103.4-127.5-108.2 4.7 -28.5 17.4 24.5 77 77 H S T <5 + 0 0 34 -4,-0.6 -53,-3.1 1,-0.2 2,-0.4 0.882 61.2 143.4 49.3 44.9 -27.7 15.0 21.7 78 78 H T E < -BC 23 73A 10 -5,-1.8 -5,-2.5 -55,-0.2 2,-0.4 -0.945 37.4-161.6-119.5 134.5 -28.4 12.1 24.1 79 79 H V E -BC 22 72A 0 -57,-2.8 -57,-2.0 -2,-0.4 2,-0.4 -0.897 11.8-158.1-109.3 144.7 -30.1 8.8 23.3 80 80 H Y E -BC 21 71A 65 -9,-2.9 -9,-1.9 -2,-0.4 2,-0.4 -0.933 10.6-164.2-123.5 147.4 -31.6 6.6 26.1 81 81 H M E -BC 20 70A 0 -61,-2.4 -61,-2.9 -2,-0.4 2,-0.5 -0.991 9.0-171.6-128.9 121.5 -32.4 2.9 26.3 82 82 H E E -BC 19 69A 67 -13,-2.9 -13,-2.2 -2,-0.4 2,-0.5 -0.963 0.9-172.7-114.3 127.4 -34.7 1.7 29.1 83 83 H L E -BC 18 68A 0 -65,-2.5 -65,-1.9 -2,-0.5 3,-0.2 -0.983 10.4-165.7-121.6 126.3 -35.2 -2.1 29.7 84 84 H S + 0 0 41 -17,-2.5 -67,-0.2 -2,-0.5 -68,-0.1 -0.527 60.2 33.2-109.6 173.3 -37.8 -3.2 32.2 85 85 H S S S- 0 0 62 -70,-0.6 -1,-0.2 -2,-0.2 -68,-0.2 0.915 83.9-158.3 47.7 52.1 -38.7 -6.4 34.1 86 86 H L - 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