==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 06-DEC-11 3UYR . COMPND 2 MOLECULE: ANTIBODY FAB HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR D.H.MARGULIES,M.G.MAGE,R.WANG,K.NATARAJAN . 441 3 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19393.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 178 40.4 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 . 4 0.9 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 . 44 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 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 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 3 4 4 3 8 3 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 6 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 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 89 0, 0.0 23,-0.6 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0-160.5 17.8 -24.5 17.6 2 3 H K - 0 0 134 104,-0.1 22,-1.8 1,-0.1 2,-0.4 0.801 360.0-158.5 68.4 130.2 16.2 -21.1 16.6 3 4 H L E -A 23 0A 5 103,-0.4 105,-0.6 20,-0.2 2,-0.5 -0.998 13.4-161.4-131.6 131.6 15.2 -17.9 18.3 4 5 H V E -A 22 0A 72 18,-2.4 18,-2.8 -2,-0.4 2,-0.2 -0.954 4.8-150.5-125.2 120.3 12.6 -15.6 16.8 5 6 H E E -A 21 0A 20 -2,-0.5 16,-0.3 16,-0.3 3,-0.1 -0.470 21.6-112.6 -83.0 152.4 12.2 -12.0 17.6 6 7 H S - 0 0 30 14,-2.6 2,-0.2 1,-0.2 -1,-0.1 -0.210 49.0 -76.2 -70.3 169.0 8.9 -10.1 17.5 7 8 H E - 0 0 136 1,-0.1 -1,-0.2 103,-0.1 13,-0.1 -0.487 50.1-169.5 -63.9 137.1 8.3 -7.3 14.9 8 9 H G + 0 0 15 -2,-0.2 104,-0.3 103,-0.1 2,-0.2 0.653 23.8 138.5 -93.1-107.3 10.1 -4.2 16.1 9 10 H G E -d 112 0B 10 102,-3.1 104,-2.5 142,-0.1 2,-0.3 -0.533 47.6 -6.9 108.0-158.9 9.3 -1.0 14.2 10 11 H L E +d 113 0B 39 102,-0.2 2,-0.3 -2,-0.2 104,-0.2 -0.559 49.3 171.8 -86.5 135.5 8.7 2.6 14.8 11 12 H V E -d 114 0B 14 102,-2.5 104,-2.1 -2,-0.3 3,-0.1 -0.996 32.2-117.8-140.3 140.9 8.3 4.2 18.2 12 13 H Q > - 0 0 78 -2,-0.3 3,-2.1 102,-0.2 73,-0.3 -0.467 43.9 -90.7 -77.6 146.6 8.1 8.0 19.1 13 14 H P T 3 S+ 0 0 73 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.326 115.0 22.4 -54.2 135.9 10.9 9.5 21.2 14 15 H G T 3 S+ 0 0 55 71,-3.2 70,-0.4 1,-0.3 72,-0.1 0.194 103.7 109.5 92.4 -14.6 10.0 9.3 24.9 15 16 H S < - 0 0 57 -3,-2.1 70,-2.6 70,-0.2 -1,-0.3 -0.240 62.6-120.5 -87.6 178.6 7.6 6.4 24.3 16 17 H S + 0 0 70 68,-0.2 2,-0.3 67,-0.2 67,-0.2 -0.811 24.5 177.3-121.9 159.5 7.9 2.7 25.3 17 18 H M E - B 0 82A 29 65,-2.8 65,-3.1 -2,-0.3 2,-0.4 -0.990 17.7-140.5-157.2 156.8 8.0 -0.6 23.6 18 19 H K E - B 0 81A 123 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.977 10.2-162.5-126.5 124.4 8.4 -4.3 24.3 19 20 H L E - B 0 80A 0 61,-2.8 61,-2.6 -2,-0.4 2,-0.3 -0.760 9.7-164.6 -94.8 148.9 10.3 -6.9 22.2 20 21 H S E - B 0 79A 31 -2,-0.3 -14,-2.6 59,-0.2 2,-0.4 -0.892 6.3-160.6-125.9 164.2 9.8 -10.6 22.6 21 22 H a E -AB 5 78A 1 57,-2.1 57,-2.9 -2,-0.3 2,-0.5 -0.970 8.2-149.8-145.6 125.8 11.7 -13.6 21.5 22 23 H T E -AB 4 77A 70 -18,-2.8 -18,-2.4 -2,-0.4 2,-0.4 -0.867 12.4-157.8-105.6 129.4 10.4 -17.1 21.1 23 24 H A E +A 3 0A 8 53,-2.0 2,-0.3 -2,-0.5 -20,-0.2 -0.812 11.5 179.1-107.9 141.3 12.8 -20.0 21.6 24 25 H S + 0 0 60 -22,-1.8 3,-0.1 -23,-0.6 52,-0.0 -0.921 52.8 32.8-131.5 156.8 12.4 -23.6 20.4 25 26 H G S S+ 0 0 73 -2,-0.3 2,-0.3 1,-0.1 -23,-0.1 0.366 97.8 65.9 89.2 -3.4 14.4 -26.8 20.5 26 27 H F S S- 0 0 34 -25,-0.1 2,-1.4 5,-0.0 -1,-0.1 -0.946 93.7 -86.8-142.0 167.4 16.1 -26.7 23.9 27 28 H T > - 0 0 83 -2,-0.3 3,-2.3 1,-0.2 4,-0.2 -0.644 45.3-160.1 -74.3 94.9 15.4 -26.7 27.6 28 29 H F G > S+ 0 0 5 -2,-1.4 3,-1.8 1,-0.3 -1,-0.2 0.855 85.6 50.7 -46.1 -50.5 14.9 -23.0 27.8 29 30 H S G 3 S+ 0 0 47 1,-0.3 -1,-0.3 44,-0.1 -2,-0.1 0.330 97.8 71.8 -79.6 9.4 15.5 -22.6 31.6 30 31 H D G < S+ 0 0 99 -3,-2.3 2,-0.4 1,-0.1 -1,-0.3 0.458 98.3 56.4 -94.9 -6.3 18.7 -24.6 31.1 31 32 H Y S < S- 0 0 63 -3,-1.8 68,-0.1 -4,-0.2 -1,-0.1 -0.988 77.3-126.6-132.4 137.3 20.3 -21.6 29.4 32 33 H Y E -E 98 0B 28 66,-0.8 66,-2.0 -2,-0.4 2,-0.3 -0.307 33.0-147.9 -55.6 157.4 21.0 -17.9 30.2 33 34 H M E -EF 97 50B 0 17,-2.4 17,-2.6 64,-0.2 2,-0.3 -0.929 13.9-169.8-135.0 159.7 19.7 -15.5 27.6 34 35 H A E -EF 96 49B 0 62,-2.8 62,-2.6 -2,-0.3 2,-0.4 -0.957 18.3-141.0-144.1 158.9 20.8 -12.2 26.2 35 36 H W E +EF 95 48B 0 13,-2.7 12,-2.5 -2,-0.3 13,-2.1 -0.994 22.1 178.7-119.0 137.3 19.9 -9.2 24.1 36 37 H V E -EF 94 46B 0 58,-2.4 58,-3.3 -2,-0.4 2,-0.3 -0.947 11.6-151.7-129.5 148.3 22.5 -7.5 21.8 37 38 H R E -EF 93 45B 13 8,-2.8 8,-2.5 -2,-0.3 2,-0.4 -0.944 3.2-159.0-126.9 151.4 22.0 -4.5 19.5 38 39 H Q E -EF 92 44B 17 54,-2.8 54,-2.9 -2,-0.3 6,-0.2 -0.988 5.1-172.6-129.8 122.6 23.7 -3.5 16.3 39 40 H V E >> - F 0 43B 56 4,-1.3 4,-0.8 -2,-0.4 3,-0.6 -0.808 30.6-113.9 -98.5 152.9 23.8 -0.1 14.7 40 41 H P T 34 S+ 0 0 103 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.583 104.2 38.0 -71.2 151.0 25.2 0.7 11.3 41 42 H E T 34 S+ 0 0 110 -2,-0.2 0, 0.0 1,-0.0 0, 0.0 0.790 126.6 122.3 46.8 42.6 28.3 2.9 11.4 42 43 H K T <4 S- 0 0 116 -3,-0.6 278,-0.0 278,-0.1 -4,-0.0 0.725 73.5-151.4 171.1-172.9 28.3 0.9 13.7 43 44 H G E < -F 39 0B 22 -4,-0.8 -4,-1.3 277,-0.1 2,-0.2 0.188 41.4 -87.0 106.6 142.7 29.2 -1.9 16.1 44 45 H L E -F 38 0B 14 275,-0.4 274,-0.4 -6,-0.2 2,-0.4 -0.580 37.3-168.8 -81.8 143.2 27.6 -4.5 18.3 45 46 H E E -F 37 0B 70 -8,-2.5 -8,-2.8 -2,-0.2 2,-0.2 -0.999 22.9-125.3-137.7 130.2 26.7 -3.6 21.9 46 47 H W E +F 36 0B 4 270,-0.4 -10,-0.2 -2,-0.4 3,-0.1 -0.559 30.0 177.3 -75.2 133.1 25.7 -6.0 24.7 47 48 H V E - 0 0 0 -12,-2.5 13,-2.4 1,-0.4 2,-0.3 0.804 50.9 -30.4-106.6 -51.0 22.3 -4.8 26.1 48 49 H A E -FG 35 59B 0 -13,-2.1 -13,-2.7 11,-0.2 -1,-0.4 -0.994 45.6-160.7-164.0 157.1 21.2 -7.3 28.7 49 50 H N E -FG 34 58B 0 9,-2.5 9,-2.6 -2,-0.3 2,-0.3 -0.985 4.4-159.2-147.3 166.1 21.2 -10.8 30.0 50 51 H I E -FG 33 57B 3 -17,-2.6 -17,-2.4 -2,-0.3 7,-0.2 -0.993 17.8-123.8-144.0 140.1 19.3 -13.0 32.3 51 52 H N - 0 0 17 5,-2.2 3,-0.5 -2,-0.3 -20,-0.1 -0.133 47.4 -77.9 -79.8-178.2 20.1 -16.3 34.2 52 53 H Y S S+ 0 0 82 1,-0.3 -21,-0.2 -22,-0.1 -22,-0.1 0.853 126.9 23.7 -51.4 -51.2 18.1 -19.5 34.0 53 54 H D S S- 0 0 109 -23,-0.1 -1,-0.3 20,-0.0 18,-0.1 0.509 108.7-109.9-100.3 -5.4 15.2 -18.7 36.3 54 55 H G S S+ 0 0 31 -3,-0.5 -2,-0.1 2,-0.2 3,-0.1 0.550 82.7 121.3 91.7 8.7 15.3 -14.9 35.9 55 56 H S S S+ 0 0 91 1,-0.2 2,-0.4 -5,-0.0 -3,-0.0 0.608 73.9 42.2 -80.8 -12.2 16.5 -14.1 39.5 56 57 H S + 0 0 49 2,-0.0 -5,-2.2 -5,-0.0 2,-0.3 -0.988 67.8 176.3-140.1 130.2 19.6 -12.4 38.3 57 58 H T E -G 50 0B 51 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.892 16.3-151.5-129.4 157.1 20.0 -9.9 35.4 58 59 H Y E -G 49 0B 29 -9,-2.6 -9,-2.5 -2,-0.3 2,-0.4 -0.991 15.2-173.0-126.0 141.7 22.7 -7.7 33.8 59 60 H Y E -G 48 0B 57 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.2 -0.988 36.5-101.6-133.1 142.5 22.2 -4.5 32.0 60 61 H L > - 0 0 29 -13,-2.4 3,-1.8 -2,-0.4 5,-0.3 -0.445 40.5-131.2 -54.1 125.9 24.4 -2.1 30.0 61 62 H D G > S+ 0 0 145 1,-0.3 3,-2.3 -2,-0.2 -1,-0.1 0.857 99.5 63.1 -58.9 -40.8 25.0 0.6 32.5 62 63 H S G 3 S+ 0 0 71 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.617 85.8 75.7 -65.5 -12.7 24.1 3.6 30.3 63 64 H L G X S- 0 0 1 -3,-1.8 3,-2.2 -16,-0.1 -1,-0.3 0.657 89.4-148.1 -70.8 -15.5 20.6 2.3 29.9 64 65 H K T < - 0 0 171 -3,-2.3 -2,-0.1 1,-0.3 -3,-0.1 0.819 62.6 -59.2 50.2 37.1 19.9 3.6 33.5 65 66 H G T 3 S+ 0 0 59 -5,-0.3 -1,-0.3 -4,-0.1 -4,-0.1 0.565 105.9 124.2 76.0 10.6 17.4 0.8 34.2 66 67 H R < + 0 0 25 -3,-2.2 17,-1.5 17,-0.1 2,-0.4 0.693 63.6 64.5 -74.2 -22.0 15.1 1.9 31.3 67 68 H F E -C 82 0A 2 15,-0.2 2,-0.4 -20,-0.1 15,-0.2 -0.839 65.9-164.2-104.1 141.6 15.3 -1.6 29.9 68 69 H I E -C 81 0A 70 13,-2.6 13,-3.1 -2,-0.4 2,-0.4 -0.984 3.1-160.5-125.9 124.4 13.9 -4.8 31.5 69 70 H I E +C 80 0A 4 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.841 25.1 157.6 -96.3 132.2 14.9 -8.3 30.4 70 71 H S E -C 79 0A 37 9,-2.0 9,-3.3 -2,-0.4 2,-0.4 -0.974 25.9-145.4-148.5 166.1 12.5 -11.1 31.5 71 72 H R E -C 78 0A 24 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.997 10.1-146.9-139.1 134.6 11.5 -14.6 30.6 72 73 H D E >>> -C 77 0A 60 5,-2.9 5,-2.4 -2,-0.4 4,-0.8 -0.888 15.2-173.5 -97.3 104.9 8.3 -16.6 30.7 73 74 H I T 345S+ 0 0 68 -2,-0.8 -1,-0.2 1,-0.2 -44,-0.1 0.749 83.2 57.2 -69.2 -28.4 9.5 -20.1 31.4 74 75 H A T 345S+ 0 0 95 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.690 118.9 30.9 -76.2 -19.8 6.0 -21.5 30.9 75 76 H K T <45S- 0 0 38 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.360 104.3-121.1-118.9 2.0 5.8 -20.0 27.4 76 77 H N T <5 + 0 0 65 -4,-0.8 -53,-2.0 1,-0.2 2,-0.4 0.909 64.4 145.6 58.3 43.0 9.5 -20.2 26.4 77 78 H I E < -BC 22 72A 33 -5,-2.4 -5,-2.9 -55,-0.2 2,-0.4 -0.930 39.6-159.3-120.9 137.9 9.5 -16.4 25.8 78 79 H L E -BC 21 71A 0 -57,-2.9 -57,-2.1 -2,-0.4 2,-0.3 -0.942 17.1-163.0-109.3 134.8 12.2 -13.8 26.4 79 80 H Y E -BC 20 70A 52 -9,-3.3 -9,-2.0 -2,-0.4 2,-0.4 -0.885 17.8-166.5-116.7 149.3 11.2 -10.1 26.7 80 81 H L E -BC 19 69A 0 -61,-2.6 -61,-2.8 -2,-0.3 2,-0.5 -0.919 12.6-163.8-129.5 104.1 12.9 -6.8 26.5 81 82 H Q E -BC 18 68A 79 -13,-3.1 -13,-2.6 -2,-0.4 2,-0.5 -0.772 8.5-166.7 -81.7 128.5 10.8 -3.9 27.9 82 83 H M E -BC 17 67A 1 -65,-3.1 -65,-2.8 -2,-0.5 2,-0.3 -0.983 4.6-170.0-123.1 125.9 12.2 -0.6 26.7 83 84 H S + 0 0 40 -17,-1.5 -67,-0.2 -2,-0.5 -68,-0.1 -0.797 58.7 6.8-115.7 154.7 11.1 2.7 28.3 84 85 H S S S- 0 0 53 -70,-0.4 -1,-0.2 -2,-0.3 -68,-0.2 0.901 82.9-151.6 45.0 63.6 11.5 6.4 27.5 85 86 H L - 0 0 2 -70,-2.6 -71,-3.2 -73,-0.3 2,-0.3 -0.316 15.6-167.6 -74.4 143.8 13.2 5.8 24.1 86 87 H R > - 0 0 104 -73,-0.2 3,-2.1 -72,-0.1 4,-0.3 -0.768 41.3 -99.4-118.3 169.1 15.7 8.2 22.6 87 88 H C G > S+ 0 0 95 1,-0.3 3,-1.6 -2,-0.3 27,-0.3 0.782 118.8 69.2 -58.9 -26.7 17.1 8.3 19.0 88 89 H E G 3 S+ 0 0 115 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.602 88.5 64.2 -70.6 -11.4 20.2 6.5 20.3 89 90 H D G < S+ 0 0 0 -3,-2.1 -1,-0.3 2,-0.0 2,-0.2 0.528 72.6 116.6 -89.0 -8.2 18.2 3.3 20.9 90 91 H T < + 0 0 47 -3,-1.6 2,-0.3 -4,-0.3 23,-0.2 -0.457 46.5 106.3 -59.1 124.8 17.5 3.0 17.2 91 92 H A E S- H 0 112B 7 21,-1.9 21,-2.7 -2,-0.2 2,-0.6 -0.978 75.0 -78.1 179.5 171.1 19.1 -0.3 16.2 92 93 H T E -EH 38 111B 34 -54,-2.9 -54,-2.8 -2,-0.3 2,-0.5 -0.872 46.5-151.4 -91.0 123.9 18.7 -3.9 15.2 93 94 H Y E -EH 37 110B 0 17,-3.2 17,-2.3 -2,-0.6 2,-0.5 -0.858 8.5-161.9-101.5 128.7 18.1 -6.0 18.3 94 95 H Y E -E 36 0B 14 -58,-3.3 -58,-2.4 -2,-0.5 2,-0.3 -0.955 11.6-145.2-112.3 129.6 19.1 -9.6 18.4 95 96 H a E -E 35 0B 0 -2,-0.5 12,-2.6 -60,-0.2 2,-0.3 -0.695 31.0-178.1 -76.8 136.0 17.8 -12.3 20.9 96 97 H A E -EI 34 106B 0 -62,-2.6 -62,-2.8 -2,-0.3 2,-0.4 -0.999 30.2-126.2-143.6 148.1 20.6 -14.7 21.8 97 98 H R E -EI 33 105B 30 8,-2.7 7,-1.2 -2,-0.3 8,-0.9 -0.783 28.8-149.0 -87.7 134.5 21.3 -17.8 23.8 98 99 H L E +EI 32 103B 0 -66,-2.0 -66,-0.8 -2,-0.4 2,-0.4 -0.919 21.0 170.2-113.4 122.8 24.2 -17.4 26.3 99 100 H T E > - 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