==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 31-MAY-11 3S96 . COMPND 2 MOLECULE: 3B5H10 FAB HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR K.WEISGRABER,C.PETERS-LIBEU,E.RUTENBER,Y.NEWHOUSE,S.FINKBEIN . 843 8 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 524 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 332 39.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 60 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 4 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 2 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 PARALLEL BRIDGES PER LADDER . 4 6 12 4 9 17 2 1 1 2 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 3 7 2 0 4 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 A Q 0 0 205 0, 0.0 2,-0.5 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 155.7 39.5 24.8 87.0 2 2 A I + 0 0 42 24,-0.2 2,-0.4 22,-0.1 24,-0.2 -0.542 360.0 164.7 -87.5 117.0 36.8 22.1 86.6 3 3 A Q E -A 25 0A 110 22,-1.9 22,-1.5 -2,-0.5 2,-0.5 -0.994 21.8-167.1-128.6 136.7 37.4 19.4 83.9 4 4 A L E -A 24 0A 7 105,-0.5 2,-0.6 -2,-0.4 107,-0.5 -0.993 15.5-166.9-115.9 117.7 35.7 16.0 83.4 5 5 A V E -A 23 0A 80 18,-2.4 18,-2.9 -2,-0.5 2,-0.2 -0.934 5.7-157.4-113.4 120.1 37.6 14.0 80.8 6 6 A Q E -A 22 0A 9 -2,-0.6 16,-0.2 16,-0.2 89,-0.0 -0.588 21.5 -99.9 -96.1 160.6 36.0 10.9 79.4 7 7 A S - 0 0 31 14,-1.9 -1,-0.1 -2,-0.2 3,-0.1 -0.101 49.2 -85.6 -69.4 171.1 37.4 7.8 77.8 8 8 A G - 0 0 44 1,-0.2 -1,-0.1 105,-0.1 13,-0.1 -0.118 56.0 -66.6 -81.8 173.7 37.6 7.3 74.0 9 9 A P - 0 0 79 0, 0.0 2,-0.4 0, 0.0 106,-0.2 -0.226 46.8-151.2 -64.1 149.5 35.1 5.9 71.5 10 10 A E E -d 115 0B 54 104,-2.6 106,-2.6 -3,-0.1 2,-0.4 -0.922 10.6-162.5-120.2 139.6 34.0 2.2 71.6 11 11 A L E +d 116 0B 38 -2,-0.4 2,-0.3 104,-0.2 106,-0.2 -0.993 26.1 167.2-117.9 126.4 32.8 -0.1 68.9 12 12 A K E -d 117 0B 63 104,-2.7 106,-2.4 -2,-0.4 108,-0.1 -0.979 33.2-119.3-141.1 146.8 31.0 -3.3 70.3 13 13 A K > - 0 0 126 -2,-0.3 3,-1.7 104,-0.2 73,-0.2 -0.487 49.3 -85.4 -79.0 149.2 28.8 -6.2 69.0 14 14 A P T 3 S+ 0 0 77 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.329 116.7 29.6 -49.2 140.3 25.3 -6.7 70.4 15 15 A G T 3 S+ 0 0 43 71,-2.9 70,-0.5 1,-0.3 72,-0.1 0.143 97.9 111.2 92.9 -19.6 25.3 -8.8 73.6 16 16 A E < - 0 0 83 -3,-1.7 70,-2.8 69,-0.2 2,-0.3 -0.069 62.7-120.7 -81.3-176.7 28.8 -7.5 74.7 17 17 A T - 0 0 35 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.887 20.6-170.1-126.2 151.2 29.7 -5.2 77.6 18 18 A V E - B 0 83A 5 65,-1.7 65,-2.1 -2,-0.3 2,-0.4 -0.990 6.7-161.2-137.7 148.5 31.5 -1.9 77.7 19 19 A K E - B 0 82A 95 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.993 12.6-172.8-131.9 124.6 32.9 0.2 80.6 20 20 A I E - B 0 81A 1 61,-2.4 61,-2.2 -2,-0.4 2,-0.3 -0.854 10.1-142.7-119.4 152.9 33.6 3.9 80.1 21 21 A S E - B 0 80A 35 -2,-0.3 -14,-1.9 59,-0.2 2,-0.4 -0.822 11.7-161.7-120.3 155.4 35.3 6.3 82.5 22 22 A a E -AB 6 79A 0 57,-2.6 57,-2.2 -2,-0.3 2,-0.5 -0.938 13.8-159.8-132.9 112.5 35.0 9.9 83.5 23 23 A K E -AB 5 78A 99 -18,-2.9 -18,-2.4 -2,-0.4 2,-0.2 -0.818 10.5-156.6 -98.2 121.5 38.0 11.4 85.3 24 24 A A E +A 4 0A 3 53,-3.1 2,-0.3 -2,-0.5 -20,-0.2 -0.649 17.2 165.2 -97.4 151.3 37.4 14.6 87.4 25 25 A S E +A 3 0A 59 -22,-1.5 -22,-1.9 -2,-0.2 3,-0.1 -0.971 49.2 50.0-155.8 156.0 39.8 17.4 88.5 26 26 A G S S+ 0 0 51 -2,-0.3 2,-0.3 1,-0.2 -24,-0.2 0.390 102.7 49.3 99.3 0.1 39.6 20.8 89.9 27 27 A Y S S- 0 0 40 -24,-0.1 2,-0.7 -26,-0.1 -1,-0.2 -0.957 98.7 -74.8-156.8 168.2 37.3 20.2 92.8 28 28 A T >> - 0 0 94 -2,-0.3 3,-1.9 1,-0.2 4,-0.5 -0.634 42.2-148.1 -75.4 111.5 36.7 17.7 95.8 29 29 A F G >4 S+ 0 0 11 -2,-0.7 3,-0.7 1,-0.3 -1,-0.2 0.821 90.3 49.1 -49.6 -50.0 35.4 14.5 94.2 30 30 A T G 34 S+ 0 0 57 1,-0.2 -1,-0.3 44,-0.1 24,-0.1 0.469 95.8 75.0 -72.6 -0.1 33.2 13.3 97.0 31 31 A T G <4 S+ 0 0 84 -3,-1.9 2,-0.4 1,-0.1 -1,-0.2 0.804 97.3 40.8 -83.9 -30.4 31.4 16.7 97.4 32 32 A Y S << S- 0 0 48 -3,-0.7 -1,-0.1 -4,-0.5 69,-0.0 -0.942 82.1-120.3-121.3 143.6 29.2 16.5 94.3 33 33 A G - 0 0 27 -2,-0.4 66,-1.7 67,-0.1 2,-0.5 -0.289 25.0-127.4 -73.2 163.7 27.2 13.6 92.8 34 34 A M E -EF 51 98B 0 17,-2.0 17,-2.3 64,-0.2 2,-0.3 -0.966 21.9-165.1-119.7 125.3 27.9 12.4 89.2 35 35 A S E -EF 50 97B 3 62,-3.4 62,-2.2 -2,-0.5 2,-0.3 -0.701 9.4-144.5 -98.3 160.2 25.1 12.0 86.6 36 36 A W E -EF 49 96B 0 13,-2.1 12,-3.0 -2,-0.3 13,-0.8 -0.966 14.0-170.2-122.7 140.9 25.1 10.2 83.2 37 37 A V E -EF 47 95B 0 58,-2.1 58,-2.8 -2,-0.3 2,-0.4 -0.997 10.3-147.3-137.4 129.2 23.2 11.5 80.2 38 38 A K E -EF 46 94B 23 8,-3.0 8,-2.2 -2,-0.4 2,-0.5 -0.875 9.7-171.4-105.6 131.9 22.6 9.6 76.9 39 39 A Q E -EF 45 93B 43 54,-3.0 54,-2.5 -2,-0.4 6,-0.1 -0.879 11.5-165.9-120.4 98.6 22.4 11.2 73.5 40 40 A A > - 0 0 11 4,-0.5 3,-2.2 -2,-0.5 52,-0.2 -0.467 39.4 -85.3 -77.1 147.8 21.2 8.7 70.8 41 41 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.340 116.2 10.6 -52.7 130.1 21.7 9.7 67.1 42 42 A G T 3 S+ 0 0 93 1,-0.3 2,-0.2 -3,-0.1 -2,-0.0 0.477 116.6 90.7 81.6 1.0 18.6 11.7 66.0 43 43 A K S < S- 0 0 126 -3,-2.2 -1,-0.3 1,-0.1 2,-0.1 -0.744 72.8-110.2-124.1 170.3 17.3 12.1 69.5 44 44 A G - 0 0 28 -2,-0.2 -4,-0.5 1,-0.2 284,-0.1 -0.372 52.2 -62.9 -92.3 179.6 17.7 14.6 72.4 45 45 A F E -E 39 0B 12 282,-0.4 281,-0.5 -6,-0.1 2,-0.4 -0.340 46.4-167.4 -63.3 139.4 19.4 14.3 75.9 46 46 A E E -E 38 0B 52 -8,-2.2 -8,-3.0 279,-0.1 2,-0.2 -0.970 17.9-133.6-131.0 114.8 18.1 11.7 78.3 47 47 A W E -E 37 0B 10 -2,-0.4 -10,-0.2 277,-0.4 277,-0.1 -0.450 16.9-171.7 -59.4 132.2 19.1 11.6 82.0 48 48 A M E - 0 0 0 -12,-3.0 13,-2.1 1,-0.4 2,-0.3 0.622 47.4 -96.0-102.0 -20.6 20.1 8.1 83.1 49 49 A G E -EG 36 60B 0 -13,-0.8 -13,-2.1 11,-0.2 -1,-0.4 -0.837 38.1 -99.9 130.5-163.5 20.4 8.8 86.8 50 50 A W E -EG 35 59B 54 9,-1.6 9,-2.8 -2,-0.3 2,-0.4 -0.938 12.0-130.2-154.2 160.2 23.3 9.6 89.2 51 51 A I E -EG 34 58B 3 -17,-2.3 -17,-2.0 -2,-0.3 2,-0.6 -0.971 25.4-123.7-119.9 137.9 25.6 8.1 91.8 52 52 A N > - 0 0 64 5,-2.6 4,-2.5 -2,-0.4 -19,-0.1 -0.719 19.7-157.1 -76.6 116.6 26.2 9.6 95.3 53 53 A T T 4 S+ 0 0 5 -2,-0.6 -1,-0.1 2,-0.2 -22,-0.1 0.674 89.1 41.6 -79.7 -14.8 30.0 10.1 95.3 54 54 A Y T 4 S+ 0 0 143 -24,-0.1 -1,-0.2 3,-0.1 -23,-0.1 0.875 126.3 29.5 -85.1 -56.0 30.1 10.1 99.2 55 55 A S T 4 S- 0 0 13 2,-0.1 -2,-0.2 -25,-0.1 453,-0.1 0.790 93.8-134.9 -79.0 -27.1 27.7 7.3 100.0 56 56 A G < + 0 0 19 -4,-2.5 -3,-0.1 1,-0.3 440,-0.1 0.484 56.8 141.3 83.7 2.9 28.3 5.2 96.8 57 57 A V - 0 0 17 435,-0.1 -5,-2.6 -5,-0.1 -1,-0.3 -0.707 37.7-154.6 -83.1 124.8 24.5 4.8 96.4 58 58 A P E -G 51 0B 19 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.659 6.1-156.9 -94.4 152.5 23.3 4.9 92.7 59 59 A T E -G 50 0B 38 -9,-2.8 -9,-1.6 -2,-0.2 2,-0.4 -0.999 12.4-157.8-124.7 128.5 19.8 5.9 91.6 60 60 A Y E -G 49 0B 34 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.2 -0.856 15.7-127.0-107.0 140.8 18.6 4.7 88.1 61 61 A V > - 0 0 36 -13,-2.1 3,-1.9 -2,-0.4 262,-0.0 -0.509 40.6-101.6 -73.6 153.6 15.9 6.2 85.9 62 62 A D G > S+ 0 0 126 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.834 120.5 54.5 -50.6 -47.8 13.3 3.6 84.9 63 63 A D G 3 S+ 0 0 107 1,-0.3 -1,-0.3 3,-0.0 -15,-0.1 0.671 109.7 52.2 -58.9 -18.8 14.6 3.0 81.4 64 64 A F G < S+ 0 0 3 -3,-1.9 2,-0.6 -16,-0.1 4,-0.5 0.097 77.9 118.1-114.3 24.4 18.0 2.3 82.9 65 65 A K S < S+ 0 0 108 -3,-1.4 4,-0.1 1,-0.1 -3,-0.0 -0.810 73.0 16.0 -93.0 122.1 17.2 -0.3 85.5 66 66 A G S S+ 0 0 55 -2,-0.6 -1,-0.1 2,-0.4 417,-0.1 -0.205 120.7 43.1 126.3 -44.6 18.8 -3.8 85.0 67 67 A R S S+ 0 0 65 18,-0.0 17,-2.5 17,-0.0 2,-0.4 0.354 95.2 82.2-112.6 -4.3 21.7 -3.6 82.6 68 68 A F E -C 83 0A 6 -4,-0.5 2,-0.5 15,-0.2 -2,-0.4 -0.904 52.3-170.8-114.0 134.6 23.5 -0.3 83.7 69 69 A A E -C 82 0A 4 13,-2.8 13,-2.9 -2,-0.4 2,-0.4 -0.973 6.9-162.4-131.4 121.2 26.0 0.0 86.6 70 70 A F E +C 81 0A 10 -2,-0.5 2,-0.3 11,-0.2 11,-0.2 -0.811 24.9 162.6 -89.8 137.7 27.4 3.3 88.0 71 71 A S E -C 80 0A 37 9,-1.9 9,-2.7 -2,-0.4 2,-0.3 -0.931 22.5-138.1-151.7 172.4 30.5 2.9 90.1 72 72 A L E -C 79 0A 46 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.951 18.4-166.0-137.4 149.1 33.5 4.9 91.6 73 73 A E E > > +C 78 0A 80 5,-2.4 5,-1.5 -2,-0.3 3,-1.1 -0.827 21.7 179.5-123.7 84.9 37.2 4.7 92.2 74 74 A T G > 5S+ 0 0 76 -2,-0.3 3,-0.8 1,-0.3 -45,-0.1 0.785 76.4 63.0 -64.4 -25.8 37.4 7.7 94.6 75 75 A S G 3 5S+ 0 0 127 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.846 112.6 38.1 -60.9 -36.1 41.2 7.3 95.1 76 76 A A G < 5S- 0 0 28 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.330 108.9-122.5 -98.4 6.4 41.4 8.1 91.3 77 77 A S T < 5 + 0 0 34 -3,-0.8 -53,-3.1 -4,-0.4 2,-0.4 0.920 68.1 138.5 50.0 46.5 38.6 10.8 91.2 78 78 A T E < -BC 23 73A 9 -5,-1.5 -5,-2.4 -55,-0.2 2,-0.4 -0.945 42.2-163.0-128.0 138.4 36.9 8.6 88.6 79 79 A A E -BC 22 72A 0 -57,-2.2 -57,-2.6 -2,-0.4 2,-0.3 -0.921 16.1-157.4-114.5 147.6 33.4 7.6 87.9 80 80 A Y E -BC 21 71A 43 -9,-2.7 -9,-1.9 -2,-0.4 2,-0.4 -0.936 11.6-158.5-127.9 144.6 32.5 4.6 85.6 81 81 A L E -BC 20 70A 0 -61,-2.2 -61,-2.4 -2,-0.3 2,-0.5 -0.990 10.7-168.4-121.3 122.7 29.5 3.5 83.6 82 82 A Q E -BC 19 69A 27 -13,-2.9 -13,-2.8 -2,-0.4 2,-0.5 -0.945 0.5-167.8-109.6 128.0 29.2 -0.2 82.7 83 83 A I E -BC 18 68A 0 -65,-2.1 -65,-1.7 -2,-0.5 3,-0.3 -0.971 10.9-164.7-116.3 126.1 26.5 -1.2 80.1 84 84 A N + 0 0 11 -17,-2.5 -67,-0.2 -2,-0.5 -68,-0.1 -0.737 62.3 20.1-114.9 159.2 25.8 -4.9 79.8 85 85 A N S S- 0 0 91 -70,-0.5 -1,-0.2 -2,-0.2 -69,-0.2 0.951 89.7-139.4 47.3 54.7 24.0 -7.0 77.1 86 86 A L - 0 0 0 -70,-2.8 -71,-2.9 -3,-0.3 2,-0.3 -0.145 20.4-163.1 -44.2 132.6 24.5 -4.2 74.6 87 87 A K > - 0 0 85 -73,-0.2 3,-2.1 -3,-0.1 4,-0.3 -0.824 33.7-109.0-114.4 161.0 21.5 -3.6 72.2 88 88 A N G > S+ 0 0 111 -2,-0.3 3,-1.5 1,-0.3 29,-0.3 0.872 119.0 59.5 -57.5 -35.8 21.4 -1.7 69.0 89 89 A E G 3 S+ 0 0 118 1,-0.3 -1,-0.3 -49,-0.0 -3,-0.0 0.472 87.1 74.8 -74.7 -3.9 19.5 1.1 70.7 90 90 A D G < + 0 0 2 -3,-2.1 2,-0.4 -50,-0.0 -1,-0.3 0.507 66.0 117.7 -81.4 -11.2 22.4 1.7 73.2 91 91 A T < + 0 0 26 -3,-1.5 2,-0.3 -4,-0.3 25,-0.2 -0.478 46.1 106.7 -57.4 121.7 24.2 3.4 70.4 92 92 A A E S- H 0 115B 0 23,-1.6 23,-2.8 -2,-0.4 2,-0.5 -0.970 75.8 -89.3-177.7 167.5 24.7 6.9 71.6 93 93 A V E -FH 39 114B 39 -54,-2.5 -54,-3.0 -2,-0.3 2,-0.5 -0.888 42.6-152.8 -94.6 130.9 27.1 9.4 73.0 94 94 A Y E -FH 38 113B 0 19,-2.2 19,-1.6 -2,-0.5 2,-0.3 -0.956 11.6-167.7-109.1 124.9 27.2 9.1 76.8 95 95 A F E -F 37 0B 8 -58,-2.8 -58,-2.1 -2,-0.5 2,-0.4 -0.886 14.2-145.0-110.5 142.5 28.2 12.2 79.0 96 96 A a E -F 36 0B 0 -2,-0.3 14,-2.5 -60,-0.2 2,-0.3 -0.830 21.3-171.2 -96.2 149.1 29.1 12.5 82.6 97 97 A A E -FI 35 109B 0 -62,-2.2 -62,-3.4 -2,-0.4 2,-0.3 -0.987 13.6-141.3-144.7 131.2 27.9 15.6 84.4 98 98 A R E -FI 34 108B 10 10,-2.6 9,-1.7 -2,-0.3 10,-1.2 -0.663 20.7-123.1 -88.9 142.3 28.7 17.0 87.8 99 99 A G - 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