==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 12-MAY-12 4F58 . COMPND 2 MOLECULE: LIGHT CHAIN OF FAB OF A NEUTRALIZING ANTIBODY L3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.M.PAN,X.P.KONG . 1733 12 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 75802.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1140 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 678 39.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 185 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 145 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 4 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 RESIDUES PER ALPHA HELIX . 5 4 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 0 PARALLEL BRIDGES PER LADDER . 19 12 32 4 16 30 6 2 4 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 . 4 1 14 9 8 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 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 L Q 0 0 149 0, 0.0 2,-0.2 0, 0.0 276,-0.1 0.000 360.0 360.0 360.0 -14.5 71.9 7.8 31.2 2 2 L S - 0 0 101 1,-0.1 3,-0.1 98,-0.0 101,-0.0 -0.541 360.0 -81.3 -79.4 153.7 73.8 5.4 33.5 3 3 L A - 0 0 49 -2,-0.2 99,-0.3 1,-0.1 -1,-0.1 0.000 52.5 -92.4 -49.9 153.0 74.7 6.7 36.9 4 4 L L B -a 102 0A 6 97,-1.0 99,-1.9 86,-0.2 2,-0.5 -0.435 54.3-100.4 -62.1 149.5 77.8 8.9 37.3 5 5 L T B +B 23 0B 97 18,-2.4 18,-2.2 97,-0.2 -1,-0.1 -0.656 50.2 166.6 -87.1 121.1 80.8 6.6 38.2 6 6 L Q - 0 0 20 -2,-0.5 16,-0.1 16,-0.2 2,-0.1 -0.924 43.2 -96.7-125.6 150.3 81.9 6.4 41.8 7 7 L P - 0 0 39 0, 0.0 99,-0.1 0, 0.0 3,-0.1 -0.466 29.9-135.3 -60.6 137.6 84.2 4.0 43.6 8 8 L A S S+ 0 0 72 1,-0.2 98,-2.9 97,-0.2 2,-0.4 0.946 83.2 14.1 -54.9 -52.1 82.2 1.3 45.3 9 9 L S E +e 106 0C 35 96,-0.2 2,-0.3 138,-0.1 -1,-0.2 -0.970 58.7 173.8-137.8 140.6 84.1 1.4 48.6 10 11 L V E -e 107 0C 29 96,-2.4 98,-2.1 -2,-0.4 2,-0.3 -0.987 13.1-177.4-143.2 140.7 86.5 3.8 50.2 11 12 L S E +e 108 0C 35 -2,-0.3 2,-0.3 96,-0.2 98,-0.2 -0.994 8.0 166.9-146.1 152.5 87.9 3.6 53.8 12 13 L G E -e 109 0C 1 96,-2.0 98,-2.3 -2,-0.3 6,-0.1 -0.981 34.6 -99.5-156.4 162.4 90.2 5.4 56.2 13 14 L S > - 0 0 49 -2,-0.3 3,-2.3 96,-0.2 67,-0.2 -0.518 54.3 -85.1 -81.3 153.0 91.2 5.6 59.9 14 15 L P T 3 S+ 0 0 75 0, 0.0 67,-0.2 0, 0.0 -1,-0.1 -0.381 121.8 28.9 -54.4 131.8 89.8 8.2 62.3 15 16 L G T 3 S+ 0 0 58 65,-1.8 64,-0.7 1,-0.3 66,-0.1 -0.030 103.0 108.7 103.5 -26.9 91.9 11.3 61.8 16 17 L Q < - 0 0 99 -3,-2.3 64,-2.4 63,-0.2 2,-0.4 -0.002 64.5-118.6 -77.6 179.2 92.7 10.5 58.2 17 18 L S + 0 0 80 61,-0.2 2,-0.3 62,-0.2 61,-0.2 -0.960 26.4 179.0-118.3 140.2 91.7 12.0 54.8 18 19 L I E - C 0 77B 14 59,-2.1 59,-2.5 -2,-0.4 2,-0.4 -0.955 12.4-154.7-132.1 156.6 89.8 10.4 52.0 19 20 L T E - C 0 76B 73 -2,-0.3 2,-0.4 57,-0.2 57,-0.2 -1.000 4.7-157.1-129.5 131.1 88.5 11.6 48.6 20 21 L I E - C 0 75B 0 55,-2.3 55,-2.3 -2,-0.4 2,-0.3 -0.862 15.8-142.4-101.4 142.5 85.6 10.1 46.7 21 22 L S E - C 0 74B 43 -2,-0.4 2,-0.4 53,-0.2 53,-0.2 -0.758 12.6-166.8-105.0 153.7 85.5 10.6 42.9 22 23 L a E - C 0 73B 0 51,-2.4 51,-3.5 -2,-0.3 2,-0.5 -0.934 12.2-167.8-139.6 111.5 82.5 11.3 40.7 23 24 L T E +BC 5 72B 51 -18,-2.2 -18,-2.4 -2,-0.4 49,-0.2 -0.894 18.5 148.2-114.8 122.5 83.1 10.9 37.0 24 25 L G - 0 0 12 47,-3.0 2,-0.2 -2,-0.5 47,-0.1 -0.199 38.5-102.9-120.1-147.9 80.7 12.0 34.2 25 26 L T > > - 0 0 67 -2,-0.1 5,-2.4 45,-0.1 3,-2.0 -0.768 45.0 -81.9-133.9-175.7 81.1 13.3 30.7 26 27 L T T 3 5S+ 0 0 93 1,-0.3 44,-0.0 -2,-0.2 5,-0.0 0.633 120.9 74.6 -65.4 -11.1 80.9 16.7 29.0 27 27AL S T 3 5S- 0 0 56 3,-0.1 68,-1.3 4,-0.1 -1,-0.3 0.659 122.0 -11.4 -74.0 -16.5 77.1 16.1 29.0 28 27BL D T X>5S+ 0 0 10 -3,-2.0 4,-2.7 66,-0.2 3,-1.1 0.262 137.3 29.5-142.9 -87.9 77.0 16.9 32.7 29 27CL V T 345S+ 0 0 0 1,-0.3 -3,-0.2 2,-0.2 43,-0.1 0.845 119.0 55.6 -56.5 -38.1 80.0 17.2 35.1 30 28 L G T 34 - 0 0 66 4,-0.4 3,-2.4 -2,-0.4 45,-0.1 -0.576 51.3 -71.7 -81.4 152.9 73.2 7.0 57.0 42 40 L P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.169 118.3 0.5 -53.3 129.5 71.6 3.5 56.9 43 41 L G T 3 S+ 0 0 73 1,-0.2 2,-0.2 -3,-0.1 -2,-0.0 0.542 111.9 109.9 70.9 9.2 67.8 3.7 56.9 44 42 L K S < S- 0 0 120 -3,-2.4 -1,-0.2 1,-0.1 3,-0.1 -0.709 75.0 -99.3-113.3 160.8 67.9 7.5 56.9 45 43 L A - 0 0 16 -2,-0.2 -4,-0.4 284,-0.1 286,-0.1 -0.500 49.3 -96.1 -70.5 150.2 67.0 10.2 54.3 46 44 L P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 283,-0.3 -0.322 36.9-150.4 -62.8 150.2 69.9 11.7 52.4 47 45 L K E -G 39 0C 112 -8,-2.6 -8,-3.4 281,-0.1 2,-0.2 -0.993 15.9-118.4-129.2 132.9 71.3 15.0 53.7 48 46 L A E +G 38 0C 11 -2,-0.4 -10,-0.2 279,-0.3 3,-0.1 -0.510 39.1 159.5 -73.0 133.1 72.9 17.7 51.5 49 47 L I E + 0 0 2 -12,-2.2 2,-0.4 1,-0.3 -11,-0.2 0.626 63.5 26.0-121.4 -29.8 76.5 18.5 52.3 50 48 L I E -G 37 0C 0 -13,-1.4 -13,-2.8 6,-0.2 -1,-0.3 -0.991 59.2-177.8-143.0 129.6 77.9 20.2 49.2 51 49 L F B > +J 55 0D 36 4,-1.9 4,-1.7 -2,-0.4 3,-0.4 -0.950 66.2 13.7-128.0 153.3 76.3 22.1 46.3 52 50 L D T 4 S- 0 0 37 -2,-0.3 2,-2.5 1,-0.2 3,-0.4 0.935 121.2 -70.8 52.2 52.5 77.6 23.7 43.1 53 51 L V T 4 S+ 0 0 12 -18,-2.5 -1,-0.2 1,-0.2 21,-0.1 -0.188 129.5 24.4 68.2 -47.8 81.0 21.8 43.4 54 52 L T T 4 S+ 0 0 78 -2,-2.5 12,-0.3 -3,-0.4 -1,-0.2 0.649 89.2 109.0-125.5 -21.3 82.4 23.7 46.4 55 53 L N B < -J 51 0D 78 -4,-1.7 -4,-1.9 -3,-0.4 -2,-0.1 -0.261 45.4-155.8 -75.2 152.6 79.7 25.3 48.5 56 54 L R - 0 0 88 -6,-0.2 -6,-0.2 -4,-0.1 3,-0.1 -0.980 13.7-131.5-127.1 124.6 78.7 24.1 52.0 57 55 L P > - 0 0 19 0, 0.0 3,-1.5 0, 0.0 0, 0.0 -0.359 44.0 -84.5 -64.5 156.6 75.3 24.7 53.6 58 56 L S T 3 S+ 0 0 126 1,-0.2 3,-0.1 -2,-0.0 0, 0.0 -0.315 116.3 33.9 -53.9 144.0 75.3 26.1 57.2 59 57 L G T 3 S+ 0 0 82 1,-0.3 2,-0.6 -3,-0.1 -1,-0.2 0.225 88.0 118.2 92.6 -16.2 75.7 23.4 59.8 60 58 L I S < S- 0 0 27 -3,-1.5 -1,-0.3 -11,-0.1 -11,-0.0 -0.786 71.8-115.8 -91.6 120.8 77.9 21.3 57.6 61 59 L S > - 0 0 48 -2,-0.6 3,-1.1 1,-0.1 -1,-0.1 -0.123 16.6-132.2 -46.2 141.3 81.4 20.7 59.1 62 60 L N T 3 S+ 0 0 126 1,-0.3 -1,-0.1 -6,-0.0 -2,-0.0 0.316 95.1 89.4 -90.4 13.9 84.0 22.3 56.9 63 61 L R T 3 S+ 0 0 39 16,-0.1 15,-1.7 14,-0.1 2,-0.4 0.620 81.6 77.9 -67.5 -17.5 86.1 19.1 57.1 64 62 L F E < +D 77 0B 10 -3,-1.1 2,-0.3 13,-0.2 13,-0.2 -0.798 62.4 153.3 -95.4 136.9 84.0 18.5 54.1 65 63 L S E -D 76 0B 46 11,-1.6 11,-3.0 -2,-0.4 2,-0.3 -0.982 24.1-147.9-158.3 160.5 84.9 20.1 50.8 66 64 L G E +D 75 0B 10 -12,-0.3 2,-0.3 -2,-0.3 9,-0.2 -0.936 12.3 175.7-136.3 155.1 84.5 19.6 47.1 67 65 L S E -D 74 0B 60 7,-2.1 7,-2.9 -2,-0.3 2,-0.3 -0.919 13.6-145.3-147.3 170.9 86.3 20.2 43.8 68 66 L K E +D 73 0B 54 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.998 13.1 175.9-143.6 146.4 86.1 19.6 40.1 69 67 L F E > -D 72 0B 182 3,-2.6 3,-1.6 -2,-0.3 2,-0.2 -0.826 64.3 -53.0-150.6 108.7 88.5 18.9 37.3 70 68 L G T 3 S- 0 0 48 -2,-0.3 -1,-0.1 1,-0.3 -45,-0.1 -0.445 123.0 -10.9 64.4-127.5 87.3 18.1 33.8 71 69 L N T 3 S+ 0 0 69 -2,-0.2 -47,-3.0 -47,-0.1 2,-0.5 0.233 122.5 84.2 -90.0 12.9 84.8 15.2 33.9 72 70 L T E < -CD 23 69B 43 -3,-1.6 -3,-2.6 -49,-0.2 2,-0.3 -0.963 53.8-170.8-125.9 122.9 85.6 14.3 37.5 73 71 L A E -CD 22 68B 0 -51,-3.5 -51,-2.4 -2,-0.5 2,-0.4 -0.732 14.6-156.1-101.5 156.6 84.2 15.9 40.7 74 72 L S E -CD 21 67B 23 -7,-2.9 -7,-2.1 -2,-0.3 2,-0.4 -0.996 14.6-157.3-140.6 139.5 85.6 15.1 44.1 75 73 L L E -CD 20 66B 0 -55,-2.3 -55,-2.3 -2,-0.4 2,-0.4 -0.941 16.6-163.8-109.9 137.5 84.5 15.1 47.7 76 74 L T E -CD 19 65B 39 -11,-3.0 -11,-1.6 -2,-0.4 2,-0.5 -0.985 7.1-171.9-127.3 126.0 87.1 15.3 50.4 77 75 L I E -CD 18 64B 0 -59,-2.5 -59,-2.1 -2,-0.4 2,-0.3 -0.977 10.1-175.6-118.0 122.5 86.7 14.5 54.0 78 76 L S + 0 0 47 -15,-1.7 -61,-0.2 -2,-0.5 -62,-0.2 -0.799 63.6 30.0-116.4 161.7 89.5 15.3 56.5 79 77 L G S S- 0 0 30 -64,-0.7 -1,-0.2 -2,-0.3 -63,-0.2 0.932 91.1-142.1 58.0 45.3 89.8 14.6 60.2 80 78 L L - 0 0 3 -64,-2.4 -65,-1.8 -3,-0.3 2,-0.3 -0.047 21.9-168.8 -43.7 130.0 87.7 11.5 59.6 81 79 L Q > - 0 0 90 -67,-0.2 3,-2.6 -3,-0.1 4,-0.3 -0.907 35.7-110.0-123.2 154.3 85.3 10.9 62.5 82 80 L A G > S+ 0 0 36 -2,-0.3 3,-2.2 1,-0.3 27,-0.2 0.867 117.1 61.4 -47.7 -44.6 83.1 7.8 63.2 83 81 L E G 3 S+ 0 0 141 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.621 89.0 71.5 -60.0 -15.4 80.0 9.8 62.3 84 82 L D G < + 0 0 5 -3,-2.6 2,-0.3 2,-0.0 -1,-0.3 0.637 69.5 112.3 -76.7 -13.6 81.3 10.3 58.8 85 83 L E < + 0 0 43 -3,-2.2 2,-0.3 -4,-0.3 23,-0.2 -0.480 49.6 97.4 -62.8 121.6 80.6 6.6 58.1 86 84 L A E S- H 0 107C 2 21,-1.2 21,-2.6 -2,-0.3 2,-0.4 -0.953 77.8 -72.6-180.0 177.5 77.8 6.6 55.6 87 85 L D E -FH 40 106C 50 -47,-2.4 -47,-2.6 -2,-0.3 2,-0.4 -0.796 43.4-152.7 -91.4 143.4 77.0 6.3 51.9 88 86 L Y E -FH 39 105C 0 17,-2.3 17,-1.6 -2,-0.4 2,-0.4 -0.968 10.1-170.3-122.9 133.8 77.9 9.3 49.7 89 87 L Y E -F 38 0C 6 -51,-2.2 -51,-2.3 -2,-0.4 2,-0.3 -0.979 6.9-159.4-125.7 131.0 76.2 10.3 46.5 90 88 L a E -F 37 0C 0 -2,-0.4 12,-3.4 -53,-0.2 2,-0.3 -0.705 10.2-169.3 -97.8 162.5 77.1 12.9 43.9 91 89 L A E -FI 36 101C 0 -55,-1.7 -55,-2.6 10,-0.3 2,-0.4 -0.975 2.2-161.7-151.0 140.4 74.7 14.4 41.4 92 90 L A E -FI 35 100C 1 8,-2.5 8,-2.7 -2,-0.3 2,-0.2 -0.968 21.7-122.6-128.9 139.0 75.1 16.5 38.3 93 91 L Y E - 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