==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM/TRANSPORT PROTEIN 06-SEP-10 3OR6 . COMPND 2 MOLECULE: ANTIBODY FAB FRAGMENT HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.CHAKRAPANI,J.F.CORDERO-MORALES,V.JOGINI,E.PEROZO . 534 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 167 31.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 59 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 5 7 6 3 3 4 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 4 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 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 0 176 0, 0.0 24,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.0 125.0 -122.4 21.2 2 2 A V - 0 0 107 1,-0.1 3,-0.1 22,-0.1 107,-0.1 0.100 360.0-166.2 -27.9 105.4 128.0 -121.8 18.9 3 3 A Q + 0 0 62 1,-0.2 22,-1.2 105,-0.1 2,-0.5 0.771 68.8 38.5 -74.5 -32.5 130.9 -123.1 21.0 4 4 A L E -A 24 0A 4 104,-0.3 106,-0.6 20,-0.2 2,-0.5 -0.976 68.7-165.5-126.8 120.0 133.9 -121.7 19.1 5 5 A Q E +A 23 0A 92 18,-2.4 18,-1.8 -2,-0.5 104,-0.1 -0.907 10.1 175.5-108.4 126.5 133.7 -118.2 17.5 6 6 A Q - 0 0 20 -2,-0.5 16,-0.1 16,-0.2 104,-0.1 -0.986 38.5 -99.9-130.7 140.3 136.3 -117.1 14.9 7 7 A P - 0 0 43 0, 0.0 106,-0.2 0, 0.0 14,-0.0 -0.282 33.6-125.8 -55.1 131.2 136.5 -113.9 12.8 8 8 A G S S- 0 0 33 104,-0.2 105,-3.4 1,-0.1 2,-0.3 0.860 78.5 -6.6 -47.9 -47.0 135.2 -114.5 9.3 9 9 A A E -d 113 0B 13 103,-0.3 2,-0.3 196,-0.2 105,-0.2 -0.971 50.1-158.9-151.4 166.6 138.3 -113.2 7.5 10 10 A E E -d 114 0B 56 103,-2.3 105,-2.1 -2,-0.3 2,-0.4 -0.949 11.2-152.1-150.9 125.0 141.7 -111.6 7.8 11 11 A L E +d 115 0B 47 -2,-0.3 2,-0.3 103,-0.2 105,-0.2 -0.816 20.5 179.7 -97.6 137.3 143.6 -109.8 5.1 12 12 A V E -d 116 0B 7 103,-2.1 105,-0.9 -2,-0.4 3,-0.1 -0.998 24.3-131.0-142.3 136.7 147.4 -109.8 5.4 13 13 A K > - 0 0 124 -2,-0.3 3,-3.2 103,-0.2 73,-0.3 -0.663 47.4 -86.5 -85.3 139.9 150.2 -108.3 3.3 14 14 A P T 3 S+ 0 0 73 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.162 119.7 19.0 -45.6 128.2 153.1 -110.7 2.4 15 15 A G T 3 S+ 0 0 46 71,-2.5 70,-0.5 1,-0.3 72,-0.1 0.008 104.7 106.3 97.5 -28.6 155.6 -110.5 5.3 16 16 A A < - 0 0 43 -3,-3.2 70,-1.6 69,-0.2 69,-0.6 0.102 62.9-132.8 -68.6-170.7 153.0 -109.0 7.7 17 17 A S - 0 0 61 67,-0.2 67,-0.2 68,-0.2 2,-0.2 -0.796 13.5-164.3-159.1 113.7 151.5 -111.1 10.5 18 18 A V - 0 0 15 -2,-0.3 65,-1.9 65,-0.1 2,-0.5 -0.537 14.3-141.1 -91.4 157.6 147.9 -111.5 11.7 19 19 A K E - B 0 82A 103 63,-0.2 63,-0.3 -2,-0.2 2,-0.1 -0.933 19.1-151.7-124.0 105.7 146.7 -112.9 15.0 20 20 A L E - B 0 81A 0 61,-2.4 61,-2.5 -2,-0.5 2,-0.3 -0.422 8.6-150.4 -77.3 150.6 143.6 -115.2 14.8 21 21 A S E - B 0 80A 36 59,-0.2 2,-0.2 -2,-0.1 59,-0.2 -0.770 17.0-177.7-119.8 165.2 141.2 -115.6 17.6 22 22 A a E - B 0 79A 3 57,-1.0 57,-3.0 -2,-0.3 2,-0.5 -0.752 10.8-166.6-162.1 103.8 138.8 -118.3 18.8 23 23 A K E -AB 5 78A 95 -18,-1.8 -18,-2.4 55,-0.3 55,-0.2 -0.869 10.4-152.9-103.7 133.7 136.6 -117.7 21.8 24 24 A A E +A 4 0A 19 53,-2.6 2,-0.3 -2,-0.5 -20,-0.2 -0.632 15.0 176.6-103.7 161.3 134.9 -120.6 23.5 25 25 A S + 0 0 49 -22,-1.2 2,-0.3 -2,-0.2 52,-0.0 -0.969 44.5 53.2-159.2 148.0 131.7 -121.0 25.5 26 26 A G S S- 0 0 41 -2,-0.3 2,-0.5 2,-0.1 -2,-0.0 -0.871 105.8 -3.0 119.1-156.0 129.8 -123.9 27.1 27 27 A Y - 0 0 189 -2,-0.3 2,-0.5 1,-0.0 -2,-0.1 -0.570 67.9-171.5 -72.9 120.7 131.4 -126.4 29.4 28 28 A T - 0 0 79 -2,-0.5 2,-0.2 -4,-0.1 -2,-0.1 -0.953 5.9-171.1-118.4 116.4 135.1 -125.6 29.8 29 29 A F > - 0 0 115 -2,-0.5 3,-1.3 1,-0.1 25,-0.3 -0.560 37.6-116.5-104.1 167.8 137.3 -128.1 31.7 30 30 A T T 3 S+ 0 0 90 1,-0.3 24,-0.1 -2,-0.2 -1,-0.1 0.647 115.4 59.4 -73.0 -15.2 140.9 -128.2 32.9 31 31 A S T 3 S+ 0 0 29 69,-0.1 -1,-0.3 23,-0.1 2,-0.2 0.276 81.0 126.6 -96.2 9.2 141.5 -131.1 30.5 32 32 A D < - 0 0 10 -3,-1.3 2,-0.4 68,-0.1 22,-0.3 -0.481 37.9-170.5 -77.3 137.5 140.6 -129.0 27.4 33 33 A W E -E 99 0B 0 66,-2.6 66,-3.2 -2,-0.2 2,-0.5 -0.990 9.7-153.2-124.5 130.4 142.9 -128.7 24.4 34 34 A I E -EF 98 51B 10 17,-2.6 17,-1.6 -2,-0.4 2,-0.2 -0.918 17.6-165.6-104.5 128.3 142.2 -126.2 21.7 35 35 A H E -EF 97 50B 0 62,-2.4 62,-1.7 -2,-0.5 2,-0.4 -0.700 11.9-143.8-109.3 163.9 143.7 -127.2 18.3 36 36 A W E -EF 96 49B 0 13,-1.8 12,-3.1 -2,-0.2 13,-1.0 -0.994 14.9-171.3-131.2 125.1 144.2 -125.3 15.1 37 37 A V E -EF 95 47B 0 58,-2.4 58,-3.2 -2,-0.4 2,-0.5 -0.950 10.4-148.4-120.2 139.5 143.8 -126.8 11.7 38 38 A K E -EF 94 46B 22 8,-3.0 8,-1.8 -2,-0.4 2,-0.5 -0.910 10.7-172.3-110.0 128.6 144.7 -125.3 8.4 39 39 A Q E -EF 93 45B 18 54,-2.8 54,-2.7 -2,-0.5 6,-0.2 -0.925 9.4-155.9-126.5 108.3 142.8 -126.0 5.2 40 40 A R > - 0 0 94 4,-0.6 3,-2.1 -2,-0.5 52,-0.2 -0.560 46.6 -80.9 -76.2 142.8 144.1 -124.7 1.9 41 41 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.106 114.7 2.5 -46.4 133.8 141.4 -124.3 -0.8 42 42 A G T 3 S+ 0 0 84 1,-0.2 2,-0.0 -3,-0.1 -2,-0.0 0.159 117.1 93.3 74.9 -22.3 140.6 -127.6 -2.4 43 43 A H S < S- 0 0 122 -3,-2.1 -1,-0.2 1,-0.2 2,-0.1 -0.156 75.3 -93.0 -92.0-169.4 143.0 -129.5 -0.2 44 44 A G - 0 0 24 1,-0.1 -4,-0.6 -3,-0.1 2,-0.4 -0.144 47.4 -67.8 -95.5-167.9 142.6 -131.4 3.1 45 45 A L E -F 39 0B 12 274,-0.4 2,-0.5 -6,-0.2 273,-0.2 -0.665 41.6-166.6 -85.9 131.6 142.9 -130.7 6.8 46 46 A E E -F 38 0B 70 -8,-1.8 -8,-3.0 -2,-0.4 2,-0.3 -0.965 19.2-131.4-124.0 116.4 146.4 -130.0 8.2 47 47 A W E +F 37 0B 10 -2,-0.5 -10,-0.2 -10,-0.2 3,-0.1 -0.493 27.0 176.6 -66.8 125.1 147.0 -130.0 12.0 48 48 A I E - 0 0 14 -12,-3.1 13,-2.7 1,-0.3 2,-0.3 0.882 49.8 -54.4 -95.9 -53.0 149.0 -126.9 13.0 49 49 A G E -FG 36 60B 0 -13,-1.0 -13,-1.8 11,-0.3 -1,-0.3 -0.987 42.2-126.2-176.0 178.1 149.3 -127.0 16.8 50 50 A E E -FG 35 59B 0 9,-2.7 9,-1.6 -2,-0.3 2,-0.3 -0.939 10.9-165.1-142.2 162.1 147.6 -127.3 20.2 51 51 A I E -FG 34 58B 0 -17,-1.6 -17,-2.6 -2,-0.3 7,-0.2 -0.995 16.3-145.6-150.3 144.5 147.3 -125.6 23.5 52 52 A I E >>> - G 0 57B 0 5,-2.3 4,-3.6 -2,-0.3 3,-2.1 -0.857 14.1-164.7-112.3 94.2 146.0 -126.4 27.0 53 53 A P T 345S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 21,-0.2 0.865 83.5 62.7 -41.9 -55.4 144.6 -123.2 28.4 54 54 A S T 345S+ 0 0 41 -22,-0.3 -24,-0.1 -25,-0.3 -23,-0.1 0.654 125.4 17.8 -50.6 -17.7 144.4 -124.4 32.1 55 55 A Y T <45S- 0 0 146 -3,-2.1 -1,-0.2 2,-0.1 -25,-0.0 0.593 97.3-128.9-126.7 -29.1 148.2 -124.7 31.9 56 56 A G T <5 + 0 0 45 -4,-3.6 2,-0.2 1,-0.3 16,-0.1 0.417 56.2 138.0 93.0 -2.8 149.3 -122.6 29.0 57 57 A R E < -G 52 0B 100 -5,-0.5 -5,-2.3 14,-0.1 2,-0.3 -0.486 29.7-169.7 -79.6 149.6 151.6 -125.1 27.1 58 58 A A E -G 51 0B 24 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.991 8.8-164.2-139.8 146.0 151.5 -125.5 23.4 59 59 A N E -G 50 0B 11 -9,-1.6 -9,-2.7 -2,-0.3 2,-0.3 -0.938 12.5-153.5-127.9 150.0 152.9 -128.0 20.9 60 60 A Y E -G 49 0B 40 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.3 -0.852 27.4 -93.6-127.3 161.7 153.3 -127.6 17.1 61 61 A N > - 0 0 20 -13,-2.7 3,-0.6 -2,-0.3 -12,-0.0 -0.590 30.5-165.5 -73.1 120.8 153.4 -129.7 14.0 62 62 A E T 3 S+ 0 0 128 -2,-0.5 -1,-0.2 1,-0.2 4,-0.1 0.719 77.6 74.2 -80.9 -23.9 157.1 -130.4 13.2 63 63 A K T 3 S+ 0 0 160 2,-0.1 2,-0.2 3,-0.0 -1,-0.2 0.682 100.5 51.2 -64.1 -15.9 156.6 -131.7 9.6 64 64 A I S < S- 0 0 53 -3,-0.6 2,-0.3 -16,-0.1 -4,-0.0 -0.777 99.9 -82.9-123.0 166.2 156.0 -128.0 8.6 65 65 A Q - 0 0 152 -2,-0.2 2,-0.9 1,-0.1 -4,-0.1 -0.491 49.0-122.7 -65.6 121.3 157.5 -124.5 8.8 66 66 A K + 0 0 116 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 -0.545 52.3 149.2 -72.3 104.9 156.4 -123.1 12.2 67 67 A K + 0 0 56 -2,-0.9 17,-1.7 16,-0.0 2,-0.3 0.300 50.9 80.5-115.3 5.8 154.6 -119.9 11.4 68 68 A A - 0 0 3 15,-0.2 2,-0.4 -20,-0.1 15,-0.2 -0.825 51.3-168.3-118.1 154.6 152.3 -120.0 14.4 69 69 A T - 0 0 66 13,-0.4 13,-2.3 -2,-0.3 2,-0.3 -0.918 18.1-150.5-140.2 108.7 152.5 -119.2 18.1 70 70 A L E +C 81 0A 9 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.614 22.4 162.9 -87.1 139.2 149.6 -120.3 20.3 71 71 A T E -C 80 0A 58 9,-2.2 9,-2.6 -2,-0.3 2,-0.3 -0.910 18.4-152.5-142.9 167.2 148.6 -118.5 23.4 72 72 A A E -C 79 0A 32 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.983 10.4-145.0-150.7 136.6 145.5 -118.5 25.6 73 73 A D E >> -C 78 0A 70 5,-2.5 5,-1.3 -2,-0.3 4,-1.0 -0.891 13.1-159.1-104.2 107.5 143.8 -116.0 27.9 74 74 A K T >45S+ 0 0 120 -2,-0.8 3,-1.1 1,-0.2 -1,-0.2 0.937 85.2 45.6 -47.4 -65.2 142.3 -117.8 30.9 75 75 A S T 345S+ 0 0 110 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.888 116.8 42.4 -48.6 -54.0 139.7 -115.2 32.0 76 76 A S T 345S- 0 0 55 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.521 100.1-131.0 -75.8 -7.0 138.2 -114.4 28.5 77 77 A S T <<5 + 0 0 51 -3,-1.1 -53,-2.6 -4,-1.0 2,-0.4 0.913 60.4 138.3 55.9 44.6 138.2 -118.0 27.4 78 78 A T E < -BC 23 73A 16 -5,-1.3 -5,-2.5 -55,-0.2 2,-0.4 -0.983 41.7-156.6-126.8 127.6 139.9 -117.1 24.2 79 79 A A E -BC 22 72A 6 -57,-3.0 -57,-1.0 -2,-0.4 2,-0.3 -0.813 16.3-157.7 -99.0 141.2 142.7 -119.0 22.4 80 80 A F E -BC 21 71A 46 -9,-2.6 -9,-2.2 -2,-0.4 2,-0.5 -0.921 12.1-160.0-123.8 147.8 144.9 -117.0 20.0 81 81 A M E -BC 20 70A 0 -61,-2.5 -61,-2.4 -2,-0.3 2,-0.9 -0.962 7.9-157.2-128.4 116.0 147.1 -118.0 17.1 82 82 A Q E -B 19 0A 47 -13,-2.3 2,-0.5 -2,-0.5 -13,-0.4 -0.798 9.9-173.3 -95.8 102.3 149.9 -115.6 15.9 83 83 A L - 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