==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 19-OCT-06 2ITD . COMPND 2 MOLECULE: ANTIBODY FAB FRAGMENT HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.W.LOCKLESS,M.ZHOU,R.MACKINNON . 534 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25148.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 67.2 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 . 164 30.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 53 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 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 . 4 6 5 2 4 6 2 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 1 4 1 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 0 179 0, 0.0 24,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 166.0 47.4 44.3 -13.7 2 2 A V - 0 0 94 1,-0.2 3,-0.1 22,-0.1 24,-0.1 -0.194 360.0-165.0 -46.9 114.2 50.6 43.8 -11.6 3 3 A Q S S+ 0 0 64 1,-0.2 22,-1.4 105,-0.2 2,-0.4 0.821 72.3 38.1 -75.9 -34.6 53.4 45.1 -13.8 4 4 A L E -A 24 0A 2 104,-0.4 2,-0.6 20,-0.2 106,-0.5 -0.984 69.5-164.3-122.6 125.5 56.3 43.6 -11.9 5 5 A Q E +A 23 0A 105 18,-2.4 18,-1.9 -2,-0.4 104,-0.1 -0.917 12.3 175.4-115.7 112.0 56.1 40.1 -10.3 6 6 A Q - 0 0 24 -2,-0.6 2,-0.2 16,-0.2 16,-0.1 -0.823 38.0-100.8-115.2 152.8 58.7 39.1 -7.7 7 7 A P - 0 0 40 0, 0.0 106,-0.1 0, 0.0 3,-0.1 -0.493 30.5-132.0 -67.7 132.8 59.0 36.0 -5.6 8 8 A G S S+ 0 0 32 -2,-0.2 105,-2.5 104,-0.2 2,-0.3 0.819 77.8 7.8 -57.1 -32.3 57.8 36.7 -2.1 9 9 A A E -d 113 0B 10 103,-0.2 2,-0.3 196,-0.2 105,-0.2 -0.995 47.3-169.9-155.5 158.5 60.8 35.2 -0.4 10 10 A E E -d 114 0B 61 103,-2.3 105,-2.2 -2,-0.3 2,-0.4 -0.919 13.2-155.1-149.9 118.8 64.3 33.6 -0.6 11 11 A L E -d 115 0B 47 -2,-0.3 2,-0.3 103,-0.2 105,-0.2 -0.765 20.9-179.2 -92.8 138.5 66.2 31.9 2.2 12 12 A V E -d 116 0B 8 103,-2.7 105,-2.7 -2,-0.4 3,-0.0 -0.996 22.7-131.8-141.7 145.2 70.0 32.0 1.8 13 13 A K > - 0 0 121 -2,-0.3 3,-2.6 103,-0.2 73,-0.3 -0.732 44.1 -88.6 -95.6 143.9 72.8 30.6 3.9 14 14 A P T 3 S+ 0 0 77 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.239 118.4 20.3 -51.6 132.8 75.8 32.8 4.7 15 15 A G T 3 S+ 0 0 49 71,-2.1 70,-0.5 1,-0.3 72,-0.1 -0.014 105.4 108.7 95.6 -29.3 78.4 32.5 1.9 16 16 A A < - 0 0 41 -3,-2.6 70,-2.0 69,-0.2 2,-0.3 -0.027 60.4-136.1 -71.4 179.4 75.7 31.3 -0.5 17 17 A S - 0 0 60 67,-0.2 2,-0.2 68,-0.2 67,-0.2 -0.985 12.9-165.5-145.7 131.0 74.2 33.2 -3.4 18 18 A V E - B 0 83A 15 65,-1.0 65,-2.4 -2,-0.3 2,-0.5 -0.721 13.6-141.8-111.3 163.1 70.6 33.6 -4.6 19 19 A K E - B 0 82A 117 -2,-0.2 63,-0.2 63,-0.2 2,-0.1 -0.903 18.5-159.4-129.6 102.1 69.3 34.9 -7.9 20 20 A L E - B 0 81A 1 61,-2.2 61,-2.1 -2,-0.5 2,-0.3 -0.416 7.2-153.1 -79.6 157.3 66.1 37.0 -7.6 21 21 A S E - B 0 80A 21 59,-0.2 2,-0.3 -2,-0.1 59,-0.2 -0.848 14.0-166.9-128.9 165.2 63.8 37.6 -10.5 22 22 A a E - B 0 79A 2 57,-1.4 57,-2.7 -2,-0.3 2,-0.5 -0.831 10.3-160.8-156.3 105.9 61.3 40.3 -11.6 23 23 A K E -AB 5 78A 95 -18,-1.9 -18,-2.4 -2,-0.3 55,-0.2 -0.834 13.2-152.8 -97.0 124.7 58.8 39.5 -14.5 24 24 A A E +A 4 0A 21 53,-2.1 -20,-0.2 -2,-0.5 2,-0.2 -0.550 16.7 174.0 -97.9 161.2 57.2 42.5 -16.2 25 25 A S + 0 0 38 -22,-1.4 -22,-0.1 -2,-0.2 2,-0.0 -0.708 45.6 56.1-143.7-169.5 53.9 43.0 -18.0 26 26 A G S S- 0 0 41 -2,-0.2 2,-0.2 -24,-0.1 -2,-0.0 -0.369 105.5 -6.6 71.5-158.4 52.1 46.0 -19.5 27 27 A Y - 0 0 177 1,-0.0 2,-0.4 -2,-0.0 -2,-0.1 -0.461 60.8-161.6 -73.9 141.7 54.0 48.1 -22.1 28 28 A T - 0 0 87 -2,-0.2 2,-0.2 -4,-0.1 -2,-0.1 -0.805 10.0-176.9-129.8 93.0 57.6 47.4 -22.8 29 29 A F > - 0 0 118 -2,-0.4 3,-1.7 1,-0.1 25,-0.2 -0.516 37.4-120.9 -86.2 154.0 59.6 50.2 -24.5 30 30 A T T 3 S+ 0 0 86 1,-0.3 24,-0.3 -2,-0.2 -1,-0.1 0.689 112.4 64.8 -65.2 -18.2 63.3 49.8 -25.6 31 31 A S T 3 S+ 0 0 29 23,-0.1 -1,-0.3 69,-0.1 2,-0.2 0.208 76.3 124.6 -90.2 13.5 63.9 52.8 -23.3 32 32 A D < - 0 0 11 -3,-1.7 2,-0.4 68,-0.1 22,-0.4 -0.560 41.3-165.5 -80.4 139.7 63.0 50.9 -20.2 33 33 A W E -E 99 0B 0 66,-2.9 66,-2.8 -2,-0.2 2,-0.5 -0.979 9.4-149.0-120.3 133.3 65.4 50.6 -17.3 34 34 A I E -EF 98 51B 12 17,-2.8 17,-1.6 -2,-0.4 2,-0.3 -0.914 18.3-163.6-103.8 131.9 64.8 48.1 -14.5 35 35 A H E -EF 97 50B 0 62,-2.9 62,-2.1 -2,-0.5 2,-0.4 -0.803 11.9-148.0-114.2 156.2 66.1 49.2 -11.1 36 36 A W E -EF 96 49B 0 13,-1.9 12,-3.0 -2,-0.3 13,-1.0 -0.991 14.2-171.0-126.4 126.3 66.7 47.3 -7.8 37 37 A V E -EF 95 47B 0 58,-2.1 58,-2.9 -2,-0.4 2,-0.4 -0.965 10.3-147.8-121.5 133.8 66.2 48.9 -4.5 38 38 A K E -EF 94 46B 19 8,-2.8 8,-1.5 -2,-0.4 2,-0.4 -0.842 13.1-177.3-104.2 130.5 67.3 47.5 -1.1 39 39 A Q E -E 93 0B 22 54,-2.2 54,-2.2 -2,-0.4 6,-0.1 -0.889 10.5-158.0-131.6 104.3 65.4 48.2 2.1 40 40 A R > - 0 0 110 -2,-0.4 3,-2.3 4,-0.4 52,-0.2 -0.484 46.6 -79.6 -74.2 148.8 66.6 46.8 5.4 41 41 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.209 117.2 8.9 -52.6 132.7 63.9 46.5 8.1 42 42 A G T 3 S+ 0 0 84 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.532 116.6 95.7 74.1 6.0 63.2 49.8 9.8 43 43 A H S < S- 0 0 109 -3,-2.3 -1,-0.3 1,-0.2 2,-0.0 -0.509 70.5 -97.0-118.0-172.6 65.3 51.6 7.3 44 44 A G - 0 0 25 -2,-0.2 -4,-0.4 1,-0.1 2,-0.4 -0.117 47.4 -68.0 -95.4-167.3 65.0 53.6 4.0 45 45 A L - 0 0 14 274,-0.4 2,-0.5 -6,-0.1 273,-0.2 -0.681 40.7-169.4 -88.4 133.3 65.4 53.0 0.3 46 46 A E E -F 38 0B 70 -8,-1.5 -8,-2.8 -2,-0.4 2,-0.3 -0.965 19.5-133.9-127.2 115.8 68.9 52.3 -1.1 47 47 A W E +F 37 0B 7 -2,-0.5 -10,-0.2 -10,-0.2 3,-0.1 -0.517 25.1 177.6 -68.8 128.0 69.4 52.2 -4.9 48 48 A I E - 0 0 15 -12,-3.0 13,-3.0 1,-0.4 2,-0.3 0.868 50.4 -58.5 -97.8 -49.5 71.5 49.2 -5.8 49 49 A G E -FG 36 60B 0 -13,-1.0 -13,-1.9 11,-0.3 -1,-0.4 -0.978 42.1-127.8-177.9-176.7 71.8 49.3 -9.6 50 50 A E E -FG 35 59B 1 9,-2.6 9,-1.6 -2,-0.3 2,-0.3 -0.933 9.4-159.4-147.4 167.6 70.0 49.4 -12.9 51 51 A I E -FG 34 58B 2 -17,-1.6 -17,-2.8 -2,-0.3 7,-0.2 -0.989 16.5-141.6-153.8 143.8 69.8 47.7 -16.3 52 52 A I E >>> - G 0 57B 0 5,-2.3 4,-3.9 -2,-0.3 3,-1.2 -0.917 16.5-164.9-105.8 104.2 68.6 48.5 -19.8 53 53 A P T 345S+ 0 0 32 0, 0.0 21,-0.2 0, 0.0 -1,-0.2 0.913 83.5 60.7 -56.1 -46.9 67.1 45.2 -21.1 54 54 A S T 345S+ 0 0 29 -22,-0.4 -24,-0.1 -24,-0.3 -23,-0.1 0.697 125.3 19.4 -56.7 -19.0 67.0 46.3 -24.8 55 55 A Y T <45S- 0 0 143 -3,-1.2 -1,-0.2 2,-0.1 -25,-0.0 0.631 97.2-129.7-122.4 -29.1 70.8 46.7 -24.7 56 56 A G T <5 + 0 0 47 -4,-3.9 2,-0.3 1,-0.3 16,-0.1 0.486 55.8 138.3 91.8 2.8 71.9 44.7 -21.7 57 57 A R E < -G 52 0B 89 -5,-0.5 -5,-2.3 14,-0.1 2,-0.3 -0.632 30.6-167.5 -86.0 142.8 74.1 47.3 -19.9 58 58 A A E -G 51 0B 24 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.965 8.6-162.3-130.7 146.3 74.0 47.6 -16.2 59 59 A N E -G 50 0B 9 -9,-1.6 -9,-2.6 -2,-0.3 2,-0.3 -0.943 12.0-153.9-126.0 147.2 75.3 50.2 -13.7 60 60 A Y E -G 49 0B 45 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.3 -0.870 29.0 -96.0-125.5 157.0 75.8 49.8 -10.0 61 61 A N > - 0 0 27 -13,-3.0 3,-0.8 -2,-0.3 -12,-0.0 -0.562 32.7-165.8 -67.6 114.0 75.8 51.9 -6.8 62 62 A E T 3 S+ 0 0 131 -2,-0.6 -1,-0.2 1,-0.2 4,-0.1 0.716 77.7 73.2 -74.9 -24.1 79.6 52.6 -6.3 63 63 A K T 3 S+ 0 0 158 2,-0.1 -1,-0.2 -3,-0.0 2,-0.2 0.645 100.7 46.0 -67.5 -14.9 79.1 53.9 -2.7 64 64 A I S < S- 0 0 55 -3,-0.8 2,-0.0 -16,-0.1 -4,-0.0 -0.691 99.1 -72.9-124.2 176.9 78.4 50.3 -1.5 65 65 A Q - 0 0 156 -2,-0.2 2,-1.3 1,-0.1 3,-0.2 -0.345 46.8-119.7 -64.0 146.8 79.7 46.7 -1.7 66 66 A K + 0 0 123 1,-0.2 -1,-0.1 -4,-0.1 18,-0.1 -0.571 56.2 143.5 -95.4 78.6 79.0 45.0 -5.0 67 67 A K + 0 0 47 -2,-1.3 17,-2.3 16,-0.1 2,-0.3 0.559 55.7 76.4 -87.3 -8.9 76.9 42.0 -4.0 68 68 A A E -C 83 0A 3 -3,-0.2 2,-0.4 15,-0.2 15,-0.2 -0.738 50.2-174.7-110.6 155.4 74.8 42.2 -7.1 69 69 A T E -C 82 0A 66 13,-0.6 13,-2.7 -2,-0.3 2,-0.3 -0.959 21.9-146.7-142.1 117.5 75.2 41.3 -10.8 70 70 A L E +C 81 0A 10 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.727 24.0 162.0 -98.1 142.5 72.4 42.4 -13.1 71 71 A T E -C 80 0A 64 9,-2.0 9,-2.9 -2,-0.3 2,-0.3 -0.958 16.6-156.0-147.1 157.2 71.2 40.5 -16.2 72 72 A A E -C 79 0A 35 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.971 11.5-146.2-139.9 155.1 68.0 40.5 -18.3 73 73 A D E >>> -C 78 0A 76 5,-2.1 5,-1.5 -2,-0.3 4,-1.0 -0.895 7.3-168.5-125.4 99.4 66.2 38.1 -20.7 74 74 A K T 345S+ 0 0 132 -2,-0.5 3,-0.3 1,-0.2 -1,-0.1 0.816 84.9 59.0 -54.7 -35.9 64.5 39.9 -23.5 75 75 A S T 345S+ 0 0 116 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.895 116.5 29.1 -64.0 -44.0 62.6 36.8 -24.5 76 76 A S T <45S- 0 0 56 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.364 101.6-124.3 -99.3 4.2 60.8 36.2 -21.2 77 77 A S T <5 + 0 0 52 -4,-1.0 -53,-2.1 -3,-0.3 2,-0.5 0.858 64.9 141.3 54.4 38.1 60.7 39.9 -20.2 78 78 A T E < -BC 23 73A 6 -5,-1.5 -5,-2.1 -55,-0.2 2,-0.4 -0.942 40.8-157.5-119.7 131.0 62.4 39.0 -16.9 79 79 A A E -BC 22 72A 6 -57,-2.7 -57,-1.4 -2,-0.5 2,-0.4 -0.830 14.1-161.5-101.4 139.3 65.1 40.9 -15.1 80 80 A F E -BC 21 71A 45 -9,-2.9 -9,-2.0 -2,-0.4 2,-0.5 -0.938 11.6-163.0-125.0 146.3 67.4 39.0 -12.7 81 81 A M E -BC 20 70A 0 -61,-2.1 -61,-2.2 -2,-0.4 2,-0.7 -0.969 11.1-153.3-128.6 115.8 69.7 40.1 -9.9 82 82 A Q E -BC 19 69A 64 -13,-2.7 -13,-0.6 -2,-0.5 2,-0.6 -0.791 7.1-163.8 -91.9 112.0 72.4 37.8 -8.6 83 83 A L E -BC 18 68A 4 -65,-2.4 -65,-1.0 -2,-0.7 2,-0.3 -0.859 14.4-159.6 -96.3 123.6 73.3 38.4 -5.0 84 84 A S - 0 0 54 -17,-2.3 -67,-0.2 -2,-0.6 -68,-0.1 -0.829 54.4 -5.8-112.4 144.8 76.7 36.7 -4.2 85 85 A S S S- 0 0 72 -70,-0.5 -1,-0.2 -2,-0.3 -68,-0.2 0.909 82.8-167.1 43.2 65.7 78.3 35.6 -0.9 86 86 A L - 0 0 2 -70,-2.0 -71,-2.1 -73,-0.3 2,-0.3 -0.090 19.0-178.9 -78.1 173.1 75.7 37.0 1.5 87 87 A T > - 0 0 57 -73,-0.2 3,-1.6 -72,-0.1 4,-0.3 -0.857 53.9 -75.6-153.9-178.2 75.6 37.6 5.3 88 88 A S G > S+ 0 0 88 1,-0.3 3,-1.7 -2,-0.3 28,-0.2 0.806 125.7 67.3 -59.9 -29.3 73.1 39.0 7.7 89 89 A E G 3 S+ 0 0 133 1,-0.3 -1,-0.3 -49,-0.0 -3,-0.0 0.812 96.5 56.1 -60.3 -29.0 73.9 42.5 6.4 90 90 A D G < S+ 0 0 11 -3,-1.6 2,-0.4 -50,-0.0 -1,-0.3 0.529 79.2 113.0 -82.9 -5.8 72.3 41.4 3.1 91 91 A S < + 0 0 27 -3,-1.7 2,-0.3 -4,-0.3 24,-0.2 -0.542 47.1 96.7 -71.8 122.8 68.9 40.5 4.7 92 92 A A E S- H 0 114B 5 22,-1.2 22,-2.6 -2,-0.4 2,-0.6 -0.979 77.9 -68.5 177.8 179.6 66.2 42.8 3.5 93 93 A V E -EH 39 113B 36 -54,-2.2 -54,-2.2 -2,-0.3 2,-0.6 -0.835 43.9-157.3 -94.0 123.3 63.3 43.4 1.1 94 94 A Y E -EH 38 112B 3 18,-2.5 18,-1.9 -2,-0.6 -56,-0.2 -0.916 10.5-167.3-105.7 113.8 64.7 43.8 -2.4 95 95 A Y E -E 37 0B 11 -58,-2.9 -58,-2.1 -2,-0.6 2,-0.4 -0.576 9.8-153.7 -95.4 158.9 62.3 45.7 -4.8 96 96 A a E -E 36 0B 0 -60,-0.2 13,-2.3 -2,-0.2 2,-0.3 -0.957 17.5-175.5-126.1 144.8 62.5 46.0 -8.5 97 97 A A E -EI 35 108B 0 -62,-2.1 -62,-2.9 -2,-0.4 2,-0.5 -0.971 21.6-124.3-141.1 159.0 61.0 49.0 -10.3 98 98 A R E -EI 34 107B 4 9,-2.3 8,-1.1 -2,-0.3 9,-1.0 -0.915 20.6-172.3-110.5 127.8 60.5 50.2 -13.8 99 99 A E E -EI 33 105B 0 -66,-2.8 -66,-2.9 -2,-0.5 6,-0.1 -0.969 20.9-146.2-119.0 129.2 61.8 53.5 -15.0 100 100 A R - 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