==== 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 07-OCT-01 1K4D . COMPND 2 MOLECULE: ANTIBODY FAB FRAGMENT HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.ZHOU,J.H.MORAIS-CABRAL,A.KAUFMAN,R.MACKINNON . 534 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 67.4 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 . 170 31.8 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 . 2 0.4 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 . 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 1 1 0 0 0 0 0 0 0 1 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 . 3 6 5 2 4 7 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 0 5 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 0 182 0, 0.0 2,-0.6 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 163.2 124.6 121.4 -21.1 2 2 A V - 0 0 93 1,-0.2 3,-0.1 22,-0.0 107,-0.1 -0.488 360.0-163.7 -65.6 110.2 127.8 121.0 -19.0 3 3 A Q S S+ 0 0 63 -2,-0.6 22,-2.3 1,-0.2 2,-0.4 0.822 74.2 33.9 -66.9 -33.5 130.6 122.5 -21.1 4 4 A L E -A 24 0A 4 104,-0.3 2,-0.5 20,-0.2 106,-0.4 -0.982 68.6-164.5-130.1 126.2 133.5 120.9 -19.2 5 5 A Q E +A 23 0A 113 18,-3.1 18,-2.2 -2,-0.4 104,-0.1 -0.923 10.6 174.9-115.9 119.6 133.4 117.5 -17.5 6 6 A Q - 0 0 25 -2,-0.5 16,-0.1 16,-0.2 104,-0.1 -0.908 36.8-104.9-120.8 147.8 135.9 116.4 -14.9 7 7 A P - 0 0 44 0, 0.0 106,-0.1 0, 0.0 3,-0.1 -0.385 31.7-125.3 -65.3 146.1 136.1 113.3 -12.7 8 8 A G S S+ 0 0 33 104,-0.2 105,-2.2 1,-0.1 2,-0.3 0.804 76.7 0.8 -66.6 -31.8 135.1 113.9 -9.1 9 9 A A E -d 113 0B 11 103,-0.2 2,-0.3 196,-0.2 105,-0.2 -0.994 45.6-165.1-158.5 162.7 138.2 112.5 -7.4 10 10 A E E -d 114 0B 63 103,-2.0 105,-2.2 -2,-0.3 2,-0.5 -0.946 12.9-153.5-151.2 124.9 141.6 110.9 -7.6 11 11 A L E -d 115 0B 46 -2,-0.3 2,-0.4 103,-0.2 105,-0.2 -0.881 20.3-175.9-101.4 132.3 143.5 109.2 -4.8 12 12 A V E -d 116 0B 7 103,-2.9 105,-1.8 -2,-0.5 6,-0.1 -0.993 23.0-127.6-134.1 137.6 147.3 109.3 -5.2 13 13 A K > - 0 0 124 -2,-0.4 3,-2.6 103,-0.2 73,-0.3 -0.570 45.1 -90.7 -80.6 142.9 150.1 107.7 -3.2 14 14 A P T 3 S+ 0 0 77 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.311 117.9 20.4 -54.5 127.5 152.9 110.1 -2.2 15 15 A G T 3 S+ 0 0 52 71,-2.8 70,-0.5 1,-0.4 72,-0.1 0.007 105.7 103.9 101.8 -28.0 155.5 109.9 -4.9 16 16 A A < - 0 0 42 -3,-2.6 70,-2.1 70,-0.2 -1,-0.4 -0.059 61.6-131.7 -77.0-177.4 153.1 108.6 -7.5 17 17 A S - 0 0 63 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.961 13.2-162.0-138.7 156.0 151.5 110.5 -10.4 18 18 A V E - B 0 83A 14 65,-2.0 65,-3.0 -2,-0.3 2,-0.6 -0.975 14.8-138.0-139.4 152.6 148.0 110.9 -11.8 19 19 A K E - B 0 82A 103 -2,-0.3 63,-0.2 63,-0.2 2,-0.2 -0.917 20.2-157.2-115.1 106.9 146.5 112.1 -15.1 20 20 A L E - B 0 81A 2 61,-2.6 61,-2.2 -2,-0.6 2,-0.3 -0.553 9.6-150.7 -83.3 147.9 143.4 114.4 -14.7 21 21 A S E - B 0 80A 35 59,-0.2 2,-0.3 -2,-0.2 59,-0.2 -0.824 14.8-169.9-119.5 159.5 141.0 114.7 -17.6 22 22 A a E - B 0 79A 1 57,-1.5 57,-2.5 -2,-0.3 2,-0.5 -0.790 8.8-163.1-150.2 98.6 138.7 117.4 -18.9 23 23 A K E -AB 5 78A 31 -18,-2.2 -18,-3.1 -2,-0.3 2,-0.3 -0.740 14.0-156.8 -88.5 126.0 136.1 116.6 -21.6 24 24 A A E +A 4 0A 18 53,-2.1 2,-0.3 -2,-0.5 -20,-0.2 -0.735 16.5 171.5-106.4 152.4 134.7 119.6 -23.3 25 25 A S + 0 0 39 -22,-2.3 2,-0.1 -2,-0.3 52,-0.0 -0.823 41.7 58.0-142.4 178.6 131.4 120.1 -25.2 26 26 A G S S- 0 0 41 -2,-0.3 -2,-0.0 2,-0.1 -24,-0.0 -0.475 101.3 -5.3 88.4-166.7 129.6 123.1 -26.6 27 27 A Y - 0 0 177 -2,-0.1 2,-0.4 1,-0.0 -2,-0.1 -0.315 65.1-162.7 -63.6 143.0 131.2 125.5 -29.2 28 28 A T - 0 0 95 -4,-0.0 2,-0.3 4,-0.0 -2,-0.1 -0.996 8.8-179.6-130.8 131.5 134.8 124.9 -30.1 29 29 A F > - 0 0 105 -2,-0.4 3,-2.6 1,-0.1 25,-0.2 -0.963 39.5-122.4-130.4 147.7 137.2 127.4 -31.8 30 30 A T T 3 S+ 0 0 97 -2,-0.3 24,-0.3 1,-0.3 -1,-0.1 0.735 114.1 64.4 -58.7 -20.2 140.8 127.0 -32.8 31 31 A S T 3 S+ 0 0 28 69,-0.1 -1,-0.3 22,-0.1 2,-0.2 0.369 78.5 118.5 -85.0 5.1 141.3 130.1 -30.6 32 32 A D < - 0 0 10 -3,-2.6 22,-0.4 68,-0.1 2,-0.4 -0.514 44.8-164.3 -78.0 139.9 140.3 128.2 -27.4 33 33 A W E -E 99 0B 0 66,-3.0 66,-2.8 -2,-0.2 2,-0.5 -0.966 9.2-147.6-120.6 138.1 142.6 127.8 -24.5 34 34 A I E -EF 98 51B 11 17,-3.0 17,-1.5 -2,-0.4 2,-0.3 -0.932 19.7-167.9-106.4 123.5 142.1 125.3 -21.7 35 35 A H E -EF 97 50B 0 62,-2.8 62,-2.4 -2,-0.5 2,-0.4 -0.723 11.9-148.6-108.4 158.4 143.4 126.4 -18.3 36 36 A W E -EF 96 49B 0 13,-1.8 12,-2.8 -2,-0.3 13,-1.1 -0.998 12.9-169.0-129.1 131.2 144.0 124.5 -15.1 37 37 A V E -EF 95 47B 0 58,-2.8 58,-3.0 -2,-0.4 2,-0.4 -0.975 10.0-146.1-124.8 135.8 143.6 126.2 -11.7 38 38 A K E -EF 94 46B 27 8,-3.1 8,-1.8 -2,-0.4 2,-0.4 -0.854 13.8-177.1-104.4 131.2 144.6 124.8 -8.3 39 39 A Q E -E 93 0B 22 54,-2.8 54,-2.4 -2,-0.4 6,-0.1 -0.910 10.4-157.8-132.2 107.9 142.7 125.5 -5.1 40 40 A R > - 0 0 105 4,-0.5 3,-2.3 -2,-0.4 52,-0.2 -0.557 47.0 -79.7 -78.1 147.2 144.0 124.1 -1.8 41 41 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.165 117.4 5.2 -49.2 130.0 141.3 123.8 0.9 42 42 A G T 3 S+ 0 0 87 1,-0.2 2,-0.1 -3,-0.1 -2,-0.0 0.157 115.5 97.8 81.1 -20.7 140.7 127.2 2.5 43 43 A H S < S- 0 0 132 -3,-2.3 -1,-0.2 1,-0.2 277,-0.0 -0.258 71.9 -97.1 -94.9-177.5 143.0 129.0 0.1 44 44 A G - 0 0 28 1,-0.1 -4,-0.5 -3,-0.1 2,-0.4 0.017 47.8 -69.9 -86.4-165.7 142.6 130.9 -3.1 45 45 A L - 0 0 14 274,-0.4 2,-0.5 -6,-0.1 273,-0.2 -0.735 41.7-166.8 -91.8 133.9 142.8 130.2 -6.9 46 46 A E E -F 38 0B 67 -8,-1.8 -8,-3.1 -2,-0.4 2,-0.2 -0.967 18.8-132.6-126.3 115.6 146.3 129.5 -8.3 47 47 A W E +F 37 0B 7 -2,-0.5 -10,-0.2 -10,-0.2 3,-0.1 -0.482 25.1 178.9 -66.3 129.5 146.8 129.5 -12.1 48 48 A I E - 0 0 14 -12,-2.8 13,-2.8 1,-0.4 2,-0.3 0.854 49.8 -60.1 -99.5 -48.3 148.8 126.4 -13.1 49 49 A G E -FG 36 60B 0 -13,-1.1 -13,-1.8 11,-0.3 -1,-0.4 -0.977 41.6-125.8 178.4-179.4 149.1 126.5 -16.8 50 50 A E E -FG 35 59B 0 9,-2.6 9,-1.9 -2,-0.3 2,-0.3 -0.935 11.1-163.3-144.9 164.7 147.3 126.6 -20.1 51 51 A I E -FG 34 58B 1 -17,-1.5 -17,-3.0 -2,-0.3 7,-0.2 -0.989 16.5-142.8-152.1 145.5 147.2 124.8 -23.4 52 52 A I E >>> - G 0 57B 0 5,-2.1 4,-3.2 -2,-0.3 3,-2.0 -0.908 13.4-162.8-111.6 100.4 145.8 125.6 -26.9 53 53 A P T 345S+ 0 0 45 0, 0.0 21,-0.2 0, 0.0 -1,-0.2 0.856 84.6 66.5 -49.8 -42.6 144.4 122.3 -28.3 54 54 A S T 345S+ 0 0 53 -22,-0.4 -24,-0.1 -24,-0.3 -21,-0.1 0.502 123.9 15.8 -62.6 -1.4 144.3 123.5 -31.9 55 55 A Y T <45S- 0 0 147 -3,-2.0 -1,-0.2 2,-0.1 3,-0.1 0.442 96.4-128.7-142.4 -22.9 148.1 123.6 -31.7 56 56 A G T <5 + 0 0 47 -4,-3.2 2,-0.3 1,-0.3 -2,-0.1 0.588 57.4 141.4 80.0 10.0 149.1 121.5 -28.7 57 57 A R E < -G 52 0B 84 -5,-0.7 -5,-2.1 14,-0.0 2,-0.3 -0.646 30.2-165.8 -87.7 145.0 151.3 124.2 -27.2 58 58 A A E -G 51 0B 25 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.965 11.6-164.6-133.7 148.3 151.3 124.7 -23.4 59 59 A N E -G 50 0B 11 -9,-1.9 -9,-2.6 -2,-0.3 2,-0.3 -0.946 13.3-154.9-127.4 148.6 152.6 127.4 -21.0 60 60 A Y E -G 49 0B 47 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.3 -0.876 29.5 -94.6-128.0 158.6 153.0 127.0 -17.2 61 61 A N > - 0 0 26 -13,-2.8 3,-0.6 -2,-0.3 -15,-0.0 -0.553 33.5-162.2 -66.8 121.4 153.1 129.2 -14.1 62 62 A E T 3 S+ 0 0 131 -2,-0.4 -1,-0.2 1,-0.2 4,-0.1 0.740 79.2 69.6 -80.2 -24.2 156.9 129.9 -13.6 63 63 A K T 3 S+ 0 0 83 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.599 98.2 57.0 -71.3 -10.5 156.6 131.0 -9.9 64 64 A I S < S- 0 0 52 -3,-0.6 -4,-0.0 -16,-0.1 0, 0.0 -0.871 97.8 -87.3-124.1 156.7 155.7 127.5 -8.8 65 65 A Q - 0 0 78 -2,-0.3 2,-1.2 1,-0.1 3,-0.2 -0.310 48.9-113.6 -57.0 136.1 157.4 124.0 -9.0 66 66 A K + 0 0 122 1,-0.2 -1,-0.1 -4,-0.1 -4,-0.0 -0.614 56.5 147.4 -82.1 97.7 156.4 122.3 -12.2 67 67 A K + 0 0 61 -2,-1.2 17,-1.8 16,-0.1 2,-0.2 0.645 55.1 73.5 -97.9 -22.1 154.3 119.3 -11.2 68 68 A A E -C 83 0A 3 -3,-0.2 2,-0.3 15,-0.2 15,-0.2 -0.573 50.4-172.4-101.5 160.0 152.0 119.4 -14.3 69 69 A T E -C 82 0A 62 13,-0.6 13,-3.2 -2,-0.2 2,-0.3 -0.943 20.2-148.7-146.2 119.4 152.3 118.6 -18.0 70 70 A L E +C 81 0A 9 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.738 24.8 154.9-101.4 143.1 149.4 119.5 -20.3 71 71 A T E -C 80 0A 58 9,-2.0 9,-3.1 -2,-0.3 2,-0.3 -0.919 19.3-153.9-149.2 170.2 148.3 117.7 -23.4 72 72 A A E -C 79 0A 36 -2,-0.3 2,-0.7 7,-0.3 7,-0.2 -0.982 14.4-140.1-156.7 142.0 145.0 117.4 -25.4 73 73 A D E > -C 78 0A 64 5,-3.0 5,-1.8 -2,-0.3 4,-0.3 -0.903 13.4-163.3-104.2 109.9 143.3 115.0 -27.7 74 74 A K T 5S+ 0 0 82 -2,-0.7 -1,-0.1 3,-0.2 3,-0.1 0.809 84.7 53.1 -62.2 -34.0 141.5 117.0 -30.5 75 75 A S T 5S+ 0 0 110 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.964 119.7 30.9 -69.6 -52.0 139.3 114.1 -31.6 76 76 A S T 5S- 0 0 59 2,-0.1 -1,-0.2 -53,-0.0 -52,-0.2 0.357 105.6-134.4 -85.1 6.7 137.7 113.3 -28.2 77 77 A S T 5 + 0 0 51 -4,-0.3 -53,-2.1 1,-0.2 2,-0.4 0.869 54.4 146.2 38.1 53.5 138.2 117.0 -27.5 78 78 A T E < -BC 23 73A 22 -5,-1.8 -5,-3.0 -55,-0.2 2,-0.4 -0.947 39.4-149.7-121.0 138.3 139.6 116.1 -24.1 79 79 A A E -BC 22 72A 5 -57,-2.5 -57,-1.5 -2,-0.4 2,-0.4 -0.835 14.0-160.0-105.5 143.4 142.4 118.0 -22.2 80 80 A F E -BC 21 71A 51 -9,-3.1 -9,-2.0 -2,-0.4 2,-0.5 -0.950 12.2-162.4-127.3 145.1 144.8 116.2 -19.8 81 81 A M E -BC 20 70A 0 -61,-2.2 -61,-2.6 -2,-0.4 2,-0.7 -0.962 11.9-154.8-126.0 113.7 147.0 117.4 -17.0 82 82 A Q E -BC 19 69A 48 -13,-3.2 -13,-0.6 -2,-0.5 2,-0.5 -0.792 11.4-171.3 -90.0 112.3 149.7 115.0 -15.9 83 83 A L E -BC 18 68A 3 -65,-3.0 -65,-2.0 -2,-0.7 2,-0.3 -0.901 10.9-171.7-102.9 132.5 150.7 115.6 -12.3 84 84 A S + 0 0 48 -17,-1.8 -67,-0.2 -2,-0.5 -68,-0.1 -0.945 52.3 10.5-132.0 151.9 153.8 113.7 -11.1 85 85 A S S S- 0 0 71 -70,-0.5 -68,-0.2 -2,-0.3 -1,-0.2 0.937 80.2-168.3 53.0 55.2 155.7 112.9 -7.9 86 86 A L - 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