==== 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 3OR7 . COMPND 2 MOLECULE: ANTIBODY FAB FRAGMENT HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.CHAKRAPANI,J.F.CORDERO-MORALES,V.JOGINI,A.C.PAN,D.M.CORTES . 534 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24905.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 65.9 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 . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 49 9.2 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 . 80 15.0 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 . 4 5 5 3 4 7 1 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 1 1 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 0 184 0, 0.0 2,-0.6 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 163.3 125.6 122.2 -21.0 2 2 A V - 0 0 91 1,-0.2 3,-0.2 22,-0.0 23,-0.1 -0.549 360.0-159.0 -70.5 114.6 128.8 122.2 -18.9 3 3 A Q S S+ 0 0 66 -2,-0.6 22,-3.1 1,-0.2 2,-0.5 0.873 78.9 34.1 -62.9 -39.4 131.5 123.7 -21.1 4 4 A L E S-A 24 0A 3 104,-0.3 106,-0.6 20,-0.2 2,-0.5 -0.943 70.6-162.7-126.9 115.6 134.4 122.1 -19.1 5 5 A Q E +A 23 0A 117 18,-3.5 18,-2.3 -2,-0.5 104,-0.1 -0.811 11.7 179.5 -98.7 128.7 134.1 118.7 -17.5 6 6 A Q - 0 0 22 -2,-0.5 16,-0.1 16,-0.2 104,-0.1 -0.983 33.2-104.8-129.9 139.8 136.6 117.7 -14.8 7 7 A P - 0 0 41 0, 0.0 106,-0.1 0, 0.0 3,-0.1 -0.283 29.4-127.2 -59.9 143.7 137.0 114.4 -12.8 8 8 A G S S- 0 0 32 104,-0.2 105,-1.7 1,-0.1 2,-0.3 0.851 76.2 -3.8 -63.1 -40.7 135.8 114.7 -9.2 9 9 A A E -d 113 0B 12 103,-0.2 2,-0.3 196,-0.2 105,-0.2 -0.975 46.5-160.8-153.2 166.1 138.9 113.4 -7.4 10 10 A E E -d 114 0B 61 103,-1.7 105,-1.9 -2,-0.3 2,-0.5 -0.852 11.4-156.5-153.5 110.1 142.3 111.9 -7.7 11 11 A L E +d 115 0B 48 -2,-0.3 2,-0.4 103,-0.2 105,-0.2 -0.782 20.0 179.3 -90.2 129.1 144.1 110.1 -4.9 12 12 A V E -d 116 0B 9 103,-2.7 105,-1.3 -2,-0.5 6,-0.1 -0.994 24.2-131.6-137.0 131.0 147.9 110.1 -5.3 13 13 A K > - 0 0 116 -2,-0.4 3,-2.4 103,-0.2 73,-0.3 -0.508 45.2 -87.8 -77.0 145.5 150.7 108.6 -3.1 14 14 A P T 3 S+ 0 0 68 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.310 116.6 22.5 -56.7 123.5 153.6 110.9 -2.2 15 15 A G T 3 S+ 0 0 54 71,-2.2 70,-0.4 1,-0.5 2,-0.1 0.173 104.0 103.0 104.9 -16.4 156.3 110.6 -4.9 16 16 A A < - 0 0 42 -3,-2.4 70,-2.0 70,-0.2 -1,-0.5 -0.399 63.2-128.4 -92.8 172.8 153.9 109.4 -7.6 17 17 A S - 0 0 69 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.852 15.4-163.7-123.0 159.1 152.3 111.3 -10.5 18 18 A V E - B 0 83A 12 65,-2.5 65,-2.8 -2,-0.3 2,-0.5 -0.957 14.1-139.7-139.2 156.3 148.8 111.9 -11.8 19 19 A K E - B 0 82A 92 -2,-0.3 63,-0.2 63,-0.2 2,-0.1 -0.858 19.0-162.1-124.7 98.6 147.3 113.1 -15.0 20 20 A L E - B 0 81A 0 61,-2.0 61,-2.2 -2,-0.5 2,-0.2 -0.402 8.5-155.0 -76.4 152.3 144.2 115.4 -14.7 21 21 A S E - B 0 80A 21 59,-0.2 59,-0.2 -2,-0.1 2,-0.2 -0.711 15.2-162.8-122.8 174.4 141.8 116.0 -17.6 22 22 A a E - B 0 79A 1 57,-0.7 57,-1.7 -2,-0.2 2,-0.4 -0.632 13.0-154.7-161.7 90.0 139.4 118.7 -18.7 23 23 A K E -AB 5 78A 97 -18,-2.3 -18,-3.5 55,-0.2 2,-0.4 -0.583 16.6-154.5 -72.6 125.4 136.8 117.8 -21.4 24 24 A A E +A 4 0A 21 53,-2.6 -20,-0.2 -2,-0.4 2,-0.2 -0.865 18.3 169.1-109.1 137.8 135.7 120.8 -23.3 25 25 A S + 0 0 38 -22,-3.1 2,-0.1 -2,-0.4 -22,-0.0 -0.737 38.0 49.9-131.4 179.4 132.4 121.3 -25.1 26 26 A G S S- 0 0 40 -2,-0.2 -2,-0.0 2,-0.1 -24,-0.0 -0.310 101.8 -6.2 82.9-171.4 130.6 124.3 -26.7 27 27 A Y - 0 0 187 -2,-0.1 2,-0.4 1,-0.0 -2,-0.1 -0.277 68.1-168.4 -58.2 140.1 132.0 126.7 -29.2 28 28 A T - 0 0 69 -4,-0.0 2,-0.3 4,-0.0 -2,-0.1 -0.994 4.8-172.0-134.7 139.6 135.7 126.3 -29.8 29 29 A F > - 0 0 104 -2,-0.4 3,-2.1 1,-0.1 25,-0.3 -0.934 37.3-117.5-133.5 155.8 138.2 128.6 -31.6 30 30 A T T 3 S+ 0 0 79 -2,-0.3 24,-0.2 1,-0.3 25,-0.2 0.669 115.7 57.7 -61.4 -18.3 141.8 128.5 -32.7 31 31 A S T 3 S+ 0 0 28 23,-0.1 -1,-0.3 22,-0.1 2,-0.2 0.340 80.3 122.0 -95.8 6.1 142.5 131.4 -30.3 32 32 A D < - 0 0 11 -3,-2.1 2,-0.4 68,-0.1 22,-0.4 -0.450 43.9-161.4 -72.8 141.2 141.2 129.6 -27.2 33 33 A W E -E 99 0B 0 66,-3.0 66,-3.0 19,-0.2 2,-0.6 -0.987 7.2-149.6-125.0 131.2 143.5 129.2 -24.2 34 34 A I E -EF 98 51B 17 17,-2.8 17,-0.9 -2,-0.4 64,-0.2 -0.887 18.9-166.4-102.9 115.0 143.0 126.6 -21.5 35 35 A H E -EF 97 50B 0 62,-2.1 62,-2.6 -2,-0.6 2,-0.4 -0.629 10.3-146.1 -99.5 157.3 144.4 127.7 -18.1 36 36 A W E -EF 96 49B 0 13,-1.6 12,-2.7 60,-0.2 13,-1.0 -0.984 14.1-167.7-124.1 135.3 145.0 125.7 -14.9 37 37 A V E -EF 95 47B 0 58,-3.2 58,-3.1 -2,-0.4 2,-0.4 -0.986 8.3-152.1-131.2 129.9 144.5 127.1 -11.4 38 38 A K E +EF 94 46B 21 8,-2.4 8,-2.8 -2,-0.4 2,-0.3 -0.777 14.9 176.1 -99.7 141.1 145.5 125.7 -8.1 39 39 A Q E -E 93 0B 21 54,-2.0 54,-2.5 -2,-0.4 6,-0.1 -0.909 14.8-154.7-147.1 113.6 143.7 126.5 -4.9 40 40 A R > - 0 0 88 4,-0.4 3,-2.4 -2,-0.3 52,-0.1 -0.575 47.4 -74.9 -84.3 153.4 144.5 125.0 -1.5 41 41 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.214 118.3 5.2 -51.6 127.7 141.8 124.8 1.1 42 42 A G T 3 S+ 0 0 85 1,-0.2 2,-0.2 -3,-0.1 -2,-0.0 0.456 114.8 96.6 78.2 1.6 141.1 128.2 2.6 43 43 A H S < S- 0 0 125 -3,-2.4 -1,-0.2 1,-0.2 278,-0.0 -0.578 72.8 -87.0-117.1-179.2 143.5 130.1 0.3 44 44 A G - 0 0 27 -2,-0.2 -4,-0.4 1,-0.1 2,-0.4 0.080 48.2 -82.0 -76.2-171.7 143.5 132.1 -2.9 45 45 A L - 0 0 16 274,-0.4 2,-0.5 -6,-0.1 -6,-0.2 -0.785 38.9-160.0 -97.0 137.0 143.7 131.1 -6.6 46 46 A E E -F 38 0B 66 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.4 -0.965 17.4-128.3-121.6 129.2 147.1 130.5 -8.1 47 47 A W E +F 37 0B 7 -2,-0.5 -10,-0.2 -10,-0.2 3,-0.1 -0.601 29.6 173.6 -75.0 124.3 147.9 130.6 -11.8 48 48 A I E - 0 0 16 -12,-2.7 13,-1.9 -2,-0.4 2,-0.3 0.880 50.7 -62.3 -96.8 -50.3 149.7 127.4 -12.8 49 49 A G E -FG 36 60B 0 -13,-1.0 -13,-1.6 11,-0.2 -1,-0.3 -0.944 39.9-131.5-174.7-166.4 149.9 127.5 -16.6 50 50 A E E -FG 35 59B 0 9,-1.9 9,-1.5 -2,-0.3 2,-0.3 -0.970 9.4-165.6-162.3 164.9 148.1 127.7 -19.9 51 51 A I E -FG 34 58B 1 -17,-0.9 -17,-2.8 -2,-0.3 7,-0.2 -0.972 18.8-136.2-159.6 146.0 148.1 126.1 -23.3 52 52 A I E >>> - G 0 57B 0 5,-2.4 4,-4.0 -2,-0.3 3,-0.8 -0.925 13.0-159.8-110.9 105.4 146.6 126.9 -26.7 53 53 A P T 345S+ 0 0 31 0, 0.0 21,-0.2 0, 0.0 -1,-0.1 0.858 86.2 61.6 -48.9 -47.0 145.1 123.7 -28.3 54 54 A S T 345S+ 0 0 43 -22,-0.4 -24,-0.1 -25,-0.3 -23,-0.1 0.851 124.7 17.3 -53.0 -39.6 145.1 125.0 -31.9 55 55 A Y T <45S- 0 0 152 -3,-0.8 -1,-0.2 -25,-0.2 -24,-0.0 0.736 98.0-130.7-104.4 -33.9 148.9 125.3 -31.9 56 56 A G T <5 + 0 0 44 -4,-4.0 2,-0.2 1,-0.3 16,-0.1 0.520 56.3 136.7 95.8 4.6 149.8 123.2 -28.9 57 57 A R E < -G 52 0B 85 -5,-0.5 -5,-2.4 14,-0.0 2,-0.3 -0.596 30.2-170.0 -87.4 150.3 152.2 125.5 -27.0 58 58 A A E -G 51 0B 23 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.984 8.0-160.6-139.7 149.2 152.0 126.0 -23.3 59 59 A N E -G 50 0B 10 -9,-1.5 -9,-1.9 -2,-0.3 2,-0.3 -0.875 11.8-150.4-125.6 158.3 153.6 128.4 -20.8 60 60 A Y E -G 49 0B 50 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.867 27.2 -90.8-132.1 164.7 154.1 128.2 -17.0 61 61 A N > - 0 0 25 -13,-1.9 3,-0.7 -2,-0.3 -13,-0.0 -0.575 28.4-162.8 -72.3 123.2 154.3 130.2 -13.8 62 62 A E T 3 S+ 0 0 131 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.536 81.5 69.5 -86.3 -5.7 157.9 131.2 -13.2 63 63 A K T 3 S+ 0 0 163 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.463 99.6 50.8 -90.2 -2.2 157.3 132.0 -9.6 64 64 A I S < S- 0 0 40 -3,-0.7 2,-0.5 -16,-0.1 -4,-0.0 -0.854 95.8 -83.6-133.2 168.6 156.7 128.4 -8.5 65 65 A Q - 0 0 147 -2,-0.3 2,-0.5 1,-0.1 3,-0.1 -0.586 49.6-118.9 -73.0 120.5 158.2 125.0 -8.7 66 66 A K + 0 0 136 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 -0.469 53.9 147.4 -66.0 113.2 157.2 123.4 -12.0 67 67 A K + 0 0 65 -2,-0.5 17,-1.6 16,-0.0 2,-0.2 0.497 52.0 74.9-119.3 -16.4 155.2 120.3 -11.2 68 68 A A - 0 0 3 15,-0.2 2,-0.3 -3,-0.1 15,-0.2 -0.619 51.1-168.7-104.7 161.6 152.8 120.3 -14.2 69 69 A T - 0 0 65 13,-0.5 13,-2.9 -2,-0.2 2,-0.4 -0.941 17.8-148.7-146.8 117.9 153.1 119.5 -17.9 70 70 A L E +C 81 0A 13 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.761 22.0 163.1 -99.7 138.8 150.3 120.5 -20.2 71 71 A T E -C 80 0A 58 9,-1.9 9,-2.0 -2,-0.4 2,-0.3 -0.864 18.3-147.0-139.0 170.1 149.2 118.7 -23.4 72 72 A A E -C 79 0A 40 -2,-0.3 2,-0.6 7,-0.2 7,-0.2 -1.000 10.5-151.9-148.5 146.6 146.1 118.8 -25.6 73 73 A D E >> -C 78 0A 62 5,-2.5 5,-1.6 -2,-0.3 4,-0.9 -0.892 9.8-172.6-120.0 97.8 144.0 116.4 -27.8 74 74 A K T 45S+ 0 0 124 -2,-0.6 -1,-0.1 1,-0.2 3,-0.1 0.814 83.2 55.8 -59.3 -35.2 142.3 118.3 -30.6 75 75 A S T 45S+ 0 0 112 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.911 119.9 29.5 -66.7 -42.4 140.2 115.3 -31.8 76 76 A S T 45S- 0 0 57 -3,-0.2 -52,-0.2 2,-0.1 -1,-0.2 0.362 103.0-128.0 -98.5 3.5 138.7 114.7 -28.4 77 77 A S T <5 + 0 0 54 -4,-0.9 -53,-2.6 1,-0.2 2,-0.4 0.894 60.1 142.6 51.0 46.3 138.8 118.4 -27.3 78 78 A T E < -BC 23 73A 4 -5,-1.6 -5,-2.5 -55,-0.2 2,-0.4 -0.963 39.6-156.1-125.0 136.1 140.5 117.4 -24.0 79 79 A A E -BC 22 72A 0 -57,-1.7 -57,-0.7 -2,-0.4 2,-0.4 -0.869 13.1-162.2-107.3 138.6 143.3 119.2 -22.1 80 80 A F E -BC 21 71A 44 -9,-2.0 -9,-1.9 -2,-0.4 2,-0.5 -0.925 10.5-162.2-124.1 146.8 145.6 117.3 -19.7 81 81 A M E -BC 20 70A 0 -61,-2.2 -61,-2.0 -2,-0.4 2,-0.6 -0.949 11.6-152.9-129.5 111.5 147.8 118.4 -16.9 82 82 A Q E -B 19 0A 52 -13,-2.9 -13,-0.5 -2,-0.5 2,-0.5 -0.741 10.1-170.2 -88.1 117.4 150.5 116.0 -15.7 83 83 A L E -B 18 0A 3 -65,-2.8 -65,-2.5 -2,-0.6 2,-0.3 -0.917 13.0-171.2-106.1 130.3 151.5 116.5 -12.0 84 84 A S + 0 0 52 -17,-1.6 -67,-0.2 -2,-0.5 -68,-0.1 -0.830 53.1 9.3-124.5 163.3 154.6 114.5 -11.0 85 85 A S S S- 0 0 68 -70,-0.4 -1,-0.2 -2,-0.3 -68,-0.2 0.878 83.6-171.1 35.8 59.7 156.6 113.7 -7.8 86 86 A L - 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