==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MHC II 13-MAR-98 2IAD . COMPND 2 MOLECULE: MHC CLASS II I-AD; . SOURCE 2 FRAGMENT: RESIDUES 126P - 138P OF CHAIN B; . AUTHOR C.A.SCOTT,P.A.PETERSON,L.TEYTON,I.A.WILSON . 388 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18725.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 135 34.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 52 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.6 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 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 4 4 0 6 2 1 0 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 1 3 0 0 0 1 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 1AA I 0 0 97 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 179.1 23.0 -14.8 12.1 2 1BA E + 0 0 122 213,-0.1 2,-0.3 2,-0.0 3,-0.1 -0.536 360.0 149.7 -70.3 120.7 19.4 -13.6 12.2 3 2 A A - 0 0 35 -2,-0.4 214,-0.3 1,-0.1 3,-0.1 -0.993 49.9-146.2-153.4 152.2 19.4 -10.3 14.1 4 3 A D S S+ 0 0 79 212,-2.8 2,-0.3 1,-0.3 213,-0.2 0.730 93.5 5.7 -88.9 -26.6 17.4 -7.1 14.2 5 4 A H E -A 216 0A 54 211,-2.3 211,-3.6 214,-0.1 2,-0.4 -0.986 63.8-160.8-151.5 155.3 20.5 -5.2 15.1 6 5 A V E -A 215 0A 31 -2,-0.3 22,-3.2 209,-0.3 2,-0.4 -0.985 3.9-162.6-144.0 128.7 24.1 -5.9 15.5 7 6 A G E -AB 214 27A 0 207,-3.5 207,-3.4 -2,-0.4 2,-1.0 -0.929 12.8-147.3-111.8 133.6 26.7 -3.8 17.4 8 7 A F E +AB 213 26A 32 18,-2.6 18,-2.2 -2,-0.4 2,-0.3 -0.850 28.9 173.8 -99.8 98.0 30.4 -4.2 16.8 9 8 A Y E + B 0 25A 1 203,-1.4 186,-4.7 -2,-1.0 16,-0.1 -0.400 61.6 14.4-109.9 58.1 31.8 -3.5 20.2 10 9 A G E S+ 0 0 0 14,-0.5 -1,-0.1 -2,-0.3 15,-0.1 0.358 72.2 168.6 162.5 4.2 35.5 -4.0 20.7 11 10 A T E + 0 0 5 201,-0.4 13,-1.9 13,-0.3 2,-0.3 -0.086 10.8 179.4 -45.1 116.2 36.9 -4.3 17.1 12 11 A T E -CB 210 23A 0 198,-2.8 198,-2.3 11,-0.2 2,-0.4 -0.918 13.0-170.1-125.7 151.4 40.6 -4.1 17.1 13 12 A V E +CB 209 22A 5 9,-2.2 9,-2.3 -2,-0.3 2,-0.4 -1.000 4.8 179.8-140.1 136.5 43.3 -4.3 14.3 14 13 A Y E -CB 208 21A 9 194,-2.4 194,-1.6 -2,-0.4 2,-0.4 -0.997 7.6-171.2-141.7 137.1 47.1 -4.6 14.5 15 14 A Q E > -CB 207 20A 5 5,-2.8 5,-1.6 -2,-0.4 192,-0.2 -0.991 15.5-146.7-127.4 132.7 49.8 -4.8 11.9 16 15 A S T > 5S+ 0 0 31 190,-1.4 3,-2.6 -2,-0.4 2,-0.6 0.968 78.3 70.1 -67.8 -62.8 53.4 -5.6 12.7 17 16 A P T 3 5S+ 0 0 60 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.476 121.4 10.6 -63.3 112.6 55.7 -3.8 10.4 18 17 A G T 3 5S- 0 0 69 -2,-0.6 -2,-0.1 1,-0.2 -3,-0.0 0.284 108.4-104.2 104.0 -8.9 55.1 -0.2 11.6 19 18 A D T < 5 + 0 0 110 -3,-2.6 2,-0.6 1,-0.2 -3,-0.2 0.923 58.7 178.1 52.9 48.7 53.2 -1.1 14.8 20 19 A I E < +B 15 0A 70 -5,-1.6 -5,-2.8 -3,-0.2 2,-0.3 -0.736 4.1 164.4 -87.5 117.0 50.0 -0.0 13.1 21 20 A G E -B 14 0A 23 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.960 16.4-169.6-136.7 153.5 46.8 -0.5 15.1 22 21 A Q E -B 13 0A 38 -9,-2.3 -9,-2.2 -2,-0.3 2,-0.4 -0.983 3.9-165.3-141.7 151.3 43.2 0.7 15.1 23 22 A Y E +B 12 0A 2 -2,-0.3 12,-1.9 12,-0.3 2,-0.3 -0.975 21.6 149.9-141.3 123.9 40.2 0.6 17.4 24 23 A T E - D 0 34A 2 -13,-1.9 -14,-0.5 -2,-0.4 2,-0.3 -0.859 30.9-140.3-143.7 177.7 36.6 1.3 16.6 25 24 A H E -BD 9 33A 0 8,-1.4 7,-3.1 -2,-0.3 8,-1.0 -0.990 19.2-173.4-141.3 142.1 32.9 0.6 17.4 26 25 A E E -BD 8 31A 3 -18,-2.2 -18,-2.6 -2,-0.3 2,-0.4 -0.926 12.4-156.5-134.8 159.0 30.0 0.2 14.9 27 26 A F E > S-BD 7 30A 1 3,-2.6 3,-0.8 -2,-0.3 -20,-0.2 -0.883 79.0 -17.6-141.5 111.2 26.3 -0.2 15.1 28 27 A D T 3 S- 0 0 40 -22,-3.2 -21,-0.1 -2,-0.4 3,-0.1 0.869 129.9 -47.4 65.1 39.8 24.3 -1.8 12.3 29 28 A G T 3 S+ 0 0 17 -23,-0.3 2,-0.4 1,-0.3 -1,-0.2 0.366 116.1 109.7 86.7 -4.4 27.1 -1.3 9.8 30 29 A D E < S-D 27 0A 3 -3,-0.8 -3,-2.6 322,-0.1 2,-0.4 -0.841 73.2-110.6-108.4 143.5 27.8 2.3 10.6 31 30 A E E -D 26 0A 3 -2,-0.4 -5,-0.3 320,-0.3 14,-0.1 -0.575 26.4-174.5 -76.2 121.4 31.0 3.6 12.4 32 31 A L E - 0 0 1 -7,-3.1 13,-2.2 -2,-0.4 14,-0.6 0.919 59.6 -49.2 -78.6 -50.0 30.3 4.9 15.9 33 32 A F E -DE 25 44A 0 -8,-1.0 -8,-1.4 11,-0.3 -1,-0.3 -0.949 45.2-136.7-168.8 179.5 33.8 6.3 16.8 34 33 A Y E -DE 24 43A 75 9,-1.8 9,-2.7 -2,-0.3 2,-0.6 -0.965 24.5-115.7-148.0 156.3 37.5 5.5 16.7 35 34 A V E - E 0 42A 5 -12,-1.9 2,-1.2 -2,-0.3 -12,-0.3 -0.864 15.7-134.3-103.9 121.3 40.2 6.1 19.3 36 35 A D E >> - E 0 41A 39 5,-2.6 4,-3.4 -2,-0.6 5,-0.7 -0.572 19.2-167.5 -67.8 98.8 43.1 8.4 18.6 37 36 A L T 45S+ 0 0 49 -2,-1.2 -1,-0.2 1,-0.2 5,-0.0 0.537 87.1 48.7 -69.7 -1.8 45.8 6.1 19.9 38 37 A D T 45S+ 0 0 150 3,-0.1 -1,-0.2 -3,-0.0 -2,-0.1 0.829 122.7 26.2-101.3 -51.8 48.0 9.1 19.6 39 38 A K T 45S- 0 0 155 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.740 101.2-132.7 -83.3 -23.6 46.0 11.8 21.3 40 39 A K T <5 + 0 0 120 -4,-3.4 2,-0.4 1,-0.2 -3,-0.2 0.910 58.3 138.3 70.9 45.4 44.3 9.1 23.3 41 40 A K E < -E 36 0A 120 -5,-0.7 -5,-2.6 16,-0.1 2,-0.8 -0.979 58.6-125.6-128.2 134.3 40.8 10.6 22.6 42 41 A T E -E 35 0A 20 -2,-0.4 2,-0.6 13,-0.3 -7,-0.2 -0.673 31.2-161.6 -78.5 110.2 37.6 8.9 21.7 43 42 A V E -E 34 0A 47 -9,-2.7 -9,-1.8 -2,-0.8 2,-0.3 -0.849 5.3-145.3-101.0 118.2 36.5 10.6 18.4 44 43 A W E -E 33 0A 35 -2,-0.6 -11,-0.3 -11,-0.2 -12,-0.1 -0.573 13.0-150.4 -86.8 140.6 32.8 10.2 17.4 45 44 A R S S+ 0 0 34 -13,-2.2 -1,-0.1 1,-0.3 -12,-0.1 0.940 104.1 36.0 -68.9 -48.6 31.5 9.9 13.8 46 45 A L S >> S- 0 0 14 -14,-0.6 3,-2.4 -15,-0.1 4,-0.6 -0.900 82.4-160.7-105.5 100.2 28.3 11.7 14.9 47 46 A P T 34 S+ 0 0 85 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.627 86.6 69.6 -60.0 -12.6 29.6 14.2 17.4 48 47 A E T 34 S+ 0 0 90 1,-0.2 4,-0.3 2,-0.1 3,-0.3 0.798 94.2 58.7 -75.6 -24.7 26.1 14.5 18.8 49 48 A F T X> S+ 0 0 11 -3,-2.4 3,-1.4 1,-0.2 4,-1.1 0.868 98.1 53.4 -70.4 -43.4 26.6 10.9 20.2 50 49 A G T 3< S+ 0 0 24 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.632 100.5 66.5 -69.1 -11.6 29.6 11.4 22.4 51 50 A Q T 34 S+ 0 0 163 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.716 110.2 33.4 -79.2 -23.4 27.7 14.2 24.0 52 51 A L T <4 S+ 0 0 105 -3,-1.4 2,-0.3 -4,-0.3 -2,-0.2 0.508 129.8 20.2-109.5 -11.4 25.2 11.7 25.4 53 52 A I < - 0 0 12 -4,-1.1 2,-0.4 138,-0.0 -1,-0.2 -0.963 68.0-147.1-151.0 164.1 27.5 8.8 26.0 54 53 A L - 0 0 64 -2,-0.3 138,-1.7 -3,-0.1 137,-0.7 -0.994 7.0-154.5-148.2 145.6 31.2 8.2 26.5 55 54 A F - 0 0 9 -2,-0.4 -13,-0.3 136,-0.2 138,-0.1 -0.941 22.5-131.6-116.6 132.7 33.9 5.7 25.8 56 55 A E > - 0 0 63 -2,-0.5 3,-2.7 136,-0.4 4,-0.5 -0.738 13.1-145.8 -86.0 110.0 37.1 5.5 27.9 57 56 A P T >> S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 3,-0.7 0.703 93.4 70.9 -45.0 -31.9 40.1 5.3 25.5 58 57 A Q H 3> S+ 0 0 112 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.805 90.4 63.1 -60.9 -27.2 42.0 3.0 27.8 59 58 A G H <> S+ 0 0 22 -3,-2.7 4,-1.1 2,-0.2 -1,-0.3 0.911 108.8 39.7 -62.6 -41.3 39.5 0.4 26.9 60 59 A G H X> S+ 0 0 0 -3,-0.7 4,-2.0 -4,-0.5 3,-1.0 0.975 114.4 50.4 -71.2 -57.2 40.8 0.6 23.3 61 60 A L H 3X S+ 0 0 42 -4,-2.6 4,-2.4 1,-0.3 -2,-0.2 0.869 108.1 55.6 -47.8 -40.6 44.5 1.0 24.1 62 61 A Q H 3X S+ 0 0 117 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.3 0.880 109.3 46.7 -61.0 -36.8 44.1 -2.1 26.3 63 62 A N H S+ 0 0 7 -4,-2.7 5,-3.1 -5,-0.3 4,-0.6 0.920 110.5 41.6 -52.1 -48.5 53.0 -15.0 13.5 76 75 A K H ><5S+ 0 0 124 -4,-1.5 3,-0.7 1,-0.2 -1,-0.2 0.875 111.2 55.7 -67.6 -39.5 55.4 -17.6 14.9 77 76 A R H 3<5S+ 0 0 74 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.774 108.3 49.7 -64.7 -26.0 52.6 -20.2 15.3 78 77 A S H 3<5S- 0 0 24 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.644 118.2-112.8 -85.0 -17.0 51.9 -19.7 11.6 79 78 A N T <<5S- 0 0 137 -3,-0.7 -3,-0.2 -4,-0.6 -2,-0.1 0.834 73.7 -58.7 79.6 40.1 55.6 -20.1 10.7 80 79 A F S - 0 0 96 3,-0.4 3,-2.9 -2,-0.3 82,-0.0 -0.991 38.1-102.8-129.4 121.7 22.1 19.7 -9.5 100 99 A L T 3 S+ 0 0 114 -2,-0.5 57,-0.2 1,-0.3 55,-0.0 -0.157 105.0 3.6 -45.7 122.0 24.3 22.2 -11.4 101 100 A G T 3 S+ 0 0 48 55,-1.8 -1,-0.3 1,-0.2 56,-0.1 0.359 98.7 120.0 80.8 -6.2 25.5 24.8 -8.8 102 101 A Q S < S- 0 0 105 -3,-2.9 -3,-0.4 1,-0.1 -1,-0.2 -0.842 72.5-107.2 -98.2 124.1 23.9 23.2 -5.8 103 102 A P + 0 0 95 0, 0.0 2,-0.3 0, 0.0 52,-0.3 -0.140 54.5 156.4 -46.3 131.7 26.4 22.2 -3.0 104 103 A N E - J 0 154B 11 50,-3.5 50,-2.6 -6,-0.0 2,-0.4 -0.846 37.1-115.4-146.7 178.4 26.9 18.5 -2.8 105 104 A T E - J 0 153B 27 -2,-0.3 -10,-2.4 48,-0.2 2,-0.3 -0.988 15.7-146.1-128.7 130.0 29.3 15.7 -1.6 106 105 A L E -IJ 94 152B 0 46,-3.4 46,-1.7 -2,-0.4 2,-0.4 -0.695 18.8-154.8 -87.3 139.7 31.1 13.2 -3.8 107 106 A I E -IJ 93 151B 0 -14,-2.9 -14,-2.7 -2,-0.3 2,-0.6 -0.959 10.9-164.1-122.4 134.5 31.6 9.8 -2.2 108 107 A a E -IJ 92 150B 0 42,-2.4 42,-1.5 -2,-0.4 2,-0.6 -0.914 6.6-167.9-118.1 105.9 34.3 7.2 -2.9 109 108 A F E -IJ 91 149B 54 -18,-2.6 -18,-1.5 -2,-0.6 2,-0.5 -0.830 5.2-170.9 -93.6 116.1 33.5 3.7 -1.6 110 109 A V E -IJ 90 148B 0 38,-2.8 38,-2.6 -2,-0.6 -20,-0.3 -0.945 10.4-176.9-111.5 124.6 36.6 1.4 -1.8 111 110 A D E +I 89 0B 40 -22,-3.8 -22,-1.9 -2,-0.5 36,-0.2 -0.608 51.4 41.1-115.6 176.1 36.1 -2.3 -1.0 112 111 A N E S+ 0 0 31 -24,-0.2 2,-0.6 1,-0.2 35,-0.2 0.862 71.2 172.6 54.1 43.1 38.1 -5.5 -0.7 113 112 A I E - 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