Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6xaa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N VAL 17.A O no hydrogen 3.300 N/A VAL 3.A N GLN 15.A O no hydrogen 2.904 N/A PHE 4.A N LYS 49.A O no hydrogen 3.220 N/A THR 5.A N HIS 13.A O no hydrogen 2.890 N/A THR 5.A OG1 HIS 13.A O no hydrogen 3.191 N/A THR 6.A N PHE 51.A O no hydrogen 2.913 N/A THR 6.A OG1 ASN 11.A O no hydrogen 2.971 N/A ASP 8.A N THR 6.A OG1 no hydrogen 3.268 N/A ASN 9.A N THR 6.A OG1 no hydrogen 2.897 N/A ILE 10.A N ASP 8.A OD1 no hydrogen 2.681 N/A ASN 11.A N ASP 8.A OD1 no hydrogen 2.800 N/A ASN 11.A ND2 ASP 8.A OD2 no hydrogen 2.833 N/A HIS 13.A N THR 5.A O no hydrogen 2.909 N/A HIS 13.A NE2 GLU 63.A OE1 no hydrogen 3.244 N/A HIS 13.A NE2 GLU 63.A OE2 no hydrogen 3.149 N/A GLN 15.A N VAL 3.A O no hydrogen 2.907 N/A VAL 17.A N ILE 1.A O no hydrogen 3.237 N/A SER 20.A OG ASP 18.A OD2 no hydrogen 2.308 N/A MET 21.A N ASP 18.A O no hydrogen 3.123 N/A THR 22.A OG1 THR 38.A O no hydrogen 2.899 N/A THR 22.A OG1 ILE 40.A O no hydrogen 2.467 N/A TYR 23.A N ILE 40.A O no hydrogen 3.102 N/A TYR 23.A OH HIS 46.A ND1 no hydrogen 2.698 N/A GLY 24.A N THR 38.A O no hydrogen 2.932 N/A GLN 26.A N TYR 23.A O no hydrogen 3.063 N/A PHE 27.A N TYR 23.A O no hydrogen 2.904 N/A GLY 28.A N GLY 24.A O no hydrogen 3.150 N/A THR 30.A OG1 GLY 28.A O no hydrogen 2.713 N/A TYR 31.A N TYR 52.A O no hydrogen 2.817 N/A LEU 32.A N ALA 35.A O no hydrogen 2.918 N/A ALA 35.A N LEU 32.A O no hydrogen 3.179 N/A VAL 37.A N THR 30.A O no hydrogen 2.825 N/A THR 38.A N ASP 36.A OD1 no hydrogen 2.950 N/A THR 38.A OG1 ASP 36.A OD1 no hydrogen 2.829 N/A ILE 40.A N VAL 37.A O no hydrogen 3.252 N/A HIS 43.A N HIS 46.A ND1 no hydrogen 3.098 N/A HIS 46.A N HIS 43.A O no hydrogen 2.960 N/A GLU 47.A N ASN 44.A O no hydrogen 3.226 N/A GLY 48.A N LYS 2.A O no hydrogen 3.231 N/A LYS 49.A N HIS 46.A O no hydrogen 3.058 N/A PHE 51.A N PHE 4.A O no hydrogen 2.901 N/A TYR 52.A N TYR 31.A O no hydrogen 2.716 N/A VAL 53.A N THR 6.A O no hydrogen 3.139 N/A LEU 60.A N ASP 57.A OD1 no hydrogen 2.874 N/A ARG 61.A N ASP 57.A O no hydrogen 2.966 N/A VAL 62.A N ASP 58.A O no hydrogen 2.897 N/A GLU 63.A N THR 59.A O no hydrogen 2.982 N/A ALA 64.A N LEU 60.A O no hydrogen 2.858 N/A PHE 65.A N ARG 61.A O no hydrogen 2.911 N/A GLU 66.A N VAL 62.A O no hydrogen 2.914 N/A TYR 67.A N GLU 63.A O no hydrogen 2.993 N/A TYR 67.A OH ASP 130.A OD2 no hydrogen 2.849 N/A TYR 68.A N ALA 64.A O no hydrogen 2.858 N/A TYR 68.A OH VAL 7.A O no hydrogen 2.871 N/A HIS 69.A N PHE 65.A O no hydrogen 2.795 N/A THR 71.A OG1 THR 71.A O no hydrogen 2.412 N/A ASP 72.A N THR 70.A OG1 no hydrogen 3.088 N/A SER 74.A N ASP 72.A OD1 no hydrogen 3.407 N/A PHE 75.A N ASP 72.A O no hydrogen 3.020 N/A ARG 78.A N SER 74.A O no hydrogen 3.018 N/A ARG 78.A NH1 ALA 149.A O no hydrogen 2.386 N/A ARG 78.A NH2 ASP 72.A OD2 no hydrogen 2.674 N/A ARG 78.A NH2 ALA 149.A O no hydrogen 3.392 N/A TYR 79.A N PHE 75.A O no hydrogen 2.882 N/A MET 80.A N LEU 76.A O no hydrogen 2.906 N/A SER 81.A N GLY 77.A O no hydrogen 2.907 N/A ALA 82.A N ARG 78.A O no hydrogen 2.912 N/A LEU 83.A N TYR 79.A O no hydrogen 2.865 N/A ASN 84.A N MET 80.A O no hydrogen 2.962 N/A HIS 85.A N ALA 82.A O no hydrogen 3.035 N/A HIS 85.A ND1 SER 81.A O no hydrogen 3.234 N/A THR 86.A N ALA 82.A O no hydrogen 2.917 N/A THR 86.A OG1 ALA 82.A O no hydrogen 3.499 N/A THR 86.A OG1 LEU 83.A O no hydrogen 3.428 N/A THR 86.A OG1 ALA 141.A O no hydrogen 2.969 N/A LYS 87.A N LEU 83.A O no hydrogen 2.910 N/A LYS 87.A NZ ASP 33.A O no hydrogen 3.513 N/A LYS 87.A NZ ASN 84.A OD1 no hydrogen 2.881 N/A LYS 88.A N HIS 85.A O no hydrogen 2.900 N/A TRP 89.A N THR 86.A O no hydrogen 3.183 N/A TRP 89.A NE1 ASP 104.A OD2 no hydrogen 3.218 N/A TYR 91.A OH THR 86.A O no hydrogen 2.706 N/A VAL 94.A N LEU 97.A O no hydrogen 2.769 N/A LEU 97.A N VAL 94.A O no hydrogen 3.010 N/A THR 98.A N GLN 117.A OE1 no hydrogen 2.809 N/A THR 98.A OG1 GLN 93.A OE1 no hydrogen 2.922 N/A THR 98.A OG1 GLN 117.A OE1 no hydrogen 3.484 N/A THR 98.A OG1 ALA 135.A O no hydrogen 2.871 N/A SER 99.A N PRO 92.A O no hydrogen 2.954 N/A SER 99.A OG GLY 283.A O no hydrogen 2.814 N/A LYS 101.A N LYS 90.A O no hydrogen 3.047 N/A TRP 102.A NE1.A ASP 282.A OD1 no hydrogen 3.217 N/A ALA 103.A N ASN 106.A OD1 no hydrogen 3.271 N/A ASN 105.A ND2 GLY 156.A O no hydrogen 2.268 N/A ASN 106.A N ALA 103.A O no hydrogen 3.035 N/A ASN 106.A ND2 LYS 101.A O no hydrogen 3.027 N/A ALA 110.A N ASN 106.A O no hydrogen 2.914 N/A THR 111.A N CYS 107.A O no hydrogen 2.951 N/A THR 111.A OG1 CYS 107.A O no hydrogen 2.860 N/A ALA 112.A N TYR 108.A O no hydrogen 2.931 N/A LEU 113.A N LEU 109.A O no hydrogen 2.892 N/A LEU 114.A N ALA 110.A O no hydrogen 2.915 N/A THR 115.A N THR 111.A O no hydrogen 2.908 N/A THR 115.A OG1 THR 111.A O no hydrogen 2.867 N/A LEU 116.A N ALA 112.A O no hydrogen 2.898 N/A GLN 117.A N LEU 113.A O no hydrogen 3.026 N/A GLN 117.A NE2 THR 98.A O no hydrogen 2.691 N/A GLN 117.A NE2 LEU 113.A O no hydrogen 3.147 N/A GLN 118.A N THR 115.A O no hydrogen 2.894 N/A GLN 118.A NE2 LEU 114.A O no hydrogen 3.145 N/A GLN 118.A NE2 HIS 271.A NE2 no hydrogen 2.768 N/A ILE 119.A N LEU 116.A O no hydrogen 3.512 N/A ASN 124.A N HIS 171.A O no hydrogen 3.333 N/A ALA 127.A N TYR 67.A O no hydrogen 2.994 N/A LEU 128.A N PRO 125.A O no hydrogen 3.077 N/A GLN 129.A N PRO 125.A O no hydrogen 3.196 N/A ASP 130.A N PRO 126.A O no hydrogen 2.921 N/A ALA 131.A N ALA 127.A O no hydrogen 2.953 N/A TYR 132.A N LEU 128.A O no hydrogen 2.828 N/A TYR 133.A N GLN 129.A O no hydrogen 2.949 N/A ARG 134.A N ASP 130.A O no hydrogen 3.031 N/A ALA 135.A N ALA 131.A O no hydrogen 2.829 N/A ARG 136.A N TYR 132.A O no hydrogen 2.880 N/A ALA 137.A N TYR 133.A O no hydrogen 2.991 N/A GLY 138.A N ALA 135.A O no hydrogen 2.806 N/A GLU 139.A N ARG 134.A O no hydrogen 2.886 N/A CYS 144.A N ALA 140.A O no hydrogen 2.968 N/A CYS 144.A SG ALA 140.A O no hydrogen 3.350 N/A ALA 145.A N ALA 141.A O no hydrogen 2.972 N/A LEU 146.A N ASN 142.A O no hydrogen 2.886 N/A ILE 147.A N PHE 143.A O no hydrogen 2.902 N/A LEU 148.A N CYS 144.A O no hydrogen 2.947 N/A ALA 149.A N ALA 145.A O no hydrogen 2.936 N/A TYR 150.A N LEU 146.A O no hydrogen 2.864 N/A TYR 150.A OH TYR 68.A O no hydrogen 2.641 N/A CYS 151.A N ILE 147.A O no hydrogen 3.026 N/A CYS 151.A SG ILE 147.A O no hydrogen 3.363 N/A ASN 152.A N ALA 149.A O no hydrogen 3.074 N/A LYS 153.A N LEU 148.A O no hydrogen 2.999 N/A LYS 153.A NZ LEU 158.A O no hydrogen 3.217 N/A THR 154.A N GLU 157.A OE1 no hydrogen 3.450 N/A THR 154.A OG1 GLU 157.A OE1 no hydrogen 3.452 N/A GLU 157.A N THR 154.A O no hydrogen 3.255 N/A VAL 161.A N TYR 269.A OH no hydrogen 3.083 N/A ARG 162.A N ASP 160.A OD2 no hydrogen 2.817 N/A THR 164.A N ASP 160.A O no hydrogen 3.163 N/A THR 164.A OG1 ASP 160.A O no hydrogen 2.896 N/A MET 165.A N VAL 161.A O no hydrogen 2.884 N/A SER 166.A N ARG 162.A O no hydrogen 2.935 N/A TYR 167.A N GLU 163.A O no hydrogen 2.970 N/A LEU 168.A N THR 164.A O no hydrogen 2.906 N/A PHE 169.A N MET 165.A O no hydrogen 2.832 N/A GLN 170.A N SER 166.A O no hydrogen 3.011 N/A HIS 171.A N LEU 168.A O no hydrogen 2.921 N/A ALA 172.A N PHE 169.A O no hydrogen 3.035 N/A ASN 173.A N LYS 122.A O no hydrogen 3.277 N/A CYS 177.A N LEU 174.A O no hydrogen 2.990 N/A LYS 178.A N GLU 234.A O no hydrogen 2.903 N/A ARG 179.A N LEU 195.A O no hydrogen 2.920 N/A ARG 179.A NE GLN 233.A OE1 no hydrogen 2.667 N/A ARG 179.A NH2 GLN 233.A OE1 no hydrogen 3.246 N/A VAL 180.A N GLN 232.A O no hydrogen 2.878 N/A LEU 181.A N THR 193.A O no hydrogen 2.911 N/A ASN 182.A N TYR 229.A O no hydrogen 3.006 N/A ASN 182.A ND2 GLN 190.A OE1 no hydrogen 3.056 N/A ASN 182.A ND2 TYR 229.A OH no hydrogen 2.682 N/A VAL 183.A N GLN 191.A O no hydrogen 2.890 N/A VAL 184.A N THR 227.A O no hydrogen 2.810 N/A CYS 185.A N GLY 189.A O no hydrogen 2.902 N/A GLY 189.A N CYS 185.A O no hydrogen 2.873 N/A GLN 191.A N VAL 183.A O no hydrogen 2.913 N/A THR 193.A N LEU 181.A O no hydrogen 2.908 N/A LEU 195.A N ARG 179.A O no hydrogen 2.849 N/A GLY 197.A N CYS 177.A O no hydrogen 3.068 N/A ALA 200.A N GLY 197.A O no hydrogen 2.920 N/A VAL 201.A N VAL 198.A O no hydrogen 2.923 N/A MET 202.A N VAL 198.A O no hydrogen 3.234 N/A TYR 203.A N MET 239.A O no hydrogen 3.084 N/A GLY 205.A N SER 241.A O no hydrogen 2.540 N/A SER 208.A N THR 206.A OG1 no hydrogen 3.258 N/A TYR 209.A N TYR 301.A OH no hydrogen 3.366 N/A TYR 209.A OH GLU 303.A OE1 no hydrogen 2.708 N/A GLN 211.A N SER 208.A OG no hydrogen 2.959 N/A GLN 211.A NE2 GLY 215.A O no hydrogen 2.817 N/A PHE 212.A N SER 208.A O no hydrogen 3.238 N/A LYS 213.A N TYR 209.A O no hydrogen 2.956 N/A LYS 214.A N GLU 210.A O no hydrogen 2.897 N/A GLY 215.A N GLN 211.A O no hydrogen 2.733 N/A VAL 216.A N LYS 228.A O no hydrogen 2.876 N/A ILE 218.A N ALA 226.A O no hydrogen 2.915 N/A CYS 220.A N LYS 224.A O no hydrogen 3.294 N/A GLY 223.A N CYS 220.A O no hydrogen 2.960 N/A ALA 226.A N ILE 218.A O no hydrogen 2.865 N/A THR 227.A N VAL 184.A O no hydrogen 2.957 N/A THR 227.A OG1 GLN 217.A OE1 no hydrogen 3.036 N/A LYS 228.A N VAL 216.A O no hydrogen 2.898 N/A LYS 228.A NZ TYR 203.A OH no hydrogen 2.785 N/A TYR 229.A N ASN 182.A O no hydrogen 2.901 N/A LEU 230.A N PHE 212.A O no hydrogen 3.097 N/A VAL 231.A N VAL 180.A O no hydrogen 2.785 N/A GLN 232.A N VAL 180.A O no hydrogen 2.977 N/A GLN 233.A N TYR 306.A O no hydrogen 2.906 N/A GLN 233.A NE2 ALA 200.A O no hydrogen 2.710 N/A GLN 233.A NE2 SER 235.A OG no hydrogen 2.977 N/A GLU 234.A N LYS 178.A O no hydrogen 2.870 N/A SER 235.A OG PHE 237.A O no hydrogen 2.725 N/A VAL 238.A N TYR 301.A O no hydrogen 2.910 N/A MET 239.A N VAL 201.A O no hydrogen 2.807 N/A MET 240.A N VAL 299.A O no hydrogen 2.867 N/A SER 241.A N TYR 203.A O no hydrogen 2.746 N/A SER 241.A OG ASP 298.A OD1 no hydrogen 2.694 N/A ALA 242.A N THR 297.A O no hydrogen 3.128 N/A ALA 245.A N ILE 296.A O no hydrogen 2.997 N/A TYR 247.A N GLY 294.A O no hydrogen 2.853 N/A LEU 249.A N TYR 292.A O no hydrogen 2.736 N/A HIS 251.A NE2 LYS 275.A O no hydrogen 2.532 N/A GLY 252.A N SER 274.A OG no hydrogen 2.957 N/A THR 253.A N LYS 250.A O no hydrogen 3.261 N/A THR 253.A OG1 LYS 250.A O no hydrogen 2.715 N/A THR 255.A N PHE 300.A O no hydrogen 2.881 N/A CYS 256.A N PHE 300.A O no hydrogen 3.418 N/A ALA 257.A N ILE 272.A O no hydrogen 2.843 N/A SER 258.A N ASP 298.A O no hydrogen 2.751 N/A GLU 259.A N LYS 270.A O no hydrogen 2.933 N/A TYR 260.A N PRO 295.A O no hydrogen 2.980 N/A TYR 260.A OH ASN 263.A O no hydrogen 2.417 N/A THR 261.A N HIS 268.A O no hydrogen 2.896 N/A ASN 263.A N CYS 266.A O no hydrogen 2.675 N/A GLN 265.A N ASN 263.A OD1 no hydrogen 2.735 N/A CYS 266.A N ASN 263.A O no hydrogen 3.263 N/A HIS 268.A N THR 261.A O no hydrogen 2.914 N/A HIS 268.A NE2 ASP 282.A OD1 no hydrogen 2.703 N/A LYS 270.A N GLU 259.A O no hydrogen 2.882 N/A HIS 271.A N ILE 281.A O no hydrogen 2.952 N/A ILE 272.A N ALA 257.A O no hydrogen 2.936 N/A THR 273.A N TYR 279.A O no hydrogen 2.890 N/A THR 273.A OG1 GLN 118.A OE1 no hydrogen 2.787 N/A SER 274.A N THR 255.A O no hydrogen 3.191 N/A LYS 275.A N THR 277.A O no hydrogen 2.856 N/A LYS 275.A NZ ASN 95.A OD1 no hydrogen 3.248 N/A GLU 276.A N GLU 276.A OE1 no hydrogen 2.672 N/A THR 277.A OG1 SER 289.A O no hydrogen 2.510 N/A LEU 278.A N THR 277.A OG1 no hydrogen 2.823 N/A LEU 278.A N SER 289.A O no hydrogen 2.945 N/A TYR 279.A N THR 273.A O no hydrogen 2.921 N/A TYR 279.A OH GLU 276.A OE2 no hydrogen 2.266 N/A CYS 280.A N THR 287.A O no hydrogen 2.866 N/A ILE 281.A N HIS 271.A O no hydrogen 2.842 N/A ASP 282.A N LEU 285.A O no hydrogen 2.877 N/A LEU 285.A N ASP 282.A O no hydrogen 2.951 N/A THR 287.A N CYS 280.A O no hydrogen 2.966 N/A THR 287.A OG1 LYS 288.A O no hydrogen 3.519 N/A SER 289.A N LEU 278.A O no hydrogen 2.869 N/A SER 289.A OG GLU 291.A O no hydrogen 2.543 N/A TYR 292.A N LEU 249.A O no hydrogen 3.086 N/A TYR 292.A OH GLU 259.A OE2 no hydrogen 2.354 N/A GLY 294.A N TYR 247.A O no hydrogen 2.999 N/A ILE 296.A N ALA 245.A O no hydrogen 2.887 N/A THR 297.A N SER 258.A O no hydrogen 2.949 N/A THR 297.A OG1 ALA 242.A O no hydrogen 3.320 N/A THR 297.A OG1 ASP 298.A OD2 no hydrogen 3.482 N/A VAL 299.A N MET 240.A O no hydrogen 2.887 N/A PHE 300.A N CYS 256.A O no hydrogen 2.702 N/A TYR 301.A N VAL 238.A O no hydrogen 2.915 N/A TYR 301.A OH LEU 207.A O no hydrogen 2.552 N/A GLU 303.A N PRO 236.A O no hydrogen 3.209 N/A ASN 304.A N GLU 303.A OE2 no hydrogen 2.746 N/A TYR 306.A N GLN 233.A O no hydrogen 2.890 N/A THR 308.A N VAL 231.A O no hydrogen 2.717 N/A