Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4grs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 45.A OD2 no hydrogen 2.903 N/A ILE 2.A N VAL 63.A O no hydrogen 2.914 N/A VAL 3.A N ILE 39.A O no hydrogen 2.757 N/A VAL 4.A N SER 61.A O no hydrogen 3.015 N/A LEU 5.A N THR 37.A O no hydrogen 3.057 N/A LYS 6.A N CYS 58.A O no hydrogen 2.945 N/A LYS 6.A NZ ASP 57.A O no hydrogen 3.109 N/A SER 9.A N LYS 6.A O no hydrogen 3.215 N/A SER 9.A OG LYS 6.A O no hydrogen 3.223 N/A SER 9.A OG CYS 58.A O no hydrogen 3.327 N/A THR 10.A N ASP 13.A OD1 no hydrogen 3.051 N/A THR 10.A OG1 GLU 12.A OE2 no hydrogen 3.310 N/A THR 10.A OG1 ASP 13.A OD1 no hydrogen 2.724 N/A ASP 13.A N THR 10.A O no hydrogen 3.267 N/A ILE 14.A N THR 10.A O no hydrogen 3.483 N/A ARG 15.A N GLU 11.A O no hydrogen 3.229 N/A LYS 16.A N GLU 12.A O no hydrogen 3.120 N/A VAL 17.A N ASP 13.A O no hydrogen 2.930 N/A VAL 18.A N ILE 14.A O no hydrogen 2.911 N/A LYS 19.A N ARG 15.A O no hydrogen 2.914 N/A LEU 20.A N LYS 16.A O no hydrogen 3.250 N/A ALA 21.A N VAL 17.A O no hydrogen 2.952 N/A GLU 22.A N VAL 18.A O no hydrogen 2.771 N/A SER 23.A N LYS 19.A O no hydrogen 3.189 N/A SER 23.A N LEU 20.A O no hydrogen 3.273 N/A SER 23.A OG LEU 20.A O no hydrogen 2.805 N/A TYR 24.A N ALA 21.A O no hydrogen 3.360 N/A ASN 25.A N GLU 22.A O no hydrogen 3.117 N/A LEU 26.A N ALA 21.A O no hydrogen 2.946 N/A HIS 29.A N GLY 40.A O no hydrogen 2.958 N/A SER 31.A N VAL 38.A O no hydrogen 2.801 N/A LYS 32.A NZ GLU 11.A OE2 no hydrogen 3.396 N/A GLY 33.A N ARG 36.A O no hydrogen 2.988 N/A ARG 36.A NH1 LEU 5.A O no hydrogen 3.324 N/A ARG 36.A NH1 GLU 60.A OE1 no hydrogen 2.935 N/A ARG 36.A NH2 GLU 60.A OE1 no hydrogen 3.471 N/A VAL 38.A N SER 31.A O no hydrogen 2.988 N/A ILE 39.A N VAL 3.A O no hydrogen 2.893 N/A GLY 40.A N HIS 29.A O no hydrogen 3.267 N/A ILE 41.A N MET 1.A O no hydrogen 2.980 N/A ILE 42.A N LYS 27.A O no hydrogen 2.785 N/A ARG 46.A NE LYS 67.A O no hydrogen 3.273 N/A TYR 47.A OH GLU 222.A OE2 no hydrogen 3.401 N/A PHE 53.A N ALA 50.A O no hydrogen 2.934 N/A GLU 54.A N ALA 50.A O no hydrogen 3.112 N/A SER 55.A N ASP 51.A O no hydrogen 2.804 N/A LEU 56.A N PHE 53.A O no hydrogen 3.218 N/A VAL 59.A N LEU 56.A O no hydrogen 3.274 N/A GLU 60.A N VAL 4.A O no hydrogen 2.814 N/A SER 61.A N VAL 4.A O no hydrogen 3.410 N/A VAL 63.A N ILE 2.A O no hydrogen 3.009 N/A ARG 64.A NH1 ASP 45.A O no hydrogen 3.230 N/A ARG 64.A NH2 ASP 45.A O no hydrogen 2.777 N/A LYS 70.A N GLU 222.A OE2 no hydrogen 3.130 N/A LEU 71.A N GLU 222.A OE2 no hydrogen 3.067 N/A VAL 72.A N GLU 222.A OE1 no hydrogen 2.982 N/A SER 73.A N LYS 70.A O no hydrogen 3.333 N/A ARG 74.A N LEU 261.A O no hydrogen 3.204 N/A ARG 74.A NE SER 262.A O no hydrogen 3.106 N/A ARG 74.A NH1 ASP 80.A OD1 no hydrogen 2.864 N/A ARG 74.A NH2 ASP 80.A OD1 no hydrogen 2.987 N/A ARG 74.A NH2 SER 262.A O no hydrogen 2.931 N/A GLU 75.A N SER 73.A OG no hydrogen 3.315 N/A HIS 77.A N ARG 74.A O no hydrogen 3.348 N/A HIS 77.A ND1 HIS 77.A O no hydrogen 2.704 N/A THR 81.A N HIS 263.A O no hydrogen 2.967 N/A THR 81.A OG1 HIS 263.A ND1 no hydrogen 2.733 N/A ILE 83.A N ILE 90.A O no hydrogen 3.005 N/A LEU 85.A N VAL 88.A O no hydrogen 2.811 N/A ILE 90.A N ILE 83.A O no hydrogen 3.044 N/A THR 96.A N ASP 293.A O no hydrogen 2.921 N/A THR 96.A OG1 LYS 89.A O no hydrogen 3.321 N/A THR 96.A OG1 TYR 94.A O no hydrogen 3.230 N/A ILE 98.A N ILE 295.A O no hydrogen 2.883 N/A ALA 99.A N VAL 124.A O no hydrogen 3.116 N/A GLY 100.A N VAL 297.A O no hydrogen 3.253 N/A CYS 102.A N GLN 313.A OE1 no hydrogen 2.858 N/A CYS 102.A SG GLU 298.A OE1 no hydrogen 3.574 N/A ILE 104.A N GLY 128.A O no hydrogen 2.783 N/A ARG 107.A NE GLU 152.A OE1 no hydrogen 3.132 N/A ARG 107.A NH2 GLU 152.A OE1 no hydrogen 3.157 N/A GLN 109.A N SER 106.A OG no hydrogen 3.029 N/A GLN 109.A NE2 SER 103.A O no hydrogen 2.911 N/A ILE 110.A N SER 106.A O no hydrogen 3.056 N/A MET 111.A N ARG 107.A O no hydrogen 3.049 N/A LYS 112.A N ASP 108.A O no hydrogen 2.885 N/A VAL 113.A N GLN 109.A O no hydrogen 3.327 N/A ALA 114.A N ILE 110.A O no hydrogen 2.927 N/A GLU 115.A N MET 111.A O no hydrogen 2.908 N/A PHE 116.A N LYS 112.A O no hydrogen 3.280 N/A LEU 117.A N VAL 113.A O no hydrogen 2.959 N/A ALA 118.A N ALA 114.A O no hydrogen 3.142 N/A GLU 119.A N GLU 115.A O no hydrogen 3.151 N/A VAL 120.A N PHE 116.A O no hydrogen 3.271 N/A GLY 121.A N LEU 117.A O no hydrogen 3.083 N/A GLY 121.A N ALA 118.A O no hydrogen 3.205 N/A ILE 122.A N LEU 117.A O no hydrogen 2.846 N/A LEU 125.A N VAL 160.A O no hydrogen 2.832 N/A ARG 126.A N ALA 99.A O no hydrogen 2.925 N/A GLY 127.A N VAL 162.A O no hydrogen 3.214 N/A GLY 128.A N CYS 102.A O no hydrogen 2.900 N/A SER 138.A OG TYR 137.A O no hydrogen 2.666 N/A GLY 143.A N ALA 129.A O no hydrogen 3.160 N/A LEU 147.A N GLY 143.A O no hydrogen 2.958 N/A ARG 148.A N GLU 144.A O no hydrogen 2.827 N/A ARG 148.A NH1 GLU 152.A OE2 no hydrogen 3.097 N/A TRP 149.A N LYS 145.A O no hydrogen 3.033 N/A MET 150.A N ALA 146.A O no hydrogen 3.103 N/A ARG 151.A N LEU 147.A O no hydrogen 3.088 N/A ARG 151.A NE ARG 151.A O no hydrogen 3.421 N/A ARG 151.A NH2 ASP 179.A OD2 no hydrogen 2.929 N/A GLU 152.A N ARG 148.A O no hydrogen 3.047 N/A ALA 153.A N TRP 149.A O no hydrogen 3.126 N/A ALA 154.A N MET 150.A O no hydrogen 2.787 N/A ASP 155.A N ARG 151.A O no hydrogen 2.948 N/A GLU 156.A N GLU 152.A O no hydrogen 2.872 N/A TYR 157.A N ALA 154.A O no hydrogen 3.214 N/A GLY 158.A N ASP 155.A O no hydrogen 3.430 N/A LEU 159.A N ALA 154.A O no hydrogen 2.907 N/A VAL 160.A N LYS 123.A O no hydrogen 2.905 N/A THR 161.A N ASP 179.A OD2 no hydrogen 2.910 N/A THR 161.A OG1 SER 178.A OG no hydrogen 2.877 N/A THR 161.A OG1 ASP 179.A OD2 no hydrogen 3.169 N/A VAL 162.A N LEU 125.A O no hydrogen 2.905 N/A THR 163.A N ILE 180.A O no hydrogen 3.272 N/A THR 163.A OG1 GLY 127.A O no hydrogen 2.983 N/A VAL 165.A N GLN 182.A O no hydrogen 2.860 N/A THR 168.A OG1 ASP 167.A OD1 no hydrogen 3.533 N/A ARG 169.A N ASP 167.A OD1 no hydrogen 3.061 N/A ARG 169.A NE ASP 167.A OD1 no hydrogen 3.246 N/A ARG 169.A NE ASP 167.A OD2 no hydrogen 3.242 N/A ARG 169.A NH1 ASP 167.A OD2 no hydrogen 3.192 N/A VAL 174.A N HIS 170.A O no hydrogen 3.130 N/A ALA 175.A N VAL 171.A O no hydrogen 2.932 N/A LYS 176.A N GLU 172.A O no hydrogen 3.219 N/A LYS 176.A N LEU 173.A O no hydrogen 3.236 N/A TYR 177.A N VAL 174.A O no hydrogen 3.025 N/A TYR 177.A OH GLU 144.A OE2 no hydrogen 3.089 N/A SER 178.A N VAL 174.A O no hydrogen 2.937 N/A SER 178.A OG THR 161.A OG1 no hydrogen 2.877 N/A SER 178.A OG ILE 180.A O no hydrogen 3.254 N/A ASP 179.A N THR 161.A OG1 no hydrogen 3.168 N/A ILE 180.A N THR 161.A O no hydrogen 2.871 N/A LEU 181.A N PRO 203.A O no hydrogen 2.919 N/A GLN 182.A N THR 163.A O no hydrogen 2.873 N/A ILE 183.A N LEU 205.A O no hydrogen 2.753 N/A ASN 187.A N GLY 184.A O no hydrogen 2.903 N/A SER 188.A N ALA 185.A O no hydrogen 2.886 N/A SER 188.A OG LYS 207.A O no hydrogen 3.201 N/A SER 188.A OG ASN 212.A OD1 no hydrogen 3.224 N/A ASN 190.A N ASN 187.A O no hydrogen 3.080 N/A ASN 190.A ND2 ASN 187.A OD1 no hydrogen 3.243 N/A LEU 193.A N ASN 190.A OD1 no hydrogen 2.887 N/A LEU 194.A N ASN 190.A O no hydrogen 3.053 N/A LYS 195.A N PHE 191.A O no hydrogen 3.059 N/A GLU 196.A N GLU 192.A O no hydrogen 3.254 N/A VAL 197.A N LEU 193.A O no hydrogen 3.242 N/A GLY 198.A N LEU 194.A O no hydrogen 2.965 N/A LYS 199.A N GLU 196.A O no hydrogen 3.373 N/A VAL 200.A N VAL 197.A O no hydrogen 3.432 N/A ASN 202.A ND2 ALA 175.A O no hydrogen 3.523 N/A ASN 202.A ND2 ASP 179.A O no hydrogen 2.905 N/A VAL 204.A N ASN 231.A O no hydrogen 2.879 N/A LEU 205.A N LEU 181.A O no hydrogen 2.807 N/A LEU 206.A N ILE 233.A O no hydrogen 2.740 N/A LYS 207.A N ILE 183.A O no hydrogen 3.180 N/A LYS 207.A NZ ASP 269.A OD2 no hydrogen 2.838 N/A ARG 208.A N CYS 235.A O no hydrogen 3.040 N/A ARG 208.A NE ASN 212.A O no hydrogen 2.850 N/A ARG 208.A NH1 GLU 236.A OE1 no hydrogen 2.704 N/A ARG 208.A NH1 ASP 251.A OD2 no hydrogen 2.982 N/A ARG 208.A NH2 ASN 212.A O no hydrogen 3.391 N/A ARG 208.A NH2 ASP 251.A OD2 no hydrogen 3.556 N/A GLY 209.A N SER 188.A OG no hydrogen 3.036 N/A ASN 212.A N GLY 209.A O no hydrogen 2.919 N/A ASN 212.A ND2 GLN 189.A OE1 no hydrogen 3.539 N/A THR 213.A N GLU 216.A OE1 no hydrogen 3.067 N/A GLU 216.A N THR 213.A OG1 no hydrogen 3.369 N/A LEU 217.A N THR 213.A O no hydrogen 3.001 N/A LEU 218.A N ILE 214.A O no hydrogen 2.997 N/A TYR 219.A N GLN 215.A O no hydrogen 2.800 N/A SER 220.A N GLU 216.A O no hydrogen 2.995 N/A SER 220.A OG SER 188.A O no hydrogen 2.763 N/A SER 220.A OG GLU 216.A O no hydrogen 3.311 N/A ALA 221.A N LEU 217.A O no hydrogen 3.038 N/A GLU 222.A N LEU 218.A O no hydrogen 2.821 N/A TYR 223.A N TYR 219.A O no hydrogen 3.023 N/A ILE 224.A N ALA 221.A O no hydrogen 3.001 N/A MET 225.A N ALA 221.A O no hydrogen 3.109 N/A ALA 226.A N GLU 222.A O no hydrogen 2.823 N/A GLN 227.A N ILE 224.A O no hydrogen 3.133 N/A GLY 228.A N MET 225.A O no hydrogen 2.943 N/A ASN 229.A N GLY 198.A O no hydrogen 3.224 N/A ASN 229.A ND2 VAL 197.A O no hydrogen 3.016 N/A ASN 229.A ND2 ASN 202.A O no hydrogen 2.775 N/A ASN 231.A N ASN 229.A OD1 no hydrogen 3.236 N/A ILE 233.A N VAL 204.A O no hydrogen 2.733 N/A LEU 234.A N PRO 265.A O no hydrogen 2.892 N/A CYS 235.A N LEU 206.A O no hydrogen 2.895 N/A CYS 235.A SG GLU 236.A O no hydrogen 3.864 N/A CYS 235.A SG ILE 267.A O no hydrogen 3.663 N/A GLU 236.A N ILE 267.A O no hydrogen 2.945 N/A ARG 237.A NH1 GLY 238.A O no hydrogen 3.064 N/A GLY 238.A N GLU 236.A OE2 no hydrogen 2.827 N/A ILE 239.A N THR 249.A O no hydrogen 2.904 N/A ARG 240.A N MET 210.A O no hydrogen 2.840 N/A THR 241.A OG1 THR 249.A OG1 no hydrogen 3.003 N/A GLU 243.A N THR 241.A OG1 no hydrogen 3.191 N/A THR 244.A N GLU 243.A OE2 no hydrogen 3.078 N/A ALA 245.A N GLU 243.A OE2 no hydrogen 3.019 N/A THR 246.A OG1 PHE 248.A O no hydrogen 2.953 N/A ARG 247.A NE HIS 272.A O no hydrogen 3.424 N/A ARG 247.A NH2 HIS 272.A O no hydrogen 3.185 N/A PHE 248.A N PRO 273.A O no hydrogen 3.204 N/A THR 249.A N ILE 239.A O no hydrogen 3.009 N/A THR 249.A OG1 THR 241.A OG1 no hydrogen 3.003 N/A ASP 251.A N GLU 236.A OE2 no hydrogen 2.818 N/A SER 253.A OG ASP 251.A OD1 no hydrogen 2.725 N/A ALA 254.A N ASP 251.A O no hydrogen 3.038 N/A VAL 255.A N ILE 252.A O no hydrogen 3.270 N/A VAL 257.A N SER 253.A O no hydrogen 3.135 N/A VAL 258.A N ALA 254.A O no hydrogen 3.061 N/A LYS 259.A N VAL 255.A O no hydrogen 2.912 N/A LYS 259.A NZ ASP 293.A OD1 no hydrogen 2.973 N/A LYS 259.A NZ ASP 293.A OD2 no hydrogen 2.902 N/A GLU 260.A N PRO 256.A O no hydrogen 3.064 N/A LEU 261.A N VAL 257.A O no hydrogen 2.993 N/A SER 262.A N VAL 258.A O no hydrogen 2.638 N/A SER 262.A OG VAL 72.A O no hydrogen 2.996 N/A HIS 263.A ND1 THR 81.A OG1 no hydrogen 2.733 N/A HIS 263.A NE2 LEU 71.A O no hydrogen 2.910 N/A LEU 264.A N SER 262.A OG no hydrogen 2.917 N/A ILE 266.A N ASP 293.A OD2 no hydrogen 2.904 N/A ILE 267.A N LEU 234.A O no hydrogen 2.721 N/A VAL 268.A N GLY 294.A O no hydrogen 2.916 N/A ASP 269.A N GLU 236.A O no hydrogen 2.993 N/A SER 271.A N ASP 269.A OD1 no hydrogen 2.787 N/A HIS 272.A N ASP 269.A OD1 no hydrogen 3.052 N/A HIS 272.A NE2 GLU 298.A OE1 no hydrogen 2.882 N/A GLY 275.A N SER 271.A O no hydrogen 3.258 N/A ARG 276.A NH1 ALA 245.A O no hydrogen 3.037 N/A ARG 277.A N GLN 311.A O no hydrogen 2.926 N/A ARG 277.A NE GLN 313.A O no hydrogen 2.963 N/A ARG 277.A NH2 GLN 313.A O no hydrogen 3.501 N/A LEU 279.A N ARG 276.A O no hydrogen 3.104 N/A VAL 280.A N ARG 277.A O no hydrogen 3.230 N/A LEU 283.A N LEU 279.A O no hydrogen 3.060 N/A ALA 284.A N VAL 280.A O no hydrogen 2.988 N/A LYS 285.A N ILE 281.A O no hydrogen 2.886 N/A ALA 286.A N PRO 282.A O no hydrogen 3.038 N/A ALA 287.A N LEU 283.A O no hydrogen 2.945 N/A TYR 288.A N ALA 284.A O no hydrogen 2.962 N/A ALA 289.A N LYS 285.A O no hydrogen 2.962 N/A ILE 290.A N ALA 286.A O no hydrogen 3.035 N/A GLY 291.A N TYR 288.A O no hydrogen 2.866 N/A ALA 292.A N ALA 287.A O no hydrogen 3.040 N/A ASP 293.A N ILE 266.A O no hydrogen 2.959 N/A ILE 295.A N THR 96.A O no hydrogen 3.077 N/A MET 296.A N VAL 268.A O no hydrogen 2.948 N/A VAL 297.A N ILE 98.A O no hydrogen 2.856 N/A GLU 298.A N SER 271.A OG no hydrogen 3.037 N/A VAL 299.A N GLY 100.A O no hydrogen 2.955 N/A HIS 300.A N LEU 314.A O no hydrogen 2.855 N/A HIS 300.A NE2 GLU 105.A OE1 no hydrogen 2.832 N/A LYS 305.A N GLU 302.A O no hydrogen 2.953 N/A ALA 306.A N PRO 303.A O no hydrogen 3.089 N/A LEU 307.A N GLU 105.A OE2 no hydrogen 2.833 N/A SER 308.A OG ASP 309.A OD1 no hydrogen 3.540 N/A GLN 312.A N ASP 309.A O no hydrogen 3.157 N/A GLN 312.A NE2 GLU 298.A OE2 no hydrogen 2.967 N/A GLN 313.A NE2 SER 308.A O no hydrogen 3.394 N/A LEU 314.A N GLU 298.A O no hydrogen 2.909 N/A THR 315.A N ASP 318.A OD2 no hydrogen 3.339 N/A ASP 318.A N THR 315.A OG1 no hydrogen 2.926 N/A PHE 319.A N THR 315.A O no hydrogen 2.963 N/A LEU 320.A N PHE 316.A O no hydrogen 3.188 N/A GLN 321.A N ASP 317.A O no hydrogen 3.119 N/A LEU 322.A N ASP 318.A O no hydrogen 2.991 N/A LEU 323.A N PHE 319.A O no hydrogen 3.137 N/A LYS 324.A N LEU 320.A O no hydrogen 3.040 N/A GLU 325.A N GLN 321.A O no hydrogen 2.933 N/A LEU 326.A N LEU 322.A O no hydrogen 2.936 N/A GLU 327.A N LEU 323.A O no hydrogen 2.924 N/A ALA 328.A N LYS 324.A O no hydrogen 3.025 N/A LEU 329.A N LEU 326.A O no hydrogen 2.918 N/A GLY 330.A N GLU 327.A O no hydrogen 2.837 N/A TRP 331.A N LEU 326.A O no hydrogen 3.184 N/A