Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a5m_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N PRO 91.A O no hydrogen 2.855 N/A VAL 4.A N GLY 15.A O no hydrogen 2.984 N/A ILE 5.A N LEU 93.A O no hydrogen 2.842 N/A ASP 6.A N LYS 13.A O no hydrogen 2.853 N/A CYS 12.A N PHE 26.A O no hydrogen 2.694 N/A LYS 13.A N ASP 6.A O no hydrogen 2.984 N/A LYS 13.A NZ MET 11.A O no hydrogen 2.970 N/A ALA 14.A N ALA 24.A O no hydrogen 2.811 N/A GLY 15.A N VAL 4.A O no hydrogen 3.035 N/A ALA 17.A N ALA 2.A O no hydrogen 2.891 N/A GLY 18.A N SER 333.A OG no hydrogen 2.743 N/A ASP 19.A N PHE 16.A O no hydrogen 3.019 N/A ARG 23.A NH2 ASP 19.A OD2 no hydrogen 2.459 N/A ALA 24.A N ALA 14.A O no hydrogen 2.982 N/A PHE 26.A N CYS 12.A O no hydrogen 2.988 N/A SER 28.A N GLY 10.A O no hydrogen 2.763 N/A SER 28.A OG GLY 8.A O no hydrogen 3.425 N/A ILE 29.A N PRO 27.A O no hydrogen 2.722 N/A VAL 30.A N LYS 58.A O no hydrogen 3.067 N/A GLY 31.A N TYR 43.A O no hydrogen 2.324 N/A ARG 32.A N THR 56.A O no hydrogen 2.910 N/A ARG 32.A NH1 ASP 70.A OD1 no hydrogen 1.598 N/A ARG 34.A NE LEU 55.A O no hydrogen 3.307 N/A ARG 34.A NH2 ARG 52.A O no hydrogen 3.340 N/A TYR 43.A N GLY 31.A O no hydrogen 2.663 N/A GLY 45.A N ILE 29.A O no hydrogen 2.895 N/A GLN 49.A N GLY 45.A O no hydrogen 3.240 N/A SER 50.A N ASP 46.A O no hydrogen 2.758 N/A SER 50.A OG ASP 46.A O no hydrogen 2.921 N/A LYS 51.A N GLU 47.A O no hydrogen 3.055 N/A ARG 52.A N GLN 49.A O no hydrogen 3.202 N/A ARG 52.A NE GLN 49.A O no hydrogen 2.762 N/A ARG 52.A NH1 THR 192.A O no hydrogen 3.118 N/A ILE 54.A N LYS 51.A O no hydrogen 3.104 N/A LEU 55.A N ARG 52.A O no hydrogen 3.283 N/A THR 56.A N ARG 32.A O no hydrogen 2.636 N/A LYS 58.A N VAL 30.A O no hydrogen 3.003 N/A GLU 62.A N ILE 64.A O no hydrogen 2.824 N/A ILE 64.A N GLU 62.A O no hydrogen 2.821 N/A THR 66.A N PRO 60.A O no hydrogen 2.688 N/A THR 66.A OG1 PRO 60.A O no hydrogen 3.159 N/A ASP 70.A N ASN 67.A OD1 no hydrogen 2.902 N/A MET 71.A N ASN 67.A O no hydrogen 2.986 N/A GLU 72.A N TRP 68.A O no hydrogen 3.061 N/A LYS 73.A N ASP 69.A O no hydrogen 3.255 N/A ILE 74.A N ASP 70.A O no hydrogen 2.983 N/A TRP 75.A N MET 71.A O no hydrogen 3.025 N/A TRP 75.A NE1 ASN 7.A OD1 no hydrogen 2.809 N/A HIS 76.A N GLU 72.A O no hydrogen 2.812 N/A HIS 77.A N LYS 73.A O no hydrogen 2.881 N/A HIS 77.A NE2 GLU 82.A OE2 no hydrogen 2.623 N/A THR 78.A N ILE 74.A O no hydrogen 2.818 N/A THR 78.A OG1 ILE 74.A O no hydrogen 2.792 N/A PHE 79.A N TRP 75.A O no hydrogen 2.832 N/A TYR 80.A N HIS 76.A O no hydrogen 3.011 N/A ASN 81.A N HIS 77.A O no hydrogen 2.917 N/A GLU 82.A N HIS 77.A O no hydrogen 2.861 N/A LEU 83.A N THR 78.A O no hydrogen 2.784 N/A VAL 85.A N PHE 79.A O no hydrogen 2.820 N/A GLU 88.A N GLU 88.A OE1 no hydrogen 2.943 N/A GLU 89.A N ALA 86.A O no hydrogen 2.982 N/A HIS 90.A N PRO 87.A O no hydrogen 3.272 N/A HIS 90.A ND1 GLN 1.A O no hydrogen 2.651 N/A VAL 92.A N ALA 120.A O no hydrogen 2.998 N/A LEU 93.A N LEU 3.A O no hydrogen 2.837 N/A LEU 94.A N TYR 122.A O no hydrogen 2.943 N/A THR 95.A N ILE 5.A O no hydrogen 3.208 N/A THR 95.A OG1 ASP 6.A OD2 no hydrogen 2.805 N/A GLU 96.A N ALA 124.A O no hydrogen 2.971 N/A ASN 100.A ND2 GLU 96.A OE1 no hydrogen 3.026 N/A ASN 104.A ND2 VAL 65.A O no hydrogen 3.293 N/A ARG 105.A N PRO 101.A O no hydrogen 3.255 N/A ARG 105.A NE GLU 96.A OE1 no hydrogen 2.902 N/A ARG 105.A NE GLU 96.A OE2 no hydrogen 3.405 N/A ARG 105.A NH1 VAL 359.A O no hydrogen 3.277 N/A ARG 105.A NH1 CYS 363.A O no hydrogen 3.188 N/A ARG 105.A NH2 GLU 96.A OE2 no hydrogen 2.890 N/A ARG 105.A NH2 CYS 363.A O no hydrogen 2.831 N/A GLU 106.A N LYS 102.A O no hydrogen 3.159 N/A LYS 107.A N ALA 103.A O no hydrogen 2.955 N/A MET 108.A N ASN 104.A O no hydrogen 2.894 N/A THR 109.A N ARG 105.A O no hydrogen 3.224 N/A THR 109.A OG1 ARG 105.A O no hydrogen 2.475 N/A GLN 110.A N GLU 106.A O no hydrogen 2.910 N/A GLN 110.A NE2 GLU 114.A OE1 no hydrogen 3.092 N/A ILE 111.A N LYS 107.A O no hydrogen 2.876 N/A MET 112.A N MET 108.A O no hydrogen 3.156 N/A PHE 113.A N THR 109.A O no hydrogen 3.094 N/A GLU 114.A N GLN 110.A O no hydrogen 2.710 N/A THR 115.A N ILE 111.A O no hydrogen 2.875 N/A PHE 116.A N ILE 111.A O no hydrogen 2.962 N/A THR 118.A N MET 112.A O no hydrogen 2.903 N/A THR 118.A OG1 MET 112.A O no hydrogen 3.220 N/A MET 121.A N ILE 346.A O no hydrogen 2.948 N/A TYR 122.A N VAL 92.A O no hydrogen 3.036 N/A ALA 124.A N LEU 94.A O no hydrogen 2.940 N/A GLN 126.A N GLU 96.A O no hydrogen 3.104 N/A GLN 126.A NE2 THR 95.A OG1 no hydrogen 2.988 N/A LEU 129.A N ILE 125.A O no hydrogen 3.198 N/A SER 130.A N GLN 126.A O no hydrogen 2.996 N/A SER 130.A OG GLN 126.A O no hydrogen 3.403 N/A SER 130.A OG SER 289.A OG no hydrogen 3.133 N/A LEU 131.A N ALA 127.A O no hydrogen 3.021 N/A TYR 132.A N VAL 128.A O no hydrogen 3.061 N/A TYR 132.A OH GLY 157.A O no hydrogen 2.947 N/A ALA 133.A N LEU 129.A O no hydrogen 2.988 N/A SER 134.A N SER 130.A O no hydrogen 3.220 N/A SER 134.A N LEU 131.A O no hydrogen 3.008 N/A SER 134.A OG LEU 131.A O no hydrogen 2.895 N/A GLY 135.A N TYR 132.A O no hydrogen 2.795 N/A ARG 136.A N LEU 131.A O no hydrogen 3.367 N/A ARG 136.A NE ASN 285.A OD1 no hydrogen 2.815 N/A ARG 136.A NH1 SER 134.A OG no hydrogen 3.348 N/A GLY 139.A N ILE 154.A O no hydrogen 2.972 N/A ILE 140.A N ASN 285.A O no hydrogen 3.063 N/A VAL 141.A N VAL 152.A O no hydrogen 3.026 N/A MET 142.A N VAL 287.A O no hydrogen 2.867 N/A ASP 143.A N HIS 150.A O no hydrogen 2.897 N/A SER 144.A N SER 289.A O no hydrogen 2.841 N/A SER 144.A OG SER 149.A OG no hydrogen 2.690 N/A SER 149.A N LEU 167.A O no hydrogen 3.042 N/A SER 149.A OG SER 144.A OG no hydrogen 2.690 N/A SER 149.A OG LEU 169.A O no hydrogen 2.735 N/A HIS 150.A N ASP 143.A O no hydrogen 2.889 N/A THR 151.A N LEU 165.A O no hydrogen 3.027 N/A THR 151.A OG1 LEU 165.A O no hydrogen 3.483 N/A THR 151.A OG1 SER 270.A OG no hydrogen 2.903 N/A VAL 152.A N VAL 141.A O no hydrogen 2.834 N/A ILE 154.A N GLY 139.A O no hydrogen 2.820 N/A TYR 155.A N TYR 158.A O no hydrogen 2.867 N/A GLU 156.A N THR 138.A OG1 no hydrogen 2.771 N/A GLY 157.A N THR 137.A O no hydrogen 2.654 N/A TYR 158.A N TYR 155.A O no hydrogen 3.287 N/A LEU 160.A N PRO 153.A O no hydrogen 2.906 N/A ALA 163.A N LEU 160.A O no hydrogen 2.893 N/A LEU 165.A N THR 151.A O no hydrogen 3.280 N/A ARG 166.A NE ASP 168.A OD2 no hydrogen 2.876 N/A LEU 167.A N SER 149.A O no hydrogen 2.877 N/A ALA 170.A N ASP 173.A OD1 no hydrogen 3.136 N/A GLY 171.A N GLY 145.A O no hydrogen 2.930 N/A ARG 172.A N ASP 146.A O no hydrogen 2.951 N/A LEU 174.A N ALA 170.A O no hydrogen 3.305 N/A LEU 174.A N GLY 171.A O no hydrogen 2.935 N/A THR 175.A N GLY 171.A O no hydrogen 2.943 N/A THR 175.A OG1 GLY 171.A O no hydrogen 3.262 N/A ASP 176.A N ARG 172.A O no hydrogen 2.959 N/A TYR 177.A N ASP 173.A O no hydrogen 3.040 N/A MET 178.A N LEU 174.A O no hydrogen 2.973 N/A MET 179.A N THR 175.A O no hydrogen 3.054 N/A LYS 180.A N ASP 176.A O no hydrogen 3.104 N/A LYS 180.A NZ GLU 184.A OE1 no hydrogen 3.062 N/A ILE 181.A N TYR 177.A O no hydrogen 3.130 N/A LEU 182.A N MET 178.A O no hydrogen 3.086 N/A LEU 182.A N MET 179.A O no hydrogen 3.183 N/A THR 183.A N MET 179.A O no hydrogen 2.864 N/A THR 183.A OG1 MET 179.A O no hydrogen 2.894 N/A GLU 184.A N LYS 180.A O no hydrogen 3.094 N/A ARG 185.A N ILE 181.A O no hydrogen 3.115 N/A ARG 185.A NH2 GLU 242.A OE1 no hydrogen 3.279 N/A GLY 186.A N LEU 182.A O no hydrogen 3.305 N/A GLY 186.A N THR 183.A O no hydrogen 2.975 N/A TYR 187.A N LEU 182.A O no hydrogen 3.010 N/A TYR 187.A OH THR 238.A O no hydrogen 3.166 N/A ALA 194.A N THR 191.A O no hydrogen 3.152 N/A ILE 197.A N ALA 193.A O no hydrogen 2.945 N/A ILE 197.A N ALA 194.A O no hydrogen 3.039 N/A VAL 198.A N ALA 194.A O no hydrogen 2.964 N/A ARG 199.A N ALA 195.A O no hydrogen 2.933 N/A ASP 200.A N ALA 196.A O no hydrogen 3.204 N/A ILE 201.A N ILE 197.A O no hydrogen 2.951 N/A LYS 202.A N VAL 198.A O no hydrogen 2.886 N/A LYS 202.A NZ GLY 171.A O no hydrogen 3.157 N/A LYS 202.A NZ THR 175.A OG1 no hydrogen 2.887 N/A GLU 203.A N ARG 199.A O no hydrogen 2.877 N/A LYS 204.A N ASP 200.A O no hydrogen 2.834 N/A LYS 204.A NZ ASP 200.A OD2 no hydrogen 3.114 N/A LEU 205.A N ILE 201.A O no hydrogen 2.718 N/A ALA 206.A N LYS 202.A O no hydrogen 3.244 N/A TYR 207.A N ARG 243.A O no hydrogen 2.953 N/A TYR 207.A OH GLU 215.A OE1 no hydrogen 2.612 N/A VAL 208.A N PRO 296.A O no hydrogen 2.814 N/A GLU 215.A N ASP 211.A O no hydrogen 3.027 N/A MET 216.A N PHE 212.A O no hydrogen 2.957 N/A GLN 217.A N GLU 213.A O no hydrogen 2.957 N/A THR 218.A N ALA 214.A O no hydrogen 2.887 N/A THR 218.A OG1 ALA 214.A O no hydrogen 3.066 N/A ALA 219.A N GLU 215.A O no hydrogen 3.033 N/A ALA 220.A N MET 216.A O no hydrogen 3.102 N/A SER 223.A OG GLU 226.A OE2 no hydrogen 2.780 N/A ALA 224.A N SER 222.A OG no hydrogen 3.241 N/A GLU 226.A N SER 223.A O no hydrogen 3.107 N/A LYS 227.A N ILE 239.A O no hydrogen 2.828 N/A TYR 229.A N ILE 237.A O no hydrogen 2.873 N/A TYR 229.A OH ASP 200.A OD1 no hydrogen 2.720 N/A LEU 231.A N GLN 235.A O no hydrogen 2.748 N/A GLY 234.A N LEU 231.A O no hydrogen 3.028 N/A GLN 235.A N ASP 233.A OD1 no hydrogen 2.459 N/A GLN 235.A NE2 ASP 233.A OD2 no hydrogen 2.760 N/A ILE 237.A N TYR 229.A O no hydrogen 2.890 N/A THR 238.A N TYR 187.A OH no hydrogen 2.927 N/A ILE 239.A N LYS 227.A O no hydrogen 2.725 N/A GLY 240.A N GLU 242.A OE1 no hydrogen 2.774 N/A ARG 243.A N GLY 240.A O no hydrogen 3.295 N/A ARG 243.A NE LEU 205.A O no hydrogen 2.822 N/A ARG 243.A NH1 LEU 225.A O no hydrogen 2.620 N/A ARG 243.A NH2 LEU 205.A O no hydrogen 3.459 N/A ARG 245.A N ASN 241.A O no hydrogen 2.828 N/A ARG 245.A NE ASN 241.A OD1 no hydrogen 2.933 N/A ARG 245.A NH2 ASN 241.A OD1 no hydrogen 2.951 N/A CYS 246.A N GLU 242.A O no hydrogen 3.147 N/A CYS 246.A SG LEU 174.A O no hydrogen 3.264 N/A GLU 248.A N PHE 244.A O no hydrogen 3.154 N/A ALA 249.A N CYS 246.A O no hydrogen 3.194 N/A LEU 250.A N PRO 247.A O no hydrogen 2.851 N/A GLN 252.A N GLU 248.A O no hydrogen 2.845 N/A GLN 252.A NE2 GLU 248.A OE2 no hydrogen 2.569 N/A PHE 255.A N GLN 252.A O no hydrogen 3.079 N/A LEU 256.A N PRO 253.A O no hydrogen 2.873 N/A GLY 257.A N SER 254.A O no hydrogen 2.588 N/A MET 258.A N PRO 253.A O no hydrogen 3.186 N/A ILE 263.A N LEU 250.A O no hydrogen 3.069 N/A THR 266.A N GLY 262.A O no hydrogen 2.937 N/A THR 266.A OG1 GLY 262.A O no hydrogen 2.749 N/A THR 267.A N ILE 263.A O no hydrogen 3.206 N/A THR 267.A OG1 ILE 263.A O no hydrogen 2.701 N/A TYR 268.A N HIS 264.A O no hydrogen 3.080 N/A ASN 269.A N GLU 265.A O no hydrogen 2.859 N/A SER 270.A N THR 266.A O no hydrogen 2.983 N/A SER 270.A OG THR 151.A OG1 no hydrogen 2.903 N/A SER 270.A OG ALA 163.A O no hydrogen 2.678 N/A ILE 271.A N THR 267.A O no hydrogen 3.055 N/A MET 272.A N TYR 268.A O no hydrogen 2.921 N/A LYS 273.A N ASN 269.A O no hydrogen 3.151 N/A LYS 273.A N SER 270.A O no hydrogen 3.176 N/A CYS 274.A N ILE 271.A O no hydrogen 3.136 N/A CYS 274.A SG SER 270.A O no hydrogen 3.437 N/A ILE 278.A N ASP 275.A O no hydrogen 2.965 N/A ARG 279.A NE CYS 274.A O no hydrogen 2.643 N/A ARG 279.A NH2 CYS 274.A O no hydrogen 2.836 N/A ASP 281.A N ILE 278.A O no hydrogen 2.889 N/A LEU 282.A N ILE 278.A O no hydrogen 3.361 N/A LEU 282.A N ARG 279.A O no hydrogen 3.096 N/A TYR 283.A N ARG 279.A O no hydrogen 3.014 N/A GLY 284.A N LYS 280.A O no hydrogen 3.098 N/A ASN 285.A N LEU 282.A O no hydrogen 3.051 N/A ASN 285.A ND2 ASP 281.A O no hydrogen 2.768 N/A VAL 286.A N LYS 317.A O no hydrogen 2.868 N/A VAL 287.A N ILE 140.A O no hydrogen 2.843 N/A LEU 288.A N ILE 319.A O no hydrogen 2.766 N/A SER 289.A N MET 142.A O no hydrogen 2.905 N/A SER 289.A OG SER 130.A OG no hydrogen 3.133 N/A SER 289.A OG ASP 143.A OD2 no hydrogen 2.692 N/A GLY 290.A N ARG 324.A O no hydrogen 2.956 N/A THR 292.A N SER 144.A O no hydrogen 3.116 N/A THR 292.A OG1 GLY 145.A O no hydrogen 2.575 N/A THR 293.A N GLY 290.A O no hydrogen 3.240 N/A THR 293.A OG1 GLY 290.A O no hydrogen 2.805 N/A MET 294.A N GLY 291.A O no hydrogen 2.980 N/A ILE 298.A N PHE 295.A O no hydrogen 3.265 N/A ARG 301.A N GLY 297.A O no hydrogen 3.057 N/A ARG 301.A NE GLU 305.A OE1 no hydrogen 3.067 N/A ARG 301.A NH1 ALA 209.A O no hydrogen 2.886 N/A ARG 301.A NH1 GLU 248.A OE1 no hydrogen 2.851 N/A ARG 301.A NH1 GLU 248.A OE2 no hydrogen 3.400 N/A ARG 301.A NH2 GLU 248.A OE2 no hydrogen 2.978 N/A MET 302.A N ILE 298.A O no hydrogen 2.992 N/A ASN 303.A N ALA 299.A O no hydrogen 3.015 N/A LYS 304.A N ASP 300.A O no hydrogen 3.069 N/A LYS 304.A NZ LEU 210.A O no hydrogen 3.378 N/A GLU 305.A N ARG 301.A O no hydrogen 2.905 N/A LEU 306.A N MET 302.A O no hydrogen 2.911 N/A THR 307.A N ASN 303.A O no hydrogen 2.916 N/A THR 307.A OG1 ASN 303.A O no hydrogen 2.649 N/A THR 307.A OG1 ASN 303.A OD1 no hydrogen 3.219 N/A ALA 308.A N LYS 304.A O no hydrogen 3.300 N/A LEU 309.A N LEU 306.A O no hydrogen 3.148 N/A ALA 310.A N LEU 306.A O no hydrogen 2.958 N/A MET 314.A N PRO 311.A O no hydrogen 2.934 N/A LYS 317.A N TYR 283.A O no hydrogen 2.937 N/A ILE 319.A N VAL 286.A O no hydrogen 2.626 N/A GLU 323.A N GLU 323.A OE1 no hydrogen 2.615 N/A ARG 324.A N PRO 321.A O no hydrogen 3.104 N/A ARG 324.A NE THR 293.A O no hydrogen 2.694 N/A ARG 324.A NH1 PRO 321.A O no hydrogen 2.838 N/A ARG 324.A NH2 THR 293.A O no hydrogen 2.770 N/A LYS 325.A N GLU 323.A O no hydrogen 2.464 N/A LYS 325.A NZ TYR 326.A OH no hydrogen 3.054 N/A TYR 326.A N GLU 323.A O no hydrogen 2.774 N/A TRP 329.A NE1 VAL 4.A O no hydrogen 3.029 N/A ILE 330.A N TYR 326.A O no hydrogen 2.818 N/A GLY 331.A N SER 327.A O no hydrogen 2.903 N/A GLY 332.A N VAL 328.A O no hydrogen 3.051 N/A SER 333.A N TRP 329.A O no hydrogen 2.754 N/A SER 333.A OG ASP 19.A O no hydrogen 2.628 N/A ILE 334.A N ILE 330.A O no hydrogen 2.967 N/A LEU 335.A N GLY 331.A O no hydrogen 2.973 N/A ALA 336.A N GLY 332.A O no hydrogen 2.885 N/A SER 337.A N SER 333.A O no hydrogen 3.194 N/A SER 337.A N ILE 334.A O no hydrogen 3.071 N/A SER 337.A OG SER 333.A O no hydrogen 2.648 N/A LEU 338.A N LEU 335.A O no hydrogen 3.312 N/A PHE 341.A N LEU 338.A O no hydrogen 3.137 N/A MET 344.A N PHE 341.A O no hydrogen 2.782 N/A TRP 345.A N PHE 341.A O no hydrogen 3.245 N/A ILE 346.A N MET 121.A O no hydrogen 2.832 N/A SER 347.A N GLU 350.A OE2 no hydrogen 2.892 N/A SER 347.A OG GLU 350.A OE2 no hydrogen 3.258 N/A LYS 348.A N PRO 119.A O no hydrogen 2.834 N/A LYS 348.A NZ PHE 113.A O no hydrogen 3.468 N/A LYS 348.A NZ ASP 352.A OD2 no hydrogen 3.505 N/A GLU 350.A N SER 347.A OG no hydrogen 2.989 N/A TYR 351.A N SER 347.A O no hydrogen 2.987 N/A TYR 351.A OH GLU 114.A OE2 no hydrogen 2.824 N/A ASP 352.A N LYS 348.A O no hydrogen 2.804 N/A GLU 353.A N GLU 349.A O no hydrogen 3.165 N/A SER 354.A N GLU 350.A O no hydrogen 2.819 N/A SER 354.A OG GLU 350.A O no hydrogen 3.150 N/A GLY 355.A N TYR 351.A O no hydrogen 2.557 N/A ILE 358.A N GLY 355.A O no hydrogen 3.227 N/A VAL 359.A N PRO 356.A O no hydrogen 3.191 N/A HIS 360.A N SER 357.A O no hydrogen 3.131 N/A HIS 360.A NE2 GLU 106.A OE2 no hydrogen 2.640 N/A ARG 361.A N ILE 358.A O no hydrogen 3.080 N/A LYS 362.A N ILE 358.A O no hydrogen 2.928 N/A LYS 362.A NZ GLU 350.A OE1 no hydrogen 2.711 N/A LYS 362.A NZ GLU 350.A OE2 no hydrogen 3.529 N/A CYS 363.A N VAL 359.A O no hydrogen 2.955 N/A