Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3n6v_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N ARG 31.A O no hydrogen 3.240 N/A ILE 3.A N THR 33.A O no hydrogen 3.319 N/A GLY 4.A N ALA 61.A O no hydrogen 3.132 N/A GLY 5.A N HIS 35.A O no hydrogen 2.792 N/A LEU 6.A N PHE 63.A O no hydrogen 2.940 N/A PHE 7.A N ASP 37.A O no hydrogen 2.917 N/A GLN 13.A NE2 GLY 261.A O no hydrogen 3.255 N/A GLU 14.A N GLU 14.A OE1 no hydrogen 2.788 N/A TYR 15.A N ALA 11.A O no hydrogen 2.929 N/A SER 16.A N ASP 12.A O no hydrogen 2.878 N/A SER 16.A OG ASP 12.A O no hydrogen 3.199 N/A SER 16.A OG PRO 260.A O no hydrogen 2.731 N/A ALA 17.A N GLN 13.A O no hydrogen 2.783 N/A PHE 18.A N GLU 14.A O no hydrogen 2.914 N/A ARG 19.A N TYR 15.A O no hydrogen 2.855 N/A ARG 19.A NH1 GLU 258.A O no hydrogen 3.178 N/A ARG 19.A NH2 GLU 258.A O no hydrogen 2.852 N/A VAL 20.A N SER 16.A O no hydrogen 2.840 N/A GLY 21.A N ALA 17.A O no hydrogen 3.081 N/A MET 22.A N PHE 18.A O no hydrogen 2.937 N/A VAL 23.A N ARG 19.A O no hydrogen 3.028 N/A GLN 24.A N VAL 20.A O no hydrogen 3.239 N/A PHE 25.A N GLY 21.A O no hydrogen 3.114 N/A SER 26.A N MET 22.A O no hydrogen 3.205 N/A SER 26.A OG MET 22.A O no hydrogen 2.598 N/A SER 26.A OG VAL 23.A O no hydrogen 3.319 N/A THR 27.A N PHE 30.A O no hydrogen 2.879 N/A THR 27.A OG1 PHE 30.A O no hydrogen 3.567 N/A GLU 29.A N GLU 29.A OE2 no hydrogen 2.658 N/A THR 33.A N ILE 1.A O no hydrogen 3.030 N/A HIS 35.A N ILE 3.A O no hydrogen 2.922 N/A ASP 37.A N GLY 5.A O no hydrogen 2.736 N/A LEU 39.A N PHE 7.A O no hydrogen 2.882 N/A ASN 43.A N GLU 40.A O no hydrogen 3.030 N/A PHE 45.A N ASN 43.A OD1 no hydrogen 3.075 N/A VAL 47.A N ASN 43.A O no hydrogen 2.916 N/A THR 48.A N SER 44.A O no hydrogen 2.971 N/A THR 48.A OG1 SER 44.A O no hydrogen 2.896 N/A ASN 49.A N PHE 45.A O no hydrogen 3.015 N/A ALA 50.A N ALA 46.A O no hydrogen 3.018 N/A PHE 51.A N VAL 47.A O no hydrogen 3.007 N/A CYS 52.A N THR 48.A O no hydrogen 3.146 N/A CYS 52.A SG THR 48.A O no hydrogen 3.280 N/A SER 53.A N ASN 49.A O no hydrogen 2.952 N/A GLN 54.A N ALA 50.A O no hydrogen 3.127 N/A GLN 54.A NE2 HIS 35.A O no hydrogen 3.620 N/A PHE 55.A N PHE 51.A O no hydrogen 2.933 N/A SER 56.A N CYS 52.A O no hydrogen 3.233 N/A SER 56.A OG CYS 52.A O no hydrogen 3.407 N/A SER 56.A OG GLY 299.A O no hydrogen 3.315 N/A ARG 57.A N SER 53.A O no hydrogen 3.102 N/A ARG 57.A NH2 SER 53.A OG no hydrogen 3.409 N/A GLY 58.A N GLN 54.A O no hydrogen 3.064 N/A VAL 59.A N GLN 54.A O no hydrogen 3.262 N/A TYR 60.A N GLN 2.A O no hydrogen 2.921 N/A ILE 62.A N SER 84.A O no hydrogen 2.954 N/A PHE 63.A N GLY 4.A O no hydrogen 2.896 N/A GLY 64.A N ILE 86.A O no hydrogen 2.971 N/A TYR 66.A N SER 89.A OG no hydrogen 2.946 N/A TYR 66.A OH PHE 90.A O no hydrogen 2.401 N/A ASP 67.A N SER 70.A OG no hydrogen 2.940 N/A LYS 69.A N ASP 67.A OD1 no hydrogen 3.411 N/A SER 70.A N ASP 67.A O no hydrogen 2.597 N/A SER 70.A OG VAL 41.A O no hydrogen 2.415 N/A SER 70.A OG ASP 67.A O no hydrogen 3.548 N/A VAL 71.A N ASP 67.A O no hydrogen 2.757 N/A ILE 74.A N SER 70.A O no hydrogen 3.208 N/A THR 75.A N VAL 71.A O no hydrogen 2.955 N/A THR 75.A OG1 VAL 71.A O no hydrogen 3.106 N/A THR 75.A OG1 ASN 72.A O no hydrogen 3.405 N/A SER 76.A N ASN 72.A O no hydrogen 2.928 N/A PHE 77.A N ALA 73.A O no hydrogen 3.304 N/A CYS 78.A N ILE 74.A O no hydrogen 3.030 N/A CYS 78.A SG ILE 74.A O no hydrogen 3.547 N/A GLY 79.A N THR 75.A O no hydrogen 2.768 N/A THR 80.A N SER 76.A O no hydrogen 3.025 N/A THR 80.A OG1 SER 76.A O no hydrogen 2.910 N/A LEU 81.A N PHE 77.A O no hydrogen 2.909 N/A HIS 82.A N CYS 78.A O no hydrogen 2.841 N/A PHE 85.A N PHE 98.A O no hydrogen 2.861 N/A ILE 86.A N ILE 62.A O no hydrogen 2.860 N/A THR 87.A N ILE 100.A O no hydrogen 3.161 N/A THR 87.A OG1 GLY 64.A O no hydrogen 2.903 N/A SER 89.A N THR 87.A OG1 no hydrogen 2.938 N/A SER 89.A OG THR 87.A OG1 no hydrogen 3.120 N/A THR 92.A OG1 HIS 96.A ND1 no hydrogen 2.884 N/A PHE 98.A N GLU 316.A OE2 no hydrogen 3.205 N/A ILE 100.A N PHE 85.A O no hydrogen 2.926 N/A GLN 101.A N GLY 337.A O no hydrogen 2.834 N/A GLN 101.A NE2 THR 92.A OG1 no hydrogen 2.859 N/A MET 102.A N THR 87.A O no hydrogen 2.792 N/A ARG 103.A NE PRO 88.A O no hydrogen 2.863 N/A ARG 103.A NH2 PRO 88.A O no hydrogen 3.198 N/A LYS 107.A NZ SER 133.A OG no hydrogen 2.692 N/A GLY 108.A N ASP 105.A OD2 no hydrogen 3.485 N/A LEU 110.A N LEU 106.A O no hydrogen 2.992 N/A LEU 111.A N LYS 107.A O no hydrogen 3.206 N/A SER 112.A N GLY 108.A O no hydrogen 3.347 N/A SER 112.A OG GLY 108.A O no hydrogen 3.235 N/A SER 112.A OG LYS 365.A O no hydrogen 3.487 N/A LEU 113.A N ALA 109.A O no hydrogen 3.045 N/A ILE 114.A N LEU 110.A O no hydrogen 3.168 N/A GLU 115.A N LEU 111.A O no hydrogen 3.266 N/A TYR 116.A N SER 112.A O no hydrogen 2.743 N/A TYR 117.A N LEU 113.A O no hydrogen 2.918 N/A TYR 117.A OH SER 232.A OG no hydrogen 2.708 N/A TYR 117.A OH GLU 348.A OE2 no hydrogen 3.169 N/A GLN 118.A N GLU 115.A O no hydrogen 2.615 N/A TRP 119.A N ILE 114.A O no hydrogen 2.916 N/A LYS 121.A NZ LYS 177.A O no hydrogen 3.254 N/A LYS 121.A NZ GLU 178.A OE1 no hydrogen 3.047 N/A ALA 123.A N ARG 180.A O no hydrogen 3.088 N/A TYR 124.A N THR 150.A O no hydrogen 3.196 N/A LEU 125.A N ILE 182.A O no hydrogen 2.912 N/A TYR 126.A N ILE 152.A O no hydrogen 3.251 N/A ASP 129.A N ASP 127.A OD1 no hydrogen 3.466 N/A GLY 131.A N SER 128.A O no hydrogen 3.419 N/A THR 134.A OG1 TYR 124.A OH no hydrogen 2.785 N/A THR 134.A OG1 ASP 184.A OD2 no hydrogen 2.892 N/A GLN 136.A N LEU 132.A O no hydrogen 3.354 N/A ALA 137.A N SER 133.A O no hydrogen 3.469 N/A VAL 138.A N THR 134.A O no hydrogen 3.048 N/A LEU 139.A N LEU 135.A O no hydrogen 3.126 N/A ASP 140.A N GLN 136.A O no hydrogen 2.575 N/A SER 141.A N ALA 137.A O no hydrogen 3.299 N/A SER 141.A OG ALA 137.A O no hydrogen 2.844 N/A ALA 142.A N VAL 138.A O no hydrogen 2.863 N/A LYS 145.A N SER 141.A O no hydrogen 2.663 N/A LYS 146.A N ALA 143.A O no hydrogen 3.259 N/A TRP 147.A N ALA 142.A O no hydrogen 2.933 N/A GLN 148.A N ASP 120.A O no hydrogen 2.797 N/A THR 150.A N PHE 122.A O no hydrogen 3.021 N/A THR 150.A OG1 PHE 122.A O no hydrogen 3.523 N/A THR 150.A OG1 GLU 178.A OE2 no hydrogen 3.504 N/A ILE 152.A N TYR 124.A O no hydrogen 3.014 N/A VAL 154.A N TYR 126.A O no hydrogen 2.917 N/A GLY 155.A N ASN 153.A OD1 no hydrogen 3.070 N/A LYS 162.A N ASN 159.A O no hydrogen 3.253 N/A THR 165.A N LYS 161.A O no hydrogen 2.944 N/A THR 165.A OG1 LYS 161.A O no hydrogen 2.902 N/A TYR 166.A N LYS 162.A O no hydrogen 3.268 N/A ARG 167.A N ASP 163.A O no hydrogen 3.318 N/A SER 168.A OG GLU 164.A O no hydrogen 3.323 N/A SER 168.A OG THR 165.A O no hydrogen 3.399 N/A LEU 169.A N TYR 166.A O no hydrogen 3.089 N/A PHE 170.A N ARG 167.A O no hydrogen 3.228 N/A GLU 174.A N PHE 170.A O no hydrogen 3.256 N/A LYS 177.A N GLU 174.A O no hydrogen 2.703 N/A ARG 179.A N GLU 178.A OE1 no hydrogen 3.365 N/A ARG 179.A NH2 GLU 174.A OE2 no hydrogen 2.754 N/A VAL 181.A N HIS 208.A O no hydrogen 2.893 N/A ILE 182.A N ALA 123.A O no hydrogen 2.955 N/A LEU 183.A N ILE 210.A O no hydrogen 2.816 N/A ASP 184.A N LEU 125.A O no hydrogen 2.799 N/A CYS 185.A SG LEU 125.A O no hydrogen 3.957 N/A LYS 189.A NZ GLY 155.A O no hydrogen 3.228 N/A VAL 190.A N GLU 186.A O no hydrogen 2.675 N/A ASN 191.A N ARG 187.A O no hydrogen 2.932 N/A ASN 191.A ND2 ARG 187.A O no hydrogen 2.812 N/A ASP 192.A N ASP 188.A O no hydrogen 3.406 N/A ILE 193.A N LYS 189.A O no hydrogen 2.884 N/A VAL 194.A N VAL 190.A O no hydrogen 2.891 N/A ASP 195.A N ASN 191.A O no hydrogen 2.918 N/A GLN 196.A N ASP 192.A O no hydrogen 3.287 N/A VAL 197.A N ILE 193.A O no hydrogen 2.925 N/A ILE 198.A N VAL 194.A O no hydrogen 3.022 N/A THR 199.A N ASP 195.A O no hydrogen 2.752 N/A THR 199.A OG1 ASP 195.A O no hydrogen 3.047 N/A ILE 200.A N GLN 196.A O no hydrogen 3.042 N/A GLY 201.A N ILE 198.A O no hydrogen 2.720 N/A LYS 202.A N VAL 197.A O no hydrogen 2.837 N/A LYS 202.A NZ GLU 174.A OE1 no hydrogen 3.327 N/A LYS 202.A NZ TYR 207.A OH no hydrogen 3.155 N/A HIS 203.A N HIS 203.A ND1 no hydrogen 2.908 N/A HIS 208.A N ARG 179.A O no hydrogen 3.137 N/A HIS 208.A NE2 SER 232.A OG no hydrogen 2.917 N/A TYR 209.A N ASN 230.A O no hydrogen 2.885 N/A TYR 209.A OH LYS 202.A O no hydrogen 2.657 N/A ILE 210.A N VAL 181.A O no hydrogen 2.849 N/A ILE 211.A N SER 232.A O no hydrogen 2.829 N/A ALA 212.A N LEU 183.A O no hydrogen 2.722 N/A ASN 213.A N ILE 211.A O no hydrogen 2.865 N/A GLY 215.A N ASN 213.A OD1 no hydrogen 2.896 N/A PHE 216.A N PHE 234.A O no hydrogen 2.841 N/A THR 217.A N GLN 235.A OE1 no hydrogen 2.842 N/A THR 217.A OG1 GLN 235.A OE1 no hydrogen 2.904 N/A ASP 218.A N GLY 215.A O no hydrogen 3.287 N/A LYS 223.A N ASP 220.A OD1 no hydrogen 3.125 N/A LYS 223.A NZ ASN 191.A OD1 no hydrogen 3.296 N/A LYS 223.A NZ ASP 195.A OD1 no hydrogen 2.849 N/A ILE 224.A N LEU 221.A O no hydrogen 3.342 N/A GLN 225.A N LEU 222.A O no hydrogen 2.941 N/A GLN 225.A NE2 THR 351.A O no hydrogen 2.938 N/A ASN 230.A N TYR 207.A O no hydrogen 2.845 N/A SER 232.A N TYR 209.A O no hydrogen 2.801 N/A SER 232.A OG TYR 117.A OH no hydrogen 2.708 N/A SER 232.A OG HIS 208.A NE2 no hydrogen 2.917 N/A GLY 233.A N MET 347.A O no hydrogen 3.057 N/A GLN 235.A N ASN 345.A O no hydrogen 3.196 N/A GLN 235.A NE2 VAL 237.A O no hydrogen 3.692 N/A ILE 236.A N LEU 214.A O no hydrogen 3.369 N/A ASP 240.A N ASP 238.A OD1 no hydrogen 3.317 N/A ASP 241.A N ASP 238.A O no hydrogen 3.008 N/A LEU 243.A N ASP 241.A OD2 no hydrogen 3.290 N/A SER 245.A N ASP 241.A O no hydrogen 2.981 N/A SER 245.A OG TYR 239.A O no hydrogen 3.408 N/A SER 245.A OG ASP 241.A O no hydrogen 3.121 N/A LYS 246.A N SER 242.A O no hydrogen 3.146 N/A LYS 246.A NZ SER 242.A OG no hydrogen 3.252 N/A ILE 248.A N VAL 244.A O no hydrogen 2.902 N/A GLU 249.A N SER 245.A O no hydrogen 3.027 N/A TRP 251.A N PHE 247.A O no hydrogen 2.842 N/A TRP 251.A NE1 THR 264.A OG1 no hydrogen 3.186 N/A SER 252.A N ILE 248.A O no hydrogen 2.750 N/A SER 252.A OG ILE 248.A O no hydrogen 2.731 N/A SER 252.A OG GLU 249.A O no hydrogen 3.041 N/A THR 253.A N ARG 250.A O no hydrogen 2.970 N/A THR 253.A OG1 GLU 249.A O no hydrogen 3.521 N/A THR 253.A OG1 ARG 250.A O no hydrogen 2.999 N/A LEU 254.A N TRP 251.A O no hydrogen 3.361 N/A GLU 258.A N GLU 255.A O no hydrogen 2.835 N/A TYR 259.A N GLU 255.A O no hydrogen 2.715 N/A ALA 262.A N TYR 259.A O no hydrogen 3.032 N/A HIS 263.A N TRP 251.A O no hydrogen 2.952 N/A HIS 263.A ND1 LEU 254.A O no hydrogen 2.902 N/A THR 264.A OG1 THR 266.A O no hydrogen 2.608 N/A ILE 267.A N TYR 239.A OH no hydrogen 3.173 N/A LYS 268.A N GLN 13.A OE1 no hydrogen 2.748 N/A TYR 269.A N ASP 218.A OD2 no hydrogen 2.974 N/A THR 270.A OG1 GLU 14.A OE2 no hydrogen 2.750 N/A SER 271.A OG GLN 13.A OE1 no hydrogen 2.765 N/A ALA 272.A N LYS 268.A O no hydrogen 2.755 N/A LEU 273.A N TYR 269.A O no hydrogen 2.761 N/A THR 274.A N THR 270.A O no hydrogen 2.776 N/A THR 274.A OG1 THR 270.A O no hydrogen 2.721 N/A TYR 275.A N SER 271.A O no hydrogen 2.972 N/A TYR 275.A OH GLN 24.A OE1 no hydrogen 2.844 N/A ASP 276.A N ALA 272.A O no hydrogen 2.803 N/A ALA 277.A N LEU 273.A O no hydrogen 2.762 N/A VAL 278.A N THR 274.A O no hydrogen 3.330 N/A VAL 278.A N TYR 275.A O no hydrogen 2.941 N/A GLN 279.A N TYR 275.A O no hydrogen 3.438 N/A GLN 279.A NE2 GLU 325.A O no hydrogen 3.565 N/A VAL 280.A N ASP 276.A O no hydrogen 3.049 N/A MET 281.A N ALA 277.A O no hydrogen 3.071 N/A THR 282.A N VAL 278.A O no hydrogen 3.070 N/A THR 282.A OG1 VAL 278.A O no hydrogen 3.261 N/A GLU 283.A N GLN 279.A O no hydrogen 2.869 N/A ALA 284.A N VAL 280.A O no hydrogen 3.097 N/A PHE 285.A N MET 281.A O no hydrogen 3.145 N/A ARG 286.A N THR 282.A O no hydrogen 3.162 N/A ARG 286.A NH1 GLU 283.A OE1 no hydrogen 3.142 N/A ARG 286.A NH2 GLU 283.A OE1 no hydrogen 3.145 N/A ASN 287.A N GLU 283.A O no hydrogen 2.968 N/A LEU 288.A N PHE 285.A O no hydrogen 3.325 N/A LYS 290.A N ARG 286.A O no hydrogen 3.095 N/A ARG 292.A N ARG 289.A O no hydrogen 2.696 N/A ILE 293.A N LEU 288.A O no hydrogen 2.976 N/A ALA 303.A N ASP 300.A O no hydrogen 3.341 N/A TRP 309.A N LEU 81.A O no hydrogen 3.433 N/A TRP 309.A NE1 GLN 311.A OE1 no hydrogen 2.338 N/A GLY 312.A N TRP 309.A O no hydrogen 3.295 N/A ILE 315.A N GLN 311.A O no hydrogen 3.326 N/A GLU 316.A N GLY 312.A O no hydrogen 3.186 N/A ARG 317.A N VAL 313.A O no hydrogen 2.750 N/A ALA 318.A N GLU 314.A O no hydrogen 2.806 N/A LEU 319.A N ILE 315.A O no hydrogen 3.163 N/A LYS 320.A N GLU 316.A O no hydrogen 3.125 N/A LYS 320.A NZ GLU 316.A OE2 no hydrogen 3.010 N/A LYS 320.A NZ GLN 335.A O no hydrogen 2.797 N/A GLN 321.A N ARG 317.A O no hydrogen 2.946 N/A GLN 323.A NE2 ASN 330.A OD1 no hydrogen 3.145 N/A VAL 324.A N ILE 331.A O no hydrogen 3.275 N/A GLY 326.A N GLY 329.A O no hydrogen 3.013 N/A LEU 327.A N ASP 276.A OD1 no hydrogen 2.858 N/A SER 328.A N ASP 276.A OD2 no hydrogen 3.097 N/A SER 328.A OG ASP 276.A OD2 no hydrogen 2.608 N/A GLY 329.A N GLY 326.A O no hydrogen 2.780 N/A ASN 330.A ND2 ASN 341.A O no hydrogen 3.072 N/A ILE 331.A N VAL 324.A O no hydrogen 2.989 N/A ASP 334.A N LYS 338.A O no hydrogen 3.085 N/A ASN 336.A N ASP 334.A OD1 no hydrogen 2.613 N/A GLY 337.A N ASP 334.A O no hydrogen 3.280 N/A LYS 338.A N ASP 334.A OD1 no hydrogen 3.266 N/A LYS 338.A NZ THR 92.A OG1 no hydrogen 3.365 N/A LYS 338.A NZ GLY 94.A O no hydrogen 3.203 N/A LYS 338.A NZ GLN 101.A OE1 no hydrogen 2.955 N/A LYS 338.A NZ ASN 336.A O no hydrogen 3.557 N/A ARG 339.A NH1 MET 102.A O no hydrogen 3.504 N/A ARG 339.A NH1 SER 328.A OG no hydrogen 2.910 N/A ARG 339.A NH2 SER 328.A O no hydrogen 3.548 N/A ARG 339.A NH2 ASN 330.A O no hydrogen 2.536 N/A ILE 340.A N LYS 332.A O no hydrogen 2.688 N/A ASN 341.A N GLU 362.A OE1 no hydrogen 2.864 N/A TYR 342.A OH ASP 105.A O no hydrogen 3.087 N/A ILE 344.A N TRP 360.A O no hydrogen 3.085 N/A ASN 345.A N GLN 235.A O no hydrogen 3.035 N/A ILE 346.A N GLY 358.A O no hydrogen 2.869 N/A MET 347.A N GLY 233.A O no hydrogen 3.095 N/A GLU 348.A N ARG 355.A O no hydrogen 3.087 N/A LEU 349.A N VAL 231.A O no hydrogen 2.872 N/A LYS 350.A N GLY 353.A O no hydrogen 2.979 N/A LYS 350.A NZ GLU 348.A OE1 no hydrogen 2.834 N/A ARG 355.A N GLU 348.A O no hydrogen 2.672 N/A ARG 355.A NE ASN 352.A OD1 no hydrogen 3.262 N/A ARG 355.A NH2 ASN 352.A OD1 no hydrogen 3.044 N/A LYS 356.A NZ ASN 345.A OD1 no hydrogen 2.898 N/A ILE 357.A N ILE 346.A O no hydrogen 2.863 N/A TRP 360.A N ILE 344.A O no hydrogen 2.864 N/A TRP 360.A NE1 SER 112.A OG no hydrogen 2.621 N/A GLU 362.A N TYR 342.A O no hydrogen 3.426 N/A VAL 363.A N SER 361.A OG no hydrogen 3.094 N/A LEU 370.A N ILE 357.A O no hydrogen 3.206 N/A