Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4y3k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N GLN 3.A O no hydrogen 3.517 N/A LYS 6.A NZ ASP 77.A OD1 no hydrogen 3.088 N/A LYS 6.A NZ GLU 80.A OE1 no hydrogen 2.918 N/A GLN 7.A NE2 GLU 80.A O no hydrogen 2.941 N/A ARG 8.A N GLY 4.A O no hydrogen 3.126 N/A ARG 8.A NH1 GLU 1.A O no hydrogen 2.916 N/A MET 9.A N TRP 5.A O no hydrogen 2.955 N/A ALA 10.A N LYS 6.A O no hydrogen 2.978 N/A ALA 11.A N GLN 7.A O no hydrogen 2.975 N/A LYS 12.A N ARG 8.A O no hydrogen 2.817 N/A GLU 13.A N MET 9.A O no hydrogen 3.061 N/A LEU 14.A N ALA 10.A O no hydrogen 2.927 N/A ALA 15.A N ALA 11.A O no hydrogen 2.870 N/A ARG 16.A N LYS 12.A O no hydrogen 3.124 N/A GLN 17.A N GLU 13.A O no hydrogen 3.199 N/A ASN 18.A N LEU 14.A O no hydrogen 2.853 N/A ASN 18.A ND2 SER 354.A OG no hydrogen 2.941 N/A MET 19.A N ALA 15.A O no hydrogen 3.296 N/A LEU 21.A N GLN 17.A O no hydrogen 3.167 N/A GLY 22.A N ASN 18.A O no hydrogen 2.936 N/A PHE 23.A N MET 19.A O no hydrogen 3.125 N/A LYS 24.A N ASP 20.A O no hydrogen 2.935 N/A LEU 25.A N LEU 21.A O no hydrogen 2.825 N/A LEU 26.A N GLY 22.A O no hydrogen 2.946 N/A LYS 27.A N PHE 23.A O no hydrogen 3.024 N/A LYS 28.A N LYS 24.A O no hydrogen 3.074 N/A LEU 29.A N LEU 25.A O no hydrogen 2.839 N/A ALA 30.A N LEU 26.A O no hydrogen 2.834 N/A PHE 31.A N LYS 27.A O no hydrogen 3.130 N/A TYR 32.A N LYS 28.A O no hydrogen 3.159 N/A ASN 33.A N LEU 29.A O no hydrogen 2.915 N/A ASN 37.A ND2 ASN 363.A O no hydrogen 2.959 N/A ASN 37.A ND2 LYS 367.A O no hydrogen 3.492 N/A ILE 38.A N LYS 360.A O no hydrogen 3.128 N/A LEU 40.A N LEU 358.A O no hydrogen 3.099 N/A SER 41.A N HIS 320.A NE2 no hydrogen 3.091 N/A SER 41.A OG LEU 356.A O no hydrogen 2.667 N/A SER 44.A N SER 41.A OG no hydrogen 3.074 N/A SER 44.A OG ASN 172.A OD1 no hydrogen 2.993 N/A ILE 45.A N SER 41.A O no hydrogen 2.956 N/A SER 46.A N PRO 42.A O no hydrogen 3.080 N/A SER 46.A OG PRO 42.A O no hydrogen 3.071 N/A THR 47.A N LEU 43.A O no hydrogen 3.071 N/A THR 47.A OG1 SER 44.A O no hydrogen 2.729 N/A ALA 48.A N SER 44.A O no hydrogen 3.318 N/A SER 50.A N SER 46.A O no hydrogen 3.022 N/A SER 50.A OG TYR 124.A OH no hydrogen 2.737 N/A MET 51.A N THR 47.A O no hydrogen 2.866 N/A LEU 52.A N ALA 48.A O no hydrogen 3.241 N/A CYS 53.A N SER 50.A O no hydrogen 3.285 N/A CYS 53.A SG PHE 49.A O no hydrogen 3.331 N/A LEU 54.A N MET 51.A O no hydrogen 2.947 N/A GLY 55.A N LEU 52.A O no hydrogen 2.979 N/A SER 59.A OG ASP 303.A OD2 no hydrogen 3.132 N/A THR 60.A N ASP 303.A OD2 no hydrogen 3.174 N/A THR 60.A OG1 LYS 296.A O no hydrogen 3.507 N/A THR 60.A OG1 ASP 303.A OD2 no hydrogen 2.723 N/A LEU 61.A N GLN 57.A O no hydrogen 3.395 N/A ASP 62.A N ASP 58.A O no hydrogen 3.011 N/A GLU 63.A N SER 59.A O no hydrogen 3.161 N/A ILE 64.A N THR 60.A O no hydrogen 3.112 N/A LYS 65.A N LEU 61.A O no hydrogen 3.119 N/A LYS 65.A NZ GLU 75.A OE2 no hydrogen 2.764 N/A GLN 66.A N ASP 62.A O no hydrogen 3.003 N/A GLY 67.A N GLU 63.A O no hydrogen 2.893 N/A PHE 68.A N ILE 64.A O no hydrogen 2.871 N/A ASN 69.A N GLN 66.A O no hydrogen 3.359 N/A PHE 70.A N LYS 65.A O no hydrogen 2.768 N/A LYS 72.A NZ GLN 17.A OE1 no hydrogen 3.390 N/A LEU 78.A N PRO 74.A O no hydrogen 3.065 N/A HIS 79.A N GLU 75.A O no hydrogen 3.149 N/A HIS 79.A ND1 TYR 124.A OH no hydrogen 2.721 N/A GLU 80.A N LYS 76.A O no hydrogen 3.035 N/A GLY 81.A N ASP 77.A O no hydrogen 2.842 N/A PHE 82.A N LEU 78.A O no hydrogen 3.155 N/A HIS 83.A N HIS 79.A O no hydrogen 2.961 N/A TYR 84.A N GLU 80.A O no hydrogen 3.096 N/A ILE 85.A N GLY 81.A O no hydrogen 3.063 N/A ILE 86.A N PHE 82.A O no hydrogen 3.015 N/A HIS 87.A N HIS 83.A O no hydrogen 2.802 N/A GLU 88.A N TYR 84.A O no hydrogen 2.964 N/A LEU 89.A N ILE 85.A O no hydrogen 3.176 N/A THR 90.A N ILE 86.A O no hydrogen 3.089 N/A THR 90.A OG1 ILE 86.A O no hydrogen 2.647 N/A GLN 91.A N LEU 98.A O no hydrogen 3.108 N/A GLN 91.A NE2 GLU 88.A O no hydrogen 3.293 N/A THR 93.A N LEU 96.A O no hydrogen 2.904 N/A THR 93.A OG1 LEU 96.A O no hydrogen 3.086 N/A LEU 96.A N THR 93.A OG1 no hydrogen 3.088 N/A LYS 97.A N ARG 177.A O no hydrogen 2.774 N/A LEU 98.A N GLN 91.A O no hydrogen 2.965 N/A GLY 101.A N TYR 173.A O no hydrogen 2.782 N/A ASN 102.A ND2 THR 47.A OG1 no hydrogen 3.245 N/A THR 103.A N ALA 171.A O no hydrogen 2.859 N/A THR 103.A OG1 GLU 127.A OE2 no hydrogen 2.890 N/A THR 103.A OG1 TYR 173.A OH no hydrogen 2.648 N/A LEU 104.A N GLU 127.A O no hydrogen 2.901 N/A PHE 105.A N LEU 169.A O no hydrogen 2.779 N/A ILE 106.A N ILE 129.A O no hydrogen 3.227 N/A ASP 107.A N VAL 167.A O no hydrogen 2.783 N/A GLN 108.A N THR 131.A O no hydrogen 2.756 N/A ARG 109.A N ASP 107.A OD2 no hydrogen 3.103 N/A LEU 110.A N ASP 107.A O no hydrogen 3.084 N/A GLN 113.A N ILE 307.A O no hydrogen 2.754 N/A GLN 113.A NE2 GLN 111.A O no hydrogen 3.114 N/A ARG 114.A NE GLU 118.A OE1 no hydrogen 3.456 N/A ARG 114.A NE GLU 118.A OE2 no hydrogen 2.745 N/A ARG 114.A NH2 GLU 118.A OE2 no hydrogen 3.487 N/A LEU 117.A N GLN 113.A O no hydrogen 3.153 N/A GLU 118.A N ARG 114.A O no hydrogen 2.867 N/A ASP 119.A N LYS 115.A O no hydrogen 3.016 N/A ALA 120.A N PHE 116.A O no hydrogen 2.988 N/A LYS 121.A N LEU 117.A O no hydrogen 3.129 N/A ASN 122.A N GLU 118.A O no hydrogen 2.864 N/A PHE 123.A N ASP 119.A O no hydrogen 2.850 N/A TYR 124.A N ALA 120.A O no hydrogen 2.989 N/A TYR 124.A OH SER 50.A OG no hydrogen 2.737 N/A TYR 124.A OH HIS 79.A ND1 no hydrogen 2.721 N/A SER 125.A N LYS 121.A O no hydrogen 2.789 N/A ALA 126.A N ALA 120.A O no hydrogen 3.170 N/A GLU 127.A N ASN 102.A O no hydrogen 3.069 N/A ILE 129.A N LEU 104.A O no hydrogen 2.837 N/A THR 131.A N ILE 106.A O no hydrogen 2.861 N/A THR 131.A OG1 ILE 129.A O no hydrogen 3.358 N/A THR 131.A OG1 GLN 142.A OE1 no hydrogen 3.527 N/A PHE 133.A N ASP 107.A OD1 no hydrogen 3.275 N/A GLN 134.A N ASN 132.A OD1 no hydrogen 3.405 N/A ASN 135.A N ASN 132.A O no hydrogen 3.495 N/A MET 138.A N ASN 135.A OD1 no hydrogen 3.402 N/A ALA 139.A N ASN 135.A O no hydrogen 2.935 N/A GLN 140.A N LEU 136.A O no hydrogen 3.146 N/A LYS 141.A N GLU 137.A O no hydrogen 3.138 N/A GLN 142.A N MET 138.A O no hydrogen 2.904 N/A ILE 143.A N ALA 139.A O no hydrogen 2.943 N/A ASN 144.A N GLN 140.A O no hydrogen 2.942 N/A ASN 144.A ND2 ILE 159.A O no hydrogen 2.833 N/A ASP 145.A N LYS 141.A O no hydrogen 3.150 N/A PHE 146.A N GLN 142.A O no hydrogen 3.069 N/A ILE 147.A N ILE 143.A O no hydrogen 3.145 N/A SER 148.A N ASN 144.A O no hydrogen 3.093 N/A SER 148.A OG ASN 144.A O no hydrogen 3.053 N/A SER 148.A OG ILE 155.A O no hydrogen 3.374 N/A SER 148.A OG ASN 156.A OD1 no hydrogen 2.740 N/A GLN 149.A N ASP 145.A O no hydrogen 3.016 N/A GLN 149.A NE2 ASP 145.A OD1.A no hydrogen 3.237 N/A LYS 150.A N PHE 146.A O no hydrogen 2.962 N/A LYS 150.A NZ GLU 127.A OE1 no hydrogen 3.484 N/A LYS 150.A NZ GLU 127.A OE2 no hydrogen 3.026 N/A THR 151.A N ILE 147.A O no hydrogen 2.887 N/A THR 151.A OG1 ILE 147.A O no hydrogen 2.770 N/A THR 151.A OG1 SER 148.A O no hydrogen 3.568 N/A THR 151.A OG1 ILE 155.A O no hydrogen 3.542 N/A HIS 152.A N GLN 149.A O no hydrogen 3.214 N/A GLY 153.A N SER 148.A O no hydrogen 2.775 N/A LYS 154.A N THR 151.A O no hydrogen 3.282 N/A ILE 155.A N THR 151.A OG1 no hydrogen 2.880 N/A ASN 156.A ND2 GLY 153.A O no hydrogen 2.795 N/A ILE 159.A N ASN 144.A OD1 no hydrogen 2.764 N/A THR 166.A N ASP 163.A O no hydrogen 3.333 N/A THR 166.A OG1 ASP 163.A O no hydrogen 2.866 N/A LEU 169.A N PHE 105.A O no hydrogen 2.801 N/A LEU 170.A N GLU 317.A O no hydrogen 2.824 N/A ALA 171.A N THR 103.A O no hydrogen 2.841 N/A ASN 172.A N VAL 319.A O no hydrogen 2.951 N/A ASN 172.A ND2 SER 44.A O no hydrogen 2.982 N/A ASN 172.A ND2 ASN 102.A OD1 no hydrogen 2.779 N/A TYR 173.A N GLY 101.A O no hydrogen 2.997 N/A TYR 173.A OH THR 103.A OG1 no hydrogen 2.648 N/A ILE 174.A N LYS 321.A O no hydrogen 3.018 N/A PHE 175.A N SER 99.A O no hydrogen 3.431 N/A PHE 176.A N GLU 323.A O no hydrogen 3.075 N/A ARG 177.A N LYS 97.A O no hydrogen 2.923 N/A ARG 177.A NH1 PHE 176.A O no hydrogen 2.744 N/A ARG 177.A NH1 GLU 323.A OE1 no hydrogen 2.782 N/A ARG 177.A NH1 GLU 323.A OE2 no hydrogen 3.423 N/A ARG 177.A NH2 GLU 323.A OE1 no hydrogen 3.523 N/A ARG 177.A NH2 GLU 323.A OE2 no hydrogen 2.709 N/A ARG 179.A N ASP 95.A O no hydrogen 2.885 N/A TRP 180.A N ARG 329.A O no hydrogen 3.071 N/A TRP 180.A NE1 ASP 327.A O no hydrogen 2.785 N/A LYS 181.A N PRO 229.A O no hydrogen 2.950 N/A GLU 183.A N THR 331.A O no hydrogen 3.371 N/A PHE 184.A N GLU 328.A O no hydrogen 2.965 N/A ASN 187.A ND2 ASP 185.A OD1 no hydrogen 2.957 N/A ASN 187.A ND2 ASP 185.A OD2 no hydrogen 3.358 N/A VAL 188.A N ASP 185.A O no hydrogen 3.010 N/A THR 189.A N PRO 186.A O no hydrogen 3.117 N/A THR 189.A OG1 GLU 328.A OE2 no hydrogen 2.695 N/A LYS 190.A N MET 206.A O no hydrogen 3.003 N/A LYS 190.A NZ VAL 188.A O no hydrogen 3.268 N/A GLU 192.A N VAL 204.A O no hydrogen 2.799 N/A PHE 194.A N VAL 202.A O no hydrogen 2.844 N/A PHE 195.A N ASP 340.A O no hydrogen 2.863 N/A GLU 197.A N SER 200.A O no hydrogen 3.142 N/A LYS 198.A NZ GLU 243.A OE1 no hydrogen 3.278 N/A VAL 202.A N PHE 194.A O no hydrogen 3.002 N/A LYS 203.A NZ ASP 193.A OD1 no hydrogen 3.460 N/A VAL 204.A N GLU 192.A O no hydrogen 2.771 N/A MET 206.A N LYS 190.A O no hydrogen 2.795 N/A MET 207.A N VAL 274.A O no hydrogen 2.788 N/A ARG 209.A N VAL 272.A O no hydrogen 3.069 N/A ARG 209.A NH1 TYR 213.A OH no hydrogen 2.778 N/A SER 210.A OG ASP 271.A OD1 no hydrogen 2.669 N/A GLY 211.A N VAL 270.A O no hydrogen 3.278 N/A TYR 213.A N ARG 268.A O no hydrogen 2.809 N/A VAL 215.A N SER 266.A O no hydrogen 2.893 N/A GLY 216.A N ILE 225.A O no hydrogen 2.974 N/A TYR 217.A OH ASP 242.A OD2 no hydrogen 2.688 N/A ASP 218.A N CYS 223.A O no hydrogen 2.796 N/A LYS 220.A N ASP 218.A OD1 no hydrogen 3.049 N/A LEU 221.A N ASP 218.A OD1 no hydrogen 3.120 N/A CYS 223.A N ASP 218.A O no hydrogen 2.969 N/A THR 224.A N LEU 240.A O no hydrogen 2.962 N/A ILE 225.A N GLY 216.A O no hydrogen 2.816 N/A LEU 226.A N PHE 238.A O no hydrogen 3.054 N/A GLU 227.A N GLN 214.A O no hydrogen 2.938 N/A ILE 228.A N ALA 236.A O no hydrogen 2.893 N/A TYR 230.A N ILE 234.A O no hydrogen 2.946 N/A GLN 231.A N ARG 179.A O no hydrogen 2.785 N/A ILE 234.A N LYS 232.A O no hydrogen 2.713 N/A THR 235.A N TYR 348.A O no hydrogen 2.847 N/A THR 235.A OG1 GLU 350.A OE1 no hydrogen 2.813 N/A ALA 236.A N ILE 228.A O no hydrogen 2.862 N/A ILE 237.A N LEU 346.A O no hydrogen 2.875 N/A PHE 238.A N LEU 226.A O no hydrogen 2.755 N/A ILE 239.A N LEU 344.A O no hydrogen 2.856 N/A LEU 240.A N THR 224.A O no hydrogen 2.873 N/A ASP 242.A N SER 222.A O no hydrogen 3.036 N/A LYS 245.A N ASP 242.A O no hydrogen 2.829 N/A HIS 248.A NE2 LYS 220.A O no hydrogen 2.805 N/A LEU 249.A N LYS 245.A O no hydrogen 3.102 N/A GLU 250.A N LEU 246.A O no hydrogen 3.139 N/A LYS 251.A N LYS 247.A O no hydrogen 2.865 N/A GLY 252.A N HIS 248.A O no hydrogen 2.933 N/A GLY 252.A N LEU 249.A O no hydrogen 3.235 N/A LEU 253.A N LEU 249.A O no hydrogen 3.115 N/A GLN 254.A N THR 257.A OG1 no hydrogen 3.233 N/A THR 257.A OG1 GLN 254.A O no hydrogen 3.348 N/A SER 259.A OG.A ASP 256.A O no hydrogen 2.832 N/A SER 259.A OG.B ASP 256.A O no hydrogen 2.832 N/A ARG 260.A N ASP 256.A O no hydrogen 3.198 N/A ARG 260.A NH1 ASP 218.A OD1 no hydrogen 2.937 N/A ARG 260.A NH2 ASP 218.A OD1 no hydrogen 3.105 N/A TRP 261.A N THR 257.A O no hydrogen 2.930 N/A TRP 261.A NE1 ASP 218.A OD2 no hydrogen 2.679 N/A LYS 262.A N PHE 258.A O no hydrogen 3.154 N/A THR 263.A N ARG 260.A O no hydrogen 3.222 N/A LEU 264.A N TRP 261.A O no hydrogen 2.890 N/A LEU 265.A N TRP 261.A O no hydrogen 2.911 N/A SER 266.A N VAL 215.A O no hydrogen 2.996 N/A ARG 268.A N TYR 213.A O no hydrogen 2.879 N/A VAL 270.A N GLY 211.A O no hydrogen 2.803 N/A ASP 271.A N LEU 335.A O no hydrogen 2.746 N/A VAL 272.A N ARG 209.A O no hydrogen 2.874 N/A SER 273.A N VAL 337.A O no hydrogen 3.085 N/A VAL 274.A N MET 207.A O no hydrogen 2.932 N/A ARG 276.A N PRO 205.A O no hydrogen 3.069 N/A ARG 276.A NH1 GLU 328.A OE2 no hydrogen 2.749 N/A LEU 277.A N MET 326.A O no hydrogen 2.888 N/A HIS 278.A NE2 GLU 323.A OE2 no hydrogen 2.773 N/A MET 279.A N LEU 324.A O no hydrogen 2.933 N/A GLY 281.A N ALA 322.A O no hydrogen 3.027 N/A PHE 283.A N HIS 320.A O no hydrogen 2.809 N/A LEU 285.A N ALA 318.A O no hydrogen 2.839 N/A LYS 286.A N ASP 284.A OD1 no hydrogen 3.182 N/A LYS 286.A NZ GLY 316.A O no hydrogen 2.936 N/A THR 288.A N ASP 284.A O no hydrogen 3.067 N/A THR 288.A OG1 ASP 284.A O no hydrogen 3.093 N/A LEU 289.A N LEU 285.A O no hydrogen 3.020 N/A SER 290.A N LYS 287.A O no hydrogen 3.052 N/A SER 290.A OG LYS 287.A O no hydrogen 2.622 N/A TYR 291.A N THR 288.A O no hydrogen 3.102 N/A ILE 292.A N LEU 289.A O no hydrogen 3.228 N/A GLY 293.A N SER 290.A O no hydrogen 3.411 N/A VAL 294.A N LEU 289.A O no hydrogen 3.058 N/A SER 295.A N GLU 63.A OE1 no hydrogen 2.787 N/A LYS 296.A N GLU 63.A OE1 no hydrogen 2.920 N/A PHE 298.A N SER 295.A O no hydrogen 3.032 N/A GLU 299.A N LYS 296.A O no hydrogen 3.085 N/A HIS 301.A NE2 GLU 299.A OE1 no hydrogen 2.723 N/A ILE 307.A N LEU 304.A O no hydrogen 3.112 N/A ALA 308.A N LEU 304.A O no hydrogen 3.441 N/A SER 312.A OG HIS 310.A ND1.B no hydrogen 3.263 N/A LEU 313.A N HIS 310.A O no hydrogen 3.157 N/A VAL 315.A N ILE 297.A O no hydrogen 2.908 N/A GLY 316.A N MET 168.A O no hydrogen 2.796 N/A GLU 317.A N MET 168.A O no hydrogen 3.460 N/A VAL 319.A N LEU 170.A O no hydrogen 3.014 N/A HIS 320.A N PHE 283.A O no hydrogen 2.812 N/A HIS 320.A ND1 ASN 172.A OD1 no hydrogen 2.774 N/A LYS 321.A N ASN 172.A O no hydrogen 2.909 N/A LYS 321.A NZ ASN 156.A O no hydrogen 2.680 N/A ALA 322.A N GLY 281.A O no hydrogen 2.984 N/A GLU 323.A N ILE 174.A O no hydrogen 2.822 N/A LEU 324.A N MET 279.A O no hydrogen 2.898 N/A MET 326.A N LEU 277.A O no hydrogen 2.708 N/A GLU 328.A N GLU 328.A OE1 no hydrogen 2.877 N/A ARG 329.A N ASP 327.A OD1 no hydrogen 3.332 N/A ARG 329.A NE ASP 327.A OD1 no hydrogen 2.802 N/A ARG 329.A NH2 ASP 327.A OD2 no hydrogen 2.939 N/A THR 331.A N TRP 180.A O no hydrogen 2.969 N/A THR 331.A OG1 GLN 231.A OE1 no hydrogen 2.981 N/A LEU 335.A N VAL 269.A O no hydrogen 2.812 N/A VAL 337.A N ASP 271.A O no hydrogen 3.081 N/A ILE 339.A N SER 273.A O no hydrogen 3.036 N/A LYS 341.A NZ PRO 241.A O no hydrogen 3.111 N/A TYR 343.A N ILE 361.A O no hydrogen 3.061 N/A LEU 344.A N ILE 239.A O no hydrogen 2.957 N/A LEU 345.A N GLY 359.A O no hydrogen 2.865 N/A LEU 346.A N ILE 237.A O no hydrogen 2.945 N/A ILE 347.A N PHE 357.A O no hydrogen 2.877 N/A TYR 348.A N THR 235.A O no hydrogen 2.968 N/A SER 349.A N SER 354.A O no hydrogen 2.766 N/A GLU 350.A N ASN 233.A O no hydrogen 2.911 N/A LYS 351.A NZ GLU 88.A OE1 no hydrogen 3.436 N/A VAL 355.A N ASN 18.A OD1 no hydrogen 3.393 N/A LEU 356.A N ILE 347.A O no hydrogen 2.792 N/A PHE 357.A N ILE 347.A O no hydrogen 3.383 N/A LEU 358.A N LEU 40.A O no hydrogen 2.991 N/A GLY 359.A N LEU 345.A O no hydrogen 2.818 N/A LYS 360.A N ILE 38.A O no hydrogen 2.845 N/A LYS 360.A NZ GLU 250.A OE2 no hydrogen 2.927 N/A ILE 361.A N TYR 343.A O no hydrogen 2.780 N/A VAL 362.A N ASN 37.A OD1 no hydrogen 2.793 N/A ASN 363.A N ASN 37.A OD1 no hydrogen 3.090 N/A ILE 365.A N ASN 363.A OD1 no hydrogen 2.956 N/A GLY 366.A N ASN 363.A O no hydrogen 3.342 N/A