Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4l1m_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 VAL 27.A O no hydrogen 2.773 N/A GLN 2.A NE2 SER 351.A O no hydrogen 3.093 N/A GLU 3.A N SER 351.A OG no hydrogen 2.731 N/A VAL 4.A N GLN 18.A OE1 no hydrogen 3.270 N/A ILE 5.A N ALA 349.A O no hydrogen 2.847 N/A GLY 6.A N ILE 17.A O no hydrogen 2.890 N/A TRP 7.A N SER 347.A O no hydrogen 3.001 N/A LEU 9.A N ALA 345.A O no hydrogen 2.817 N/A GLY 11.A N TYR 51.A O no hydrogen 2.802 N/A TRP 12.A NE1.B ALA 50.A O no hydrogen 3.119 N/A ILE 17.A N GLY 6.A O no hydrogen 2.757 N/A CYS 19.A N VAL 4.A O no hydrogen 2.749 N/A CYS 19.A SG ILE 17.A O no hydrogen 3.771 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.975 N/A LEU 22.A N CYS 19.A O no hydrogen 2.954 N/A ALA 23.A N CYS 19.A O no hydrogen 3.259 N/A ASN 24.A N GLU 20.A O no hydrogen 3.220 N/A LEU 25.A N LEU 22.A O no hydrogen 3.151 N/A GLY 26.A N ALA 23.A O no hydrogen 3.006 N/A VAL 27.A N GLN 2.A OE1 no hydrogen 2.947 N/A THR 28.A N LEU 40.A O no hydrogen 3.031 N/A THR 28.A OG1 LEU 40.A O no hydrogen 3.408 N/A GLN 29.A NE2 ILE 72.A O no hydrogen 3.173 N/A ALA 31.A N LEU 38.A O no hydrogen 2.977 N/A ALA 33.A N ARG 36.A O no hydrogen 2.787 N/A GLU 34.A N GLY 78.A O no hydrogen 3.044 N/A LYS 35.A NZ GLU 34.A OE1 no hydrogen 3.132 N/A ARG 36.A NH1 THR 48.A OG1 no hydrogen 3.272 N/A PHE 37.A N GLN 49.A O no hydrogen 2.851 N/A LEU 38.A N ALA 31.A O no hydrogen 2.900 N/A ILE 39.A N TYR 47.A O no hydrogen 2.787 N/A LEU 40.A N GLN 29.A O no hydrogen 2.963 N/A SER 41.A N ARG 45.A O no hydrogen 2.853 N/A SER 41.A OG.A ARG 45.A O no hydrogen 2.784 N/A SER 41.A OG.B LEU 25.A O no hydrogen 2.423 N/A SER 41.A OG.B ASN 43.A OD1 no hydrogen 2.959 N/A ARG 42.A N GLY 26.A O no hydrogen 2.766 N/A ARG 42.A NH1 LEU 25.A O no hydrogen 3.032 N/A ARG 42.A NH1 SER 41.A OG.B no hydrogen 3.425 N/A GLY 44.A N SER 41.A O no hydrogen 2.822 N/A ARG 45.A N ASN 43.A OD1 no hydrogen 3.222 N/A TYR 47.A N ILE 39.A O no hydrogen 2.855 N/A THR 48.A N GLN 59.A O no hydrogen 2.736 N/A GLN 49.A N PHE 37.A O no hydrogen 3.038 N/A GLN 49.A NE2 ALA 50.A O no hydrogen 3.280 N/A GLN 49.A NE2 THR 55.A O no hydrogen 3.072 N/A TYR 51.A N LYS 35.A O no hydrogen 3.131 N/A TYR 51.A OH ALA 33.A O no hydrogen 2.598 N/A SER 53.A OG ASP 54.A OD1 no hydrogen 3.534 N/A SER 53.A OG THR 55.A O no hydrogen 3.181 N/A ALA 57.A N GLN 49.A OE1 no hydrogen 2.849 N/A GLN 59.A N THR 48.A O no hydrogen 2.936 N/A GLN 59.A NE2 ALA 57.A O no hydrogen 2.950 N/A VAL 61.A N VAL 46.A O no hydrogen 2.854 N/A ARG 67.A N LEU 64.A O no hydrogen 2.849 N/A ILE 69.A N GLY 44.A O no hydrogen 3.161 N/A VAL 70.A N LEU 84.A O no hydrogen 2.801 N/A LYS 71.A N LEU 84.A O no hydrogen 3.285 N/A LYS 71.A NZ VAL 128.A O no hydrogen 3.012 N/A ALA 73.A N LEU 82.A O no hydrogen 2.889 N/A SER 76.A OG SER 292.A OG no hydrogen 3.288 N/A ASP 77.A N HIS 75.A ND1 no hydrogen 3.115 N/A GLY 78.A N HIS 75.A O no hydrogen 2.827 N/A HIS 80.A NE2 SER 137.A OG no hydrogen 2.893 N/A TYR 81.A N TRP 93.A O no hydrogen 2.965 N/A LEU 82.A N ALA 73.A O no hydrogen 3.029 N/A ALA 83.A N TYR 91.A O no hydrogen 2.990 N/A LEU 84.A N LYS 71.A O no hydrogen 2.829 N/A ALA 85.A N GLU 89.A O no hydrogen 2.939 N/A ALA 86.A N ASN 68.A O no hydrogen 2.874 N/A THR 87.A OG1 GLU 89.A OE1 no hydrogen 2.353 N/A GLY 88.A N ALA 85.A O no hydrogen 2.907 N/A GLU 89.A N GLU 89.A OE1 no hydrogen 2.799 N/A TYR 91.A N ALA 83.A O no hydrogen 2.818 N/A SER 92.A N LYS 113.A O no hydrogen 2.941 N/A SER 92.A OG LEU 101.A O no hydrogen 2.691 N/A TRP 93.A N TYR 81.A O no hydrogen 3.172 N/A GLY 94.A N LEU 109.A O no hydrogen 2.825 N/A CYS 95.A N HIS 79.A O no hydrogen 3.014 N/A GLY 99.A N GLY 96.A O no hydrogen 3.077 N/A ARG 100.A NE ASP 97.A O no hydrogen 2.829 N/A ARG 100.A NH1 ASP 97.A O no hydrogen 3.276 N/A GLY 102.A N GLY 99.A O no hydrogen 3.041 N/A GLY 104.A N ALA 166.A O no hydrogen 2.695 N/A VAL 107.A N ASP 105.A OD1 no hydrogen 3.072 N/A LEU 109.A N GLY 94.A O no hydrogen 2.812 N/A LYS 113.A N SER 92.A O no hydrogen 3.069 N/A ILE 115.A N VAL 90.A O no hydrogen 2.774 N/A PHE 118.A N ILE 115.A O no hydrogen 3.025 N/A SER 119.A N SER 116.A O no hydrogen 3.016 N/A LYS 125.A N GLN 122.A O no hydrogen 3.409 N/A HIS 126.A N ALA 123.A O no hydrogen 2.934 N/A HIS 126.A ND1 ALA 123.A O no hydrogen 2.950 N/A VAL 128.A N ILE 140.A O no hydrogen 2.772 N/A HIS 129.A N ILE 140.A O no hydrogen 3.346 N/A ALA 131.A N ALA 138.A O no hydrogen 3.106 N/A CYS 132.A SG HIS 80.A NE2 no hydrogen 3.798 N/A GLY 133.A N TYR 136.A O no hydrogen 2.845 N/A SER 134.A N GLY 185.A O no hydrogen 3.166 N/A TYR 136.A OH THR 191.A OG1 no hydrogen 2.682 N/A SER 137.A N TRP 149.A O no hydrogen 2.807 N/A SER 137.A OG HIS 80.A NE2 no hydrogen 2.893 N/A SER 137.A OG ARG 100.A O no hydrogen 2.866 N/A ALA 138.A N ALA 131.A O no hydrogen 2.926 N/A ALA 139.A N TYR 147.A O no hydrogen 2.914 N/A ILE 140.A N HIS 129.A O no hydrogen 3.083 N/A THR 141.A N GLU 145.A O no hydrogen 3.034 N/A ALA 142.A N HIS 126.A O no hydrogen 2.811 N/A GLU 143.A N GLY 124.A O no hydrogen 2.803 N/A GLY 144.A N THR 141.A O no hydrogen 3.112 N/A GLU 145.A N THR 141.A OG1 no hydrogen 3.155 N/A TYR 147.A N ALA 139.A O no hydrogen 2.927 N/A TYR 147.A OH GLU 145.A OE1 no hydrogen 2.788 N/A THR 148.A N MET 169.A O no hydrogen 3.063 N/A THR 148.A OG1 LEU 157.A O no hydrogen 2.712 N/A THR 148.A OG1 HIS 159.A NE2 no hydrogen 2.925 N/A TRP 149.A N SER 137.A O no hydrogen 3.012 N/A GLY 150.A N GLU 165.A O no hydrogen 2.647 N/A ARG 151.A N THR 135.A O no hydrogen 3.055 N/A ARG 151.A NH1 ASP 164.A OD2 no hydrogen 2.981 N/A GLY 152.A N ASP 164.A OD1 no hydrogen 2.795 N/A GLY 155.A N GLY 152.A O no hydrogen 2.900 N/A ARG 156.A NE ASN 153.A O no hydrogen 2.897 N/A ARG 156.A NH1 ASN 153.A O no hydrogen 3.252 N/A ARG 156.A NH1 GLY 187.A O no hydrogen 3.257 N/A ARG 156.A NH2 GLY 187.A O no hydrogen 3.184 N/A GLY 158.A N GLY 155.A O no hydrogen 2.986 N/A GLY 160.A N LYS 220.A O no hydrogen 2.724 N/A GLU 163.A N SER 161.A OG no hydrogen 3.193 N/A GLU 165.A N GLY 150.A O no hydrogen 2.888 N/A MET 169.A N THR 148.A O no hydrogen 3.039 N/A VAL 171.A N LEU 146.A O no hydrogen 2.782 N/A LEU 174.A N VAL 171.A O no hydrogen 3.187 N/A LYS 175.A N ALA 172.A O no hydrogen 2.993 N/A LEU 177.A N LEU 174.A O no hydrogen 2.961 N/A VAL 179.A N GLY 144.A O no hydrogen 3.052 N/A ILE 180.A N VAL 194.A O no hydrogen 2.784 N/A ASP 181.A N VAL 194.A O no hydrogen 3.389 N/A ALA 183.A N LEU 192.A O no hydrogen 2.916 N/A GLY 185.A N TYR 136.A OH no hydrogen 3.017 N/A GLY 185.A N GLN 190.A O no hydrogen 3.043 N/A SER 186.A OG ASP 77.A OD2 no hydrogen 2.847 N/A GLN 190.A N GLN 190.A OE1 no hydrogen 2.770 N/A GLN 190.A NE2 PHE 242.A O no hydrogen 2.959 N/A GLN 190.A NE2 SER 243.A OG no hydrogen 3.001 N/A THR 191.A N TRP 203.A O no hydrogen 2.794 N/A THR 191.A OG1 TYR 136.A OH no hydrogen 2.682 N/A THR 191.A OG1 ARG 156.A O no hydrogen 2.762 N/A LEU 192.A N ALA 183.A O no hydrogen 2.960 N/A ALA 193.A N TRP 201.A O no hydrogen 2.905 N/A VAL 194.A N ASP 181.A O no hydrogen 2.932 N/A THR 195.A N GLN 199.A O no hydrogen 2.980 N/A THR 195.A OG1 ASN 197.A OD1 no hydrogen 2.540 N/A THR 195.A OG1 GLN 199.A O no hydrogen 3.224 N/A GLU 196.A N LYS 178.A O no hydrogen 2.753 N/A ASN 197.A ND2 GLN 199.A OE1 no hydrogen 2.979 N/A GLY 198.A N THR 195.A O no hydrogen 2.741 N/A GLN 199.A N ASN 197.A OD1 no hydrogen 3.116 N/A TRP 201.A N ALA 193.A O no hydrogen 2.881 N/A TRP 201.A NE1 THR 195.A OG1 no hydrogen 3.278 N/A SER 202.A N LYS 223.A O no hydrogen 2.869 N/A SER 202.A OG LEU 211.A O no hydrogen 2.669 N/A TRP 203.A N THR 191.A O no hydrogen 3.093 N/A TRP 203.A NE1 ARG 156.A O no hydrogen 3.005 N/A GLY 204.A N CYS 219.A O no hydrogen 2.804 N/A ASP 205.A N ALA 189.A O no hydrogen 2.991 N/A ASP 207.A N ASP 205.A OD2 no hydrogen 2.977 N/A GLY 209.A N GLY 206.A O no hydrogen 3.024 N/A LYS 210.A N ASP 207.A O no hydrogen 3.498 N/A LYS 210.A NZ ASP 188.A O no hydrogen 3.238 N/A LYS 210.A NZ ASP 205.A O no hydrogen 3.318 N/A LYS 210.A NZ ASP 205.A OD2 no hydrogen 2.873 N/A LYS 210.A NZ ASP 207.A O no hydrogen 3.167 N/A LYS 210.A NZ GLN 241.A OE1 no hydrogen 2.943 N/A GLY 212.A N GLY 209.A O no hydrogen 2.952 N/A ARG 213.A NH1 SER 202.A OG no hydrogen 2.791 N/A ARG 213.A NH1 LEU 224.A O no hydrogen 3.106 N/A ARG 213.A NH2 SER 202.A O no hydrogen 3.207 N/A GLY 214.A N ARG 272.A O no hydrogen 2.985 N/A CYS 219.A N GLY 204.A O no hydrogen 2.935 N/A CYS 219.A SG SER 202.A O no hydrogen 3.830 N/A CYS 219.A SG THR 221.A O no hydrogen 3.362 N/A LYS 220.A NZ SER 162.A OG no hydrogen 3.130 N/A LYS 223.A N SER 202.A O no hydrogen 3.056 N/A ILE 225.A N VAL 200.A O no hydrogen 2.892 N/A LEU 228.A N ILE 225.A O no hydrogen 3.131 N/A GLN 229.A N GLU 226.A O no hydrogen 3.217 N/A ASP 230.A N ASP 230.A OD1 no hydrogen 2.514 N/A LEU 231.A N LEU 228.A O no hydrogen 2.947 N/A VAL 234.A N LEU 246.A O no hydrogen 2.829 N/A LYS 235.A N LEU 246.A O no hydrogen 3.406 N/A VAL 236.A N ASP 181.A OD2 no hydrogen 2.917 N/A ARG 237.A N ILE 244.A O no hydrogen 3.035 N/A ARG 237.A NE VAL 288.A O no hydrogen 2.952 N/A ARG 237.A NH2 ASP 287.A OD1 no hydrogen 2.754 N/A GLY 239.A N PHE 242.A O no hydrogen 2.995 N/A SER 240.A N SER 292.A O no hydrogen 2.841 N/A GLN 241.A NE2 SER 186.A O no hydrogen 3.114 N/A GLN 241.A NE2 ASP 188.A O no hydrogen 2.909 N/A PHE 242.A N GLY 239.A O no hydrogen 3.473 N/A SER 243.A N TRP 255.A O no hydrogen 2.765 N/A SER 243.A OG LYS 210.A O no hydrogen 2.966 N/A ILE 244.A N ARG 237.A O no hydrogen 2.857 N/A ALA 245.A N TYR 253.A O no hydrogen 2.904 N/A LEU 246.A N LYS 235.A O no hydrogen 2.932 N/A THR 247.A N GLN 251.A O no hydrogen 2.845 N/A THR 247.A OG1 ASP 249.A OD1 no hydrogen 2.493 N/A THR 247.A OG1 GLN 251.A O no hydrogen 3.434 N/A LYS 248.A N ASP 232.A O no hydrogen 2.772 N/A GLY 250.A N THR 247.A O no hydrogen 3.118 N/A GLN 251.A N THR 247.A OG1 no hydrogen 2.836 N/A TYR 253.A N ALA 245.A O no hydrogen 2.839 N/A SER 254.A N LYS 275.A O no hydrogen 3.056 N/A SER 254.A OG LEU 263.A O no hydrogen 2.684 N/A SER 254.A OG HIS 265.A NE2 no hydrogen 2.874 N/A TRP 255.A N SER 243.A O no hydrogen 3.058 N/A GLY 256.A N VAL 271.A O no hydrogen 2.754 N/A LYS 257.A N GLN 241.A O no hydrogen 2.871 N/A GLY 258.A N HIS 270.A ND1 no hydrogen 3.196 N/A ASN 260.A N GLU 268.A OE2 no hydrogen 3.119 N/A GLN 261.A N GLY 258.A O no hydrogen 3.241 N/A ARG 262.A N ASP 259.A O no hydrogen 3.385 N/A ARG 262.A NE ASP 259.A O no hydrogen 2.817 N/A ARG 262.A NH1 SER 240.A O no hydrogen 2.773 N/A ARG 262.A NH2 ASP 259.A O no hydrogen 3.436 N/A ARG 262.A NH2 ASN 260.A OD1 no hydrogen 2.920 N/A GLY 264.A N GLN 261.A O no hydrogen 3.165 N/A HIS 265.A NE2 SER 254.A O no hydrogen 3.221 N/A VAL 271.A N GLY 256.A O no hydrogen 2.980 N/A ARG 272.A NH1 GLY 215.A O no hydrogen 2.953 N/A LYS 275.A N SER 254.A O no hydrogen 3.299 N/A LEU 277.A N VAL 252.A O no hydrogen 2.900 N/A LEU 280.A N LEU 277.A O no hydrogen 3.203 N/A GLN 281.A N GLU 278.A O no hydrogen 3.010 N/A LYS 283.A N LEU 280.A O no hydrogen 2.925 N/A LYS 283.A NZ GLU 303.A OE1 no hydrogen 3.319 N/A LYS 283.A NZ GLU 303.A OE2 no hydrogen 2.575 N/A VAL 285.A N GLY 250.A O no hydrogen 3.139 N/A ILE 286.A N LEU 298.A O no hydrogen 2.760 N/A ASP 287.A N LEU 298.A O no hydrogen 3.331 N/A ALA 289.A N LEU 296.A O no hydrogen 2.770 N/A GLY 291.A N HIS 294.A O no hydrogen 2.731 N/A SER 292.A OG SER 76.A OG no hydrogen 3.288 N/A SER 292.A OG ASP 77.A OD1 no hydrogen 2.544 N/A HIS 294.A NE2 SER 347.A OG no hydrogen 2.826 N/A CYS 295.A N TRP 307.A O no hydrogen 3.128 N/A LEU 296.A N ALA 289.A O no hydrogen 2.833 N/A ALA 297.A N HIS 305.A O no hydrogen 2.851 N/A LEU 298.A N ASP 287.A O no hydrogen 2.812 N/A THR 299.A N GLU 303.A O no hydrogen 2.986 N/A THR 299.A OG1 ASP 301.A OD1 no hydrogen 2.697 N/A THR 299.A OG1 GLU 303.A O no hydrogen 3.467 N/A GLU 300.A N LYS 284.A O no hydrogen 2.826 N/A SER 302.A N THR 299.A O no hydrogen 2.785 N/A SER 302.A OG ILE 337.A O no hydrogen 3.440 N/A GLU 303.A N THR 299.A OG1 no hydrogen 2.918 N/A HIS 305.A N ALA 297.A O no hydrogen 2.864 N/A HIS 305.A NE2 GLU 303.A OE2 no hydrogen 3.020 N/A SER 306.A N ALA 327.A O no hydrogen 3.276 N/A SER 306.A OG HIS 315.A ND1 no hydrogen 2.655 N/A TRP 307.A N CYS 295.A O no hydrogen 3.339 N/A TRP 307.A NE1 ARG 262.A O no hydrogen 3.029 N/A GLY 308.A N LYS 323.A O no hydrogen 2.867 N/A SER 309.A N THR 293.A O no hydrogen 2.871 N/A ASN 310.A N VAL 321.A O no hydrogen 2.842 N/A ASN 310.A ND2 HIS 315.A O no hydrogen 3.665 N/A ASN 310.A ND2 THR 318.A O no hydrogen 3.059 N/A ASN 310.A ND2 ARG 320.A O no hydrogen 2.828 N/A GLN 312.A N GLN 314.A OE1 no hydrogen 2.939 N/A CYS 313.A N ASN 310.A O no hydrogen 3.489 N/A GLN 314.A N GLN 314.A OE1 no hydrogen 2.551 N/A GLN 314.A NE2 ASP 311.A OD1 no hydrogen 2.803 N/A HIS 315.A N ASN 310.A OD1 no hydrogen 2.992 N/A HIS 315.A ND1 SER 306.A OG no hydrogen 2.655 N/A ARG 320.A N THR 318.A OG1 no hydrogen 3.281 N/A LYS 323.A N GLY 308.A O no hydrogen 2.832 N/A LYS 323.A NZ SER 306.A O no hydrogen 3.211 N/A LYS 323.A NZ SER 306.A OG no hydrogen 2.974 N/A LYS 323.A NZ ASP 317.A OD2 no hydrogen 2.953 N/A LYS 323.A NZ ALA 327.A O no hydrogen 2.972 N/A LEU 329.A N VAL 304.A O no hydrogen 2.840 N/A LYS 335.A N LEU 332.A O no hydrogen 3.305 N/A LYS 335.A NZ GLU 3.A OE1 no hydrogen 2.576 N/A VAL 338.A N TRP 350.A O no hydrogen 2.844 N/A GLY 339.A N TRP 350.A O no hydrogen 3.106 N/A ALA 341.A N PHE 348.A O no hydrogen 2.984 N/A CYS 342.A SG ALA 289.A O no hydrogen 3.371 N/A CYS 342.A SG HIS 294.A NE2 no hydrogen 3.685 N/A GLY 343.A N GLN 346.A O no hydrogen 2.922 N/A ALA 345.A N GLN 346.A OE1 no hydrogen 2.843 N/A GLN 346.A NE2 LEU 9.A O no hydrogen 3.003 N/A SER 347.A N TRP 7.A O no hydrogen 2.971 N/A SER 347.A OG HIS 294.A NE2 no hydrogen 2.826 N/A SER 347.A OG GLN 314.A O no hydrogen 3.483 N/A PHE 348.A N ALA 341.A O no hydrogen 2.837 N/A ALA 349.A N ILE 5.A O no hydrogen 2.887 N/A TRP 350.A N GLY 339.A O no hydrogen 2.948 N/A SER 351.A N GLU 3.A O no hydrogen 2.931 N/A SER 351.A OG GLU 3.A O no hydrogen 3.360 N/A SER 352.A OG SER 357.A OG no hydrogen 3.378 N/A CYS 353.A SG VAL 27.A O no hydrogen 3.906 N/A SER 354.A N SER 352.A OG no hydrogen 3.239 N/A TRP 356.A N SER 354.A OG no hydrogen 3.318 N/A SER 357.A OG SER 352.A OG no hydrogen 3.378 N/A ILE 358.A N SER 354.A O no hydrogen 3.326 N/A