Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N SER 1.A OG no hydrogen 2.785 N/A VAL 4.A N TYR 260.A O no hydrogen 2.674 N/A SER 6.A OG HIS 308.A NE2 no hydrogen 2.957 N/A ARG 7.A NH1 SER 6.A O no hydrogen 3.154 N/A ALA 8.A N TYR 181.A OH no hydrogen 3.079 N/A ARG 9.A NH1 GLU 316.A OE1 no hydrogen 3.543 N/A ARG 9.A NH1 GLU 316.A OE2 no hydrogen 3.091 N/A ARG 9.A NH2 ARG 311.A O no hydrogen 2.818 N/A ARG 9.A NH2 GLU 316.A OE1 no hydrogen 2.874 N/A TYR 11.A OH ASP 144.A OD1 no hydrogen 2.573 N/A THR 12.A OG1 ALA 8.A O no hydrogen 2.689 N/A ASN 15.A ND2 GLY 150.A O no hydrogen 3.059 N/A ASN 15.A ND2 TYR 181.A O no hydrogen 2.740 N/A HIS 17.A N ASP 13.A O no hydrogen 3.217 N/A ARG 18.A N ASN 15.A O no hydrogen 3.157 N/A ARG 20.A NH1 ASP 24.A OD2 no hydrogen 2.866 N/A TYR 22.A N PRO 19.A O no hydrogen 3.006 N/A TYR 22.A OH MET 149.A O no hydrogen 2.843 N/A TRP 23.A N ARG 20.A O no hydrogen 3.089 N/A TRP 23.A NE1 ARG 18.A O no hydrogen 3.126 N/A ASP 24.A N ARG 20.A O no hydrogen 2.763 N/A GLU 26.A N GLU 26.A OE2 no hydrogen 3.049 N/A SER 27.A N ASP 24.A O no hydrogen 3.144 N/A HIS 28.A N TYR 25.A O no hydrogen 3.317 N/A HIS 28.A ND1 GLU 21.A OE1 no hydrogen 3.028 N/A GLY 33.A N ILE 99.A O no hydrogen 2.830 N/A GLN 35.A N LYS 101.A O no hydrogen 3.249 N/A TYR 38.A N GLN 35.A O no hydrogen 2.835 N/A TYR 38.A OH ASP 98.A OD2 no hydrogen 2.813 N/A GLN 39.A N ILE 56.A O no hydrogen 2.823 N/A VAL 41.A N GLU 54.A O no hydrogen 2.728 N/A ARG 42.A N GLU 54.A O no hydrogen 3.274 N/A LEU 44.A N VAL 52.A O no hydrogen 2.681 N/A GLY 47.A N SER 50.A O no hydrogen 2.887 N/A GLU 51.A N ILE 68.A O no hydrogen 3.077 N/A VAL 52.A N GLY 45.A O no hydrogen 2.780 N/A PHE 53.A N VAL 66.A O no hydrogen 2.793 N/A GLU 54.A N ARG 42.A O no hydrogen 2.839 N/A ALA 55.A N VAL 64.A O no hydrogen 2.741 N/A ILE 56.A N GLN 39.A O no hydrogen 2.700 N/A ASN 57.A N GLU 62.A O no hydrogen 3.051 N/A ILE 58.A N ASP 37.A O no hydrogen 3.160 N/A THR 59.A OG1 ASN 57.A OD1 no hydrogen 3.368 N/A ASN 60.A N ASN 57.A O no hydrogen 3.304 N/A ASN 61.A N ASN 57.A O no hydrogen 2.726 N/A VAL 64.A N ALA 55.A O no hydrogen 2.885 N/A VAL 65.A N PHE 112.A O no hydrogen 2.926 N/A VAL 66.A N PHE 53.A O no hydrogen 2.672 N/A LYS 67.A N LEU 110.A O no hydrogen 2.924 N/A LYS 67.A NZ GLU 80.A OE1 no hydrogen 3.441 N/A LYS 67.A NZ GLU 80.A OE2 no hydrogen 2.739 N/A ILE 68.A N GLU 51.A O no hydrogen 2.847 N/A LEU 69.A N PRO 108.A O no hydrogen 2.910 N/A LYS 70.A NZ SER 50.A O no hydrogen 3.234 N/A LYS 76.A N LYS 73.A O no hydrogen 3.104 N/A ILE 77.A N LYS 73.A O no hydrogen 3.247 N/A LYS 78.A N LYS 74.A O no hydrogen 2.987 N/A LYS 78.A NZ GLU 26.A O no hydrogen 3.427 N/A LYS 78.A NZ HIS 28.A O no hydrogen 3.283 N/A ARG 79.A N LYS 75.A O no hydrogen 3.226 N/A ARG 79.A NE GLU 179.A OE1 no hydrogen 3.142 N/A ARG 79.A NH2 GLU 179.A OE1 no hydrogen 2.991 N/A GLU 80.A N LYS 76.A O no hydrogen 3.142 N/A ILE 81.A N ILE 77.A O no hydrogen 3.140 N/A LYS 82.A N LYS 78.A O no hydrogen 2.939 N/A LYS 82.A NZ GLU 21.A O no hydrogen 2.636 N/A LYS 82.A NZ GLU 21.A OE1 no hydrogen 3.186 N/A ILE 83.A N ARG 79.A O no hydrogen 3.066 N/A LEU 84.A N GLU 80.A O no hydrogen 3.016 N/A GLU 85.A N ILE 81.A O no hydrogen 2.909 N/A ASN 86.A N LYS 82.A O no hydrogen 3.054 N/A ASN 86.A ND2 TYR 22.A O no hydrogen 2.901 N/A LEU 87.A N ILE 83.A O no hydrogen 3.088 N/A ARG 88.A NH1 LEU 96.A O no hydrogen 2.896 N/A GLY 90.A N LEU 87.A O no hydrogen 2.962 N/A ASN 92.A ND2 GLU 138.A OE1 no hydrogen 3.145 N/A ILE 94.A N LEU 172.A O no hydrogen 3.318 N/A THR 95.A N GLU 113.A OE2 no hydrogen 3.061 N/A THR 95.A OG1 GLU 113.A OE2 no hydrogen 3.026 N/A ALA 97.A N VAL 111.A O no hydrogen 2.640 N/A ASP 98.A N VAL 111.A O no hydrogen 3.262 N/A VAL 100.A N ALA 109.A O no hydrogen 2.872 N/A LYS 101.A N GLY 33.A O no hydrogen 3.330 N/A ASP 102.A N THR 107.A O no hydrogen 3.106 N/A SER 105.A N ASP 102.A OD2 no hydrogen 2.684 N/A SER 105.A OG ASP 102.A OD2 no hydrogen 2.764 N/A SER 105.A OG THR 107.A OG1 no hydrogen 2.874 N/A ARG 106.A N ASP 102.A O no hydrogen 3.082 N/A THR 107.A OG1 SER 105.A OG no hydrogen 2.874 N/A ALA 109.A N VAL 100.A O no hydrogen 2.771 N/A LEU 110.A N LYS 67.A O no hydrogen 3.075 N/A VAL 111.A N ASP 98.A O no hydrogen 2.914 N/A PHE 112.A N VAL 65.A O no hydrogen 2.742 N/A GLU 113.A N THR 95.A O no hydrogen 3.051 N/A THR 118.A N ILE 163.A O no hydrogen 3.344 N/A GLN 122.A N ASP 119.A O no hydrogen 2.839 N/A LEU 123.A N ASP 119.A O no hydrogen 3.040 N/A TYR 124.A N PHE 120.A O no hydrogen 2.955 N/A THR 126.A N LEU 123.A O no hydrogen 3.052 N/A LEU 127.A N TYR 124.A O no hydrogen 3.060 N/A THR 128.A N ASP 131.A OD2 no hydrogen 3.249 N/A TYR 130.A OH VAL 326.A O no hydrogen 2.684 N/A ASP 131.A N THR 128.A OG1 no hydrogen 3.152 N/A ILE 132.A N THR 128.A O no hydrogen 3.182 N/A ARG 133.A N ASP 129.A O no hydrogen 3.314 N/A ARG 133.A NE ASP 129.A OD1 no hydrogen 2.637 N/A ARG 133.A NH1 TYR 322.A O no hydrogen 2.801 N/A ARG 133.A NH2 ASP 129.A OD1 no hydrogen 2.946 N/A ARG 133.A NH2 ASP 129.A OD2 no hydrogen 2.754 N/A PHE 134.A N TYR 130.A O no hydrogen 2.813 N/A TYR 135.A N ASP 131.A O no hydrogen 2.841 N/A MET 136.A N ILE 132.A O no hydrogen 2.997 N/A TYR 137.A N ARG 133.A O no hydrogen 3.058 N/A GLU 138.A N PHE 134.A O no hydrogen 3.159 N/A ILE 139.A N TYR 135.A O no hydrogen 3.048 N/A LEU 140.A N MET 136.A O no hydrogen 3.070 N/A LYS 141.A N TYR 137.A O no hydrogen 3.001 N/A LYS 141.A NZ GLU 138.A OE2 no hydrogen 3.084 N/A ALA 142.A N GLU 138.A O no hydrogen 3.445 N/A LEU 143.A N ILE 139.A O no hydrogen 2.997 N/A ASP 144.A N LEU 140.A O no hydrogen 2.735 N/A TYR 145.A N LYS 141.A O no hydrogen 3.078 N/A CYS 146.A N ALA 142.A O no hydrogen 3.182 N/A CYS 146.A SG ALA 142.A O no hydrogen 3.467 N/A CYS 146.A SG LEU 143.A O no hydrogen 3.465 N/A CYS 146.A SG ILE 151.A O no hydrogen 3.562 N/A HIS 147.A N LEU 143.A O no hydrogen 2.928 N/A HIS 147.A NE2 ASP 213.A OD2 no hydrogen 2.727 N/A SER 148.A N ASP 144.A O no hydrogen 2.829 N/A SER 148.A OG ASP 144.A O no hydrogen 3.323 N/A SER 148.A OG TYR 145.A O no hydrogen 2.671 N/A MET 149.A N CYS 146.A O no hydrogen 3.150 N/A GLY 150.A N HIS 147.A O no hydrogen 2.965 N/A ILE 151.A N CYS 146.A O no hydrogen 2.682 N/A MET 152.A N GLU 179.A O no hydrogen 2.787 N/A HIS 153.A N ASP 213.A OD2 no hydrogen 2.848 N/A HIS 153.A NE2 ILE 173.A O no hydrogen 2.770 N/A ARG 154.A N ASP 213.A OD1 no hydrogen 2.814 N/A ARG 154.A NE LEU 177.A O no hydrogen 2.764 N/A ARG 154.A NH1 TYR 208.A OH no hydrogen 2.712 N/A ARG 154.A NH2 LEU 177.A O no hydrogen 2.728 N/A ASP 155.A N HIS 153.A ND1 no hydrogen 3.073 N/A ASN 160.A N LYS 157.A O no hydrogen 2.853 N/A ASN 160.A ND2 ASP 155.A O no hydrogen 2.705 N/A ASN 160.A ND2 ASP 155.A OD2 no hydrogen 3.190 N/A VAL 161.A N PRO 158.A O no hydrogen 3.070 N/A MET 162.A N ARG 171.A O no hydrogen 2.913 N/A ILE 163.A N ASN 117.A OD1 no hydrogen 2.808 N/A ASP 164.A N LYS 169.A O no hydrogen 2.698 N/A HIS 167.A N ASP 164.A OD1 no hydrogen 3.265 N/A HIS 167.A ND1 ASP 164.A OD1 no hydrogen 3.107 N/A HIS 167.A ND1 ASP 164.A OD2 no hydrogen 2.872 N/A ARG 168.A N HIS 165.A O no hydrogen 2.925 N/A ARG 168.A NH1 HIS 165.A O no hydrogen 2.792 N/A LYS 169.A N ASP 164.A O no hydrogen 2.905 N/A ARG 171.A N MET 162.A O no hydrogen 2.776 N/A ARG 171.A NE GLU 113.A OE1 no hydrogen 2.988 N/A ARG 171.A NE GLU 113.A OE2 no hydrogen 3.517 N/A ARG 171.A NH1 LEU 170.A O no hydrogen 2.879 N/A LEU 172.A N ASN 92.A O no hydrogen 2.809 N/A ILE 173.A N ASN 160.A O no hydrogen 2.915 N/A TRP 175.A NE1 LEU 172.A O no hydrogen 2.986 N/A GLU 179.A N MET 152.A O no hydrogen 2.840 N/A PHE 180.A N GLU 179.A OE2 no hydrogen 2.883 N/A TYR 181.A N GLY 150.A O no hydrogen 2.742 N/A HIS 182.A N TYR 187.A OH no hydrogen 2.611 N/A GLN 185.A N HIS 182.A O no hydrogen 3.094 N/A TYR 187.A N GLN 206.A O no hydrogen 2.670 N/A TYR 187.A OH PHE 180.A O no hydrogen 2.738 N/A ARG 190.A N ASN 188.A OD1 no hydrogen 2.900 N/A SER 193.A N ASP 155.A OD1 no hydrogen 3.256 N/A ARG 194.A NH1 GLY 234.A O no hydrogen 2.943 N/A PHE 196.A N SER 193.A O no hydrogen 3.039 N/A LYS 197.A N SER 193.A O no hydrogen 3.158 N/A LYS 197.A NZ VAL 191.A O no hydrogen 3.015 N/A GLU 200.A N GLU 200.A OE1 no hydrogen 2.799 N/A LEU 201.A N GLY 198.A O no hydrogen 2.874 N/A LEU 202.A N GLY 198.A O no hydrogen 3.237 N/A VAL 203.A N PRO 199.A O no hydrogen 2.656 N/A TYR 205.A N GLU 200.A O no hydrogen 2.684 N/A TYR 205.A OH VAL 4.A O no hydrogen 2.576 N/A GLN 206.A NE2 TYR 187.A O no hydrogen 3.452 N/A TYR 208.A OH ASN 188.A O no hydrogen 2.616 N/A TYR 210.A OH TYR 11.A O no hydrogen 2.774 N/A SER 211.A N ASP 209.A OD2 no hydrogen 3.011 N/A SER 211.A OG ASP 209.A OD2 no hydrogen 2.624 N/A SER 211.A OG HIS 308.A O no hydrogen 3.553 N/A LEU 212.A N ASP 209.A O no hydrogen 3.092 N/A ASP 213.A N TYR 210.A O no hydrogen 3.125 N/A TRP 215.A N SER 211.A O no hydrogen 3.381 N/A TRP 215.A N LEU 212.A O no hydrogen 3.050 N/A SER 216.A N LEU 212.A O no hydrogen 3.439 N/A SER 216.A OG PHE 196.A O no hydrogen 2.730 N/A LEU 217.A N ASP 213.A O no hydrogen 3.129 N/A GLY 218.A N MET 214.A O no hydrogen 3.232 N/A CYS 219.A N TRP 215.A O no hydrogen 3.026 N/A CYS 219.A SG TYR 195.A O no hydrogen 3.969 N/A CYS 219.A SG TRP 215.A O no hydrogen 3.484 N/A MET 220.A N SER 216.A O no hydrogen 3.033 N/A LEU 221.A N LEU 217.A O no hydrogen 2.820 N/A ALA 222.A N GLY 218.A O no hydrogen 3.044 N/A SER 223.A N CYS 219.A O no hydrogen 3.269 N/A SER 223.A OG MET 220.A O no hydrogen 2.796 N/A SER 223.A OG GLU 229.A OE2 no hydrogen 3.290 N/A MET 224.A N LEU 221.A O no hydrogen 3.155 N/A ILE 225.A N LEU 221.A O no hydrogen 3.091 N/A PHE 226.A N ALA 222.A O no hydrogen 3.068 N/A LYS 228.A N SER 223.A O no hydrogen 3.011 N/A LYS 228.A NZ PHE 231.A O no hydrogen 3.452 N/A GLY 234.A N GLN 240.A OE1 no hydrogen 2.863 N/A HIS 235.A N ASP 239.A OD2 no hydrogen 3.019 N/A TYR 238.A N ASP 236.A OD1 no hydrogen 2.926 N/A ASP 239.A N ASP 236.A OD1 no hydrogen 2.780 N/A GLN 240.A N ASP 236.A O no hydrogen 2.832 N/A GLN 240.A NE2 PHE 232.A O no hydrogen 3.041 N/A VAL 242.A N TYR 238.A O no hydrogen 3.352 N/A ARG 243.A N ASP 239.A O no hydrogen 2.990 N/A ARG 243.A NH1 ASP 239.A OD2 no hydrogen 2.707 N/A ILE 244.A N GLN 240.A O no hydrogen 3.046 N/A ALA 245.A N LEU 241.A O no hydrogen 2.789 N/A LYS 246.A N VAL 242.A O no hydrogen 2.987 N/A VAL 247.A N ILE 244.A O no hydrogen 2.813 N/A LEU 248.A N ILE 244.A O no hydrogen 2.770 N/A GLY 249.A N ALA 245.A O no hydrogen 2.723 N/A THR 250.A N HIS 275.A O no hydrogen 2.981 N/A THR 250.A OG1 HIS 275.A O no hydrogen 3.106 N/A TYR 254.A N THR 250.A O no hydrogen 2.939 N/A TYR 254.A OH GLY 273.A O no hydrogen 2.860 N/A ASP 255.A N GLU 251.A O no hydrogen 3.114 N/A TYR 256.A N ASP 252.A O no hydrogen 2.929 N/A TYR 256.A OH HIS 308.A ND1 no hydrogen 3.015 N/A ILE 257.A N LEU 253.A O no hydrogen 3.025 N/A ASP 258.A N TYR 254.A O no hydrogen 2.871 N/A LYS 259.A N ASP 255.A O no hydrogen 2.877 N/A LYS 259.A NZ TYR 260.A OH no hydrogen 2.723 N/A LYS 259.A NZ ASP 307.A OD2 no hydrogen 3.245 N/A LYS 259.A NZ GLN 309.A OE1 no hydrogen 3.504 N/A TYR 260.A N TYR 256.A O no hydrogen 3.118 N/A TYR 260.A OH ASP 307.A OD1 no hydrogen 2.690 N/A ASN 261.A N ASP 258.A O no hydrogen 3.259 N/A ILE 262.A N ILE 257.A O no hydrogen 2.772 N/A ARG 267.A N ASP 265.A OD1 no hydrogen 3.231 N/A PHE 268.A N ASP 265.A O no hydrogen 3.038 N/A ASN 269.A N PRO 266.A O no hydrogen 3.163 N/A ILE 271.A N PHE 268.A O no hydrogen 3.001 N/A LEU 272.A N PHE 268.A O no hydrogen 3.047 N/A HIS 275.A N THR 250.A OG1 no hydrogen 2.788 N/A ARG 277.A NH1 ASP 301.A OD1 no hydrogen 3.031 N/A LYS 278.A N VAL 247.A O no hydrogen 2.814 N/A TRP 280.A NE1 ASP 301.A OD1 no hydrogen 2.687 N/A GLU 281.A N GLU 281.A OE2 no hydrogen 2.897 N/A ARG 282.A N ARG 279.A O no hydrogen 3.025 N/A PHE 283.A N TRP 280.A O no hydrogen 2.973 N/A VAL 284.A N GLU 281.A O no hydrogen 3.328 N/A HIS 285.A N ASN 288.A OD1 no hydrogen 3.231 N/A ASN 288.A ND2 PHE 283.A O no hydrogen 3.659 N/A ASN 288.A ND2 GLU 287.A OE2 no hydrogen 3.228 N/A GLN 289.A NE2 GLN 289.A O no hydrogen 3.360 N/A LEU 291.A N ASN 288.A O no hydrogen 2.991 N/A VAL 292.A N GLN 289.A O no hydrogen 3.353 N/A SER 293.A OG GLU 295.A OE2 no hydrogen 3.324 N/A GLU 295.A N GLU 295.A OE2 no hydrogen 2.685 N/A ALA 296.A N SER 293.A O no hydrogen 3.109 N/A ALA 296.A N SER 293.A OG no hydrogen 3.370 N/A LEU 297.A N SER 293.A O no hydrogen 3.227 N/A ASP 298.A N PRO 294.A O no hydrogen 2.941 N/A PHE 299.A N GLU 295.A O no hydrogen 2.872 N/A LEU 300.A N ALA 296.A O no hydrogen 2.981 N/A ASP 301.A N LEU 297.A O no hydrogen 3.112 N/A LYS 302.A N ASP 298.A O no hydrogen 3.079 N/A LYS 302.A N PHE 299.A O no hydrogen 3.153 N/A LYS 302.A NZ ASP 298.A OD1 no hydrogen 3.115 N/A LYS 302.A NZ ASP 298.A OD2 no hydrogen 2.924 N/A LEU 303.A N LEU 300.A O no hydrogen 3.135 N/A LEU 304.A N LEU 300.A O no hydrogen 2.938 N/A ARG 305.A N LEU 303.A O no hydrogen 2.930 N/A ARG 305.A NH1 ASP 301.A O no hydrogen 3.344 N/A TYR 306.A OH GLY 249.A O no hydrogen 2.959 N/A HIS 308.A ND1 TYR 256.A OH no hydrogen 3.015 N/A HIS 308.A NE2 SER 6.A OG no hydrogen 2.957 N/A GLN 309.A N ASP 307.A OD1 no hydrogen 3.185 N/A GLN 309.A NE2 SER 6.A OG no hydrogen 2.725 N/A SER 310.A N ASP 307.A O no hydrogen 2.870 N/A ARG 311.A NE ARG 305.A O no hydrogen 2.744 N/A ARG 311.A NH1 GLU 200.A OE1 no hydrogen 3.327 N/A ARG 311.A NH1 GLU 200.A OE2 no hydrogen 3.039 N/A ARG 311.A NH1 SER 211.A O no hydrogen 2.833 N/A ARG 311.A NH2 GLU 200.A OE1 no hydrogen 2.857 N/A ARG 311.A NH2 ARG 305.A O no hydrogen 3.294 N/A ARG 311.A NH2 TYR 306.A O no hydrogen 3.049 N/A LEU 312.A N LYS 302.A O no hydrogen 3.302 N/A THR 313.A N GLU 316.A OE1 no hydrogen 2.822 N/A ARG 315.A NE ASP 144.A OD2 no hydrogen 3.263 N/A ARG 315.A NH1 ASP 144.A OD2 no hydrogen 3.082 N/A ALA 317.A N THR 313.A O no hydrogen 2.744 N/A MET 318.A N ALA 314.A O no hydrogen 3.052 N/A GLU 319.A N ARG 315.A O no hydrogen 3.177 N/A GLU 319.A N GLU 316.A O no hydrogen 3.185 N/A HIS 320.A N ALA 317.A O no hydrogen 3.292 N/A HIS 320.A NE2 ASP 298.A OD2 no hydrogen 2.878 N/A TYR 322.A N HIS 320.A ND1 no hydrogen 3.073 N/A PHE 323.A N HIS 320.A O no hydrogen 2.884 N/A TYR 324.A N PRO 321.A O no hydrogen 3.352 N/A VAL 326.A N PHE 323.A O no hydrogen 3.154 N/A