Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8gdk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A NE1 GLU 49.A OE2 no hydrogen 2.572 N/A LYS 4.A N GLN 339.A O no hydrogen 2.887 N/A LEU 10.A N GLN 61.A OE1 no hydrogen 2.749 N/A PHE 11.A N CYS 103.A O no hydrogen 3.298 N/A CYS 12.A SG ALA 31.A O no hydrogen 3.125 N/A ALA 13.A N HIS 101.A O no hydrogen 3.102 N/A SER 14.A N VAL 33.A O no hydrogen 3.106 N/A ALA 16.A N SER 14.A OG no hydrogen 3.059 N/A LYS 17.A NZ ALA 18.A O no hydrogen 2.691 N/A GLU 22.A N GLU 20.A OE2 no hydrogen 2.666 N/A VAL 23.A N SER 94.A O no hydrogen 3.181 N/A HIS 24.A ND1 GLU 22.A OE2 no hydrogen 2.967 N/A ASN 25.A N GLU 22.A OE1 no hydrogen 2.978 N/A VAL 26.A N GLU 22.A O no hydrogen 2.987 N/A TRP 27.A N VAL 23.A O no hydrogen 3.212 N/A ALA 28.A N HIS 24.A O no hydrogen 3.105 N/A THR 29.A N ASN 25.A O no hydrogen 2.883 N/A THR 29.A OG1 ASN 25.A O no hydrogen 3.003 N/A HIS 30.A NE2 GLN 72.A OE1 no hydrogen 3.162 N/A CYS 32.A N ALA 28.A O no hydrogen 3.082 N/A VAL 33.A N CYS 12.A O no hydrogen 2.905 N/A THR 35.A OG1 ASP 15.A OD1 no hydrogen 3.248 N/A ASN 38.A N ASP 36.A OD1 no hydrogen 2.773 N/A GLU 41.A N GLU 41.A OE1 no hydrogen 2.688 N/A GLU 49.A N CYS 124.A O no hydrogen 3.210 N/A ASN 50.A N GLU 49.A OE1 no hydrogen 3.154 N/A PHE 51.A N GLY 122.A O no hydrogen 2.855 N/A MET 53.A N GLY 120.A O no hydrogen 2.939 N/A ASN 56.A ND2 TYR 335.A O no hydrogen 3.128 N/A MET 58.A N ASN 56.A OD1 no hydrogen 2.908 N/A GLN 61.A N ASN 57.A O no hydrogen 3.044 N/A GLN 61.A NE2 THR 8.A O no hydrogen 3.147 N/A GLN 61.A NE2 ASN 57.A OD1 no hydrogen 2.616 N/A MET 62.A N MET 58.A O no hydrogen 2.906 N/A HIS 63.A N VAL 59.A O no hydrogen 2.898 N/A GLU 64.A N GLU 60.A O no hydrogen 3.225 N/A ASP 65.A N GLN 61.A O no hydrogen 3.225 N/A ILE 66.A N MET 62.A O no hydrogen 3.042 N/A ILE 67.A N HIS 63.A O no hydrogen 2.856 N/A SER 68.A N GLU 64.A O no hydrogen 2.970 N/A LEU 69.A N ASP 65.A O no hydrogen 2.719 N/A TRP 70.A N ILE 66.A O no hydrogen 2.872 N/A ASP 71.A N ILE 67.A O no hydrogen 2.871 N/A GLN 72.A N SER 68.A O no hydrogen 2.982 N/A GLN 72.A N LEU 69.A O no hydrogen 3.123 N/A SER 73.A N LEU 69.A O no hydrogen 3.013 N/A SER 73.A OG LEU 69.A O no hydrogen 2.604 N/A CYS 77.A SG MET 283.A O no hydrogen 3.500 N/A VAL 78.A N MET 283.A O no hydrogen 3.456 N/A LYS 79.A N ILE 86.A O no hydrogen 2.950 N/A LEU 80.A N GLN 281.A O no hydrogen 3.025 N/A THR 81.A OG1 THR 279.A OG1 no hydrogen 2.410 N/A SER 84.A N THR 81.A O no hydrogen 2.654 N/A SER 84.A OG THR 81.A O no hydrogen 2.755 N/A GLN 88.A NE2 GLN 75.A OE1 no hydrogen 3.659 N/A LYS 92.A NZ GLU 242.A OE2 no hydrogen 2.930 N/A LYS 92.A NZ ALA 285.A O no hydrogen 3.098 N/A LYS 92.A NZ PRO 286.A O no hydrogen 2.802 N/A ASP 96.A N GLU 22.A OE2 no hydrogen 2.335 N/A ILE 100.A N ILE 136.A O no hydrogen 2.920 N/A HIS 101.A N ALA 13.A O no hydrogen 2.781 N/A HIS 101.A ND1 ALA 13.A O no hydrogen 3.134 N/A TYR 102.A N THR 133.A OG1 no hydrogen 2.901 N/A TYR 102.A OH ASP 65.A OD1 no hydrogen 3.024 N/A CYS 103.A N PHE 11.A O no hydrogen 2.756 N/A THR 104.A N GLN 131.A O no hydrogen 2.889 N/A THR 104.A OG1 TYR 108.A O no hydrogen 3.231 N/A THR 104.A OG1 GLN 131.A O no hydrogen 3.325 N/A TYR 108.A N PRO 105.A O no hydrogen 3.176 N/A VAL 109.A N VAL 338.A O no hydrogen 2.862 N/A ILE 110.A N VAL 130.A O no hydrogen 2.851 N/A LEU 111.A N LYS 336.A O no hydrogen 2.826 N/A LYS 112.A N SER 128.A O no hydrogen 2.603 N/A CYS 113.A N LYS 334.A O no hydrogen 2.949 N/A ASN 114.A N ASN 126.A O no hydrogen 2.593 N/A ASN 114.A ND2 ASN 126.A OD1 no hydrogen 3.169 N/A ASN 114.A ND2 SER 128.A OG no hydrogen 3.154 N/A PHE 118.A N ASP 115.A O no hydrogen 3.079 N/A THR 121.A N ASN 119.A OD1 no hydrogen 3.027 N/A GLY 122.A N PHE 51.A O no hydrogen 2.915 N/A CYS 124.A N GLU 49.A O no hydrogen 2.858 N/A CYS 124.A SG ASP 115.A OD2 no hydrogen 3.399 N/A CYS 124.A SG ASN 126.A O no hydrogen 3.614 N/A LYS 125.A N ASP 115.A OD2 no hydrogen 2.638 N/A ASN 126.A N ASP 115.A OD1 no hydrogen 3.226 N/A SER 128.A N LYS 112.A O no hydrogen 2.957 N/A SER 128.A OG LYS 112.A O no hydrogen 3.413 N/A VAL 130.A N ILE 110.A O no hydrogen 2.619 N/A GLN 131.A N GLN 131.A OE1 no hydrogen 2.531 N/A THR 133.A N TYR 102.A O no hydrogen 2.757 N/A THR 133.A OG1 HIS 134.A O no hydrogen 3.198 N/A HIS 134.A ND1 TYR 335.A OH no hydrogen 2.533 N/A ILE 136.A N ILE 100.A O no hydrogen 2.896 N/A LYS 137.A NZ PRO 97.A O no hydrogen 2.976 N/A VAL 139.A N LYS 137.A O no hydrogen 2.984 N/A SER 141.A OG LEU 144.A O no hydrogen 2.307 N/A THR 142.A N THR 236.A O no hydrogen 3.062 N/A THR 142.A OG1 GLU 231.A O no hydrogen 2.824 N/A THR 142.A OG1 MET 234.A O no hydrogen 3.289 N/A GLN 143.A N GLY 320.A O no hydrogen 2.850 N/A GLN 143.A NE2 ILE 232.A O no hydrogen 2.690 N/A LEU 144.A N THR 142.A O no hydrogen 2.548 N/A LEU 145.A N GLY 300.A O no hydrogen 2.812 N/A ASN 147.A N ASN 297.A O no hydrogen 2.867 N/A SER 149.A N GLU 331.A OE2 no hydrogen 3.034 N/A SER 149.A OG GLU 331.A OE2 no hydrogen 2.382 N/A ALA 151.A N LEU 173.A O no hydrogen 2.788 N/A ILE 156.A N HIS 172.A O no hydrogen 3.359 N/A ARG 158.A N ILE 170.A O no hydrogen 2.617 N/A ARG 158.A NH1 PHE 118.A O no hydrogen 2.614 N/A ARG 158.A NH2 HIS 172.A ND1 no hydrogen 2.887 N/A ASN 161.A N SER 159.A OG no hydrogen 3.213 N/A THR 163.A OG1 ASN 161.A OD1 no hydrogen 2.842 N/A ALA 166.A N ASN 164.A OD1 no hydrogen 3.067 N/A LYS 167.A N ASN 164.A O no hydrogen 3.387 N/A THR 168.A OG1 ASP 326.A OD1 no hydrogen 3.408 N/A ILE 169.A N LEU 303.A O no hydrogen 2.969 N/A ILE 170.A N ARG 158.A O no hydrogen 2.729 N/A VAL 171.A N ILE 301.A O no hydrogen 3.002 N/A HIS 172.A N ILE 156.A O no hydrogen 2.756 N/A HIS 172.A NE2 SER 149.A O no hydrogen 3.076 N/A LEU 173.A N THR 299.A O no hydrogen 3.172 N/A ASN 174.A ND2 GLU 153.A O no hydrogen 2.679 N/A VAL 177.A N ILE 298.A O no hydrogen 3.174 N/A ILE 179.A N SER 296.A O no hydrogen 2.774 N/A ASN 180.A N GLU 194.A O no hydrogen 3.098 N/A CYS 181.A N CYS 294.A O no hydrogen 3.015 N/A THR 182.A N TYR 192.A O no hydrogen 2.900 N/A ARG 183.A N ILE 292.A O no hydrogen 2.741 N/A ARG 183.A NE ARG 183.A O no hydrogen 2.781 N/A ARG 183.A NH1 ILE 188.A O no hydrogen 3.040 N/A ARG 183.A NH2 ILE 288.A O no hydrogen 2.822 N/A ARG 183.A NH2 GLY 290.A O no hydrogen 2.358 N/A ARG 189.A N ASP 187.A OD1 no hydrogen 3.298 N/A ARG 189.A NE GLN 271.A OE1 no hydrogen 3.394 N/A ARG 189.A NH2 GLN 271.A OE1 no hydrogen 2.826 N/A LYS 190.A N ASP 187.A O no hydrogen 3.288 N/A LYS 190.A NZ ALA 191.A O no hydrogen 3.515 N/A LYS 190.A NZ CYS 267.A O no hydrogen 3.533 N/A ALA 191.A N CYS 267.A O no hydrogen 2.901 N/A TYR 192.A N THR 182.A O no hydrogen 3.201 N/A CYS 193.A N LEU 265.A O no hydrogen 3.134 N/A GLU 194.A N ASN 180.A O no hydrogen 2.635 N/A ILE 195.A N ILE 263.A O no hydrogen 2.787 N/A GLY 197.A N GLY 261.A O no hydrogen 2.655 N/A THR 198.A N ASN 196.A OD1 no hydrogen 3.182 N/A THR 198.A OG1 ASN 260.A O no hydrogen 3.252 N/A TRP 200.A N ASN 196.A O no hydrogen 3.306 N/A ASN 201.A N GLY 197.A O no hydrogen 2.962 N/A LYS 202.A N THR 198.A O no hydrogen 3.111 N/A VAL 203.A N LYS 199.A O no hydrogen 3.092 N/A LEU 204.A N TRP 200.A O no hydrogen 2.815 N/A LYS 205.A N ASN 201.A O no hydrogen 3.078 N/A GLN 206.A N LYS 202.A O no hydrogen 3.081 N/A VAL 207.A N VAL 203.A O no hydrogen 2.828 N/A THR 208.A N LEU 204.A O no hydrogen 3.018 N/A GLU 209.A N LYS 205.A O no hydrogen 2.782 N/A LYS 210.A N GLN 206.A O no hydrogen 2.840 N/A LEU 211.A N VAL 207.A O no hydrogen 2.655 N/A LYS 212.A N THR 208.A O no hydrogen 2.969 N/A GLU 213.A N GLU 209.A O no hydrogen 3.258 N/A GLU 213.A N LYS 210.A O no hydrogen 3.053 N/A HIS 214.A N LEU 211.A O no hydrogen 3.205 N/A PHE 215.A N LYS 212.A O no hydrogen 3.255 N/A ASN 217.A N LYS 212.A O no hydrogen 3.182 N/A LYS 218.A N PHE 215.A O no hydrogen 2.864 N/A LYS 218.A NZ ALA 309.A O no hydrogen 2.841 N/A LYS 218.A NZ THR 312.A O no hydrogen 3.341 N/A LYS 218.A NZ GLU 315.A OE2 no hydrogen 3.041 N/A THR 219.A N SER 313.A O no hydrogen 2.883 N/A THR 219.A OG1 SER 313.A O no hydrogen 3.433 N/A ILE 221.A N GLU 315.A O no hydrogen 3.017 N/A GLN 223.A N PHE 317.A O no hydrogen 2.948 N/A GLU 231.A N GLU 231.A OE1 no hydrogen 2.929 N/A ILE 232.A N ASP 229.A O no hydrogen 2.938 N/A THR 233.A N ASP 229.A O no hydrogen 3.031 N/A THR 233.A OG1 LEU 230.A O no hydrogen 3.521 N/A MET 234.A N LEU 230.A O no hydrogen 3.065 N/A HIS 235.A N CYS 246.A O no hydrogen 2.829 N/A THR 236.A N THR 142.A OG1 no hydrogen 3.213 N/A THR 236.A OG1 GLU 231.A O no hydrogen 3.077 N/A THR 236.A OG1 MET 234.A O no hydrogen 3.002 N/A PHE 237.A N PHE 244.A O no hydrogen 3.170 N/A CYS 239.A N GLU 242.A O no hydrogen 2.854 N/A GLY 241.A N ASN 238.A OD1 no hydrogen 2.938 N/A GLU 242.A N CYS 239.A O no hydrogen 3.009 N/A PHE 244.A N PHE 237.A O no hydrogen 2.828 N/A TYR 245.A N LYS 268.A O no hydrogen 2.995 N/A TYR 245.A OH GLU 231.A OE2 no hydrogen 2.270 N/A CYS 246.A N HIS 235.A O no hydrogen 3.051 N/A ASN 247.A N PRO 266.A O no hydrogen 2.897 N/A THR 248.A OG1 GLN 143.A OE1 no hydrogen 2.692 N/A THR 249.A N ASN 247.A OD1 no hydrogen 2.863 N/A THR 249.A OG1 ASN 247.A OD1 no hydrogen 2.336 N/A LEU 251.A N THR 248.A O no hydrogen 3.142 N/A ASN 254.A ND2 GLN 250.A O no hydrogen 3.048 N/A CYS 256.A SG ASN 254.A O no hydrogen 3.031 N/A LEU 265.A N CYS 193.A O no hydrogen 2.753 N/A CYS 267.A N ALA 191.A O no hydrogen 2.765 N/A CYS 267.A SG LEU 265.A O no hydrogen 3.855 N/A LYS 268.A N TYR 245.A O no hydrogen 2.920 N/A ILE 269.A N ARG 189.A O no hydrogen 2.803 N/A LYS 270.A N PHE 243.A O no hydrogen 3.006 N/A ILE 273.A N ALA 282.A O no hydrogen 2.666 N/A ASN 274.A N GLU 231.A OE2 no hydrogen 2.967 N/A MET 275.A N GLY 280.A O no hydrogen 2.898 N/A GLN 277.A N GLN 277.A OE1 no hydrogen 2.807 N/A THR 279.A OG1 THR 81.A OG1 no hydrogen 2.410 N/A GLN 281.A N LEU 80.A O no hydrogen 3.153 N/A GLN 281.A NE2 ASN 274.A OD1 no hydrogen 3.440 N/A ALA 282.A N ILE 273.A O no hydrogen 2.810 N/A MET 283.A N VAL 78.A O no hydrogen 3.001 N/A TYR 284.A N GLN 271.A O no hydrogen 3.205 N/A ILE 288.A N GLU 242.A OE2 no hydrogen 2.909 N/A ILE 292.A N ARG 183.A O no hydrogen 2.999 N/A ASN 293.A ND2 ASN 180.A OD1 no hydrogen 2.770 N/A ASN 293.A ND2 CYS 181.A O no hydrogen 2.702 N/A ASN 293.A ND2 THR 182.A OG1 no hydrogen 3.310 N/A CYS 294.A N CYS 181.A O no hydrogen 2.924 N/A CYS 294.A SG ASN 293.A O no hydrogen 3.287 N/A SER 296.A N ILE 179.A O no hydrogen 2.787 N/A ASN 297.A N ASN 147.A OD1 no hydrogen 3.354 N/A ILE 298.A N VAL 177.A O no hydrogen 2.779 N/A THR 299.A N LEU 145.A O no hydrogen 2.798 N/A THR 299.A OG1 LEU 145.A O no hydrogen 3.496 N/A THR 299.A OG1 SER 149.A O no hydrogen 3.481 N/A GLY 300.A N LEU 145.A O no hydrogen 3.166 N/A ILE 301.A N VAL 171.A O no hydrogen 3.183 N/A LEU 302.A N GLN 143.A O no hydrogen 3.110 N/A LEU 303.A N ILE 169.A O no hydrogen 2.779 N/A THR 304.A N ARG 318.A O no hydrogen 2.834 N/A THR 304.A OG1 ARG 318.A O no hydrogen 2.855 N/A ARG 305.A NH2 THR 163.A O no hydrogen 3.011 N/A ASP 306.A N THR 316.A O no hydrogen 2.819 N/A ALA 309.A N GLY 307.A O no hydrogen 2.401 N/A THR 312.A N ALA 309.A O no hydrogen 3.150 N/A THR 312.A OG1 ALA 309.A O no hydrogen 3.485 N/A ASN 314.A N THR 312.A OG1 no hydrogen 2.882 N/A GLU 315.A N THR 219.A O no hydrogen 2.690 N/A THR 316.A OG1 ASP 306.A OD2 no hydrogen 2.301 N/A PHE 317.A N ILE 221.A O no hydrogen 2.637 N/A ARG 318.A N THR 304.A O no hydrogen 2.840 N/A ARG 318.A NE ASP 306.A OD1 no hydrogen 3.365 N/A ARG 318.A NE ASP 306.A OD2 no hydrogen 3.003 N/A ARG 318.A NH2 ASP 306.A OD2 no hydrogen 3.442 N/A GLY 320.A N LEU 302.A O no hydrogen 2.359 N/A ARG 325.A N ASP 323.A OD1 no hydrogen 3.353 N/A ASP 326.A N ASP 323.A O no hydrogen 3.004 N/A ASN 327.A ND2 SER 141.A O no hydrogen 2.877 N/A TRP 328.A N MET 324.A O no hydrogen 3.102 N/A TRP 328.A NE1 HIS 63.A ND1 no hydrogen 2.956 N/A ARG 329.A N ARG 325.A O no hydrogen 2.827 N/A ARG 329.A NE ASP 326.A OD2 no hydrogen 2.955 N/A ARG 329.A NH2 ASP 326.A OD2 no hydrogen 2.811 N/A SER 330.A N ASP 326.A O no hydrogen 3.078 N/A SER 330.A N ASN 327.A O no hydrogen 3.293 N/A SER 330.A OG ASN 327.A O no hydrogen 2.318 N/A GLU 331.A N TRP 328.A O no hydrogen 3.058 N/A LEU 332.A N TRP 328.A O no hydrogen 2.949 N/A TYR 335.A N LEU 332.A O no hydrogen 3.056 N/A TYR 335.A OH HIS 134.A ND1 no hydrogen 2.533 N/A LYS 336.A NZ ASP 5.A OD1 no hydrogen 3.103 N/A LYS 336.A NZ ASP 5.A OD2 no hydrogen 2.471 N/A VAL 338.A N VAL 109.A O no hydrogen 2.833 N/A GLN 339.A N LYS 4.A O no hydrogen 3.035 N/A ILE 340.A N GLY 107.A O no hydrogen 3.383 N/A