Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4k68_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N ASP 6.A OD2 no hydrogen 3.056 N/A GLY 3.A N ASP 6.A OD2 no hydrogen 3.321 N/A ILE 4.A N GLU 38.A OE1 no hydrogen 3.073 N/A LYS 5.A N GLU 38.A O no hydrogen 3.078 N/A LYS 5.A NZ ASP 6.A OD1 no hydrogen 3.119 N/A LYS 5.A NZ ASP 6.A OD2 no hydrogen 3.486 N/A ASP 6.A N GLY 3.A O no hydrogen 2.979 N/A PHE 7.A N ILE 4.A O no hydrogen 3.235 N/A TYR 8.A N ILE 4.A O no hydrogen 3.250 N/A TYR 8.A N LYS 5.A O no hydrogen 3.353 N/A TYR 8.A OH LEU 332.A O no hydrogen 2.447 N/A ASP 11.A N TYR 8.A O no hydrogen 3.328 N/A PHE 12.A N TYR 8.A O no hydrogen 3.081 N/A ARG 13.A N GLU 290.A O no hydrogen 3.149 N/A ARG 13.A NE ASN 40.A O no hydrogen 3.318 N/A ARG 13.A NH2 ASN 40.A O no hydrogen 3.125 N/A GLY 15.A N VAL 292.A O no hydrogen 2.733 N/A THR 16.A N ALA 41.A O no hydrogen 3.153 N/A THR 16.A OG1 LEU 294.A O no hydrogen 3.497 N/A THR 16.A OG1 THR 297.A OG1 no hydrogen 3.018 N/A VAL 18.A N THR 43.A O no hydrogen 2.729 N/A LEU 23.A N THR 20.A O no hydrogen 3.052 N/A THR 24.A N THR 20.A O no hydrogen 3.120 N/A THR 24.A OG1 THR 20.A O no hydrogen 3.135 N/A LYS 28.A N MET 25.A O no hydrogen 3.306 N/A LYS 29.A NZ LYS 29.A O no hydrogen 3.404 N/A LEU 31.A N LYS 28.A O no hydrogen 3.225 N/A LEU 32.A N LYS 28.A O no hydrogen 3.342 N/A ALA 33.A N LYS 29.A O no hydrogen 3.047 N/A LEU 34.A N PRO 30.A O no hydrogen 2.923 N/A ILE 35.A N LEU 31.A O no hydrogen 2.936 N/A ALA 36.A N LEU 32.A O no hydrogen 3.059 N/A ARG 37.A N ALA 33.A O no hydrogen 3.146 N/A GLU 38.A N LEU 34.A O no hydrogen 3.256 N/A GLU 38.A N ILE 35.A O no hydrogen 3.221 N/A PHE 39.A N ILE 35.A O no hydrogen 2.832 N/A ASN 40.A N ILE 14.A O no hydrogen 2.920 N/A ILE 42.A N TYR 78.A O no hydrogen 3.304 N/A THR 43.A N THR 16.A O no hydrogen 3.081 N/A GLU 45.A N VAL 18.A O no hydrogen 2.993 N/A ASN 46.A ND2 GLN 89.A OE1 no hydrogen 3.333 N/A LYS 49.A N ASN 46.A O no hydrogen 3.055 N/A TRP 50.A NE1 ASP 57.A OD1 no hydrogen 2.825 N/A GLU 51.A N GLN 89.A O no hydrogen 3.154 N/A LEU 53.A N LYS 49.A O no hydrogen 3.041 N/A LYS 54.A N TRP 50.A O no hydrogen 2.694 N/A LYS 54.A NZ LYS 58.A O no hydrogen 2.320 N/A ASP 57.A N LYS 54.A O no hydrogen 3.087 N/A LYS 58.A N PRO 55.A O no hydrogen 3.288 N/A HIS 61.A N LEU 53.A O no hydrogen 2.758 N/A ASP 66.A N TRP 62.A O no hydrogen 2.772 N/A LYS 67.A N GLU 63.A O no hydrogen 3.236 N/A PHE 68.A N ALA 65.A O no hydrogen 3.184 N/A VAL 69.A N ALA 65.A O no hydrogen 3.093 N/A GLU 70.A N ASP 66.A O no hydrogen 2.961 N/A PHE 71.A N LYS 67.A O no hydrogen 3.252 N/A GLY 72.A N PHE 68.A O no hydrogen 3.148 N/A GLU 73.A N VAL 69.A O no hydrogen 3.066 N/A LYS 74.A N GLU 70.A O no hydrogen 3.000 N/A HIS 75.A N GLY 72.A O no hydrogen 3.190 N/A HIS 75.A ND1 PHE 71.A O no hydrogen 3.028 N/A LYS 76.A N GLU 73.A O no hydrogen 3.438 N/A MET 77.A N GLY 72.A O no hydrogen 2.704 N/A TYR 78.A N ASN 40.A O no hydrogen 2.781 N/A ILE 79.A N GLN 128.A OE1 no hydrogen 2.589 N/A VAL 80.A N ILE 42.A O no hydrogen 2.990 N/A GLY 81.A N ALA 129.A O no hydrogen 2.566 N/A LEU 84.A N ASP 131.A O no hydrogen 2.925 N/A VAL 85.A N VAL 132.A O no hydrogen 2.909 N/A TRP 86.A NE1 GLU 135.A OE1 no hydrogen 3.200 N/A HIS 87.A NE2 GLU 135.A OE1 no hydrogen 3.073 N/A VAL 94.A N PRO 91.A O no hydrogen 3.155 N/A PHE 95.A N LYS 92.A O no hydrogen 3.197 N/A ASN 97.A N GLY 101.A O no hydrogen 2.772 N/A SER 99.A N ASN 97.A OD1 no hydrogen 3.044 N/A GLY 101.A N ASN 97.A OD1 no hydrogen 2.600 N/A ILE 103.A N PHE 95.A O no hydrogen 3.214 N/A ALA 107.A N SER 104.A OG no hydrogen 3.314 N/A LEU 108.A N SER 104.A O no hydrogen 2.967 N/A THR 109.A N LYS 105.A O no hydrogen 3.066 N/A THR 109.A OG1 LYS 105.A O no hydrogen 2.435 N/A ALA 110.A N GLU 106.A O no hydrogen 3.188 N/A LYS 111.A N ALA 107.A O no hydrogen 3.180 N/A LYS 111.A NZ VAL 94.A O no hydrogen 2.866 N/A LYS 111.A NZ LEU 96.A O no hydrogen 3.270 N/A MET 112.A N LEU 108.A O no hydrogen 2.998 N/A GLN 113.A N THR 109.A O no hydrogen 3.012 N/A ASP 114.A N ALA 110.A O no hydrogen 2.909 N/A HIS 115.A N LYS 111.A O no hydrogen 2.994 N/A ILE 116.A N MET 112.A O no hydrogen 3.017 N/A ALA 117.A N GLN 113.A O no hydrogen 2.872 N/A THR 118.A N ASP 114.A O no hydrogen 3.126 N/A THR 118.A OG1 ASP 114.A O no hydrogen 2.727 N/A LEU 119.A N HIS 115.A O no hydrogen 2.908 N/A ALA 120.A N ILE 116.A O no hydrogen 2.881 N/A ARG 122.A N THR 118.A O no hydrogen 3.197 N/A ARG 122.A NE ASP 66.A OD1 no hydrogen 2.995 N/A ARG 122.A NH2 ASP 66.A OD1 no hydrogen 3.459 N/A ARG 122.A NH2 ASP 66.A OD2 no hydrogen 2.603 N/A TYR 123.A OH ASP 66.A OD1 no hydrogen 2.873 N/A LYS 124.A N GLY 121.A O no hydrogen 3.298 N/A GLY 125.A N ASP 168.A OD2 no hydrogen 3.462 N/A ARG 126.A N TYR 123.A O no hydrogen 3.014 N/A ARG 126.A NH1 GLU 73.A OE1 no hydrogen 3.526 N/A GLN 128.A N ILE 79.A O no hydrogen 3.029 N/A ALA 129.A N ILE 79.A O no hydrogen 3.282 N/A TRP 130.A N HIS 172.A O no hydrogen 3.159 N/A ASP 131.A N GLY 81.A O no hydrogen 2.686 N/A VAL 132.A N ILE 174.A O no hydrogen 3.107 N/A ASN 134.A N VAL 85.A O no hydrogen 3.301 N/A ASN 134.A ND2 ASN 83.A OD1 no hydrogen 3.415 N/A GLU 135.A N ASN 176.A O no hydrogen 2.872 N/A ALA 136.A N TYR 175.A OH no hydrogen 3.011 N/A GLU 138.A N SER 142.A O no hydrogen 2.607 N/A ASP 139.A N GLU 138.A OE2 no hydrogen 3.281 N/A GLY 141.A N GLU 138.A O no hydrogen 3.140 N/A SER 142.A OG ASP 140.A OD1 no hydrogen 2.672 N/A ARG 144.A N ALA 136.A O no hydrogen 3.045 N/A ARG 144.A NE GLU 135.A O no hydrogen 2.778 N/A ARG 144.A NH2 TYR 178.A OH no hydrogen 3.049 N/A SER 146.A N ARG 144.A O no hydrogen 2.685 N/A TRP 148.A NE1 TRP 86.A O no hydrogen 3.041 N/A TYR 149.A N SER 146.A OG no hydrogen 3.315 N/A ASN 150.A N SER 146.A O no hydrogen 2.892 N/A ASN 150.A ND2 LYS 145.A O no hydrogen 3.112 N/A MET 152.A N TRP 148.A O no hydrogen 3.117 N/A GLY 153.A N TYR 149.A O no hydrogen 2.891 N/A ILE 157.A N GLU 154.A O no hydrogen 3.439 N/A LYS 159.A N ASP 155.A O no hydrogen 3.057 N/A ALA 160.A N PHE 156.A O no hydrogen 2.943 N/A PHE 161.A N ILE 157.A O no hydrogen 3.150 N/A THR 162.A N ALA 158.A O no hydrogen 3.199 N/A THR 162.A OG1 ALA 158.A O no hydrogen 2.562 N/A MET 163.A N LYS 159.A O no hydrogen 2.869 N/A ALA 164.A N ALA 160.A O no hydrogen 3.007 N/A HIS 165.A N PHE 161.A O no hydrogen 2.901 N/A GLU 166.A N THR 162.A O no hydrogen 3.193 N/A GLU 166.A N MET 163.A O no hydrogen 3.252 N/A VAL 167.A N MET 163.A O no hydrogen 2.999 N/A ASP 168.A N ALA 164.A O no hydrogen 2.884 N/A ALA 171.A N ASP 168.A O no hydrogen 3.316 N/A HIS 172.A N GLN 128.A O no hydrogen 2.706 N/A LEU 173.A N HIS 204.A ND1 no hydrogen 3.146 N/A ILE 174.A N TRP 130.A O no hydrogen 2.975 N/A TYR 175.A N GLY 205.A O no hydrogen 2.953 N/A TYR 175.A OH ASP 177.A OD2 no hydrogen 2.739 N/A ASN 176.A N VAL 133.A O no hydrogen 3.029 N/A ASN 176.A ND2 ASP 131.A OD2 no hydrogen 3.429 N/A ASP 177.A N GLY 207.A O no hydrogen 3.197 N/A TYR 178.A N ASP 177.A OD1 no hydrogen 2.614 N/A TYR 178.A OH ASP 139.A OD2 no hydrogen 3.103 N/A ASN 179.A ND2 ASP 139.A OD1 no hydrogen 3.284 N/A THR 180.A OG1 GLU 181.A OE1 no hydrogen 3.284 N/A THR 180.A OG1 GLU 181.A OE2 no hydrogen 3.018 N/A SER 182.A N ASN 179.A O no hydrogen 3.282 N/A LYS 185.A NZ ASP 139.A OD1 no hydrogen 2.689 N/A LYS 185.A NZ ASP 177.A OD1 no hydrogen 3.270 N/A LYS 185.A NZ TYR 178.A O no hydrogen 2.833 N/A ARG 186.A N SER 182.A O no hydrogen 2.622 N/A ARG 186.A NH1 GLU 221.A OE1 no hydrogen 3.232 N/A ARG 186.A NH1 THR 225.A OG1 no hydrogen 2.823 N/A ARG 186.A NH2 GLU 221.A OE1 no hydrogen 2.841 N/A ASN 187.A N PRO 183.A O no hydrogen 2.823 N/A ILE 189.A N LYS 185.A O no hydrogen 3.058 N/A VAL 190.A N ARG 186.A O no hydrogen 2.946 N/A GLY 191.A N ASN 187.A O no hydrogen 2.995 N/A MET 192.A N PHE 188.A O no hydrogen 2.995 N/A ILE 193.A N ILE 189.A O no hydrogen 2.773 N/A LYS 194.A N VAL 190.A O no hydrogen 2.877 N/A ASN 195.A N GLY 191.A O no hydrogen 3.059 N/A PHE 196.A N MET 192.A O no hydrogen 3.061 N/A LYS 197.A N ILE 193.A O no hydrogen 2.961 N/A LYS 197.A NZ ILE 203.A O no hydrogen 2.907 N/A LYS 198.A N LYS 194.A O no hydrogen 3.118 N/A GLN 199.A N PHE 196.A O no hydrogen 2.950 N/A GLY 200.A N LYS 197.A O no hydrogen 3.170 N/A VAL 201.A N PHE 196.A O no hydrogen 3.058 N/A ILE 203.A N VAL 201.A O no hydrogen 2.776 N/A HIS 204.A N LEU 173.A O no hydrogen 3.169 N/A GLY 205.A N LEU 173.A O no hydrogen 2.995 N/A VAL 206.A N ARG 235.A O no hydrogen 2.952 N/A GLY 207.A N TYR 175.A O no hydrogen 2.639 N/A MET 208.A N HIS 237.A O no hydrogen 2.571 N/A GLN 209.A N ASP 177.A O no hydrogen 3.080 N/A GLN 209.A NE2 ASN 134.A OD1 no hydrogen 3.106 N/A GLN 209.A NE2 GLU 135.A OE2 no hydrogen 3.015 N/A HIS 211.A ND1 ASP 242.A OD1 no hydrogen 2.722 N/A HIS 211.A ND1 ASP 242.A OD2 no hydrogen 3.050 N/A HIS 211.A NE2 GLU 240.A OE1 no hydrogen 2.652 N/A LEU 212.A N GLU 210.A O no hydrogen 2.906 N/A LEU 212.A N ASP 242.A O no hydrogen 3.107 N/A ALA 213.A N GLY 216.A O no hydrogen 2.853 N/A ILE 214.A N ASP 244.A O no hydrogen 2.851 N/A ILE 222.A N SER 218.A O no hydrogen 3.401 N/A GLU 223.A N VAL 219.A O no hydrogen 2.938 N/A LYS 224.A N ASP 220.A O no hydrogen 2.989 N/A THR 225.A N GLU 221.A O no hydrogen 3.076 N/A THR 225.A OG1 THR 180.A O no hydrogen 3.144 N/A THR 225.A OG1 GLU 181.A OE2 no hydrogen 3.137 N/A THR 225.A OG1 GLU 221.A O no hydrogen 2.827 N/A LEU 226.A N ILE 222.A O no hydrogen 3.231 N/A ILE 227.A N GLU 223.A O no hydrogen 3.038 N/A ALA 228.A N LYS 224.A O no hydrogen 2.917 N/A LEU 229.A N THR 225.A O no hydrogen 2.999 N/A ALA 230.A N LEU 226.A O no hydrogen 3.049 N/A ASP 231.A N ILE 227.A O no hydrogen 2.947 N/A ALA 232.A N LEU 229.A O no hydrogen 3.054 N/A GLY 233.A N ALA 230.A O no hydrogen 3.336 N/A ARG 235.A N HIS 204.A O no hydrogen 3.007 N/A ARG 235.A NE GLU 290.A OE1 no hydrogen 2.873 N/A ARG 235.A NH1 ASP 287.A O no hydrogen 2.668 N/A ARG 235.A NH2 ASP 287.A O no hydrogen 3.117 N/A ALA 236.A N LYS 288.A O no hydrogen 2.964 N/A HIS 237.A N VAL 206.A O no hydrogen 3.220 N/A ILE 238.A N ARG 291.A O no hydrogen 2.775 N/A THR 239.A N MET 208.A O no hydrogen 2.938 N/A THR 239.A OG1 ASN 176.A OD1 no hydrogen 2.962 N/A THR 239.A OG1 MET 208.A O no hydrogen 3.325 N/A GLU 240.A N GLN 209.A O no hydrogen 3.184 N/A LEU 241.A N THR 293.A O no hydrogen 2.870 N/A ASP 242.A N GLU 210.A O no hydrogen 3.466 N/A ILE 243.A N PRO 316.A O no hydrogen 3.392 N/A ASP 244.A N LEU 212.A O no hydrogen 2.969 N/A LEU 246.A N ASP 244.A OD1 no hydrogen 3.180 N/A TYR 252.A OH ASP 257.A OD2 no hydrogen 2.435 N/A LYS 253.A NZ GLU 255.A OE2 no hydrogen 3.155 N/A ARG 256.A N LYS 253.A O no hydrogen 3.135 N/A ARG 256.A NH1 GLU 251.A O no hydrogen 3.309 N/A GLY 262.A N TYR 259.A O no hydrogen 3.353 N/A GLU 268.A N PRO 264.A O no hydrogen 2.962 N/A GLU 269.A N LYS 265.A O no hydrogen 2.869 N/A LYS 270.A N ASP 266.A O no hydrogen 2.993 N/A LYS 270.A NZ ASP 215.A OD1 no hydrogen 3.093 N/A LEU 271.A N MET 267.A O no hydrogen 2.882 N/A ALA 272.A N GLU 268.A O no hydrogen 2.844 N/A LYS 273.A N GLU 269.A O no hydrogen 2.704 N/A ARG 274.A N LYS 270.A O no hydrogen 2.923 N/A ARG 274.A NE ALA 213.A O no hydrogen 3.059 N/A ARG 274.A NH1 PRO 217.A O no hydrogen 3.286 N/A ARG 274.A NH2 PRO 217.A O no hydrogen 2.732 N/A TYR 275.A N LEU 271.A O no hydrogen 2.942 N/A TYR 275.A OH PRO 316.A O no hydrogen 2.373 N/A GLU 276.A N ALA 272.A O no hydrogen 2.970 N/A ASP 277.A N LYS 273.A O no hydrogen 2.969 N/A ILE 278.A N ARG 274.A O no hydrogen 3.125 N/A PHE 279.A N TYR 275.A O no hydrogen 3.043 N/A LYS 280.A N GLU 276.A O no hydrogen 2.906 N/A TYR 282.A N ILE 278.A O no hydrogen 3.082 N/A TYR 282.A OH GLU 210.A OE2 no hydrogen 2.578 N/A LEU 283.A N PHE 279.A O no hydrogen 2.819 N/A LYS 284.A N LYS 280.A O no hydrogen 3.090 N/A LYS 284.A NZ GLU 223.A OE2 no hydrogen 2.833 N/A HIS 285.A N ILE 281.A O no hydrogen 3.085 N/A HIS 285.A NE2 GLU 223.A OE2 no hydrogen 3.305 N/A LYS 288.A N HIS 285.A O no hydrogen 3.100 N/A LYS 288.A NZ HIS 285.A ND1 no hydrogen 3.018 N/A ILE 289.A N HIS 285.A O no hydrogen 3.337 N/A GLU 290.A N ALA 236.A O no hydrogen 2.924 N/A ARG 291.A NE HIS 237.A ND1 no hydrogen 3.528 N/A ARG 291.A NH1 THR 293.A OG1 no hydrogen 2.793 N/A ARG 291.A NH2 HIS 237.A ND1 no hydrogen 3.369 N/A VAL 292.A N ARG 13.A O no hydrogen 2.729 N/A THR 293.A N ILE 238.A O no hydrogen 2.598 N/A LEU 294.A N GLY 15.A O no hydrogen 2.903 N/A TRP 295.A N LEU 241.A O no hydrogen 3.013 N/A GLY 296.A N LEU 294.A O no hydrogen 2.726 N/A THR 297.A N GLU 301.A OE2 no hydrogen 3.187 N/A THR 297.A OG1 THR 16.A OG1 no hydrogen 3.018 N/A ALA 298.A N GLU 301.A OE1 no hydrogen 3.321 N/A GLU 301.A N ALA 298.A O no hydrogen 3.422 N/A TRP 303.A NE1 ASP 242.A OD2 no hydrogen 2.804 N/A LEU 304.A N THR 302.A OG1 no hydrogen 3.168 N/A ASN 305.A ND2 ASP 299.A O no hydrogen 2.941 N/A ASP 306.A N TRP 303.A O no hydrogen 3.408 N/A GLY 311.A N ASP 306.A OD1 no hydrogen 3.022 N/A ARG 312.A NH1 PRO 247.A O no hydrogen 3.091 N/A ARG 312.A NH1 ARG 256.A O no hydrogen 3.156 N/A THR 313.A N ASP 257.A OD1 no hydrogen 3.011 N/A ASN 314.A N ASN 305.A OD1 no hydrogen 2.843 N/A ASN 314.A ND2 ASP 244.A OD1 no hydrogen 2.675 N/A ASN 314.A ND2 LEU 304.A O no hydrogen 3.543 N/A TYR 315.A N ASN 314.A OD1 no hydrogen 2.553 N/A TYR 315.A OH TYR 259.A O no hydrogen 2.737 N/A LEU 317.A N ASP 299.A OD1 no hydrogen 2.952 N/A PHE 319.A N THR 297.A O no hydrogen 3.327 N/A ASP 320.A N LYS 324.A O no hydrogen 2.917 N/A ARG 321.A NH2 ASN 314.A O no hydrogen 2.385 N/A ASN 322.A N ASP 320.A OD1 no hydrogen 3.030 N/A GLN 323.A N ASP 320.A O no hydrogen 3.004 N/A LYS 324.A N ASP 320.A OD1 no hydrogen 2.706 N/A LYS 324.A NZ ASN 322.A O no hydrogen 3.190 N/A LYS 326.A N LEU 318.A O no hydrogen 2.804 N/A LYS 326.A NZ ASP 299.A OD1 no hydrogen 3.425 N/A LYS 326.A NZ ASP 299.A OD2 no hydrogen 2.965 N/A LYS 326.A NZ TYR 315.A O no hydrogen 3.248 N/A LYS 326.A NZ LEU 317.A O no hydrogen 3.035 N/A TYR 329.A N LYS 326.A O no hydrogen 2.794 N/A TYR 329.A OH GLU 38.A OE1 no hydrogen 2.793 N/A PHE 330.A N LYS 326.A O no hydrogen 3.465 N/A ARG 331.A N PRO 327.A O no hydrogen 2.987 N/A ARG 331.A NH1 GLU 269.A OE1 no hydrogen 2.863 N/A ARG 331.A NH2 GLU 269.A OE1 no hydrogen 3.239 N/A ARG 331.A NH2 GLU 269.A OE2 no hydrogen 2.397 N/A LEU 332.A N ALA 328.A O no hydrogen 3.151 N/A LEU 332.A N TYR 329.A O no hydrogen 3.089 N/A LEU 333.A N TYR 329.A O no hydrogen 3.221 N/A LEU 333.A N PHE 330.A O no hydrogen 3.093 N/A ASP 334.A N PHE 330.A O no hydrogen 3.052 N/A LYS 336.A N LEU 333.A O no hydrogen 3.096 N/A LYS 336.A NZ ASP 11.A OD2 no hydrogen 3.131 N/A LYS 337.A N ASP 334.A O no hydrogen 3.218 N/A