Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kgz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 GLU 7.A OE1 no hydrogen 3.264 N/A ILE 5.A N HIS 2.A O no hydrogen 3.228 N/A LEU 6.A N HIS 2.A O no hydrogen 3.450 N/A GLU 7.A N GLN 3.A O no hydrogen 3.190 N/A LYS 8.A NZ SER 14.A O no hydrogen 3.455 N/A LYS 8.A NZ GLU 19.A OE2 no hydrogen 3.038 N/A LEU 9.A N ILE 5.A O no hydrogen 3.096 N/A PHE 10.A N LEU 6.A O no hydrogen 2.861 N/A LYS 11.A N LYS 8.A O no hydrogen 3.152 N/A LYS 11.A NZ GLU 7.A O no hydrogen 3.541 N/A SER 12.A N LEU 9.A O no hydrogen 2.830 N/A GLN 13.A N LYS 8.A O no hydrogen 3.176 N/A MET 15.A N GLU 53.A OE2 no hydrogen 2.985 N/A THR 16.A N GLU 19.A OE2 no hydrogen 2.987 N/A THR 16.A OG1 GLU 19.A OE2 no hydrogen 3.480 N/A GLU 19.A N THR 16.A OG1 no hydrogen 2.857 N/A SER 20.A N THR 16.A O no hydrogen 2.961 N/A SER 20.A OG GLU 53.A O no hydrogen 2.973 N/A HIS 21.A N GLN 17.A O no hydrogen 3.001 N/A GLN 22.A N GLU 18.A O no hydrogen 2.968 N/A LEU 23.A N GLU 19.A O no hydrogen 3.024 N/A PHE 24.A N SER 20.A O no hydrogen 2.920 N/A ALA 25.A N HIS 21.A O no hydrogen 2.966 N/A ALA 25.A N GLN 22.A O no hydrogen 2.953 N/A ALA 26.A N GLN 22.A O no hydrogen 2.969 N/A ILE 27.A N LEU 23.A O no hydrogen 3.031 N/A VAL 28.A N PHE 24.A O no hydrogen 3.195 N/A GLY 30.A N ILE 27.A O no hydrogen 2.944 N/A GLU 31.A N ALA 26.A O no hydrogen 2.935 N/A GLU 33.A N GLN 36.A OE1 no hydrogen 2.747 N/A LEU 37.A N GLU 33.A O no hydrogen 2.997 N/A ALA 38.A N ASP 34.A O no hydrogen 3.091 N/A ALA 39.A N SER 35.A O no hydrogen 2.921 N/A ALA 40.A N GLN 36.A O no hydrogen 2.886 N/A LEU 41.A N LEU 37.A O no hydrogen 3.058 N/A ILE 42.A N ALA 38.A O no hydrogen 2.928 N/A SER 43.A N ALA 39.A O no hydrogen 2.895 N/A SER 43.A OG ALA 39.A O no hydrogen 2.483 N/A SER 43.A OG ALA 40.A O no hydrogen 2.820 N/A MET 44.A N ALA 40.A O no hydrogen 3.088 N/A LYS 45.A N LEU 41.A O no hydrogen 3.109 N/A LYS 45.A NZ ARG 168.A O no hydrogen 2.778 N/A MET 46.A N ILE 42.A O no hydrogen 2.950 N/A ARG 47.A N SER 43.A O no hydrogen 3.377 N/A ARG 47.A NH1 GLU 53.A OE1 no hydrogen 2.958 N/A ARG 47.A NH2 GLU 53.A OE1 no hydrogen 3.472 N/A ARG 47.A NH2 GLU 53.A OE2 no hydrogen 2.740 N/A GLY 48.A N MET 44.A O no hydrogen 2.792 N/A GLU 49.A N GLU 49.A OE2 no hydrogen 2.551 N/A ARG 50.A N GLU 53.A OE1 no hydrogen 2.658 N/A GLU 52.A N GLU 52.A OE1 no hydrogen 2.540 N/A ILE 54.A N ARG 50.A O no hydrogen 2.940 N/A ALA 55.A N PRO 51.A O no hydrogen 2.897 N/A GLY 56.A N GLU 52.A O no hydrogen 2.931 N/A ALA 57.A N GLU 53.A O no hydrogen 2.959 N/A ALA 58.A N ILE 54.A O no hydrogen 2.957 N/A SER 59.A N ALA 55.A O no hydrogen 2.669 N/A SER 59.A OG HIS 21.A ND1 no hydrogen 3.138 N/A ALA 60.A N GLY 56.A O no hydrogen 2.982 N/A LEU 61.A N ALA 57.A O no hydrogen 3.036 N/A LEU 62.A N ALA 58.A O no hydrogen 3.031 N/A ALA 63.A N SER 59.A O no hydrogen 3.339 N/A ASP 64.A N ALA 60.A O no hydrogen 3.307 N/A ASP 64.A N LEU 61.A O no hydrogen 3.170 N/A ALA 65.A N LEU 61.A O no hydrogen 2.964 N/A GLN 66.A N TYR 151.A O no hydrogen 2.790 N/A ARG 70.A NE ARG 182.A O no hydrogen 2.618 N/A ARG 70.A NH2 ARG 182.A O no hydrogen 3.491 N/A TYR 73.A OH ASP 139.A OD2 no hydrogen 2.533 N/A ALA 76.A N LYS 105.A O no hydrogen 2.990 N/A ASP 77.A N LYS 185.A O no hydrogen 2.996 N/A VAL 79.A N LEU 187.A O no hydrogen 3.079 N/A THR 81.A N GLY 189.A O no hydrogen 2.813 N/A THR 81.A OG1 GLY 82.A O no hydrogen 3.124 N/A GLY 82.A N ASP 220.A OD1 no hydrogen 2.783 N/A THR 86.A OG1 THR 86.A O no hydrogen 2.586 N/A SER 88.A OG THR 86.A O no hydrogen 2.781 N/A SER 88.A OG LEU 258.A O no hydrogen 3.537 N/A ILE 91.A N ILE 89.A O no hydrogen 3.049 N/A SER 92.A OG GLU 221.A OE1 no hydrogen 3.268 N/A ALA 94.A N ASN 90.A O no hydrogen 3.397 N/A SER 95.A N ILE 91.A O no hydrogen 2.833 N/A SER 95.A OG ILE 91.A O no hydrogen 2.936 N/A ALA 96.A N SER 92.A O no hydrogen 3.036 N/A VAL 98.A N ALA 94.A O no hydrogen 3.110 N/A ALA 99.A N SER 95.A O no hydrogen 2.727 N/A ALA 100.A N ALA 96.A O no hydrogen 2.987 N/A SER 101.A N VAL 98.A O no hydrogen 3.202 N/A SER 101.A OG PHE 97.A O no hydrogen 2.824 N/A CYS 102.A N ALA 99.A O no hydrogen 2.793 N/A CYS 102.A SG THR 312.A OG1 no hydrogen 3.338 N/A LYS 105.A NZ LEU 138.A O no hydrogen 3.042 N/A LYS 105.A NZ ASN 142.A OD1 no hydrogen 3.289 N/A VAL 106.A N ASN 142.A O no hydrogen 2.840 N/A ALA 107.A N ALA 76.A O no hydrogen 2.915 N/A LYS 108.A N CYS 144.A O no hydrogen 3.155 N/A LYS 108.A NZ HIS 109.A O no hydrogen 3.128 N/A GLY 110.A N LEU 146.A O no hydrogen 3.185 N/A SER 116.A N SER 113.A OG no hydrogen 3.239 N/A GLN 121.A N ASP 118.A O no hydrogen 3.094 N/A ALA 122.A N ASP 118.A O no hydrogen 3.135 N/A PHE 123.A N LEU 119.A O no hydrogen 3.127 N/A GLY 124.A N GLN 121.A O no hydrogen 2.619 N/A ILE 125.A N LEU 120.A O no hydrogen 3.090 N/A ARG 126.A NE ASP 128.A OD1 no hydrogen 3.190 N/A ARG 126.A NE ASP 128.A OD2 no hydrogen 2.747 N/A ARG 126.A NH2 ASP 128.A OD2 no hydrogen 2.906 N/A SER 130.A OG ASP 133.A OD2 no hydrogen 2.766 N/A ASP 133.A N SER 130.A OG no hydrogen 3.404 N/A SER 134.A N SER 130.A O no hydrogen 3.046 N/A SER 134.A OG SER 130.A O no hydrogen 3.333 N/A ARG 135.A N ALA 131.A O no hydrogen 3.263 N/A ARG 135.A NE ASP 139.A OD1 no hydrogen 3.081 N/A ARG 135.A NE ASP 139.A OD2 no hydrogen 2.790 N/A ARG 135.A NH1 PRO 69.A O no hydrogen 3.131 N/A GLN 136.A N GLU 132.A O no hydrogen 3.265 N/A ALA 137.A N ASP 133.A O no hydrogen 2.609 N/A LEU 138.A N SER 134.A O no hydrogen 2.848 N/A ASP 139.A N ARG 135.A O no hydrogen 3.166 N/A ASP 140.A N GLN 136.A O no hydrogen 2.950 N/A LEU 141.A N ALA 137.A O no hydrogen 2.685 N/A ASN 142.A ND2 ALA 100.A O no hydrogen 3.073 N/A CYS 144.A N VAL 106.A O no hydrogen 3.222 N/A LEU 146.A N LYS 108.A O no hydrogen 2.629 N/A GLN 150.A N PHE 147.A O no hydrogen 3.197 N/A GLN 150.A NE2 LEU 127.A O no hydrogen 3.393 N/A GLN 150.A NE2 MET 129.A O no hydrogen 2.826 N/A TYR 151.A N ALA 148.A O no hydrogen 2.705 N/A HIS 152.A N ALA 148.A O no hydrogen 2.729 N/A PHE 155.A N HIS 152.A O no hydrogen 2.906 N/A HIS 157.A N GLY 154.A O no hydrogen 3.130 N/A ALA 158.A N PHE 155.A O no hydrogen 3.253 N/A ARG 162.A N ALA 158.A O no hydrogen 3.134 N/A GLN 163.A N MET 159.A O no hydrogen 2.840 N/A GLN 164.A N PRO 160.A O no hydrogen 2.890 N/A LEU 165.A N VAL 161.A O no hydrogen 2.889 N/A LEU 165.A N ARG 162.A O no hydrogen 3.214 N/A LYS 166.A N ARG 162.A O no hydrogen 3.048 N/A LYS 166.A N GLN 163.A O no hydrogen 3.044 N/A ASN 172.A N THR 169.A O no hydrogen 2.863 N/A ASN 172.A ND2 THR 169.A O no hydrogen 2.870 N/A VAL 173.A N ILE 170.A O no hydrogen 3.111 N/A LEU 174.A N ILE 170.A O no hydrogen 3.058 N/A ARG 182.A N ASN 179.A O no hydrogen 3.042 N/A LYS 185.A NZ LEU 296.A O no hydrogen 2.901 N/A ALA 186.A N ASN 210.A O no hydrogen 3.327 N/A LEU 187.A N ASP 77.A O no hydrogen 2.696 N/A ILE 188.A N ALA 212.A O no hydrogen 2.793 N/A GLY 189.A N VAL 79.A O no hydrogen 3.147 N/A VAL 190.A N VAL 214.A O no hydrogen 2.967 N/A TYR 191.A N THR 81.A OG1 no hydrogen 2.947 N/A GLU 194.A N SER 192.A OG no hydrogen 3.413 N/A LEU 195.A N SER 192.A O no hydrogen 3.097 N/A ILE 199.A N LEU 195.A O no hydrogen 3.120 N/A ALA 200.A N VAL 196.A O no hydrogen 3.361 N/A GLN 201.A N LEU 197.A O no hydrogen 3.139 N/A GLN 201.A NE2 LEU 197.A O no hydrogen 3.259 N/A ALA 202.A N PRO 198.A O no hydrogen 2.986 N/A LEU 203.A N ILE 199.A O no hydrogen 2.740 N/A LYS 204.A N ALA 200.A O no hydrogen 3.021 N/A LYS 204.A NZ GLY 236.A O no hydrogen 3.219 N/A VAL 205.A N GLN 201.A O no hydrogen 3.161 N/A LEU 206.A N ALA 202.A O no hydrogen 2.920 N/A GLY 207.A N LYS 204.A O no hydrogen 2.766 N/A TYR 208.A N LEU 203.A O no hydrogen 3.027 N/A LYS 209.A N PRO 184.A O no hydrogen 3.136 N/A ASN 210.A N PRO 184.A O no hydrogen 3.435 N/A ALA 211.A N LEU 233.A O no hydrogen 3.128 N/A ALA 212.A N ALA 186.A O no hydrogen 2.976 N/A VAL 213.A N ALA 231.A O no hydrogen 2.997 N/A VAL 214.A N ILE 188.A O no hydrogen 2.852 N/A HIS 215.A N GLN 229.A O no hydrogen 3.221 N/A HIS 215.A ND1 VAL 190.A O no hydrogen 2.740 N/A GLY 216.A N MET 219.A O no hydrogen 2.914 N/A MET 219.A N GLY 216.A O no hydrogen 2.791 N/A ALA 223.A N THR 228.A OG1 no hydrogen 2.630 N/A THR 228.A N LEU 243.A O no hydrogen 2.732 N/A GLN 229.A N HIS 215.A O no hydrogen 2.676 N/A VAL 230.A N TYR 241.A O no hydrogen 2.996 N/A ALA 231.A N VAL 213.A O no hydrogen 3.125 N/A GLU 232.A N GLU 239.A O no hydrogen 2.893 N/A LEU 233.A N ALA 211.A O no hydrogen 2.745 N/A ASN 234.A N GLU 237.A O no hydrogen 2.747 N/A GLU 237.A N ASN 234.A O no hydrogen 2.766 N/A GLU 239.A N GLU 232.A O no hydrogen 2.893 N/A TYR 241.A N VAL 230.A O no hydrogen 3.293 N/A TYR 241.A OH GLU 232.A OE1 no hydrogen 2.908 N/A LEU 243.A N THR 228.A O no hydrogen 3.031 N/A SER 244.A N ASP 247.A OD2 no hydrogen 2.568 N/A GLN 246.A N SER 244.A OG no hydrogen 3.249 N/A ASP 247.A N SER 244.A O no hydrogen 2.878 N/A PHE 248.A N PRO 245.A O no hydrogen 3.159 N/A GLY 249.A N GLN 246.A O no hydrogen 3.114 N/A LEU 250.A N PRO 245.A O no hydrogen 3.005 N/A SER 252.A OG ILE 224.A O no hydrogen 3.116 N/A TYR 253.A N ILE 224.A O no hydrogen 2.811 N/A ALA 257.A N SER 254.A O no hydrogen 2.790 N/A ALA 257.A N SER 254.A OG no hydrogen 3.322 N/A LEU 258.A N LEU 255.A O no hydrogen 2.620 N/A GLY 260.A N ASN 87.A OD1 no hydrogen 2.713 N/A ASN 266.A N THR 262.A O no hydrogen 2.790 N/A ARG 267.A N PRO 263.A O no hydrogen 3.105 N/A ASP 268.A N GLU 264.A O no hydrogen 3.104 N/A ILE 269.A N GLU 265.A O no hydrogen 2.756 N/A LEU 270.A N ASN 266.A O no hydrogen 2.978 N/A ALA 271.A N ARG 267.A O no hydrogen 2.945 N/A ARG 272.A N ASP 268.A O no hydrogen 2.743 N/A ARG 272.A NH1 LYS 277.A O no hydrogen 3.168 N/A LEU 274.A N LEU 270.A O no hydrogen 3.022 N/A GLY 276.A N LEU 273.A O no hydrogen 2.509 N/A LYS 277.A N ARG 272.A O no hydrogen 2.548 N/A HIS 282.A NE2 ALA 257.A O no hydrogen 3.065 N/A ARG 284.A N ALA 280.A O no hydrogen 2.952 N/A ARG 284.A NH2 GLN 251.A OE1 no hydrogen 3.183 N/A GLN 285.A N ALA 281.A O no hydrogen 3.141 N/A VAL 286.A N HIS 282.A O no hydrogen 3.278 N/A ALA 287.A N ALA 283.A O no hydrogen 3.004 N/A ALA 288.A N ARG 284.A O no hydrogen 2.943 N/A ASN 289.A N GLN 285.A O no hydrogen 3.231 N/A VAL 290.A N VAL 286.A O no hydrogen 2.856 N/A ALA 291.A N ALA 287.A O no hydrogen 2.755 N/A LEU 292.A N ALA 288.A O no hydrogen 3.189 N/A LEU 293.A N ASN 289.A O no hydrogen 3.097 N/A LEU 294.A N VAL 290.A O no hydrogen 2.891 N/A LYS 295.A N LEU 292.A O no hydrogen 3.117 N/A LYS 295.A NZ GLU 232.A OE1 no hydrogen 2.919 N/A LYS 295.A NZ TYR 241.A OH no hydrogen 3.192 N/A LEU 296.A N LEU 293.A O no hydrogen 2.774 N/A PHE 297.A N LEU 294.A O no hydrogen 3.168 N/A GLY 298.A N LYS 295.A O no hydrogen 3.196 N/A GLN 299.A N LEU 294.A O no hydrogen 3.052 N/A GLN 299.A NE2 PHE 297.A O no hydrogen 3.024 N/A ASN 305.A N ASN 301.A O no hydrogen 2.907 N/A ASN 305.A ND2 ALA 291.A O no hydrogen 3.171 N/A ASN 305.A ND2 GLN 299.A O no hydrogen 2.850 N/A ALA 306.A N LEU 302.A O no hydrogen 2.879 N/A GLN 307.A N ARG 303.A O no hydrogen 2.977 N/A LEU 308.A N HIS 304.A O no hydrogen 2.885 N/A ALA 309.A N ASN 305.A O no hydrogen 2.860 N/A LEU 310.A N ALA 306.A O no hydrogen 2.826 N/A GLU 311.A N GLN 307.A O no hydrogen 3.018 N/A THR 312.A N LEU 308.A O no hydrogen 2.816 N/A THR 312.A OG1 LEU 308.A O no hydrogen 3.104 N/A ILE 313.A N ALA 309.A O no hydrogen 2.920 N/A ARG 314.A N LEU 310.A O no hydrogen 3.064 N/A ARG 314.A NE GLU 311.A OE1 no hydrogen 2.532 N/A ARG 314.A NH2 GLU 311.A OE1 no hydrogen 3.158 N/A SER 315.A N GLU 311.A O no hydrogen 2.966 N/A GLY 316.A N ILE 313.A O no hydrogen 2.550 N/A PHE 319.A N LEU 274.A O no hydrogen 3.294 N/A PHE 319.A N GLY 316.A O no hydrogen 3.135 N/A ARG 321.A N ALA 318.A O no hydrogen 2.695 N/A ARG 321.A NE SER 101.A OG no hydrogen 2.670 N/A ARG 321.A NH1 SER 101.A OG no hydrogen 3.210 N/A ARG 321.A NH2 LEU 141.A O no hydrogen 2.801 N/A VAL 322.A N PHE 319.A O no hydrogen 2.905 N/A THR 323.A N PHE 319.A O no hydrogen 3.382 N/A LEU 325.A N ARG 321.A O no hydrogen 3.330 N/A ALA 326.A N VAL 322.A O no hydrogen 2.973 N/A