Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1b39_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLU 2.A OE1 no hydrogen 3.018 N/A GLN 5.A N ARG 22.A O no hydrogen 3.135 N/A VAL 7.A N LYS 20.A O no hydrogen 2.939 N/A GLU 8.A N LYS 20.A O no hydrogen 3.482 N/A LYS 9.A NZ GLU 12.A OE1 no hydrogen 2.412 N/A GLY 11.A N VAL 18.A O no hydrogen 3.111 N/A GLY 13.A N GLY 16.A O no hydrogen 2.979 N/A VAL 17.A N LYS 34.A O no hydrogen 3.127 N/A VAL 18.A N GLY 11.A O no hydrogen 2.794 N/A TYR 19.A N LEU 32.A O no hydrogen 2.899 N/A LYS 20.A N GLU 8.A O no hydrogen 2.700 N/A ALA 21.A N VAL 30.A O no hydrogen 2.624 N/A ARG 22.A N GLN 5.A O no hydrogen 3.013 N/A ASN 23.A N GLU 28.A O no hydrogen 2.777 N/A LYS 24.A N ASN 3.A O no hydrogen 3.067 N/A LYS 24.A NZ GLU 2.A O no hydrogen 2.399 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.408 N/A THR 26.A N ASN 23.A OD1 no hydrogen 2.932 N/A GLY 27.A N ASN 23.A O no hydrogen 2.883 N/A VAL 30.A N ALA 21.A O no hydrogen 2.757 N/A ALA 31.A N PHE 72.A O no hydrogen 3.159 N/A LEU 32.A N TYR 19.A O no hydrogen 2.865 N/A LYS 33.A N LEU 70.A O no hydrogen 2.606 N/A LYS 33.A NZ ASP 137.A OD1 no hydrogen 3.471 N/A LYS 33.A NZ ASP 137.A OD2 no hydrogen 3.252 N/A LYS 34.A N VAL 17.A O no hydrogen 2.792 N/A ILE 35.A N LEU 68.A O no hydrogen 3.067 N/A ILE 41.A N PRO 37.A O no hydrogen 2.839 N/A ARG 42.A N SER 38.A O no hydrogen 2.949 N/A GLU 43.A N THR 39.A O no hydrogen 3.025 N/A ILE 44.A N ALA 40.A O no hydrogen 2.986 N/A SER 45.A N ILE 41.A O no hydrogen 2.988 N/A SER 45.A OG ILE 41.A O no hydrogen 2.782 N/A LEU 46.A N ARG 42.A O no hydrogen 3.096 N/A LEU 47.A N ILE 44.A O no hydrogen 3.028 N/A LYS 48.A N SER 45.A O no hydrogen 3.219 N/A GLU 49.A N LEU 46.A O no hydrogen 3.262 N/A LEU 50.A N LEU 47.A O no hydrogen 2.891 N/A ASN 51.A ND2 LYS 48.A O no hydrogen 3.634 N/A ASN 54.A ND2 GLN 102.A OE1 no hydrogen 3.000 N/A ASN 54.A ND2 ILE 133.A O no hydrogen 3.003 N/A ILE 55.A N HIS 52.A O no hydrogen 2.942 N/A VAL 56.A N LEU 135.A O no hydrogen 3.189 N/A LYS 57.A N GLU 73.A OE1 no hydrogen 2.847 N/A LYS 57.A NZ ASN 51.A OD1 no hydrogen 3.360 N/A LEU 59.A N VAL 71.A O no hydrogen 2.675 N/A ASP 60.A N VAL 71.A O no hydrogen 3.250 N/A ILE 62.A N TYR 69.A O no hydrogen 2.943 N/A THR 64.A N LYS 67.A O no hydrogen 2.893 N/A THR 64.A OG1 GLU 65.A OE1 no hydrogen 2.843 N/A LYS 67.A N THR 64.A O no hydrogen 2.572 N/A TYR 69.A N ILE 62.A O no hydrogen 2.857 N/A LEU 70.A N LYS 33.A O no hydrogen 2.971 N/A VAL 71.A N ASP 60.A O no hydrogen 2.939 N/A PHE 72.A N ALA 31.A O no hydrogen 2.793 N/A GLU 73.A N LYS 57.A O no hydrogen 2.814 N/A LEU 79.A N LEU 125.A O no hydrogen 2.930 N/A LYS 81.A N ASP 78.A OD1 no hydrogen 2.734 N/A PHE 82.A N ASP 78.A O no hydrogen 3.092 N/A MET 83.A N LEU 79.A O no hydrogen 2.732 N/A ASP 84.A N LYS 80.A O no hydrogen 2.966 N/A ALA 85.A N LYS 81.A O no hydrogen 2.859 N/A SER 86.A N PHE 82.A O no hydrogen 3.004 N/A SER 86.A N MET 83.A O no hydrogen 3.144 N/A SER 86.A OG PHE 82.A O no hydrogen 2.950 N/A ALA 87.A N ASP 84.A O no hydrogen 3.106 N/A THR 89.A N SER 86.A O no hydrogen 3.190 N/A THR 89.A OG1 SER 86.A O no hydrogen 3.316 N/A THR 89.A OG1 GLY 90.A O no hydrogen 3.458 N/A GLY 90.A N SER 86.A O no hydrogen 2.498 N/A LEU 95.A N PRO 92.A O no hydrogen 2.868 N/A ILE 96.A N PRO 92.A O no hydrogen 3.182 N/A LYS 97.A N LEU 93.A O no hydrogen 2.883 N/A LYS 97.A NZ PHE 277.A O no hydrogen 2.923 N/A LYS 97.A NZ ASP 280.A OD1 no hydrogen 2.553 N/A SER 98.A N PRO 94.A O no hydrogen 3.080 N/A SER 98.A OG THR 282.A O no hydrogen 3.239 N/A TYR 99.A N LEU 95.A O no hydrogen 2.778 N/A LEU 100.A N ILE 96.A O no hydrogen 2.901 N/A PHE 101.A N LYS 97.A O no hydrogen 3.169 N/A GLN 102.A N SER 98.A O no hydrogen 2.861 N/A GLN 102.A NE2 SER 98.A O no hydrogen 3.462 N/A GLN 102.A NE2 SER 98.A OG no hydrogen 3.244 N/A GLN 102.A NE2 GLY 131.A O no hydrogen 2.844 N/A LEU 103.A N TYR 99.A O no hydrogen 2.948 N/A LEU 104.A N LEU 100.A O no hydrogen 2.721 N/A GLN 105.A N PHE 101.A O no hydrogen 3.049 N/A GLY 106.A N GLN 102.A O no hydrogen 2.988 N/A LEU 107.A N LEU 103.A O no hydrogen 2.887 N/A ALA 108.A N LEU 104.A O no hydrogen 2.946 N/A PHE 109.A N GLN 105.A O no hydrogen 2.962 N/A CYS 110.A N GLY 106.A O no hydrogen 3.049 N/A CYS 110.A SG GLY 106.A O no hydrogen 3.648 N/A HIS 111.A N LEU 107.A O no hydrogen 2.708 N/A HIS 111.A NE2 ASP 177.A OD2 no hydrogen 3.003 N/A SER 112.A N ALA 108.A O no hydrogen 2.924 N/A SER 112.A N PHE 109.A O no hydrogen 3.248 N/A SER 112.A OG ALA 108.A O no hydrogen 3.393 N/A SER 112.A OG PHE 109.A O no hydrogen 2.688 N/A HIS 113.A N CYS 110.A O no hydrogen 2.926 N/A HIS 113.A ND1 PHE 109.A O no hydrogen 3.193 N/A ARG 114.A N HIS 111.A O no hydrogen 2.964 N/A ARG 114.A NE HIS 111.A O no hydrogen 3.178 N/A ARG 114.A NH2 HIS 111.A O no hydrogen 3.491 N/A VAL 115.A N CYS 110.A O no hydrogen 2.884 N/A HIS 117.A N ASP 177.A OD2 no hydrogen 2.744 N/A ARG 118.A N ASP 177.A OD1 no hydrogen 2.798 N/A ARG 118.A NE ARG 118.A O no hydrogen 2.989 N/A LYS 121.A NZ ASP 119.A OD2 no hydrogen 2.708 N/A ASN 124.A N LYS 121.A O no hydrogen 2.932 N/A ASN 124.A ND2 ASP 119.A O no hydrogen 3.207 N/A LEU 125.A N PRO 122.A O no hydrogen 3.137 N/A LEU 126.A N LYS 134.A O no hydrogen 3.067 N/A ILE 127.A N GLN 77.A O no hydrogen 2.904 N/A ASN 128.A N ALA 132.A O no hydrogen 3.342 N/A GLU 130.A N ASN 128.A OD1 no hydrogen 3.146 N/A ALA 132.A N ASN 128.A OD1 no hydrogen 3.109 N/A ILE 133.A N GLN 102.A OE1 no hydrogen 3.058 N/A LYS 134.A N LEU 126.A O no hydrogen 2.749 N/A LYS 134.A NZ PRO 53.A O no hydrogen 3.276 N/A LYS 134.A NZ GLU 73.A OE2 no hydrogen 3.045 N/A LEU 135.A N ASN 54.A O no hydrogen 2.672 N/A ALA 136.A N ASN 124.A O no hydrogen 2.815 N/A ALA 143.A N GLY 139.A O no hydrogen 3.187 N/A PHE 144.A N LEU 140.A O no hydrogen 2.966 N/A GLY 145.A N ALA 141.A O no hydrogen 2.885 N/A THR 150.A OG1 GLU 154.A O no hydrogen 2.694 N/A TYR 151.A N THR 14.A O no hydrogen 3.035 N/A HIS 153.A N THR 150.A O no hydrogen 2.950 N/A TRP 159.A NE1 GLY 197.A O no hydrogen 3.103 N/A TYR 160.A OH GLU 187.A OE1 no hydrogen 2.544 N/A ARG 161.A N LEU 158.A O no hydrogen 2.937 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.707 N/A LEU 166.A N ALA 162.A O no hydrogen 3.291 N/A LEU 167.A N PRO 163.A O no hydrogen 3.151 N/A GLY 168.A N ILE 165.A O no hydrogen 2.993 N/A CYS 169.A N GLU 164.A O no hydrogen 2.885 N/A ALA 175.A N SER 173.A OG no hydrogen 3.037 N/A VAL 176.A N SER 173.A O no hydrogen 3.160 N/A ASP 177.A N THR 174.A O no hydrogen 3.151 N/A TRP 179.A N ALA 175.A O no hydrogen 3.212 N/A SER 180.A N VAL 176.A O no hydrogen 3.266 N/A SER 180.A OG TYR 160.A O no hydrogen 2.712 N/A SER 180.A OG VAL 176.A O no hydrogen 3.214 N/A LEU 181.A N ASP 177.A O no hydrogen 3.013 N/A GLY 182.A N ILE 178.A O no hydrogen 3.056 N/A CYS 183.A N TRP 179.A O no hydrogen 3.080 N/A CYS 183.A SG TRP 159.A O no hydrogen 4.027 N/A CYS 183.A SG TRP 179.A O no hydrogen 3.594 N/A ILE 184.A N SER 180.A O no hydrogen 2.925 N/A PHE 185.A N LEU 181.A O no hydrogen 2.811 N/A ALA 186.A N GLY 182.A O no hydrogen 2.986 N/A GLU 187.A N CYS 183.A O no hydrogen 3.100 N/A MET 188.A N ILE 184.A O no hydrogen 2.939 N/A VAL 189.A N PHE 185.A O no hydrogen 3.244 N/A THR 190.A N ALA 186.A O no hydrogen 3.131 N/A THR 190.A OG1 ALA 186.A O no hydrogen 3.344 N/A ARG 191.A N GLU 187.A O no hydrogen 2.802 N/A ARG 191.A NH1 ALA 87.A O no hydrogen 2.691 N/A ARG 191.A NH1 LEU 88.A O no hydrogen 2.939 N/A ARG 192.A N THR 190.A OG1 no hydrogen 2.981 N/A GLY 197.A N PHE 195.A O no hydrogen 2.946 N/A GLY 197.A N GLN 203.A OE1 no hydrogen 2.640 N/A ASP 198.A N ASP 202.A OD2 no hydrogen 2.938 N/A GLN 203.A N SER 199.A O no hydrogen 2.749 N/A GLN 203.A NE2 TRP 159.A O no hydrogen 3.350 N/A GLN 203.A NE2 PHE 195.A O no hydrogen 3.109 N/A LEU 204.A N GLU 200.A O no hydrogen 3.238 N/A PHE 205.A N ILE 201.A O no hydrogen 2.897 N/A ARG 206.A N ASP 202.A O no hydrogen 2.964 N/A ARG 206.A NE ASP 202.A OD2 no hydrogen 2.881 N/A ILE 207.A N GLN 203.A O no hydrogen 3.145 N/A PHE 208.A N LEU 204.A O no hydrogen 2.801 N/A ARG 209.A N PHE 205.A O no hydrogen 3.032 N/A THR 210.A N ILE 207.A O no hydrogen 3.273 N/A THR 210.A OG1 ARG 206.A O no hydrogen 3.432 N/A LEU 211.A N ILE 207.A O no hydrogen 2.970 N/A GLY 212.A N PHE 208.A O no hydrogen 2.798 N/A THR 213.A N TRP 235.A O no hydrogen 2.984 N/A THR 213.A OG1 PRO 233.A O no hydrogen 2.858 N/A VAL 218.A N ASP 215.A OD1 no hydrogen 2.927 N/A TRP 219.A N ASP 215.A O no hydrogen 2.974 N/A GLY 221.A N GLU 216.A OE1 no hydrogen 2.839 N/A VAL 222.A N TRP 219.A O no hydrogen 2.958 N/A THR 223.A N GLU 216.A OE2 no hydrogen 3.153 N/A THR 223.A OG1 GLU 216.A OE2 no hydrogen 2.776 N/A SER 224.A N GLY 221.A O no hydrogen 3.071 N/A SER 224.A OG GLY 221.A O no hydrogen 3.443 N/A MET 225.A N VAL 222.A O no hydrogen 3.115 N/A ASP 227.A N LEU 167.A O no hydrogen 2.977 N/A TYR 228.A N MET 225.A O no hydrogen 3.113 N/A PHE 232.A N LYS 229.A O no hydrogen 2.906 N/A TRP 235.A N THR 213.A OG1 no hydrogen 3.104 N/A ARG 237.A NH1 LEU 211.A O no hydrogen 3.466 N/A GLN 238.A N THR 210.A O no hydrogen 2.985 N/A GLN 238.A NE2 ALA 236.A O no hydrogen 3.297 N/A LYS 242.A N ASP 239.A O no hydrogen 3.003 N/A VAL 244.A N PHE 240.A O no hydrogen 3.011 N/A LEU 247.A N VAL 244.A O no hydrogen 3.001 N/A GLY 251.A N ASP 248.A OD1 no hydrogen 3.198 N/A ARG 252.A N ASP 248.A O no hydrogen 2.866 N/A ARG 252.A NE GLU 249.A OE1 no hydrogen 3.419 N/A ARG 252.A NH2 GLU 249.A OE1 no hydrogen 3.100 N/A SER 253.A N GLU 249.A O no hydrogen 3.047 N/A SER 253.A OG HIS 275.A NE2 no hydrogen 3.294 N/A LEU 254.A N ASP 250.A O no hydrogen 2.861 N/A LEU 255.A N GLY 251.A O no hydrogen 2.965 N/A SER 256.A N ARG 252.A O no hydrogen 2.737 N/A SER 256.A OG SER 253.A O no hydrogen 3.337 N/A GLN 257.A N SER 253.A O no hydrogen 3.260 N/A GLN 257.A NE2 SER 253.A O no hydrogen 3.552 N/A MET 258.A N LEU 254.A O no hydrogen 3.071 N/A LEU 259.A N LEU 255.A O no hydrogen 3.029 N/A HIS 260.A ND1 LYS 265.A O no hydrogen 3.246 N/A TYR 261.A OH GLY 212.A O no hydrogen 2.497 N/A ASN 264.A N ASP 262.A OD1 no hydrogen 2.958 N/A LYS 265.A N ASP 262.A O no hydrogen 2.870 N/A ARG 266.A NE HIS 260.A O no hydrogen 2.775 N/A ARG 266.A NH1 GLU 164.A OE1 no hydrogen 3.405 N/A ARG 266.A NH1 GLU 164.A OE2 no hydrogen 2.704 N/A ARG 266.A NH1 ALA 175.A O no hydrogen 3.005 N/A ARG 266.A NH2 GLU 164.A OE1 no hydrogen 2.697 N/A ARG 266.A NH2 GLU 164.A OE2 no hydrogen 3.443 N/A ARG 266.A NH2 HIS 260.A O no hydrogen 3.268 N/A ARG 266.A NH2 TYR 261.A O no hydrogen 3.083 N/A ILE 267.A N GLN 257.A O no hydrogen 3.235 N/A ALA 271.A N SER 268.A OG no hydrogen 3.024 N/A ALA 272.A N SER 268.A O no hydrogen 2.883 N/A LEU 273.A N ALA 269.A O no hydrogen 3.213 N/A ALA 274.A N ALA 271.A O no hydrogen 2.978 N/A HIS 275.A N ALA 272.A O no hydrogen 2.881 N/A HIS 275.A NE2 SER 253.A OG no hydrogen 3.294 N/A PHE 277.A N HIS 275.A ND1 no hydrogen 3.014 N/A PHE 278.A N HIS 275.A O no hydrogen 3.161 N/A GLN 279.A N PRO 276.A O no hydrogen 2.963 N/A VAL 281.A N PHE 278.A O no hydrogen 3.005 N/A