Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rq5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 6.A N LEU 195.A O no hydrogen 3.010 N/A TRP 6.A NE1 ASN 232.A OD1 no hydrogen 2.855 N/A THR 7.A OG1 GLU 9.A OE1 no hydrogen 3.442 N/A THR 7.A OG1 HIS 10.A ND1 no hydrogen 2.994 N/A GLU 9.A N GLU 9.A OE1 no hydrogen 2.844 N/A HIS 10.A ND1 THR 7.A OG1 no hydrogen 2.994 N/A VAL 11.A N THR 7.A O no hydrogen 3.029 N/A ARG 12.A N GLU 8.A O no hydrogen 2.871 N/A ARG 12.A NE GLU 8.A OE2 no hydrogen 2.985 N/A ARG 12.A NH1 ARG 268.A O no hydrogen 3.134 N/A ARG 12.A NH2 GLU 8.A OE2 no hydrogen 2.950 N/A ARG 12.A NH2 ARG 268.A O no hydrogen 2.778 N/A ALA 13.A N GLU 9.A O no hydrogen 3.112 N/A THR 14.A N VAL 11.A O no hydrogen 3.093 N/A THR 14.A OG1 HIS 10.A O no hydrogen 2.761 N/A THR 14.A OG1 VAL 11.A O no hydrogen 3.389 N/A LEU 15.A N VAL 11.A O no hydrogen 3.005 N/A ARG 18.A NH1 GLY 48.A O no hydrogen 2.871 N/A ARG 18.A NH2 LEU 49.A O no hydrogen 3.067 N/A THR 20.A OG1 TYR 21.A O no hydrogen 3.388 N/A GLY 22.A N CYS 221.A O no hydrogen 3.189 N/A ALA 24.A N LYS 51.A O no hydrogen 2.952 N/A LEU 25.A N ALA 92.A O no hydrogen 3.047 N/A LEU 26.A N VAL 53.A O no hydrogen 2.814 N/A LEU 27.A N ALA 94.A O no hydrogen 2.764 N/A GLY 29.A N PRO 97.A O no hydrogen 2.875 N/A SER 30.A N MET 33.A O no hydrogen 3.246 N/A SER 30.A OG GLY 98.A O no hydrogen 2.718 N/A MET 33.A N SER 30.A OG no hydrogen 3.384 N/A ALA 37.A N PRO 34.A O no hydrogen 3.142 N/A LEU 39.A N GLY 35.A O no hydrogen 2.987 N/A ALA 40.A N ALA 36.A O no hydrogen 2.902 N/A GLY 41.A N ALA 37.A O no hydrogen 2.908 N/A LEU 42.A N LEU 38.A O no hydrogen 2.926 N/A GLY 43.A N LEU 39.A O no hydrogen 3.046 N/A ALA 44.A N ALA 40.A O no hydrogen 2.926 N/A MET 45.A N GLY 41.A O no hydrogen 2.959 N/A ARG 46.A N LEU 42.A O no hydrogen 2.942 N/A SER 47.A N ALA 44.A O no hydrogen 2.931 N/A SER 47.A OG GLY 43.A O no hydrogen 2.838 N/A GLY 50.A N GLY 22.A O no hydrogen 2.789 N/A LYS 51.A N GLY 22.A O no hydrogen 3.333 N/A VAL 53.A N ALA 24.A O no hydrogen 2.910 N/A ILE 54.A N THR 72.A O no hydrogen 2.849 N/A GLY 55.A N LEU 26.A O no hydrogen 2.727 N/A THR 56.A OG1 ALA 28.A O no hydrogen 2.748 N/A THR 56.A OG1 GLY 29.A O no hydrogen 3.101 N/A SER 57.A OG GLY 29.A O no hydrogen 3.493 N/A GLU 58.A N ASP 76.A OD1 no hydrogen 2.989 N/A ASN 59.A ND2 ASP 31.A OD2 no hydrogen 3.302 N/A VAL 60.A N SER 57.A O no hydrogen 2.894 N/A ILE 61.A N SER 57.A O no hydrogen 3.394 N/A LEU 63.A N VAL 60.A O no hydrogen 2.915 N/A ILE 64.A N ILE 61.A O no hydrogen 2.995 N/A VAL 65.A N ILE 61.A O no hydrogen 3.284 N/A VAL 67.A N ILE 64.A O no hydrogen 2.999 N/A LEU 68.A N ILE 64.A O no hydrogen 2.879 N/A ALA 71.A N LEU 68.A O no hydrogen 3.285 N/A THR 72.A N LEU 52.A O no hydrogen 2.972 N/A THR 72.A OG1 LEU 52.A O no hydrogen 3.246 N/A TRP 74.A N ILE 54.A O no hydrogen 3.001 N/A ARG 75.A NH1 GLU 58.A OE2 no hydrogen 2.809 N/A ASP 76.A N THR 56.A O no hydrogen 2.821 N/A GLY 77.A N TRP 74.A O no hydrogen 2.930 N/A TRP 78.A NE1 SER 57.A OG no hydrogen 3.066 N/A LYS 80.A N ASP 76.A O no hydrogen 2.915 N/A LYS 80.A NZ ARG 75.A O no hydrogen 2.788 N/A ALA 81.A N GLY 77.A O no hydrogen 2.836 N/A ALA 82.A N LYS 79.A O no hydrogen 3.130 N/A ASP 83.A N LYS 80.A O no hydrogen 3.030 N/A ARG 91.A N THR 23.A O no hydrogen 2.769 N/A ARG 91.A NH1 THR 20.A O no hydrogen 3.301 N/A ARG 91.A NH2 THR 20.A O no hydrogen 3.307 N/A ILE 93.A N PRO 118.A O no hydrogen 3.091 N/A ALA 94.A N LEU 25.A O no hydrogen 2.910 N/A ILE 95.A N ILE 120.A O no hydrogen 2.862 N/A GLY 96.A N LEU 27.A O no hydrogen 3.027 N/A LEU 99.A N GLY 96.A O no hydrogen 2.901 N/A THR 102.A N PRO 100.A O no hydrogen 2.983 N/A VAL 105.A N THR 102.A OG1 no hydrogen 3.381 N/A GLN 106.A N THR 102.A O no hydrogen 3.222 N/A GLN 106.A NE2 ALA 125.A O no hydrogen 3.021 N/A GLN 107.A N GLU 103.A O no hydrogen 2.893 N/A ALA 108.A N SER 104.A O no hydrogen 3.082 N/A VAL 109.A N VAL 105.A O no hydrogen 2.904 N/A ASP 110.A N GLN 106.A O no hydrogen 2.915 N/A HIS 111.A N GLN 107.A O no hydrogen 3.129 N/A HIS 111.A ND1 GLN 85.A OE1 no hydrogen 3.119 N/A VAL 112.A N ALA 108.A O no hydrogen 2.893 N/A LEU 113.A N VAL 109.A O no hydrogen 2.947 N/A THR 114.A N HIS 111.A O no hydrogen 3.241 N/A THR 114.A OG1 GLN 85.A OE1 no hydrogen 2.791 N/A THR 114.A OG1 HIS 111.A O no hydrogen 2.866 N/A ALA 115.A N VAL 112.A O no hydrogen 2.999 N/A CYS 117.A SG PRO 118.A O no hydrogen 3.659 N/A VAL 119.A N PRO 137.A O no hydrogen 2.971 N/A ILE 120.A N ILE 93.A O no hydrogen 2.796 N/A LEU 121.A N ILE 139.A O no hydrogen 2.835 N/A ASP 122.A N ILE 95.A O no hydrogen 3.042 N/A GLY 124.A N GLY 96.A O no hydrogen 3.277 N/A ALA 125.A N ASP 122.A O no hydrogen 2.917 N/A LEU 126.A N ALA 123.A O no hydrogen 2.975 N/A ARG 129.A NE THR 130.A O no hydrogen 2.864 N/A ARG 129.A NH1 GLN 106.A OE1 no hydrogen 2.974 N/A ARG 129.A NH1 ASP 110.A OD1 no hydrogen 2.798 N/A ARG 129.A NH2 ASP 110.A OD1 no hydrogen 2.792 N/A ARG 129.A NH2 THR 130.A O no hydrogen 3.222 N/A LYS 133.A NZ ARG 134.A O no hydrogen 3.298 N/A ARG 134.A NE LEU 113.A O no hydrogen 2.749 N/A ARG 134.A NH1 LEU 113.A O no hydrogen 3.456 N/A ARG 134.A NH1 CYS 117.A O no hydrogen 2.871 N/A ARG 134.A NH2 CYS 117.A O no hydrogen 2.922 N/A ARG 134.A NH2 GLY 136.A O no hydrogen 2.907 N/A ILE 139.A N VAL 119.A O no hydrogen 2.767 N/A LEU 140.A N VAL 176.A O no hydrogen 2.870 N/A THR 141.A N LEU 121.A O no hydrogen 3.153 N/A HIS 143.A N GLU 146.A OE1 no hydrogen 2.888 N/A PHE 147.A N HIS 143.A O no hydrogen 2.962 N/A PHE 148.A N PRO 144.A O no hydrogen 2.968 N/A ARG 149.A N GLY 145.A O no hydrogen 3.145 N/A ARG 149.A NE LEU 126.A O no hydrogen 3.121 N/A ARG 149.A NH2 LEU 126.A O no hydrogen 2.940 N/A MET 150.A N GLU 146.A O no hydrogen 2.905 N/A THR 151.A N PHE 147.A O no hydrogen 2.925 N/A THR 151.A N PHE 148.A O no hydrogen 3.354 N/A THR 151.A OG1 PHE 147.A O no hydrogen 2.731 N/A GLY 152.A N PHE 148.A O no hydrogen 2.772 N/A VAL 153.A N THR 151.A OG1 no hydrogen 3.063 N/A GLU 157.A N PRO 154.A O no hydrogen 3.145 N/A LEU 158.A N PRO 154.A O no hydrogen 2.930 N/A GLN 159.A N VAL 155.A O no hydrogen 2.976 N/A LYS 160.A N GLU 157.A O no hydrogen 3.081 N/A LYS 161.A N LEU 158.A O no hydrogen 3.047 N/A LYS 161.A NZ GLU 164.A OE1 no hydrogen 2.909 N/A ARG 162.A NH1 GLN 159.A OE1 no hydrogen 2.879 N/A ARG 162.A NH1 LYS 180.A O no hydrogen 2.982 N/A ARG 162.A NH2 LEU 179.A O no hydrogen 2.979 N/A ARG 162.A NH2 GLN 183.A O no hydrogen 3.075 N/A TYR 165.A N LYS 161.A O no hydrogen 3.027 N/A TYR 165.A OH GLU 157.A OE1 no hydrogen 3.037 N/A ALA 166.A N ARG 162.A O no hydrogen 2.899 N/A LYS 167.A N ALA 163.A O no hydrogen 2.854 N/A GLU 168.A N GLU 164.A O no hydrogen 3.005 N/A TRP 169.A N TYR 165.A O no hydrogen 2.976 N/A ALA 170.A N ALA 166.A O no hydrogen 2.897 N/A ALA 171.A N LYS 167.A O no hydrogen 3.050 N/A GLN 172.A N GLU 168.A O no hydrogen 2.984 N/A LEU 173.A N TRP 169.A O no hydrogen 2.852 N/A GLN 174.A N ALA 171.A O no hydrogen 3.352 N/A GLN 174.A NE2 ALA 171.A O no hydrogen 2.818 N/A GLN 174.A NE2 PRO 189.A O no hydrogen 3.070 N/A THR 175.A N ALA 170.A O no hydrogen 3.247 N/A THR 175.A OG1 VAL 176.A O no hydrogen 3.546 N/A VAL 176.A N VAL 138.A O no hydrogen 2.802 N/A ILE 177.A N ALA 187.A O no hydrogen 2.778 N/A VAL 178.A N LEU 140.A O no hydrogen 2.790 N/A LEU 179.A N VAL 185.A O no hydrogen 2.851 N/A LYS 180.A N PRO 142.A O no hydrogen 3.015 N/A LYS 180.A NZ HIS 143.A NE2 no hydrogen 3.371 N/A GLY 181.A N THR 184.A OG1 no hydrogen 3.366 N/A THR 184.A OG1 GLY 181.A O no hydrogen 3.152 N/A VAL 185.A N LEU 179.A O no hydrogen 2.971 N/A ILE 186.A N TRP 194.A O no hydrogen 2.824 N/A ALA 187.A N ILE 177.A O no hydrogen 2.869 N/A PHE 188.A N ASP 192.A O no hydrogen 2.871 N/A GLY 191.A N PHE 188.A O no hydrogen 2.966 N/A ASP 192.A N ASP 190.A OD1 no hydrogen 2.971 N/A CYS 193.A SG ILE 186.A O no hydrogen 3.714 N/A TRP 194.A N ILE 186.A O no hydrogen 2.897 N/A LEU 195.A N PRO 4.A O no hydrogen 2.817 N/A ASN 196.A N THR 184.A O no hydrogen 2.845 N/A ASN 196.A ND2 THR 198.A OG1 no hydrogen 3.003 N/A THR 198.A OG1 TYR 235.A O no hydrogen 2.735 N/A GLY 199.A N GLU 242.A OE2 no hydrogen 2.856 N/A ASN 200.A ND2 ALA 241.A O no hydrogen 3.378 N/A ALA 202.A N ASN 200.A OD1 no hydrogen 2.904 N/A LEU 203.A N ASN 200.A O no hydrogen 3.132 N/A ALA 204.A N GLY 201.A O no hydrogen 3.005 N/A LYS 205.A N LEU 203.A O no hydrogen 2.847 N/A LYS 205.A NZ HIS 251.A O no hydrogen 2.821 N/A LYS 205.A NZ LEU 253.A O no hydrogen 2.838 N/A THR 208.A N LYS 205.A O no hydrogen 3.441 N/A THR 208.A OG1 LEU 203.A O no hydrogen 2.721 N/A THR 208.A OG1 LYS 205.A O no hydrogen 3.352 N/A THR 211.A N GLY 207.A O no hydrogen 3.137 N/A THR 211.A OG1 GLY 207.A O no hydrogen 3.317 N/A LEU 212.A N THR 208.A O no hydrogen 3.045 N/A THR 213.A N GLY 209.A O no hydrogen 2.987 N/A THR 213.A OG1 ASP 122.A OD2 no hydrogen 2.705 N/A THR 213.A OG1 GLY 209.A O no hydrogen 3.206 N/A GLY 214.A N ASP 210.A O no hydrogen 3.181 N/A MET 215.A N THR 211.A O no hydrogen 2.910 N/A ILE 216.A N LEU 212.A O no hydrogen 2.932 N/A LEU 217.A N THR 213.A O no hydrogen 2.998 N/A GLY 218.A N GLY 214.A O no hydrogen 2.914 N/A MET 219.A N MET 215.A O no hydrogen 2.902 N/A LEU 220.A N ILE 216.A O no hydrogen 2.933 N/A CYS 221.A N GLY 218.A O no hydrogen 2.871 N/A CYS 221.A SG LEU 217.A O no hydrogen 3.565 N/A CYS 222.A N MET 219.A O no hydrogen 3.150 N/A CYS 222.A SG SER 47.A O no hydrogen 3.492 N/A CYS 222.A SG GLY 218.A O no hydrogen 3.891 N/A CYS 222.A SG MET 219.A O no hydrogen 3.728 N/A CYS 222.A SG HIS 223.A ND1 no hydrogen 3.809 N/A HIS 223.A N MET 219.A O no hydrogen 3.037 N/A HIS 223.A ND1 MET 219.A O no hydrogen 2.915 N/A LYS 227.A N ASP 225.A OD1 no hydrogen 2.881 N/A LYS 227.A NZ ASP 190.A OD1 no hydrogen 3.545 N/A LYS 227.A NZ ASP 190.A OD2 no hydrogen 2.816 N/A LYS 227.A NZ ASP 192.A OD2 no hydrogen 2.861 N/A ALA 229.A N ASP 225.A O no hydrogen 3.190 N/A VAL 230.A N PRO 226.A O no hydrogen 3.094 N/A LEU 231.A N LYS 227.A O no hydrogen 3.111 N/A ASN 232.A N HIS 228.A O no hydrogen 2.815 N/A ASN 232.A ND2 THR 14.A OG1 no hydrogen 2.950 N/A ASN 232.A ND2 HIS 223.A NE2 no hydrogen 3.034 N/A ALA 233.A N ALA 229.A O no hydrogen 2.984 N/A VAL 234.A N VAL 230.A O no hydrogen 3.082 N/A TYR 235.A N LEU 231.A O no hydrogen 2.988 N/A LEU 236.A N ASN 232.A O no hydrogen 2.827 N/A HIS 237.A N ALA 233.A O no hydrogen 2.939 N/A HIS 237.A NE2 THR 208.A O no hydrogen 2.848 N/A GLY 238.A N VAL 234.A O no hydrogen 3.183 N/A ALA 239.A N TYR 235.A O no hydrogen 2.957 N/A CYS 240.A N LEU 236.A O no hydrogen 2.901 N/A CYS 240.A SG LEU 236.A O no hydrogen 3.293 N/A CYS 240.A SG LEU 258.A O no hydrogen 3.488 N/A GLU 242.A N GLY 238.A O no hydrogen 3.053 N/A LEU 243.A N ALA 239.A O no hydrogen 2.932 N/A TRP 244.A N CYS 240.A O no hydrogen 3.029 N/A TRP 244.A NE1 SER 249.A O no hydrogen 3.077 N/A THR 245.A N ALA 241.A O no hydrogen 3.118 N/A THR 245.A OG1 ALA 241.A O no hydrogen 3.453 N/A THR 245.A OG1 GLU 242.A O no hydrogen 3.115 N/A ASP 246.A N LEU 243.A O no hydrogen 3.080 N/A GLU 247.A N TRP 244.A O no hydrogen 3.404 N/A HIS 248.A N TRP 244.A O no hydrogen 3.112 N/A HIS 248.A ND1 TRP 244.A O no hydrogen 2.822 N/A HIS 251.A N SER 249.A OG no hydrogen 3.121 N/A THR 252.A N SER 249.A O no hydrogen 3.058 N/A THR 252.A OG1 SER 249.A O no hydrogen 2.751 N/A LEU 254.A N GLU 257.A OE1 no hydrogen 2.995 N/A GLU 257.A N LEU 254.A O no hydrogen 2.852 N/A LEU 258.A N ALA 255.A O no hydrogen 2.930 N/A ASP 260.A N HIS 256.A O no hydrogen 3.358 N/A ILE 261.A N GLU 257.A O no hydrogen 2.934 N/A ILE 261.A N LEU 258.A O no hydrogen 3.238 N/A LEU 262.A N LEU 258.A O no hydrogen 2.993 N/A ARG 264.A N ILE 261.A O no hydrogen 3.104 N/A VAL 265.A N ILE 261.A O no hydrogen 3.131 N/A TRP 266.A N LEU 262.A O no hydrogen 2.812 N/A LYS 267.A N PRO 263.A O no hydrogen 3.362 N/A ARG 268.A N ARG 264.A O no hydrogen 3.409 N/A ARG 268.A N VAL 265.A O no hydrogen 3.060 N/A PHE 269.A N TRP 266.A O no hydrogen 2.969 N/A GLU 270.A N LYS 267.A O no hydrogen 3.164 N/A