Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3geq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A NE2 GLN 6.A O no hydrogen 3.045 N/A GLN 6.A NE2 THR 5.A OG1 no hydrogen 3.356 N/A TRP 13.A N ASP 11.A OD1 no hydrogen 2.889 N/A ILE 15.A N VAL 81.A O no hydrogen 3.121 N/A ARG 17.A NH1 PRO 86.A O no hydrogen 3.229 N/A ARG 17.A NH2 GLU 84.A O no hydrogen 2.452 N/A ARG 17.A NH2 PRO 86.A O no hydrogen 3.369 N/A GLU 18.A N GLU 18.A OE1 no hydrogen 2.703 N/A SER 19.A N PRO 16.A O no hydrogen 2.778 N/A SER 19.A OG PRO 16.A O no hydrogen 2.464 N/A LEU 20.A N ARG 17.A O no hydrogen 3.202 N/A GLU 23.A N MET 36.A O no hydrogen 2.915 N/A VAL 24.A N MET 36.A O no hydrogen 3.036 N/A LYS 25.A NZ GLN 28.A OE1 no hydrogen 2.655 N/A LYS 25.A NZ GLU 33.A OE2 no hydrogen 2.932 N/A LEU 26.A N VAL 34.A O no hydrogen 2.789 N/A GLY 27.A N VAL 34.A O no hydrogen 2.939 N/A GLY 29.A N GLY 32.A O no hydrogen 2.924 N/A GLU 33.A N THR 49.A OG1 no hydrogen 3.178 N/A VAL 34.A N GLY 27.A O no hydrogen 3.031 N/A TRP 35.A N ILE 47.A O no hydrogen 2.801 N/A TRP 35.A NE1 GLU 33.A OE1 no hydrogen 3.090 N/A MET 36.A N VAL 24.A O no hydrogen 2.701 N/A GLY 37.A N VAL 45.A O no hydrogen 2.772 N/A THR 38.A N ARG 21.A O no hydrogen 3.414 N/A TRP 39.A N THR 43.A O no hydrogen 2.653 N/A ASN 40.A N SER 19.A O no hydrogen 2.664 N/A THR 42.A OG1 ASN 40.A O no hydrogen 3.312 N/A VAL 45.A N GLY 37.A O no hydrogen 2.630 N/A ALA 46.A N THR 91.A O no hydrogen 2.937 N/A ILE 47.A N TRP 35.A O no hydrogen 2.690 N/A LYS 48.A N ILE 89.A O no hydrogen 2.868 N/A LYS 48.A NZ GLU 63.A OE1 no hydrogen 3.270 N/A LYS 48.A NZ GLU 63.A OE2 no hydrogen 3.464 N/A THR 49.A N GLU 33.A O no hydrogen 2.746 N/A THR 49.A OG1 GLU 33.A O no hydrogen 3.215 N/A THR 54.A OG1 LYS 51.A O no hydrogen 2.671 N/A THR 54.A OG1 PRO 52.A O no hydrogen 3.353 N/A PHE 60.A N SER 56.A O no hydrogen 3.000 N/A LEU 61.A N PRO 57.A O no hydrogen 3.341 N/A GLN 62.A N ALA 59.A O no hydrogen 2.846 N/A GLU 63.A N PHE 60.A O no hydrogen 3.376 N/A GLN 65.A N LEU 61.A O no hydrogen 2.943 N/A GLN 65.A NE2 LEU 61.A O no hydrogen 3.310 N/A VAL 66.A N GLN 62.A O no hydrogen 3.000 N/A MET 67.A N GLU 63.A O no hydrogen 3.203 N/A LYS 68.A N GLN 65.A O no hydrogen 2.882 N/A LYS 68.A NZ GLN 65.A OE1 no hydrogen 3.565 N/A LYS 69.A N GLN 65.A O no hydrogen 3.260 N/A LYS 69.A N VAL 66.A O no hydrogen 3.120 N/A LEU 70.A N VAL 66.A O no hydrogen 2.964 N/A ARG 71.A N TYR 129.A OH no hydrogen 2.737 N/A LYS 74.A N HIS 72.A ND1 no hydrogen 2.982 N/A LYS 74.A NZ GLN 122.A OE1 no hydrogen 3.389 N/A LEU 75.A N HIS 72.A O no hydrogen 2.915 N/A VAL 76.A N VAL 155.A O no hydrogen 3.079 N/A GLN 77.A N GLU 92.A OE2 no hydrogen 2.731 N/A GLN 77.A NE2 LEU 78.A O no hydrogen 3.189 N/A TYR 79.A N VAL 90.A O no hydrogen 2.668 N/A ALA 80.A N VAL 90.A O no hydrogen 3.203 N/A VAL 81.A N TRP 13.A O no hydrogen 3.283 N/A VAL 82.A N TYR 88.A O no hydrogen 2.886 N/A SER 83.A N GLU 14.A OE1 no hydrogen 3.422 N/A SER 83.A OG GLU 14.A OE1 no hydrogen 3.321 N/A TYR 88.A N VAL 82.A O no hydrogen 3.132 N/A ILE 89.A N LYS 48.A O no hydrogen 3.021 N/A VAL 90.A N ALA 80.A O no hydrogen 2.704 N/A THR 91.A N ALA 46.A O no hydrogen 2.845 N/A THR 91.A OG1 GLU 92.A O no hydrogen 3.058 N/A GLU 92.A N GLN 77.A O no hydrogen 2.976 N/A SER 95.A OG GLU 149.A OE2 no hydrogen 2.882 N/A LYS 96.A N VAL 147.A O no hydrogen 2.967 N/A LYS 96.A NZ GLU 149.A OE2 no hydrogen 3.489 N/A GLY 97.A N MET 94.A O no hydrogen 3.379 N/A SER 98.A OG ASP 101.A OD2 no hydrogen 2.629 N/A LEU 99.A N ILE 145.A O no hydrogen 2.680 N/A LEU 100.A N ALA 142.A O no hydrogen 3.208 N/A ASP 101.A N SER 98.A OG no hydrogen 3.199 N/A PHE 102.A N SER 98.A O no hydrogen 3.081 N/A LEU 103.A N LEU 99.A O no hydrogen 2.889 N/A LYS 104.A N LEU 100.A O no hydrogen 3.127 N/A GLY 105.A N PHE 102.A O no hydrogen 3.365 N/A GLY 108.A N GLY 105.A O no hydrogen 3.114 N/A LEU 111.A N GLY 108.A O no hydrogen 2.996 N/A ARG 112.A NH1 LYS 109.A O no hydrogen 2.993 N/A ARG 112.A NH1 LEU 111.A O no hydrogen 2.821 N/A LEU 113.A N LEU 272.A O no hydrogen 2.910 N/A GLN 115.A N GLN 115.A OE1 no hydrogen 3.086 N/A LEU 116.A N ARG 112.A O no hydrogen 3.032 N/A VAL 117.A N LEU 113.A O no hydrogen 2.812 N/A ASP 118.A N PRO 114.A O no hydrogen 3.141 N/A MET 119.A N GLN 115.A O no hydrogen 2.943 N/A ALA 120.A N LEU 116.A O no hydrogen 3.105 N/A ALA 121.A N VAL 117.A O no hydrogen 2.908 N/A GLN 122.A N ASP 118.A O no hydrogen 3.002 N/A GLN 122.A NE2 ASP 118.A OD2 no hydrogen 2.982 N/A GLN 122.A NE2 LEU 151.A O no hydrogen 3.651 N/A ILE 123.A N MET 119.A O no hydrogen 2.961 N/A ALA 124.A N ALA 120.A O no hydrogen 2.777 N/A SER 125.A N ALA 121.A O no hydrogen 2.867 N/A GLY 126.A N GLN 122.A O no hydrogen 3.032 N/A MET 127.A N ILE 123.A O no hydrogen 2.907 N/A ALA 128.A N ALA 124.A O no hydrogen 2.695 N/A TYR 129.A N SER 125.A O no hydrogen 3.099 N/A VAL 130.A N GLY 126.A O no hydrogen 3.119 N/A GLU 131.A N MET 127.A O no hydrogen 2.776 N/A ARG 132.A N ALA 128.A O no hydrogen 2.972 N/A MET 133.A N VAL 130.A O no hydrogen 3.044 N/A ASN 134.A N GLU 131.A O no hydrogen 3.285 N/A TYR 135.A N VAL 130.A O no hydrogen 3.221 N/A VAL 136.A N ARG 162.A O no hydrogen 3.122 N/A HIS 137.A N ASP 183.A OD2 no hydrogen 2.575 N/A HIS 137.A NE2 ALA 156.A O no hydrogen 2.916 N/A ARG 138.A N ASP 183.A OD1 no hydrogen 2.918 N/A ARG 138.A NH1 LEU 160.A O no hydrogen 3.559 N/A ASP 139.A N HIS 137.A ND1 no hydrogen 2.957 N/A ALA 142.A N GLU 193.A OE2 no hydrogen 2.852 N/A ASN 144.A N ALA 141.A O no hydrogen 3.038 N/A ASN 144.A ND2 ASP 139.A O no hydrogen 2.809 N/A ILE 145.A N ALA 142.A O no hydrogen 3.189 N/A LEU 146.A N LYS 154.A O no hydrogen 2.924 N/A VAL 147.A N GLY 97.A O no hydrogen 2.877 N/A GLY 148.A N VAL 152.A O no hydrogen 2.858 N/A VAL 152.A N GLU 149.A O no hydrogen 3.258 N/A CYS 153.A N GLN 122.A OE1 no hydrogen 2.529 N/A CYS 153.A SG LEU 151.A O no hydrogen 3.766 N/A LYS 154.A N LEU 146.A O no hydrogen 2.844 N/A LYS 154.A NZ GLU 92.A OE1 no hydrogen 3.005 N/A LYS 154.A NZ GLU 92.A OE2 no hydrogen 3.105 N/A VAL 155.A N LYS 74.A O no hydrogen 2.799 N/A ALA 156.A N ASN 144.A O no hydrogen 3.039 N/A PHE 158.A N GLU 63.A OE2 no hydrogen 3.035 N/A ALA 161.A N PHE 158.A O no hydrogen 3.038 N/A TRP 167.A N PRO 164.A O no hydrogen 3.163 N/A TRP 167.A NE1 GLU 193.A OE2 no hydrogen 2.732 N/A THR 168.A N PRO 164.A O no hydrogen 3.206 N/A THR 168.A OG1 PRO 164.A O no hydrogen 2.768 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.592 N/A ALA 173.A N ALA 169.A O no hydrogen 2.941 N/A LEU 174.A N PRO 170.A O no hydrogen 2.780 N/A TYR 175.A N GLU 171.A O no hydrogen 2.893 N/A GLY 176.A N ALA 172.A O no hydrogen 2.968 N/A ARG 177.A N GLU 171.A O no hydrogen 3.233 N/A THR 179.A N SER 182.A OG no hydrogen 2.612 N/A LYS 181.A N THR 179.A OG1 no hydrogen 3.084 N/A LYS 181.A NZ ARG 245.A O no hydrogen 2.674 N/A SER 182.A N THR 179.A O no hydrogen 2.952 N/A SER 182.A N THR 179.A OG1 no hydrogen 3.340 N/A SER 182.A OG THR 179.A O no hydrogen 2.662 N/A ASP 183.A N THR 179.A O no hydrogen 3.077 N/A VAL 184.A N ILE 180.A O no hydrogen 2.966 N/A TRP 185.A N LYS 181.A O no hydrogen 3.124 N/A SER 186.A N SER 182.A O no hydrogen 3.347 N/A SER 186.A OG TRP 167.A O no hydrogen 2.744 N/A SER 186.A OG SER 182.A O no hydrogen 3.375 N/A PHE 187.A N ASP 183.A O no hydrogen 3.049 N/A GLY 188.A N VAL 184.A O no hydrogen 3.188 N/A ILE 189.A N TRP 185.A O no hydrogen 3.213 N/A LEU 190.A N SER 186.A O no hydrogen 2.804 N/A LEU 191.A N PHE 187.A O no hydrogen 2.816 N/A THR 192.A N ILE 189.A O no hydrogen 2.929 N/A THR 192.A OG1 ILE 189.A O no hydrogen 2.557 N/A GLU 193.A N ILE 189.A O no hydrogen 3.262 N/A LEU 194.A N LEU 190.A O no hydrogen 2.974 N/A THR 195.A N LEU 191.A O no hydrogen 3.192 N/A THR 195.A OG1 LEU 191.A O no hydrogen 2.975 N/A THR 195.A OG1 THR 192.A O no hydrogen 3.228 N/A THR 196.A N GLU 193.A O no hydrogen 3.369 N/A THR 196.A OG1 THR 192.A O no hydrogen 2.805 N/A THR 196.A OG1 GLU 193.A O no hydrogen 3.425 N/A LYS 197.A NZ LEU 111.A O no hydrogen 3.187 N/A LYS 197.A NZ ASN 271.A O no hydrogen 2.908 N/A GLY 198.A N GLU 193.A O no hydrogen 2.709 N/A ARG 199.A N THR 196.A OG1 no hydrogen 3.146 N/A MET 205.A N TYR 202.A O no hydrogen 3.074 N/A VAL 210.A N VAL 206.A O no hydrogen 3.057 N/A LEU 211.A N ASN 207.A O no hydrogen 3.426 N/A ASP 212.A N ARG 208.A O no hydrogen 3.378 N/A GLN 213.A N GLU 209.A O no hydrogen 2.940 N/A VAL 214.A N VAL 210.A O no hydrogen 2.913 N/A GLU 215.A N LEU 211.A O no hydrogen 3.100 N/A ARG 216.A N ASP 212.A O no hydrogen 2.924 N/A GLY 217.A N VAL 214.A O no hydrogen 3.108 N/A TYR 218.A N GLN 213.A O no hydrogen 2.889 N/A ARG 219.A NE TRP 238.A O no hydrogen 2.784 N/A ARG 219.A NH1 VAL 214.A O no hydrogen 3.000 N/A ARG 219.A NH1 TYR 218.A O no hydrogen 2.727 N/A ARG 219.A NH2 TRP 238.A O no hydrogen 2.848 N/A CYS 222.A SG PRO 223.A O no hydrogen 3.544 N/A CYS 222.A SG CYS 226.A O no hydrogen 2.928 N/A CYS 222.A SG GLU 228.A OE1 no hydrogen 3.700 N/A CYS 226.A N PRO 223.A O no hydrogen 2.950 N/A CYS 226.A SG PRO 227.A O no hydrogen 3.451 N/A SER 229.A OG TYR 258.A OH no hydrogen 2.607 N/A SER 229.A OG GLU 263.A OE2 no hydrogen 2.872 N/A LEU 230.A N PRO 227.A O no hydrogen 2.996 N/A HIS 231.A N PRO 227.A O no hydrogen 3.239 N/A HIS 231.A NE2 MET 220.A O no hydrogen 2.753 N/A ASP 232.A N GLU 228.A O no hydrogen 2.877 N/A LEU 233.A N SER 229.A O no hydrogen 3.325 N/A MET 234.A N LEU 230.A O no hydrogen 3.137 N/A CYS 235.A N HIS 231.A O no hydrogen 2.857 N/A CYS 235.A SG HIS 231.A O no hydrogen 3.568 N/A GLN 236.A N ASP 232.A O no hydrogen 2.975 N/A GLN 236.A NE2 ASP 232.A O no hydrogen 3.545 N/A CYS 237.A N LEU 233.A O no hydrogen 3.030 N/A CYS 237.A SG LEU 233.A O no hydrogen 3.456 N/A TRP 238.A N MET 234.A O no hydrogen 3.040 N/A TRP 238.A N CYS 235.A O no hydrogen 3.265 N/A ARG 239.A N GLN 236.A O no hydrogen 3.454 N/A ARG 239.A NH1 GLU 244.A O no hydrogen 3.128 N/A GLU 243.A N ASP 241.A OD1 no hydrogen 3.329 N/A GLU 244.A N ASP 241.A O no hydrogen 2.794 N/A ARG 245.A N PRO 242.A O no hydrogen 3.317 N/A ARG 245.A NE ARG 239.A O no hydrogen 2.697 N/A ARG 245.A NH1 GLU 171.A OE2 no hydrogen 2.676 N/A ARG 245.A NH1 LYS 181.A O no hydrogen 3.043 N/A ARG 245.A NH2 GLU 171.A OE1 no hydrogen 3.133 N/A ARG 245.A NH2 GLU 171.A OE2 no hydrogen 3.144 N/A ARG 245.A NH2 ARG 239.A O no hydrogen 3.000 N/A PHE 248.A N GLU 131.A OE2 no hydrogen 2.847 N/A GLU 249.A N GLU 131.A OE1 no hydrogen 3.185 N/A TYR 250.A N THR 247.A OG1 no hydrogen 2.935 N/A LEU 251.A N THR 247.A O no hydrogen 2.952 N/A GLN 252.A N PHE 248.A O no hydrogen 2.849 N/A GLN 252.A NE2 GLU 256.A OE2 no hydrogen 2.876 N/A ALA 253.A N GLU 249.A O no hydrogen 3.317 N/A PHE 254.A N TYR 250.A O no hydrogen 2.965 N/A LEU 255.A N LEU 251.A O no hydrogen 2.958 N/A GLU 256.A N GLN 252.A O no hydrogen 3.057 N/A ASP 257.A N ALA 253.A O no hydrogen 3.037 N/A TYR 258.A N LEU 255.A O no hydrogen 3.106 N/A TYR 258.A OH SER 229.A OG no hydrogen 2.607 N/A THR 260.A N ASP 257.A O no hydrogen 3.116 N/A THR 260.A OG1 ASP 257.A O no hydrogen 3.315 N/A SER 261.A N ASP 257.A O no hydrogen 3.032 N/A THR 262.A N TYR 258.A O no hydrogen 2.953 N/A GLU 263.A N TYR 258.A O no hydrogen 2.893 N/A TYR 266.A N GLU 263.A O no hydrogen 3.220 N/A TYR 266.A OH LEU 272.A O no hydrogen 2.656 N/A ASN 271.A N GLU 225.A OE1 no hydrogen 2.799 N/A LEU 272.A N GLU 225.A OE1 no hydrogen 2.765 N/A