Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1fr8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A N ILE 46.A O no hydrogen 2.869 N/A SER 7.A OG ARG 77.A O no hydrogen 2.520 N/A LEU 10.A N SER 7.A O no hydrogen 3.321 N/A VAL 11.A N ASP 129.A OD1 no hydrogen 2.678 N/A GLY 12.A N ASP 129.A OD2 no hydrogen 2.648 N/A MET 14.A N MET 127.A O no hydrogen 2.862 N/A GLU 17.A N TYR 70.A OH no hydrogen 2.665 N/A LYS 25.A N ASP 23.A OD1 no hydrogen 2.667 N/A LEU 26.A N ASP 23.A O no hydrogen 2.952 N/A VAL 27.A N ASP 23.A O no hydrogen 3.198 N/A GLU 28.A N LEU 24.A O no hydrogen 2.809 N/A GLN 29.A N LYS 25.A O no hydrogen 3.005 N/A GLN 30.A N LEU 26.A O no hydrogen 2.590 N/A ASN 31.A N VAL 27.A O no hydrogen 2.847 N/A ASN 31.A N GLU 28.A O no hydrogen 3.075 N/A ASN 31.A ND2 VAL 27.A O no hydrogen 2.918 N/A VAL 34.A N ASN 31.A O no hydrogen 3.450 N/A GLY 37.A N TYR 257.A O no hydrogen 2.602 N/A GLY 38.A N LYS 35.A O no hydrogen 3.314 N/A GLY 38.A N PRO 258.A O no hydrogen 3.243 N/A ARG 39.A N LYS 35.A O no hydrogen 3.377 N/A ARG 39.A NH1 ASP 81.A OD1 no hydrogen 2.830 N/A ARG 39.A NH1 TYR 82.A O no hydrogen 2.604 N/A ARG 39.A NH2 ASP 81.A OD1 no hydrogen 2.930 N/A TYR 40.A N TYR 82.A O no hydrogen 2.957 N/A THR 41.A OG1 ASP 81.A OD1 no hydrogen 3.113 N/A CYS 45.A SG GLN 79.A OE1 no hydrogen 3.887 N/A SER 47.A OG GLN 79.A O no hydrogen 2.834 N/A LYS 50.A N ASN 115.A OD1 no hydrogen 3.200 N/A LYS 50.A NZ ASP 113.A OD1 no hydrogen 3.472 N/A LYS 50.A NZ ASP 113.A OD2 no hydrogen 2.734 N/A VAL 51.A N ASP 81.A O no hydrogen 2.987 N/A ALA 52.A N CYS 116.A O no hydrogen 3.054 N/A ILE 53.A N GLY 83.A O no hydrogen 2.988 N/A ILE 54.A N VAL 118.A O no hydrogen 2.731 N/A ILE 55.A N TYR 85.A O no hydrogen 2.930 N/A PHE 57.A N ILE 87.A O no hydrogen 2.758 N/A ARG 58.A NE GLN 89.A O no hydrogen 3.501 N/A ARG 58.A NH2 SER 93.A O no hydrogen 2.472 N/A ARG 60.A NH1 ASN 59.A O no hydrogen 2.880 N/A LEU 64.A N ARG 60.A O no hydrogen 3.036 N/A LYS 65.A N GLN 61.A O no hydrogen 3.136 N/A TYR 66.A N GLU 62.A O no hydrogen 3.358 N/A TRP 67.A N HIS 63.A O no hydrogen 2.872 N/A LEU 68.A N LEU 64.A O no hydrogen 2.835 N/A TYR 69.A N LYS 65.A O no hydrogen 3.030 N/A TYR 70.A N TYR 66.A O no hydrogen 3.026 N/A TYR 70.A OH GLU 17.A O no hydrogen 2.655 N/A LEU 71.A N TRP 67.A O no hydrogen 2.903 N/A HIS 72.A N LEU 68.A O no hydrogen 3.244 N/A HIS 72.A ND1 TYR 82.A OH no hydrogen 2.910 N/A HIS 72.A NE2 LEU 259.A O no hydrogen 2.716 N/A ILE 74.A N TYR 70.A O no hydrogen 3.488 N/A LEU 75.A N LEU 71.A O no hydrogen 2.811 N/A GLN 76.A N HIS 72.A O no hydrogen 3.235 N/A GLN 76.A NE2 ASN 31.A OD1 no hydrogen 2.906 N/A GLN 76.A NE2 HIS 72.A O no hydrogen 2.935 N/A ARG 77.A N PRO 73.A O no hydrogen 3.010 N/A ARG 77.A NE ASP 129.A OD1 no hydrogen 3.063 N/A ARG 77.A NH2 ASP 129.A OD1 no hydrogen 3.454 N/A GLN 78.A N ILE 74.A O no hydrogen 2.934 N/A GLN 78.A NE2 ASP 129.A O no hydrogen 2.952 N/A GLN 78.A NE2 ASN 131.A O no hydrogen 3.383 N/A GLN 79.A N GLN 76.A O no hydrogen 2.938 N/A LEU 80.A N LEU 75.A O no hydrogen 3.298 N/A ASP 81.A N HIS 49.A O no hydrogen 3.255 N/A TYR 82.A N TYR 40.A O no hydrogen 2.850 N/A TYR 82.A OH HIS 72.A ND1 no hydrogen 2.910 N/A TYR 82.A OH HIS 72.A O no hydrogen 3.227 N/A GLY 83.A N VAL 51.A O no hydrogen 3.122 N/A TYR 85.A N ILE 53.A O no hydrogen 2.947 N/A TYR 85.A OH ASP 111.A OD2 no hydrogen 3.207 N/A TYR 85.A OH TYR 114.A OH no hydrogen 2.571 N/A VAL 86.A N THR 261.A O no hydrogen 2.745 N/A ILE 87.A N ILE 55.A O no hydrogen 2.937 N/A ASN 88.A N ILE 263.A O no hydrogen 2.924 N/A ASN 88.A ND2 THR 264.A OG1 no hydrogen 3.058 N/A GLN 89.A N PHE 57.A O no hydrogen 2.963 N/A GLN 89.A NE2 MET 94.A O no hydrogen 2.654 N/A ALA 90.A N VAL 265.A O no hydrogen 2.979 N/A ASN 96.A N GLN 89.A OE1 no hydrogen 3.015 N/A ASN 96.A ND2 ASN 178.A O no hydrogen 3.007 N/A ARG 97.A NE ASP 121.A OD1 no hydrogen 3.212 N/A ARG 97.A NH1 GLU 186.A OE1 no hydrogen 3.135 N/A LYS 99.A N ASN 96.A OD1 no hydrogen 2.983 N/A LYS 99.A NZ THR 248.A O no hydrogen 3.081 N/A LYS 99.A NZ ILE 267.A O no hydrogen 2.781 N/A LEU 100.A N ASN 96.A O no hydrogen 3.201 N/A LEU 101.A N ARG 97.A O no hydrogen 2.982 N/A ASN 102.A N ALA 98.A O no hydrogen 3.019 N/A ASN 102.A ND2 PHE 176.A O no hydrogen 2.600 N/A ASN 102.A ND2 ASN 178.A OD1 no hydrogen 2.765 N/A VAL 103.A N LYS 99.A O no hydrogen 2.902 N/A GLY 104.A N LEU 100.A O no hydrogen 2.949 N/A PHE 105.A N LEU 101.A O no hydrogen 3.087 N/A LYS 106.A N ASN 102.A O no hydrogen 3.076 N/A GLU 107.A N VAL 103.A O no hydrogen 2.794 N/A ALA 108.A N GLY 104.A O no hydrogen 2.794 N/A LEU 109.A N PHE 105.A O no hydrogen 3.364 N/A LYS 110.A N GLU 107.A O no hydrogen 3.016 N/A LYS 110.A NZ GLU 107.A OE2 no hydrogen 3.421 N/A ASP 111.A N ALA 108.A O no hydrogen 2.749 N/A TYR 112.A N ALA 108.A O no hydrogen 3.288 N/A TYR 112.A OH ASP 81.A OD2 no hydrogen 2.517 N/A ASP 113.A N ASP 113.A OD1 no hydrogen 2.585 N/A TYR 114.A N TYR 112.A O no hydrogen 2.754 N/A TYR 114.A OH TYR 85.A OH no hydrogen 2.571 N/A ASN 115.A N LYS 50.A O no hydrogen 2.991 N/A ASN 115.A ND2 PRO 48.A O no hydrogen 3.188 N/A CYS 116.A N LYS 50.A O no hydrogen 3.100 N/A PHE 117.A N LEU 165.A O no hydrogen 2.820 N/A VAL 118.A N ALA 52.A O no hydrogen 2.993 N/A PHE 119.A N SER 163.A O no hydrogen 2.713 N/A SER 120.A N ILE 54.A O no hydrogen 2.974 N/A SER 120.A OG ASP 121.A O no hydrogen 2.716 N/A ASP 121.A N GLY 161.A O no hydrogen 3.121 N/A ILE 125.A N ARG 212.A O no hydrogen 2.927 N/A MET 127.A N LYS 210.A O no hydrogen 2.819 N/A ASN 128.A ND2 HIS 130.A ND1 no hydrogen 3.482 N/A ASP 129.A N GLY 12.A O no hydrogen 3.390 N/A ASN 131.A N ASN 128.A O no hydrogen 2.966 N/A ASN 131.A ND2 ILE 142.A O no hydrogen 3.305 N/A THR 132.A OG1 HIS 130.A O no hydrogen 3.339 N/A TYR 133.A N GLN 78.A OE1 no hydrogen 2.828 N/A ARG 134.A NE CYS 135.A O no hydrogen 3.061 N/A ARG 134.A NH2 CYS 135.A O no hydrogen 3.412 N/A ARG 140.A N ALA 164.A O no hydrogen 2.872 N/A HIS 141.A N SER 202.A O no hydrogen 2.947 N/A HIS 141.A NE2 GLY 160.A O no hydrogen 3.014 N/A ILE 142.A N VAL 162.A O no hydrogen 2.897 N/A SER 143.A N VAL 162.A O no hydrogen 3.287 N/A VAL 144.A N ILE 142.A O no hydrogen 2.570 N/A ALA 145.A N GLY 209.A O no hydrogen 2.856 N/A ASP 147.A N CYS 211.A O no hydrogen 2.758 N/A LYS 148.A NZ GLU 223.A OE2 no hydrogen 3.445 N/A PHE 149.A N MET 146.A O no hydrogen 2.640 N/A GLY 150.A N ASP 147.A O no hydrogen 3.178 N/A PHE 151.A N MET 146.A O no hydrogen 2.965 N/A SER 152.A N PHE 149.A O no hydrogen 2.803 N/A SER 152.A OG PHE 149.A O no hydrogen 2.818 N/A TYR 155.A OH ASP 188.A OD1 no hydrogen 2.560 N/A GLN 157.A NE2 TYR 191.A OH no hydrogen 3.339 N/A TYR 158.A N TYR 155.A O no hydrogen 3.021 N/A VAL 162.A N SER 143.A OG no hydrogen 2.779 N/A SER 163.A N PHE 119.A O no hydrogen 2.940 N/A ALA 164.A N ARG 140.A O no hydrogen 2.859 N/A LEU 165.A N PHE 117.A O no hydrogen 2.769 N/A SER 166.A N GLN 169.A OE1 no hydrogen 3.225 N/A LYS 167.A N ASN 115.A O no hydrogen 2.995 N/A GLN 169.A N SER 166.A OG no hydrogen 2.998 N/A GLN 169.A NE2 PHE 136.A O no hydrogen 3.344 N/A PHE 170.A N SER 166.A O no hydrogen 2.825 N/A LEU 171.A N LYS 167.A O no hydrogen 2.834 N/A SER 172.A N GLN 168.A O no hydrogen 2.857 N/A ILE 173.A N PHE 170.A O no hydrogen 3.207 N/A ASN 174.A N LEU 171.A O no hydrogen 2.717 N/A GLY 175.A N PHE 170.A O no hydrogen 3.024 N/A PHE 176.A N ASN 102.A OD1 no hydrogen 2.859 N/A ASN 178.A N ASP 242.A OD1 no hydrogen 2.987 N/A ASN 178.A N ASP 242.A OD2 no hydrogen 3.024 N/A ASN 178.A ND2 ASP 242.A OD1 no hydrogen 3.366 N/A ASN 178.A ND2 GLY 243.A O no hydrogen 3.011 N/A ASN 179.A N ASP 242.A OD2 no hydrogen 3.005 N/A TYR 180.A OH ASP 189.A OD1 no hydrogen 2.785 N/A GLU 186.A N GLU 186.A OE2 no hydrogen 2.929 N/A ASP 189.A N GLY 185.A O no hydrogen 2.803 N/A ILE 190.A N GLU 186.A O no hydrogen 2.800 N/A TYR 191.A N ASP 187.A O no hydrogen 3.136 N/A ASN 192.A N ASP 188.A O no hydrogen 2.984 N/A ASN 192.A ND2 THR 235.A OG1 no hydrogen 3.269 N/A ARG 193.A N ASP 189.A O no hydrogen 2.844 N/A ARG 193.A NE ASP 189.A OD2 no hydrogen 2.995 N/A ARG 193.A NH1 ILE 173.A O no hydrogen 3.153 N/A ARG 193.A NH1 GLY 175.A O no hydrogen 3.336 N/A ARG 193.A NH1 ASP 242.A O no hydrogen 2.926 N/A ARG 193.A NH2 ASP 242.A O no hydrogen 2.453 N/A LEU 194.A N ILE 190.A O no hydrogen 3.145 N/A ALA 195.A N TYR 191.A O no hydrogen 3.145 N/A PHE 196.A N ASN 192.A O no hydrogen 2.973 N/A ARG 197.A N ARG 193.A O no hydrogen 3.027 N/A GLY 198.A N ALA 195.A O no hydrogen 2.875 N/A MET 199.A N LEU 194.A O no hydrogen 2.725 N/A SER 200.A N GLN 138.A OE1 no hydrogen 2.912 N/A SER 202.A N PRO 139.A O no hydrogen 2.693 N/A ARG 203.A NE HIS 141.A ND1 no hydrogen 2.962 N/A ARG 203.A NH1 VAL 156.A O no hydrogen 3.395 N/A ARG 203.A NH2 HIS 141.A ND1 no hydrogen 3.546 N/A ARG 203.A NH2 VAL 156.A O no hydrogen 2.904 N/A ARG 203.A NH2 TYR 158.A O no hydrogen 2.964 N/A GLY 209.A N ASN 205.A O no hydrogen 2.901 N/A CYS 211.A N ALA 145.A O no hydrogen 2.606 N/A CYS 211.A SG GLY 209.A O no hydrogen 3.915 N/A ARG 212.A N ILE 125.A O no hydrogen 2.772 N/A MET 213.A N ASP 147.A OD2 no hydrogen 2.862 N/A ILE 214.A N ASP 123.A O no hydrogen 2.954 N/A ARG 215.A NH1 LYS 221.A O no hydrogen 3.025 N/A ARG 218.A NH2 ARG 215.A O no hydrogen 3.039 N/A PHE 229.A N ASP 188.A OD2 no hydrogen 2.826 N/A THR 235.A N ARG 231.A O no hydrogen 2.903 N/A THR 235.A OG1 ASP 189.A OD1 no hydrogen 2.823 N/A THR 235.A OG1 ARG 231.A O no hydrogen 3.151 N/A LYS 236.A N ILE 232.A O no hydrogen 3.185 N/A GLU 237.A N ALA 233.A O no hydrogen 2.918 N/A THR 238.A N HIS 234.A O no hydrogen 2.800 N/A THR 238.A OG1 HIS 234.A ND1 no hydrogen 3.369 N/A THR 238.A OG1 HIS 234.A O no hydrogen 2.561 N/A MET 239.A N THR 235.A O no hydrogen 2.698 N/A SER 241.A N THR 238.A O no hydrogen 2.870 N/A SER 241.A OG THR 238.A O no hydrogen 3.145 N/A ASP 242.A N THR 238.A O no hydrogen 2.939 N/A GLY 243.A N SER 246.A OG no hydrogen 2.778 N/A LEU 244.A N ASN 174.A O no hydrogen 2.979 N/A ASN 245.A ND2 LEU 240.A O no hydrogen 2.802 N/A SER 246.A N GLY 243.A O no hydrogen 2.895 N/A SER 246.A OG SER 241.A O no hydrogen 3.209 N/A SER 246.A OG ASP 242.A OD1 no hydrogen 3.528 N/A SER 246.A OG GLY 243.A O no hydrogen 3.147 N/A LEU 247.A N LEU 244.A O no hydrogen 3.144 N/A TYR 249.A OH GLU 107.A OE2 no hydrogen 2.331 N/A MET 250.A N ASP 266.A O no hydrogen 3.039 N/A LEU 252.A N THR 264.A O no hydrogen 2.930 N/A GLU 253.A N THR 264.A O no hydrogen 3.230 N/A GLN 255.A N LYS 262.A O no hydrogen 2.832 N/A ARG 256.A NH1 ASP 111.A OD2 no hydrogen 3.260 N/A ARG 256.A NH1 THR 261.A OG1 no hydrogen 3.050 N/A ARG 256.A NH2 ASP 111.A OD1 no hydrogen 2.786 N/A ARG 256.A NH2 ASP 111.A OD2 no hydrogen 3.302 N/A THR 261.A N ILE 84.A O no hydrogen 2.918 N/A THR 261.A OG1 GLY 37.A O no hydrogen 3.103 N/A LYS 262.A N GLN 255.A O no hydrogen 2.804 N/A ILE 263.A N VAL 86.A O no hydrogen 3.004 N/A THR 264.A N GLU 253.A O no hydrogen 2.921 N/A VAL 265.A N ASN 88.A O no hydrogen 3.041 N/A ASP 266.A N MET 250.A O no hydrogen 2.815 N/A GLY 268.A N ASP 266.A OD2 no hydrogen 2.963 N/A SER 271.A OG SER 271.A OXT no hydrogen 2.547 N/A