Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6npu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N ASP 2.A OD1 no hydrogen 2.966 N/A GLU 5.A N ASP 2.A O no hydrogen 3.142 N/A MET 6.A N VAL 68.A O no hydrogen 2.847 N/A ARG 8.A NH1 PRO 74.A O no hydrogen 2.767 N/A ARG 8.A NH2 PRO 74.A O no hydrogen 3.127 N/A ASP 10.A N GLU 7.A O no hydrogen 2.879 N/A ILE 11.A N ARG 8.A O no hydrogen 3.091 N/A THR 12.A N VAL 29.A O no hydrogen 2.902 N/A LYS 14.A N GLU 27.A O no hydrogen 2.835 N/A LYS 14.A NZ GLU 27.A OE1 no hydrogen 2.902 N/A HIS 15.A ND1 LYS 16.A O no hydrogen 2.766 N/A LYS 16.A NZ GLU 24.A OE2 no hydrogen 3.427 N/A LEU 17.A N VAL 25.A O no hydrogen 2.800 N/A GLY 19.A N LYS 16.A O no hydrogen 3.091 N/A GLN 21.A N GLY 18.A O no hydrogen 3.125 N/A GLY 23.A N GLY 20.A O no hydrogen 2.800 N/A VAL 25.A N GLY 23.A O no hydrogen 2.792 N/A TYR 26.A N VAL 39.A O no hydrogen 2.648 N/A TYR 26.A OH GLU 24.A OE1 no hydrogen 2.948 N/A GLU 27.A N HIS 15.A O no hydrogen 2.785 N/A GLY 28.A N VAL 37.A O no hydrogen 2.853 N/A VAL 29.A N THR 12.A O no hydrogen 2.909 N/A TRP 30.A N LEU 35.A O no hydrogen 2.738 N/A LYS 31.A N ASP 10.A O no hydrogen 3.231 N/A LYS 31.A NZ THR 9.A O no hydrogen 2.946 N/A LYS 32.A NZ ASP 10.A OD2 no hydrogen 3.417 N/A TYR 33.A N TRP 30.A O no hydrogen 3.188 N/A SER 34.A N LYS 31.A O no hydrogen 3.030 N/A LEU 35.A N TRP 30.A O no hydrogen 3.378 N/A VAL 37.A N GLY 28.A O no hydrogen 2.802 N/A ALA 38.A N THR 79.A O no hydrogen 2.982 N/A VAL 39.A N TYR 26.A O no hydrogen 2.792 N/A LYS 40.A N ILE 77.A O no hydrogen 2.789 N/A LYS 40.A NZ GLU 50.A OE1 no hydrogen 2.643 N/A THR 41.A N GLU 24.A O no hydrogen 2.930 N/A LEU 42.A N PHE 75.A O no hydrogen 3.293 N/A LEU 48.A N VAL 44.A O no hydrogen 3.195 N/A LYS 49.A N GLU 45.A O no hydrogen 2.846 N/A LYS 49.A NZ LYS 49.A O no hydrogen 3.563 N/A GLU 50.A N GLU 46.A O no hydrogen 3.073 N/A ALA 51.A N PHE 47.A O no hydrogen 3.307 N/A ALA 52.A N LEU 48.A O no hydrogen 2.996 N/A VAL 53.A N LYS 49.A O no hydrogen 2.979 N/A MET 54.A N GLU 50.A O no hydrogen 2.984 N/A LYS 55.A N ALA 51.A O no hydrogen 3.060 N/A LYS 55.A N ALA 52.A O no hydrogen 3.263 N/A LYS 55.A NZ ASP 2.A OD2 no hydrogen 2.683 N/A GLU 56.A N VAL 53.A O no hydrogen 3.025 N/A ILE 57.A N MET 54.A O no hydrogen 3.212 N/A LYS 58.A N TYR 117.A OH no hydrogen 3.027 N/A ASN 61.A N HIS 59.A ND1 no hydrogen 2.999 N/A ASN 61.A ND2 GLN 110.A OE1 no hydrogen 3.011 N/A ASN 61.A ND2 VAL 141.A O no hydrogen 2.907 N/A LEU 62.A N HIS 59.A O no hydrogen 3.135 N/A VAL 63.A N VAL 143.A O no hydrogen 3.035 N/A GLN 64.A N GLU 80.A OE1 no hydrogen 2.696 N/A GLN 64.A NE2 LEU 65.A O no hydrogen 2.782 N/A LEU 66.A N ILE 78.A O no hydrogen 2.710 N/A GLY 67.A N ILE 78.A O no hydrogen 3.351 N/A VAL 68.A N TRP 4.A O no hydrogen 3.020 N/A CYS 69.A N TYR 76.A O no hydrogen 3.047 N/A CYS 69.A SG MET 6.A O no hydrogen 3.385 N/A THR 70.A N GLU 5.A OE2 no hydrogen 2.519 N/A THR 70.A OG1 GLU 5.A OE1 no hydrogen 2.602 N/A THR 70.A OG1 GLU 5.A OE2 no hydrogen 3.201 N/A TYR 76.A N CYS 69.A O no hydrogen 2.975 N/A ILE 77.A N LYS 40.A O no hydrogen 2.840 N/A ILE 78.A N GLY 67.A O no hydrogen 2.813 N/A THR 79.A N ALA 38.A O no hydrogen 2.928 N/A THR 79.A OG1 GLU 80.A O no hydrogen 2.960 N/A GLU 80.A N GLN 64.A O no hydrogen 3.324 N/A TYR 84.A N VAL 135.A O no hydrogen 2.906 N/A TYR 84.A OH GLU 137.A OE2 no hydrogen 2.719 N/A GLY 85.A N MET 82.A O no hydrogen 3.151 N/A ASN 86.A ND2 ASP 89.A OD2 no hydrogen 2.606 N/A LEU 87.A N CYS 133.A O no hydrogen 2.853 N/A ASP 89.A N ASN 86.A OD1 no hydrogen 2.905 N/A TYR 90.A N ASN 86.A O no hydrogen 3.067 N/A LEU 91.A N LEU 87.A O no hydrogen 2.750 N/A ARG 92.A N LEU 88.A O no hydrogen 3.000 N/A ARG 92.A NE GLY 200.A O no hydrogen 2.666 N/A ARG 92.A NH2 GLY 200.A O no hydrogen 2.925 N/A GLU 93.A N ASP 89.A O no hydrogen 2.946 N/A GLU 93.A N TYR 90.A O no hydrogen 3.215 N/A CYS 94.A N LEU 91.A O no hydrogen 3.478 N/A CYS 94.A SG LEU 91.A O no hydrogen 3.522 N/A GLN 97.A N ASN 95.A OD1 no hydrogen 3.096 N/A VAL 99.A N ASN 95.A O no hydrogen 2.796 N/A VAL 103.A N ASN 100.A OD1 no hydrogen 3.466 N/A LEU 104.A N ASN 100.A O no hydrogen 2.930 N/A LEU 105.A N ALA 101.A O no hydrogen 2.946 N/A TYR 106.A N VAL 102.A O no hydrogen 2.934 N/A MET 107.A N VAL 103.A O no hydrogen 2.748 N/A ALA 108.A N LEU 104.A O no hydrogen 2.948 N/A THR 109.A N LEU 105.A O no hydrogen 2.897 N/A THR 109.A OG1 LEU 105.A O no hydrogen 2.844 N/A GLN 110.A N TYR 106.A O no hydrogen 2.997 N/A GLN 110.A NE2 TYR 106.A O no hydrogen 3.432 N/A GLN 110.A NE2 HIS 139.A O no hydrogen 2.766 N/A ILE 111.A N MET 107.A O no hydrogen 2.974 N/A SER 112.A N ALA 108.A O no hydrogen 2.908 N/A SER 112.A OG THR 109.A O no hydrogen 2.846 N/A SER 113.A N THR 109.A O no hydrogen 2.929 N/A ALA 114.A N GLN 110.A O no hydrogen 3.087 N/A MET 115.A N ILE 111.A O no hydrogen 3.068 N/A GLU 116.A N SER 112.A O no hydrogen 2.841 N/A TYR 117.A N SER 113.A O no hydrogen 3.148 N/A TYR 117.A OH GLU 56.A O no hydrogen 3.285 N/A LEU 118.A N ALA 114.A O no hydrogen 3.001 N/A GLU 119.A N MET 115.A O no hydrogen 2.788 N/A LYS 120.A N GLU 116.A O no hydrogen 2.784 N/A LYS 121.A N TYR 117.A O no hydrogen 2.940 N/A LYS 121.A NZ GLU 56.A O no hydrogen 2.767 N/A LYS 121.A NZ TYR 117.A OH no hydrogen 3.232 N/A ASN 122.A N GLU 119.A O no hydrogen 3.008 N/A PHE 123.A N LEU 118.A O no hydrogen 2.826 N/A HIS 125.A N ASP 185.A OD2 no hydrogen 2.545 N/A HIS 125.A NE2 ALA 144.A O no hydrogen 2.756 N/A ARG 126.A N ASP 185.A OD1 no hydrogen 2.905 N/A ASP 127.A N HIS 125.A ND1 no hydrogen 3.009 N/A ALA 130.A N GLU 195.A OE2 no hydrogen 2.881 N/A ARG 131.A NE TYR 157.A OH no hydrogen 2.887 N/A ARG 131.A NH2 ASP 127.A OD1 no hydrogen 3.032 N/A ARG 131.A NH2 TYR 157.A OH no hydrogen 3.291 N/A ASN 132.A N ALA 129.A O no hydrogen 2.957 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.793 N/A CYS 133.A N ALA 130.A O no hydrogen 2.951 N/A CYS 133.A SG ALA 129.A O no hydrogen 3.653 N/A LEU 134.A N LYS 142.A O no hydrogen 2.812 N/A VAL 135.A N GLY 85.A O no hydrogen 2.829 N/A GLY 136.A N LEU 140.A O no hydrogen 2.799 N/A ASN 138.A N GLU 137.A OE1 no hydrogen 2.764 N/A LEU 140.A N GLU 137.A O no hydrogen 3.366 N/A VAL 141.A N GLN 110.A OE1 no hydrogen 3.003 N/A LYS 142.A N LEU 134.A O no hydrogen 2.951 N/A LYS 142.A NZ PRO 60.A O no hydrogen 2.865 N/A LYS 142.A NZ LEU 62.A O no hydrogen 2.899 N/A LYS 142.A NZ GLU 80.A OE1 no hydrogen 2.890 N/A LYS 142.A NZ GLU 80.A OE2 no hydrogen 3.418 N/A VAL 143.A N ASN 61.A O no hydrogen 2.693 N/A ALA 144.A N ASN 132.A O no hydrogen 2.851 N/A PHE 146.A N ASN 132.A OD1 no hydrogen 2.995 N/A GLY 147.A N ASP 145.A OD1 no hydrogen 3.367 N/A LEU 151.A N LEU 148.A O no hydrogen 3.020 N/A MET 152.A N LEU 148.A O no hydrogen 2.848 N/A TYR 157.A OH ASP 127.A OD1 no hydrogen 3.354 N/A TYR 157.A OH ASP 127.A OD2 no hydrogen 2.498 N/A THR 158.A N PHE 165.A O no hydrogen 2.902 N/A HIS 160.A N ALA 163.A O no hydrogen 3.066 N/A HIS 160.A NE2 LEU 175.A O no hydrogen 2.616 N/A PHE 165.A N THR 158.A O no hydrogen 2.831 N/A LYS 168.A NZ PRO 203.A O no hydrogen 3.248 N/A LYS 168.A NZ TYR 204.A O no hydrogen 2.763 N/A LYS 168.A NZ ILE 207.A O no hydrogen 2.736 N/A TRP 169.A N PRO 166.A O no hydrogen 2.962 N/A TRP 169.A NE1 GLU 195.A OE2 no hydrogen 3.023 N/A THR 170.A N ILE 167.A O no hydrogen 3.044 N/A THR 170.A OG1 PRO 166.A O no hydrogen 2.652 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.850 N/A SER 174.A N ALA 171.A O no hydrogen 3.077 N/A SER 174.A OG LYS 179.A O no hydrogen 2.807 N/A LEU 175.A N ALA 171.A O no hydrogen 2.988 N/A ALA 176.A N PRO 172.A O no hydrogen 2.834 N/A TYR 177.A N GLU 173.A O no hydrogen 3.054 N/A LYS 179.A N GLU 173.A O no hydrogen 3.329 N/A SER 181.A N SER 184.A OG no hydrogen 2.794 N/A LYS 183.A N SER 181.A OG no hydrogen 2.845 N/A LYS 183.A NZ ARG 247.A O no hydrogen 2.774 N/A SER 184.A OG SER 181.A O no hydrogen 2.744 N/A ASP 185.A N SER 181.A O no hydrogen 3.098 N/A VAL 186.A N ILE 182.A O no hydrogen 2.960 N/A TRP 187.A N LYS 183.A O no hydrogen 3.097 N/A ALA 188.A N SER 184.A O no hydrogen 3.171 N/A PHE 189.A N ASP 185.A O no hydrogen 2.906 N/A GLY 190.A N VAL 186.A O no hydrogen 3.244 N/A VAL 191.A N TRP 187.A O no hydrogen 3.345 N/A LEU 192.A N ALA 188.A O no hydrogen 2.810 N/A LEU 193.A N PHE 189.A O no hydrogen 2.691 N/A TRP 194.A N GLY 190.A O no hydrogen 3.158 N/A GLU 195.A N VAL 191.A O no hydrogen 2.847 N/A ILE 196.A N LEU 192.A O no hydrogen 2.894 N/A ALA 197.A N LEU 193.A O no hydrogen 2.991 N/A THR 198.A N TRP 194.A O no hydrogen 3.043 N/A THR 198.A OG1 TRP 194.A O no hydrogen 3.017 N/A THR 198.A OG1 GLU 195.A O no hydrogen 3.428 N/A TYR 199.A N ILE 196.A O no hydrogen 2.995 N/A TYR 199.A OH VAL 99.A O no hydrogen 2.516 N/A GLY 200.A N GLU 195.A O no hydrogen 2.772 N/A MET 201.A N THR 198.A OG1 no hydrogen 3.052 N/A ILE 207.A N TYR 204.A O no hydrogen 3.121 N/A GLN 211.A N ASP 208.A O no hydrogen 2.795 N/A GLN 211.A NE2 SER 210.A OG no hydrogen 3.002 N/A VAL 212.A N LEU 209.A O no hydrogen 3.130 N/A LEU 215.A N GLN 211.A O no hydrogen 3.033 N/A LEU 216.A N VAL 212.A O no hydrogen 2.987 N/A GLU 217.A N TYR 213.A O no hydrogen 2.966 N/A LYS 218.A N GLU 214.A O no hydrogen 2.974 N/A ASP 219.A N LEU 216.A O no hydrogen 2.936 N/A TYR 220.A N LEU 215.A O no hydrogen 2.839 N/A ARG 221.A NE TRP 240.A O no hydrogen 2.852 N/A ARG 221.A NH1 LEU 216.A O no hydrogen 2.939 N/A ARG 221.A NH1 TYR 220.A O no hydrogen 2.630 N/A ARG 221.A NH2 TRP 240.A O no hydrogen 3.012 N/A ARG 224.A NH1 CYS 228.A O no hydrogen 2.846 N/A CYS 228.A N PRO 225.A O no hydrogen 2.919 N/A CYS 228.A SG PRO 229.A O no hydrogen 3.557 N/A TYR 233.A N PRO 229.A O no hydrogen 2.921 N/A TYR 233.A OH MET 222.A O no hydrogen 2.598 N/A GLU 234.A N GLU 230.A O no hydrogen 2.778 N/A LEU 235.A N LYS 231.A O no hydrogen 3.178 N/A MET 236.A N VAL 232.A O no hydrogen 3.091 N/A ARG 237.A N TYR 233.A O no hydrogen 3.087 N/A ARG 237.A NH1 TYR 233.A OH no hydrogen 2.990 N/A ALA 238.A N GLU 234.A O no hydrogen 3.021 N/A CYS 239.A N LEU 235.A O no hydrogen 2.922 N/A CYS 239.A SG LEU 235.A O no hydrogen 3.170 N/A TRP 240.A N MET 236.A O no hydrogen 3.107 N/A TRP 240.A N ARG 237.A O no hydrogen 2.912 N/A GLN 241.A N ALA 238.A O no hydrogen 3.360 N/A SER 245.A N ASN 243.A OD1 no hydrogen 3.144 N/A SER 245.A OG ASN 243.A OD1 no hydrogen 2.963 N/A ASP 246.A N ASN 243.A O no hydrogen 2.938 N/A ARG 247.A N PRO 244.A O no hydrogen 3.178 N/A ARG 247.A NE GLN 241.A O no hydrogen 2.811 N/A ARG 247.A NH1 GLU 173.A OE1 no hydrogen 3.367 N/A ARG 247.A NH1 GLU 173.A OE2 no hydrogen 2.745 N/A ARG 247.A NH1 LYS 183.A O no hydrogen 2.898 N/A ARG 247.A NH2 GLU 173.A OE1 no hydrogen 2.770 N/A ARG 247.A NH2 GLN 241.A O no hydrogen 3.230 N/A ARG 247.A NH2 TRP 242.A O no hydrogen 3.196 N/A SER 249.A N GLU 252.A OE2 no hydrogen 2.825 N/A PHE 250.A N GLU 119.A OE2 no hydrogen 2.798 N/A ALA 251.A N GLU 119.A OE1 no hydrogen 2.991 N/A GLU 252.A N SER 249.A OG no hydrogen 3.008 N/A ILE 253.A N SER 249.A O no hydrogen 2.953 N/A HIS 254.A N PHE 250.A O no hydrogen 2.942 N/A GLN 255.A N ALA 251.A O no hydrogen 3.072 N/A ALA 256.A N GLU 252.A O no hydrogen 2.941 N/A PHE 257.A N ILE 253.A O no hydrogen 2.940 N/A GLU 258.A N HIS 254.A O no hydrogen 2.721 N/A THR 259.A N GLN 255.A O no hydrogen 2.971 N/A THR 259.A OG1 GLN 255.A O no hydrogen 3.133 N/A MET 260.A N ALA 256.A O no hydrogen 2.972 N/A PHE 261.A N PHE 257.A O no hydrogen 2.674 N/A GLN 262.A N GLU 258.A O no hydrogen 3.188 N/A GLU 263.A N THR 259.A O no hydrogen 3.199 N/A SER 264.A OG MET 260.A O no hydrogen 3.034 N/A