Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pbw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 ASP 80.A OD2 no hydrogen 3.500 N/A ARG 1.A NH2 ASP 80.A OD1 no hydrogen 2.994 N/A ARG 1.A NH2 ASP 80.A OD2 no hydrogen 3.429 N/A LEU 3.A N LEU 47.A O no hydrogen 2.846 N/A ILE 4.A N ASP 80.A OD2 no hydrogen 2.844 N/A VAL 5.A N ASP 49.A O no hydrogen 2.952 N/A THR 6.A N LEU 81.A O no hydrogen 2.896 N/A THR 7.A N LYS 51.A O no hydrogen 3.132 N/A THR 7.A OG1 ILE 8.A O no hydrogen 3.524 N/A THR 7.A OG1 VAL 83.A O no hydrogen 2.804 N/A ILE 8.A N THR 7.A OG1 no hydrogen 2.732 N/A GLU 10.A N VAL 14.A O no hydrogen 2.930 N/A TYR 13.A OH THR 189.A OG1 no hydrogen 3.340 N/A VAL 14.A N GLU 10.A O no hydrogen 2.974 N/A MET 15.A N GLU 30.A O no hydrogen 2.833 N/A ARG 17.A N ARG 28.A O no hydrogen 2.849 N/A ARG 17.A NH1 ASP 27.A O no hydrogen 3.085 N/A ASN 26.A ND2 TYR 48.A O no hydrogen 2.906 N/A ARG 28.A N GLY 25.A O no hydrogen 3.051 N/A ARG 28.A NE GLY 25.A O no hydrogen 2.702 N/A PHE 29.A N ASN 26.A O no hydrogen 3.176 N/A GLU 30.A N MET 15.A O no hydrogen 2.826 N/A TYR 32.A N PRO 12.A O no hydrogen 3.006 N/A CYS 33.A N TYR 13.A O no hydrogen 2.961 N/A ASP 35.A N GLY 31.A O no hydrogen 3.017 N/A LEU 36.A N TYR 32.A O no hydrogen 2.786 N/A LEU 37.A N CYS 33.A O no hydrogen 2.809 N/A LYS 38.A N LEU 34.A O no hydrogen 2.990 N/A GLU 39.A N ASP 35.A O no hydrogen 3.098 N/A LEU 40.A N LEU 36.A O no hydrogen 2.859 N/A SER 41.A N LEU 37.A O no hydrogen 2.902 N/A SER 41.A OG LYS 38.A O no hydrogen 2.932 N/A ASN 42.A N LYS 38.A O no hydrogen 3.094 N/A ASN 42.A N GLU 39.A O no hydrogen 3.188 N/A ILE 43.A N GLU 39.A O no hydrogen 3.116 N/A LEU 44.A N LEU 40.A O no hydrogen 2.854 N/A GLY 45.A N SER 41.A O no hydrogen 2.728 N/A PHE 46.A N SER 41.A O no hydrogen 3.232 N/A ASP 49.A N LEU 3.A O no hydrogen 2.940 N/A VAL 50.A N ASN 26.A OD1 no hydrogen 2.878 N/A LYS 51.A N VAL 5.A O no hydrogen 2.759 N/A VAL 53.A N THR 7.A O no hydrogen 2.844 N/A GLY 56.A N VAL 53.A O no hydrogen 2.949 N/A TYR 58.A OH GLU 10.A OE2 no hydrogen 2.785 N/A ALA 60.A N ASN 68.A OD1 no hydrogen 2.811 N/A ASN 62.A N GLU 66.A O no hydrogen 2.927 N/A GLY 65.A N ASN 62.A O no hydrogen 2.777 N/A GLU 66.A N ASN 62.A OD1 no hydrogen 2.885 N/A ASN 68.A N ALA 60.A O no hydrogen 3.187 N/A GLY 69.A N ASP 55.A OD2 no hydrogen 3.021 N/A MET 70.A N LYS 57.A O no hydrogen 3.088 N/A VAL 71.A N TYR 58.A O no hydrogen 3.161 N/A LYS 72.A N ASN 68.A O no hydrogen 3.016 N/A LYS 72.A NZ ASP 76.A OD1 no hydrogen 2.972 N/A GLU 73.A N GLY 69.A O no hydrogen 2.930 N/A LEU 74.A N MET 70.A O no hydrogen 3.028 N/A ILE 75.A N VAL 71.A O no hydrogen 2.980 N/A ASP 76.A N LYS 72.A O no hydrogen 3.005 N/A HIS 77.A N LEU 74.A O no hydrogen 2.960 N/A ARG 78.A N GLU 73.A O no hydrogen 2.855 N/A ASP 80.A N ILE 4.A O no hydrogen 2.820 N/A LEU 81.A N ILE 4.A O no hydrogen 3.347 N/A ALA 82.A N GLY 216.A O no hydrogen 2.752 N/A VAL 83.A N THR 6.A O no hydrogen 3.335 N/A LEU 86.A N ALA 84.A O no hydrogen 2.473 N/A THR 87.A OG1 GLU 187.A OE2 no hydrogen 2.788 N/A ILE 88.A N GLY 212.A O no hydrogen 2.908 N/A ARG 92.A N THR 89.A OG1 no hydrogen 3.266 N/A ARG 92.A NE GLY 59.A O no hydrogen 3.125 N/A ARG 92.A NH1 THR 87.A O no hydrogen 3.103 N/A ARG 92.A NH2 GLY 59.A O no hydrogen 3.171 N/A GLU 93.A N THR 89.A O no hydrogen 2.808 N/A LYS 94.A NZ TYR 90.A OH no hydrogen 3.278 N/A VAL 95.A N ARG 92.A O no hydrogen 2.979 N/A ILE 96.A N ARG 92.A O no hydrogen 3.169 N/A ASP 97.A N THR 217.A O no hydrogen 2.876 N/A PHE 98.A N GLU 93.A OE2 no hydrogen 3.360 N/A SER 99.A N VAL 215.A O no hydrogen 3.018 N/A SER 99.A OG LYS 100.A O no hydrogen 3.035 N/A SER 99.A OG VAL 215.A O no hydrogen 3.552 N/A LYS 100.A N THR 228.A OG1 no hydrogen 2.955 N/A PHE 102.A N TYR 213.A O no hydrogen 2.818 N/A LEU 105.A N LYS 211.A O no hydrogen 2.685 N/A GLY 106.A N SER 188.A OG no hydrogen 2.855 N/A ILE 107.A N ASP 209.A OD1 no hydrogen 2.623 N/A SER 108.A N MET 186.A O no hydrogen 2.839 N/A SER 108.A OG ILE 204.A O no hydrogen 3.556 N/A SER 108.A OG GLY 206.A O no hydrogen 2.917 N/A ILE 109.A N SER 108.A OG no hydrogen 2.776 N/A LEU 110.A N LEU 184.A O no hydrogen 2.853 N/A TYR 111.A N THR 202.A O no hydrogen 3.186 N/A TYR 111.A OH ASP 181.A OD1 no hydrogen 2.661 N/A ARG 112.A NH1 ASP 181.A OD1 no hydrogen 3.025 N/A ARG 112.A NH2 ASP 181.A OD1 no hydrogen 2.676 N/A LYS 113.A N ASN 200.A O no hydrogen 2.853 N/A LYS 113.A NZ CYS 199.A O no hydrogen 2.991 N/A ASP 118.A N ASP 122.A OD2 no hydrogen 2.946 N/A SER 119.A OG ASP 122.A OD2 no hydrogen 3.024 N/A ASP 122.A N SER 119.A OG no hydrogen 3.203 N/A LEU 123.A N SER 119.A O no hydrogen 3.364 N/A ALA 124.A N ALA 120.A O no hydrogen 3.032 N/A LYS 125.A N ASP 121.A O no hydrogen 3.103 N/A GLN 126.A N LEU 123.A O no hydrogen 3.211 N/A GLN 126.A NE2 LEU 123.A O no hydrogen 2.801 N/A GLN 126.A NE2 ILE 129.A O no hydrogen 3.072 N/A ILE 129.A N GLN 126.A OE1 no hydrogen 2.599 N/A GLU 130.A N ASP 181.A O no hydrogen 3.269 N/A GLY 132.A N ALA 183.A O no hydrogen 3.163 N/A ARG 135.A N VAL 167.A O no hydrogen 2.825 N/A GLY 137.A N VAL 134.A O no hydrogen 3.196 N/A THR 141.A N GLY 137.A O no hydrogen 3.133 N/A THR 141.A OG1 GLY 137.A O no hydrogen 3.338 N/A PHE 142.A N SER 138.A O no hydrogen 3.008 N/A PHE 143.A N THR 139.A O no hydrogen 3.294 N/A LYS 144.A N MET 140.A O no hydrogen 2.886 N/A LYS 145.A N THR 141.A O no hydrogen 2.957 N/A SER 146.A N PHE 142.A O no hydrogen 3.002 N/A ILE 148.A N SER 146.A OG no hydrogen 3.151 N/A THR 150.A OG1 ASP 121.A OD1 no hydrogen 3.348 N/A GLU 152.A N ILE 148.A O no hydrogen 2.750 N/A LYS 153.A N SER 149.A O no hydrogen 2.827 N/A MET 154.A N THR 150.A O no hydrogen 3.152 N/A TRP 155.A N TYR 151.A O no hydrogen 2.965 N/A ALA 156.A N GLU 152.A O no hydrogen 2.992 N/A PHE 157.A N LYS 153.A O no hydrogen 3.107 N/A MET 158.A N MET 154.A O no hydrogen 2.884 N/A SER 159.A N TRP 155.A O no hydrogen 2.930 N/A SER 159.A OG TRP 155.A O no hydrogen 2.746 N/A SER 159.A OG ALA 156.A O no hydrogen 3.439 N/A SER 160.A N PHE 157.A O no hydrogen 3.302 N/A SER 160.A OG PHE 157.A O no hydrogen 2.847 N/A ARG 161.A NE SER 160.A OG no hydrogen 3.026 N/A GLN 163.A N SER 160.A O no hydrogen 2.892 N/A SER 164.A N ARG 161.A O no hydrogen 3.213 N/A SER 164.A OG ARG 161.A O no hydrogen 3.513 N/A LEU 166.A N GLN 163.A O no hydrogen 3.069 N/A VAL 167.A N ALA 133.A O no hydrogen 3.049 N/A LYS 168.A N GLU 172.A OE1 no hydrogen 2.528 N/A GLU 172.A N ASN 169.A OD1 no hydrogen 2.867 N/A GLY 173.A N ASN 169.A O no hydrogen 3.111 N/A ILE 174.A N SER 170.A O no hydrogen 2.842 N/A GLN 175.A N ASP 171.A O no hydrogen 2.972 N/A ARG 176.A N GLU 172.A O no hydrogen 2.966 N/A ARG 176.A NH1 SER 164.A O no hydrogen 2.959 N/A ARG 176.A NH2 GLU 130.A OE1 no hydrogen 2.825 N/A ARG 176.A NH2 SER 164.A O no hydrogen 3.169 N/A VAL 177.A N GLY 173.A O no hydrogen 2.919 N/A LEU 178.A N ILE 174.A O no hydrogen 2.938 N/A THR 179.A N GLN 175.A O no hydrogen 2.964 N/A THR 179.A OG1 GLN 175.A O no hydrogen 3.086 N/A THR 180.A N ARG 176.A O no hydrogen 3.018 N/A THR 180.A OG1 ARG 176.A O no hydrogen 2.863 N/A TYR 182.A OH ALA 165.A O no hydrogen 2.637 N/A ALA 183.A N GLU 130.A O no hydrogen 2.827 N/A LEU 184.A N LEU 110.A O no hydrogen 2.888 N/A LEU 185.A N GLY 132.A O no hydrogen 2.824 N/A MET 186.A N SER 108.A O no hydrogen 2.894 N/A SER 188.A N GLY 106.A O no hydrogen 2.639 N/A SER 188.A OG GLY 106.A O no hydrogen 3.194 N/A THR 189.A OG1 TYR 13.A OH no hydrogen 3.340 N/A THR 189.A OG1 TYR 213.A OH no hydrogen 3.187 N/A SER 190.A N GLU 187.A O no hydrogen 2.815 N/A ILE 191.A N GLU 187.A O no hydrogen 3.099 N/A GLU 192.A N SER 188.A O no hydrogen 2.958 N/A TYR 193.A N THR 189.A O no hydrogen 3.329 N/A TYR 193.A OH GLU 11.A OE1 no hydrogen 2.967 N/A VAL 194.A N SER 190.A O no hydrogen 2.998 N/A THR 195.A N ILE 191.A O no hydrogen 2.770 N/A THR 195.A OG1 ILE 191.A O no hydrogen 2.980 N/A THR 195.A OG1 GLU 192.A O no hydrogen 3.231 N/A GLN 196.A N GLU 192.A O no hydrogen 3.174 N/A ARG 197.A N VAL 194.A O no hydrogen 2.863 N/A ARG 197.A NH1 TYR 193.A O no hydrogen 3.064 N/A ARG 197.A NH1 TRP 248.A O no hydrogen 3.040 N/A ARG 197.A NH2 TRP 248.A O no hydrogen 3.070 N/A ASN 200.A N ASN 198.A OD1 no hydrogen 3.209 N/A ASN 200.A ND2 ASN 198.A OD1 no hydrogen 3.057 N/A LEU 201.A N ASN 198.A O no hydrogen 3.036 N/A THR 202.A N TYR 111.A O no hydrogen 2.982 N/A THR 202.A OG1 GLN 203.A O no hydrogen 3.360 N/A GLN 203.A NE2 GLY 205.A O no hydrogen 3.158 N/A ILE 204.A N ILE 109.A O no hydrogen 2.688 N/A ILE 208.A N ILE 107.A O no hydrogen 2.920 N/A LYS 211.A N LEU 105.A O no hydrogen 2.695 N/A TYR 213.A N MET 103.A O no hydrogen 2.858 N/A TYR 213.A OH GLU 187.A OE1 no hydrogen 2.609 N/A TYR 213.A OH THR 189.A OG1 no hydrogen 3.187 N/A GLY 214.A N LEU 86.A O no hydrogen 3.473 N/A VAL 215.A N SER 99.A OG no hydrogen 2.946 N/A GLY 216.A N ALA 82.A O no hydrogen 2.801 N/A THR 217.A N ASP 97.A O no hydrogen 2.849 N/A THR 217.A OG1 ASP 97.A O no hydrogen 3.181 N/A THR 217.A OG1 PRO 218.A O no hydrogen 3.337 N/A GLY 220.A N ASP 97.A OD2 no hydrogen 2.821 N/A SER 221.A N PRO 218.A O no hydrogen 3.104 N/A TYR 223.A N SER 221.A OG no hydrogen 3.174 N/A ARG 224.A NE PHE 98.A O no hydrogen 3.255 N/A ILE 227.A N TYR 223.A O no hydrogen 2.783 N/A THR 228.A N ARG 224.A O no hydrogen 3.008 N/A THR 228.A OG1 ARG 224.A O no hydrogen 3.336 N/A ILE 229.A N ASP 225.A O no hydrogen 3.013 N/A ALA 230.A N LYS 226.A O no hydrogen 3.075 N/A ILE 231.A N ILE 227.A O no hydrogen 2.829 N/A LEU 232.A N THR 228.A O no hydrogen 3.014 N/A GLN 233.A N ILE 229.A O no hydrogen 3.050 N/A LEU 234.A N ALA 230.A O no hydrogen 2.892 N/A GLN 235.A N ILE 231.A O no hydrogen 2.825 N/A GLU 236.A N LEU 232.A O no hydrogen 2.893 N/A GLU 237.A N GLN 233.A O no hydrogen 3.175 N/A GLY 238.A N GLN 235.A O no hydrogen 3.029 N/A LYS 239.A N LEU 234.A O no hydrogen 2.993 N/A LEU 240.A N LEU 234.A O no hydrogen 3.429 N/A MET 242.A N GLY 238.A O no hydrogen 2.983 N/A MET 243.A N LYS 239.A O no hydrogen 2.840 N/A LYS 244.A N LEU 240.A O no hydrogen 2.978 N/A LYS 244.A NZ GLU 192.A OE2 no hydrogen 2.735 N/A GLU 245.A N HIS 241.A O no hydrogen 3.048 N/A LYS 246.A N MET 242.A O no hydrogen 3.033 N/A LYS 246.A NZ ASP 35.A OD1 no hydrogen 3.020 N/A TRP 247.A N MET 243.A O no hydrogen 3.209 N/A TRP 247.A NE1 ASP 35.A OD1 no hydrogen 2.793 N/A TRP 248.A N LYS 244.A O no hydrogen 2.836 N/A TRP 248.A NE1 THR 189.A O no hydrogen 2.898 N/A