Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pwy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N VAL 15.A O no hydrogen 2.758 N/A LEU 4.A N HIS 55.A O no hydrogen 2.836 N/A LEU 5.A N TYR 13.A O no hydrogen 2.810 N/A LYS 6.A N SER 53.A O no hydrogen 3.019 N/A ASP 7.A N ARG 11.A O no hydrogen 3.149 N/A ARG 8.A N GLU 50.A OE2 no hydrogen 2.894 N/A GLY 10.A N ASP 7.A O no hydrogen 2.971 N/A ARG 11.A N ASP 7.A OD1 no hydrogen 2.938 N/A TYR 13.A N LEU 5.A O no hydrogen 2.829 N/A TYR 13.A OH ASP 7.A OD2 no hydrogen 3.130 N/A VAL 15.A N LEU 3.A O no hydrogen 2.836 N/A LYS 18.A N HIS 32.A ND1 no hydrogen 2.957 N/A GLY 20.A N GLU 33.A OE2 no hydrogen 2.845 N/A GLY 21.A N LYS 18.A O no hydrogen 2.859 N/A PHE 23.A N VAL 30.A O no hydrogen 2.816 N/A HIS 25.A NE2 ASP 7.A OD2 no hydrogen 2.941 N/A LYS 27.A N HIS 25.A ND1 no hydrogen 3.369 N/A GLY 28.A N HIS 25.A O no hydrogen 2.962 N/A SER 29.A OG HIS 24.A ND1 no hydrogen 3.210 N/A VAL 30.A N PHE 23.A O no hydrogen 2.866 N/A HIS 32.A N GLY 21.A O no hydrogen 2.813 N/A GLU 33.A N GLU 33.A OE1 no hydrogen 2.726 N/A ALA 34.A N PRO 31.A O no hydrogen 2.938 N/A LEU 36.A N HIS 32.A O no hydrogen 3.054 N/A GLU 37.A N GLU 33.A O no hydrogen 2.874 N/A ALA 38.A N ALA 34.A O no hydrogen 2.952 N/A GLY 39.A N LEU 35.A O no hydrogen 2.882 N/A GLY 41.A N VAL 54.A O no hydrogen 2.774 N/A GLY 42.A N GLY 39.A O no hydrogen 2.865 N/A VAL 44.A N LEU 52.A O no hydrogen 2.918 N/A THR 46.A N GLU 50.A O no hydrogen 3.004 N/A THR 46.A OG1 LYS 27.A O no hydrogen 3.218 N/A HIS 47.A N LYS 27.A O no hydrogen 2.939 N/A GLU 50.A N HIS 47.A O no hydrogen 2.931 N/A GLU 51.A N GLU 50.A OE2 no hydrogen 2.897 N/A LEU 52.A N VAL 44.A O no hydrogen 2.932 N/A SER 53.A N LYS 6.A O no hydrogen 2.772 N/A SER 53.A OG LYS 6.A O no hydrogen 3.230 N/A SER 53.A OG HIS 55.A NE2 no hydrogen 2.929 N/A VAL 54.A N GLY 42.A O no hydrogen 2.883 N/A HIS 55.A N LEU 4.A O no hydrogen 2.865 N/A HIS 55.A NE2 SER 53.A OG no hydrogen 2.929 N/A THR 58.A N GLU 61.A OE1 no hydrogen 2.950 N/A GLU 61.A N THR 58.A OG1 no hydrogen 3.032 N/A TYR 62.A N THR 58.A O no hydrogen 2.825 N/A TYR 62.A OH ASN 133.A O no hydrogen 2.599 N/A LEU 63.A N LEU 59.A O no hydrogen 2.929 N/A LEU 64.A N GLU 60.A O no hydrogen 3.192 N/A HIS 65.A N TYR 62.A O no hydrogen 3.158 N/A MET 66.A N TYR 62.A O no hydrogen 2.765 N/A ARG 68.A NE MET 66.A O no hydrogen 2.846 N/A ARG 68.A NH1 MET 66.A O no hydrogen 2.924 N/A SER 69.A N SER 100.A OG no hydrogen 3.255 N/A ALA 70.A N SER 69.A OG no hydrogen 2.721 N/A THR 73.A OG1 ASP 166.A OD2 no hydrogen 2.848 N/A LYS 76.A NZ ASP 77.A OD1 no hydrogen 2.814 N/A LYS 76.A NZ ASP 77.A OD2 no hydrogen 3.312 N/A LYS 76.A NZ VAL 217.A O no hydrogen 2.712 N/A LYS 76.A NZ THR 239.A OG1 no hydrogen 2.798 N/A ASP 77.A N TYR 74.A O no hydrogen 2.981 N/A ALA 78.A N TYR 74.A O no hydrogen 2.931 N/A SER 79.A N PRO 75.A O no hydrogen 2.971 N/A ALA 80.A N LYS 76.A O no hydrogen 3.244 N/A MET 81.A N ASP 77.A O no hydrogen 2.808 N/A VAL 82.A N ALA 78.A O no hydrogen 3.094 N/A THR 83.A N SER 79.A O no hydrogen 3.426 N/A LEU 84.A N ALA 80.A O no hydrogen 2.806 N/A LEU 85.A N MET 81.A O no hydrogen 2.836 N/A ASP 86.A N THR 83.A O no hydrogen 2.949 N/A LEU 87.A N VAL 82.A O no hydrogen 3.247 N/A GLY 90.A N VAL 111.A O no hydrogen 2.800 N/A MET 91.A N ALA 88.A O no hydrogen 3.240 N/A ARG 92.A N ASP 161.A OD2 no hydrogen 2.770 N/A ARG 92.A NH1 ALA 159.A O no hydrogen 3.119 N/A VAL 93.A N LEU 116.A O no hydrogen 2.833 N/A LEU 94.A N GLY 162.A O no hydrogen 3.056 N/A GLU 95.A N GLU 118.A O no hydrogen 2.896 N/A ALA 96.A N ALA 164.A O no hydrogen 3.169 N/A GLY 97.A N ASP 166.A O no hydrogen 3.043 N/A THR 98.A N TYR 120.A O no hydrogen 2.949 N/A THR 98.A OG1 SER 119.A OG no hydrogen 2.690 N/A GLY 99.A N GLU 121.A OE1 no hydrogen 2.843 N/A SER 100.A OG ALA 70.A O no hydrogen 2.589 N/A GLY 101.A N THR 98.A O no hydrogen 2.972 N/A THR 104.A OG1 GLU 95.A OE1 no hydrogen 2.699 N/A THR 104.A OG1 GLU 95.A OE2 no hydrogen 3.310 N/A LEU 105.A N GLY 101.A O no hydrogen 3.052 N/A PHE 106.A N GLY 102.A O no hydrogen 3.447 N/A LEU 107.A N LEU 103.A O no hydrogen 2.876 N/A ALA 108.A N THR 104.A O no hydrogen 2.851 N/A ARG 109.A N LEU 105.A O no hydrogen 3.058 N/A ALA 110.A N PHE 106.A O no hydrogen 3.150 N/A VAL 111.A N LEU 107.A O no hydrogen 3.098 N/A GLY 112.A N ALA 108.A O no hydrogen 3.050 N/A GLY 115.A N GLY 112.A O no hydrogen 2.864 N/A LEU 116.A N MET 91.A O no hydrogen 2.994 N/A VAL 117.A N ASN 142.A O no hydrogen 2.922 N/A GLU 118.A N VAL 93.A O no hydrogen 2.850 N/A SER 119.A N ARG 144.A O no hydrogen 2.926 N/A SER 119.A OG GLU 95.A OE1 no hydrogen 2.650 N/A SER 119.A OG THR 98.A OG1 no hydrogen 2.690 N/A TYR 120.A N GLU 95.A O no hydrogen 2.805 N/A GLU 121.A N HIS 146.A O no hydrogen 2.901 N/A ARG 123.A N GLU 121.A OE2 no hydrogen 2.828 N/A LEU 127.A N ARG 123.A O no hydrogen 2.930 N/A ALA 128.A N PRO 124.A O no hydrogen 2.908 N/A GLN 129.A N HIS 125.A O no hydrogen 3.153 N/A GLN 129.A NE2 ASN 133.A OD1 no hydrogen 2.920 N/A ALA 130.A N HIS 126.A O no hydrogen 2.906 N/A GLU 131.A N LEU 127.A O no hydrogen 2.855 N/A ARG 132.A N ALA 128.A O no hydrogen 3.069 N/A ARG 132.A NH2 GLN 129.A OE1 no hydrogen 3.095 N/A ASN 133.A N GLN 129.A O no hydrogen 2.842 N/A ASN 133.A ND2 LYS 67.A O no hydrogen 2.809 N/A ASN 133.A ND2 SER 100.A O no hydrogen 2.897 N/A VAL 134.A N ALA 130.A O no hydrogen 2.911 N/A ARG 135.A N GLU 131.A O no hydrogen 2.929 N/A ALA 136.A N ARG 132.A O no hydrogen 2.962 N/A PHE 137.A N VAL 134.A O no hydrogen 3.147 N/A TRP 138.A N VAL 134.A O no hydrogen 2.870 N/A TRP 138.A NE1 ASN 142.A OD1 no hydrogen 2.945 N/A ASN 142.A ND2 ALA 108.A O no hydrogen 2.996 N/A ASN 142.A ND2 GLY 112.A O no hydrogen 2.841 N/A ARG 144.A N VAL 117.A O no hydrogen 2.861 N/A ARG 144.A NH1 GLU 118.A OE2 no hydrogen 3.261 N/A HIS 146.A N SER 119.A O no hydrogen 2.801 N/A GLY 148.A N GLU 121.A O no hydrogen 2.883 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.667 N/A GLU 152.A N LYS 149.A O no hydrogen 3.047 N/A ALA 153.A N LEU 150.A O no hydrogen 2.989 N/A ALA 158.A N LEU 179.A O no hydrogen 2.864 N/A TYR 160.A N ALA 180.A O no hydrogen 3.102 N/A TYR 160.A OH GLU 118.A OE1 no hydrogen 2.651 N/A ASP 161.A N ARG 92.A O no hydrogen 2.690 N/A VAL 163.A N PHE 186.A O no hydrogen 3.024 N/A ALA 164.A N LEU 94.A O no hydrogen 2.748 N/A LEU 165.A N VAL 188.A O no hydrogen 2.876 N/A ASP 166.A N ALA 96.A O no hydrogen 2.809 N/A LYS 172.A N GLU 169.A O no hydrogen 3.079 N/A VAL 173.A N PRO 170.A O no hydrogen 3.073 N/A LEU 174.A N TRP 171.A O no hydrogen 3.403 N/A LYS 176.A NZ ALA 153.A O no hydrogen 2.764 N/A ALA 177.A N VAL 173.A O no hydrogen 2.842 N/A ALA 178.A N LEU 174.A O no hydrogen 2.817 N/A LEU 179.A N GLU 175.A O no hydrogen 3.124 N/A ALA 180.A N LYS 176.A O no hydrogen 2.956 N/A LEU 181.A N ALA 177.A O no hydrogen 2.964 N/A LYS 182.A N TYR 160.A O no hydrogen 2.936 N/A LYS 182.A NZ ASP 161.A OD1 no hydrogen 2.801 N/A ASP 184.A N ARG 247.A O no hydrogen 2.818 N/A ARG 185.A N LYS 182.A O no hydrogen 3.118 N/A ARG 185.A NE ASP 161.A O no hydrogen 2.987 N/A ARG 185.A NH1 ASP 86.A OD2 no hydrogen 2.818 N/A ARG 185.A NH2 ASP 86.A O no hydrogen 2.872 N/A ARG 185.A NH2 ASP 161.A O no hydrogen 3.415 N/A LEU 187.A N LEU 245.A O no hydrogen 2.902 N/A VAL 188.A N VAL 163.A O no hydrogen 2.886 N/A ALA 189.A N VAL 243.A O no hydrogen 2.820 N/A TYR 190.A N LEU 165.A O no hydrogen 2.926 N/A LEU 191.A N PHE 241.A O no hydrogen 2.878 N/A ASN 193.A N GLN 196.A OE1 no hydrogen 2.996 N/A ASN 193.A ND2 GLN 196.A OE1 no hydrogen 3.090 N/A GLN 196.A NE2 MET 168.A O no hydrogen 3.362 N/A VAL 197.A N ASN 193.A O no hydrogen 3.093 N/A LEU 198.A N ILE 194.A O no hydrogen 2.925 N/A GLU 199.A N THR 195.A O no hydrogen 2.996 N/A LEU 200.A N GLN 196.A O no hydrogen 2.879 N/A VAL 201.A N VAL 197.A O no hydrogen 2.901 N/A ARG 202.A N LEU 198.A O no hydrogen 3.011 N/A ALA 203.A N GLU 199.A O no hydrogen 2.883 N/A ALA 204.A N LEU 200.A O no hydrogen 2.848 N/A GLU 205.A N ARG 202.A O no hydrogen 3.092 N/A ALA 206.A N ALA 203.A O no hydrogen 3.050 N/A HIS 207.A N ALA 204.A O no hydrogen 3.138 N/A PHE 209.A N HIS 207.A O no hydrogen 2.773 N/A ARG 210.A N ARG 246.A O no hydrogen 2.800 N/A GLU 212.A N ALA 244.A O no hydrogen 2.868 N/A ARG 213.A N ALA 244.A O no hydrogen 3.209 N/A LEU 215.A N LEU 242.A O no hydrogen 2.894 N/A GLU 221.A N GLN 235.A OE1 no hydrogen 3.037 N/A GLU 223.A N HIS 230.A O no hydrogen 2.769 N/A ARG 225.A N VAL 228.A O no hydrogen 2.870 N/A VAL 228.A N ARG 225.A O no hydrogen 2.929 N/A HIS 230.A N GLU 223.A O no hydrogen 3.040 N/A HIS 230.A ND1 PRO 231.A O no hydrogen 2.712 N/A ARG 232.A N GLU 221.A O no hydrogen 2.767 N/A GLN 235.A NE2 GLU 221.A O no hydrogen 2.766 N/A GLN 235.A NE2 ARG 232.A O no hydrogen 3.153 N/A HIS 238.A NE2 PRO 192.A O no hydrogen 2.761 N/A THR 239.A OG1 ASP 77.A OD1 no hydrogen 3.470 N/A THR 239.A OG1 ASP 77.A OD2 no hydrogen 2.429 N/A ALA 240.A N THR 239.A OG1 no hydrogen 2.821 N/A PHE 241.A N LEU 191.A O no hydrogen 2.686 N/A LEU 242.A N LEU 215.A O no hydrogen 2.845 N/A VAL 243.A N ALA 189.A O no hydrogen 2.842 N/A ALA 244.A N ARG 213.A O no hydrogen 2.849 N/A LEU 245.A N LEU 187.A O no hydrogen 2.787 N/A ARG 246.A N ARG 210.A O no hydrogen 2.784 N/A ARG 246.A NE GLU 212.A OE2 no hydrogen 3.333 N/A ARG 246.A NH1 ASP 184.A O no hydrogen 3.131 N/A ARG 246.A NH1 ASP 184.A OD1 no hydrogen 3.445 N/A ARG 247.A N ARG 185.A O no hydrogen 2.859 N/A ARG 247.A NE ALA 178.A O no hydrogen 2.770 N/A ARG 247.A NH1 TRP 248.A O no hydrogen 3.054 N/A ARG 247.A NH2 ALA 178.A O no hydrogen 3.344 N/A TRP 248.A N PRO 208.A O no hydrogen 2.892 N/A