Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3py2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NE ASP 225.A OD2 no hydrogen 2.861 N/A ARG 1.A NH1 ASP 225.A OD2 no hydrogen 3.251 N/A ARG 1.A NH2 ASN 200.A O no hydrogen 2.815 N/A LYS 2.A NZ PRO 32.A O no hydrogen 2.847 N/A LYS 2.A NZ ASP 36.A OD1 no hydrogen 3.569 N/A PHE 4.A N ASP 225.A O no hydrogen 3.024 N/A VAL 5.A N ASP 36.A O no hydrogen 2.810 N/A ALA 6.A N PHE 227.A O no hydrogen 2.874 N/A ALA 7.A N VAL 38.A O no hydrogen 2.718 N/A ASN 8.A N VAL 229.A O no hydrogen 2.932 N/A TRP 9.A N PHE 40.A O no hydrogen 3.265 N/A TRP 9.A NE1 SER 233.A O no hydrogen 2.971 N/A LYS 10.A N ASN 8.A OD1 no hydrogen 2.990 N/A LYS 10.A NZ GLU 95.A OE1 no hydrogen 2.659 N/A ASN 12.A ND2 TRP 9.A O no hydrogen 2.811 N/A THR 14.A N SER 17.A OG no hydrogen 2.807 N/A SER 17.A N THR 14.A OG1 no hydrogen 2.960 N/A SER 17.A OG THR 14.A O no hydrogen 3.155 N/A SER 17.A OG THR 14.A OG1 no hydrogen 3.288 N/A ILE 18.A N THR 14.A O no hydrogen 2.999 N/A LYS 19.A N LEU 15.A O no hydrogen 3.065 N/A SER 20.A N GLU 16.A O no hydrogen 3.101 N/A LEU 21.A N SER 17.A O no hydrogen 2.914 N/A THR 22.A N ILE 18.A O no hydrogen 2.837 N/A THR 22.A OG1 ILE 18.A O no hydrogen 2.691 N/A THR 22.A OG1 LYS 19.A O no hydrogen 3.239 N/A ASN 23.A N LYS 19.A O no hydrogen 3.387 N/A SER 24.A N SER 20.A O no hydrogen 3.368 N/A SER 24.A OG SER 20.A O no hydrogen 3.124 N/A PHE 25.A N LEU 21.A O no hydrogen 2.973 N/A ASN 26.A N THR 22.A O no hydrogen 2.843 N/A ASN 26.A ND2 LEU 52.A O no hydrogen 2.938 N/A ASN 27.A N SER 24.A O no hydrogen 3.310 N/A LEU 28.A N PHE 25.A O no hydrogen 3.095 N/A SER 33.A N ASP 31.A OD1 no hydrogen 2.958 N/A SER 33.A OG ASP 31.A OD1 no hydrogen 2.661 N/A SER 33.A OG ASP 31.A OD2 no hydrogen 3.281 N/A LYS 34.A N ASP 31.A O no hydrogen 3.012 N/A LEU 35.A N ASP 31.A O no hydrogen 3.022 N/A ASP 36.A N TYR 3.A O no hydrogen 3.023 N/A VAL 38.A N VAL 5.A O no hydrogen 2.938 N/A VAL 39.A N SER 58.A O no hydrogen 2.837 N/A PHE 40.A N ALA 7.A O no hydrogen 2.728 N/A HIS 45.A N VAL 42.A O no hydrogen 2.779 N/A TYR 46.A N SER 43.A O no hydrogen 3.133 N/A TYR 46.A OH THR 59.A OG1 no hydrogen 2.839 N/A THR 49.A N HIS 45.A O no hydrogen 2.855 N/A THR 49.A OG1 HIS 45.A O no hydrogen 2.829 N/A ARG 50.A N TYR 46.A O no hydrogen 2.780 N/A ARG 50.A NE ARG 50.A O no hydrogen 2.893 N/A ARG 50.A NH1 PHE 57.A O no hydrogen 2.771 N/A ARG 50.A NH2 LEU 53.A O no hydrogen 3.141 N/A ARG 50.A NH2 PHE 57.A O no hydrogen 2.856 N/A LYS 51.A N ASP 47.A O no hydrogen 3.057 N/A LYS 51.A NZ ASP 47.A OD1 no hydrogen 3.299 N/A LYS 51.A NZ ASP 47.A OD2 no hydrogen 2.754 N/A LEU 52.A N HIS 48.A O no hydrogen 3.187 N/A LEU 53.A N THR 49.A O no hydrogen 2.904 N/A GLN 54.A N ASN 26.A OD1 no hydrogen 2.939 N/A LYS 56.A NZ ASN 26.A O no hydrogen 2.900 N/A LYS 56.A NZ LEU 28.A O no hydrogen 2.750 N/A LYS 56.A NZ GLN 54.A OE1 no hydrogen 2.994 N/A PHE 57.A N GLN 54.A O no hydrogen 2.978 N/A SER 58.A N VAL 37.A O no hydrogen 2.800 N/A SER 58.A OG GLU 87.A OE1 no hydrogen 3.537 N/A THR 59.A OG1 TYR 46.A OH no hydrogen 2.839 N/A GLY 60.A N VAL 39.A O no hydrogen 3.015 N/A ILE 61.A N TYR 88.A O no hydrogen 2.976 N/A GLN 62.A NE2 LYS 10.A O no hydrogen 2.863 N/A GLN 62.A NE2 PHE 40.A O no hydrogen 3.002 N/A SER 65.A N VAL 76.A O no hydrogen 2.874 N/A SER 65.A OG PHE 67.A O no hydrogen 3.326 N/A LYS 66.A NZ ASP 106.A OD1 no hydrogen 2.737 N/A PHE 67.A N SER 65.A OG no hydrogen 2.984 N/A TYR 72.A N GLY 70.A O no hydrogen 2.920 N/A GLU 75.A N TYR 72.A O no hydrogen 3.101 N/A SER 77.A OG ASN 69.A OD1 no hydrogen 2.538 N/A ILE 80.A N SER 77.A OG no hydrogen 3.078 N/A ALA 81.A N SER 77.A O no hydrogen 3.075 N/A LYS 82.A N ALA 78.A O no hydrogen 2.925 N/A ASP 83.A N GLU 79.A O no hydrogen 3.102 N/A LEU 84.A N ILE 80.A O no hydrogen 3.119 N/A LEU 84.A N ALA 81.A O no hydrogen 3.223 N/A ASN 85.A N LYS 82.A O no hydrogen 3.039 N/A ILE 86.A N ALA 81.A O no hydrogen 2.832 N/A TYR 88.A N THR 59.A O no hydrogen 3.326 N/A VAL 89.A N LYS 120.A O no hydrogen 2.990 N/A ILE 90.A N ILE 61.A O no hydrogen 2.950 N/A ILE 91.A N VAL 122.A O no hydrogen 2.820 N/A PHE 94.A N GLU 163.A OE1 no hydrogen 2.868 N/A GLU 95.A N HIS 93.A ND1 no hydrogen 3.162 N/A ARG 96.A N HIS 93.A O no hydrogen 2.924 N/A ARG 96.A NE GLU 102.A OE2 no hydrogen 2.824 N/A ARG 97.A N HIS 93.A O no hydrogen 3.121 N/A ARG 97.A NE GLY 92.A O no hydrogen 2.903 N/A ARG 97.A NH1 ASP 104.A OD1 no hydrogen 2.875 N/A ARG 97.A NH2 SER 124.A O no hydrogen 2.886 N/A LYS 98.A N PHE 94.A O no hydrogen 2.818 N/A LYS 98.A NZ TYR 99.A OH no hydrogen 3.471 N/A TYR 99.A N GLU 95.A O no hydrogen 2.931 N/A PHE 100.A N ARG 96.A O no hydrogen 3.204 N/A GLU 102.A N ARG 96.A O no hydrogen 3.212 N/A THR 103.A N ASP 106.A OD2 no hydrogen 2.959 N/A ASP 106.A N THR 103.A OG1 no hydrogen 3.152 N/A VAL 107.A N THR 103.A O no hydrogen 2.993 N/A ARG 108.A N ASP 104.A O no hydrogen 2.896 N/A ARG 108.A NH1 ASP 150.A OD2 no hydrogen 2.922 N/A ARG 108.A NH2 ALA 147.A O no hydrogen 3.005 N/A ARG 108.A NH2 ASP 150.A OD1 no hydrogen 2.778 N/A ARG 108.A NH2 ASP 150.A OD2 no hydrogen 3.471 N/A GLU 109.A N GLU 105.A O no hydrogen 2.992 N/A LYS 110.A N ASP 106.A O no hydrogen 2.864 N/A LYS 110.A NZ ASN 63.A OD1 no hydrogen 3.076 N/A LYS 110.A NZ VAL 64.A O no hydrogen 2.796 N/A LYS 110.A NZ GLU 102.A OE2 no hydrogen 3.337 N/A LEU 111.A N VAL 107.A O no hydrogen 2.949 N/A GLN 112.A N ARG 108.A O no hydrogen 2.913 N/A ALA 113.A N GLU 109.A O no hydrogen 3.086 N/A SER 114.A N LYS 110.A O no hydrogen 3.008 N/A SER 114.A OG LYS 110.A O no hydrogen 2.762 N/A LEU 115.A N LEU 111.A O no hydrogen 2.972 N/A LYS 116.A N GLN 112.A O no hydrogen 3.047 N/A ASN 117.A N ALA 113.A O no hydrogen 3.191 N/A ASN 117.A N SER 114.A O no hydrogen 3.157 N/A ASN 117.A ND2 GLU 79.A OE2 no hydrogen 3.378 N/A ASN 117.A ND2 ALA 113.A O no hydrogen 2.845 N/A ASN 118.A N LEU 115.A O no hydrogen 2.954 N/A LEU 119.A N SER 114.A O no hydrogen 2.879 N/A LYS 120.A N GLU 87.A O no hydrogen 2.992 N/A LYS 120.A NZ GLU 87.A OE2 no hydrogen 3.228 N/A ALA 121.A N ASN 157.A O no hydrogen 2.953 N/A VAL 122.A N VAL 89.A O no hydrogen 2.723 N/A VAL 123.A N ILE 159.A O no hydrogen 2.764 N/A SER 124.A N ILE 91.A O no hydrogen 2.868 N/A SER 124.A OG GLU 163.A OE2 no hydrogen 3.040 N/A PHE 125.A N VAL 161.A O no hydrogen 3.135 N/A GLY 126.A N GLN 144.A OE1 no hydrogen 2.872 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.749 N/A SER 128.A N GLN 131.A OE1 no hydrogen 2.845 N/A GLN 131.A N SER 128.A OG no hydrogen 3.305 N/A ARG 132.A N SER 128.A O no hydrogen 2.974 N/A ARG 132.A NE GLU 127.A OE2 no hydrogen 2.866 N/A ARG 132.A NH1 GLU 127.A OE2 no hydrogen 3.102 N/A ARG 132.A NH1 TYR 162.A OH no hydrogen 3.513 N/A GLU 133.A N LEU 129.A O no hydrogen 2.837 N/A GLN 134.A N GLU 130.A O no hydrogen 3.075 N/A ASN 135.A N ARG 132.A O no hydrogen 2.821 N/A LYS 136.A N GLN 131.A O no hydrogen 2.875 N/A LYS 136.A NZ GLN 134.A OE1 no hydrogen 2.959 N/A THR 137.A OG1 GLU 127.A OE2 no hydrogen 2.663 N/A VAL 140.A N LYS 136.A O no hydrogen 2.911 N/A ILE 141.A N THR 137.A O no hydrogen 3.076 N/A THR 142.A N ILE 138.A O no hydrogen 2.831 N/A THR 142.A OG1 ILE 138.A O no hydrogen 2.757 N/A LYS 143.A N GLU 139.A O no hydrogen 3.229 N/A GLN 144.A N VAL 140.A O no hydrogen 2.991 N/A VAL 145.A N ILE 141.A O no hydrogen 2.807 N/A LYS 146.A N THR 142.A O no hydrogen 2.896 N/A PHE 148.A N VAL 145.A O no hydrogen 3.089 N/A VAL 149.A N VAL 145.A O no hydrogen 2.897 N/A LEU 151.A N PHE 148.A O no hydrogen 3.021 N/A ILE 152.A N VAL 149.A O no hydrogen 3.247 N/A ASN 154.A N ASP 153.A OD1 no hydrogen 2.675 N/A ASP 156.A N ASN 154.A OD1 no hydrogen 2.939 N/A ASN 157.A N ASN 154.A O no hydrogen 3.204 N/A ILE 159.A N ALA 121.A O no hydrogen 2.772 N/A LEU 160.A N ARG 203.A O no hydrogen 2.898 N/A VAL 161.A N VAL 123.A O no hydrogen 2.902 N/A TYR 162.A N LEU 205.A O no hydrogen 2.864 N/A TYR 162.A OH GLU 127.A OE1 no hydrogen 2.678 N/A TYR 162.A OH GLU 127.A OE2 no hydrogen 3.195 N/A GLU 163.A N PHE 125.A O no hydrogen 2.778 N/A LEU 165.A N GLU 163.A O no hydrogen 2.855 N/A TRP 166.A N GLU 127.A O no hydrogen 3.162 N/A TRP 166.A NE1 TYR 162.A OH no hydrogen 2.797 N/A ALA 167.A N PRO 164.A O no hydrogen 2.747 N/A ILE 168.A N LEU 165.A O no hydrogen 3.161 N/A THR 170.A OG1 TRP 166.A O no hydrogen 2.537 N/A LYS 172.A N THR 170.A OG1 no hydrogen 3.221 N/A THR 175.A N GLN 178.A OE1 no hydrogen 3.092 N/A GLN 178.A N THR 175.A OG1 no hydrogen 3.049 N/A ALA 179.A N THR 175.A O no hydrogen 2.961 N/A GLN 180.A N PRO 176.A O no hydrogen 2.887 N/A GLN 180.A NE2 ASP 223.A OD2 no hydrogen 2.800 N/A LEU 181.A N GLU 177.A O no hydrogen 2.913 N/A VAL 182.A N GLN 178.A O no hydrogen 3.386 N/A HIS 183.A N ALA 179.A O no hydrogen 2.932 N/A HIS 183.A ND1 ASP 223.A O no hydrogen 2.901 N/A LYS 184.A N GLN 180.A O no hydrogen 2.925 N/A GLU 185.A N LEU 181.A O no hydrogen 3.346 N/A ILE 186.A N VAL 182.A O no hydrogen 2.831 N/A ARG 187.A N HIS 183.A O no hydrogen 3.014 N/A ARG 187.A NE ASP 223.A OD1 no hydrogen 2.777 N/A ARG 187.A NH1 ALA 199.A O no hydrogen 2.837 N/A ARG 187.A NH1 ILE 202.A O no hydrogen 2.734 N/A ARG 187.A NH2 ASP 223.A O no hydrogen 3.144 N/A ARG 187.A NH2 ASP 225.A OD1 no hydrogen 2.801 N/A LYS 188.A N LYS 184.A O no hydrogen 3.042 N/A ILE 189.A N GLU 185.A O no hydrogen 2.940 N/A VAL 190.A N ILE 186.A O no hydrogen 2.988 N/A LYS 191.A N ARG 187.A O no hydrogen 2.860 N/A ASP 192.A N LYS 188.A O no hydrogen 3.050 N/A THR 193.A N ILE 189.A O no hydrogen 2.924 N/A THR 193.A N VAL 190.A O no hydrogen 3.302 N/A THR 193.A OG1 ILE 189.A O no hydrogen 2.780 N/A THR 193.A OG1 VAL 190.A O no hydrogen 3.301 N/A CYS 194.A N VAL 190.A O no hydrogen 2.739 N/A CYS 194.A SG VAL 149.A O no hydrogen 3.844 N/A CYS 194.A SG THR 193.A OG1 no hydrogen 3.505 N/A GLY 195.A N VAL 190.A O no hydrogen 3.381 N/A GLY 195.A N LYS 191.A O no hydrogen 2.910 N/A GLN 198.A N GLN 198.A OE1 no hydrogen 2.659 N/A ALA 199.A N GLY 195.A O no hydrogen 3.098 N/A ASN 200.A N GLU 196.A O no hydrogen 3.075 N/A GLN 201.A N LYS 197.A O no hydrogen 3.063 N/A GLN 201.A N GLN 198.A O no hydrogen 3.237 N/A ILE 202.A N GLN 198.A O no hydrogen 3.081 N/A ARG 203.A NH1 LYS 2.A O no hydrogen 2.881 N/A ARG 203.A NH1 ASP 36.A OD2 no hydrogen 2.958 N/A ARG 203.A NH2 ASP 156.A O no hydrogen 2.855 N/A ILE 204.A N ASP 225.A OD1 no hydrogen 2.917 N/A LEU 205.A N LEU 160.A O no hydrogen 2.669 N/A TYR 206.A N GLY 226.A O no hydrogen 2.967 N/A GLY 207.A N TYR 162.A O no hydrogen 2.752 N/A ASN 211.A N ASN 214.A OD1 no hydrogen 2.772 N/A ASN 214.A N ASN 211.A OD1 no hydrogen 2.932 N/A ASN 214.A ND2 SER 209.A O no hydrogen 2.981 N/A CYS 215.A N ASN 211.A O no hydrogen 3.095 N/A CYS 215.A SG THR 212.A O no hydrogen 3.593 N/A CYS 215.A SG SER 244.A OG no hydrogen 3.587 N/A SER 217.A OG ASN 214.A O no hydrogen 2.692 N/A LEU 218.A N ASN 214.A O no hydrogen 3.110 N/A ILE 219.A N CYS 215.A O no hydrogen 2.967 N/A GLN 220.A N SER 216.A O no hydrogen 3.146 N/A GLN 221.A N LEU 218.A O no hydrogen 3.198 N/A GLN 221.A NE2 SER 217.A O no hydrogen 3.444 N/A ASP 223.A N GLN 180.A OE1 no hydrogen 2.803 N/A ILE 224.A N GLN 221.A O no hydrogen 3.195 N/A ASP 225.A N ILE 204.A O no hydrogen 2.899 N/A PHE 227.A N PHE 4.A O no hydrogen 3.140 N/A LEU 228.A N TYR 206.A O no hydrogen 3.095 N/A VAL 229.A N ALA 6.A O no hydrogen 2.932 N/A SER 233.A N GLY 230.A O no hydrogen 2.982 N/A SER 233.A OG ASN 8.A O no hydrogen 3.506 N/A SER 233.A OG VAL 229.A O no hydrogen 3.082 N/A SER 233.A OG GLY 230.A O no hydrogen 2.685 N/A LEU 234.A N ASN 231.A O no hydrogen 3.005 N/A LYS 235.A N ALA 232.A O no hydrogen 3.369 N/A PHE 238.A N LYS 235.A O no hydrogen 3.171 N/A VAL 239.A N GLU 236.A O no hydrogen 3.325 N/A ASP 240.A N SER 237.A O no hydrogen 2.929 N/A ILE 242.A N PHE 238.A O no hydrogen 3.091 N/A LYS 243.A N VAL 239.A O no hydrogen 2.944 N/A SER 244.A N ASP 240.A O no hydrogen 3.244 N/A SER 244.A OG ILE 241.A O no hydrogen 2.621 N/A ALA 245.A N ILE 242.A O no hydrogen 3.044 N/A MET 246.A N LYS 243.A O no hydrogen 2.990 N/A