Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3up3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH ASP 195.A OD1 no hydrogen 2.697 N/A GLN 3.A N SER 1.A OG no hydrogen 3.286 N/A ASN 5.A N GLU 8.A OE1 no hydrogen 2.893 N/A GLU 8.A N ASN 5.A OD1 no hydrogen 2.877 N/A LEU 9.A N ASN 5.A O no hydrogen 2.960 N/A GLN 10.A N ALA 6.A O no hydrogen 2.916 N/A ALA 11.A N ALA 7.A O no hydrogen 2.973 N/A LEU 12.A N GLU 8.A O no hydrogen 3.050 N/A ASP 13.A N LEU 9.A O no hydrogen 2.974 N/A LEU 14.A N GLN 10.A O no hydrogen 2.910 N/A ILE 15.A N ALA 11.A O no hydrogen 2.952 N/A GLN 16.A N LEU 12.A O no hydrogen 2.934 N/A GLU 17.A N ASP 13.A O no hydrogen 2.863 N/A ALA 18.A N LEU 14.A O no hydrogen 2.951 N/A PHE 19.A N ILE 15.A O no hydrogen 3.038 N/A LYS 20.A N GLU 17.A O no hydrogen 3.225 N/A LYS 20.A NZ GLU 17.A OE2 no hydrogen 2.735 N/A MET 22.A N PHE 19.A O no hydrogen 3.122 N/A ASP 24.A N GLY 21.A O no hydrogen 3.058 N/A ARG 30.A NH1 GLU 232.A OE2 no hydrogen 2.996 N/A GLN 31.A N GLN 31.A OE1 no hydrogen 2.797 N/A GLN 31.A NE2 ASP 50.A OD2 no hydrogen 2.813 N/A THR 33.A N GLY 29.A O no hydrogen 3.014 N/A THR 33.A OG1 GLY 29.A O no hydrogen 3.009 N/A SER 34.A N ARG 30.A O no hydrogen 3.017 N/A SER 34.A OG ARG 30.A O no hydrogen 3.203 N/A SER 34.A OG ASP 44.A OD1 no hydrogen 2.689 N/A SER 34.A OG ASN 47.A OD1 no hydrogen 3.018 N/A PHE 35.A N GLN 31.A O no hydrogen 3.036 N/A LEU 36.A N ALA 32.A O no hydrogen 2.984 N/A LYS 37.A N SER 34.A O no hydrogen 3.416 N/A LYS 37.A NZ ASP 44.A OD1 no hydrogen 3.469 N/A LYS 37.A NZ ASP 44.A OD2 no hydrogen 2.795 N/A LYS 40.A NZ PHE 35.A O no hydrogen 3.196 N/A LYS 40.A NZ LYS 37.A O no hydrogen 2.735 N/A LYS 40.A NZ GLU 111.A O no hydrogen 2.781 N/A SER 41.A N ASP 44.A OD2 no hydrogen 2.833 N/A SER 41.A OG ASP 44.A OD2 no hydrogen 3.080 N/A ASP 44.A N SER 41.A OG no hydrogen 3.190 N/A ILE 45.A N SER 41.A O no hydrogen 3.222 N/A MET 46.A N PRO 42.A O no hydrogen 3.178 N/A ASN 47.A N ALA 43.A O no hydrogen 2.937 N/A ASN 47.A ND2 GLU 230.A O no hydrogen 3.587 N/A ILE 48.A N ASP 44.A O no hydrogen 2.993 N/A MET 49.A N ILE 45.A O no hydrogen 3.046 N/A ASP 50.A N MET 46.A O no hydrogen 3.185 N/A VAL 51.A N ILE 48.A O no hydrogen 3.145 N/A MET 53.A N MET 49.A O no hydrogen 2.974 N/A ARG 54.A N ASP 50.A O no hydrogen 2.991 N/A ARG 54.A NE ASP 50.A OD1 no hydrogen 3.268 N/A ARG 54.A NE ASP 50.A OD2 no hydrogen 2.873 N/A ARG 55.A N VAL 51.A O no hydrogen 3.084 N/A ARG 55.A NH1 MET 22.A O no hydrogen 2.969 N/A ARG 55.A NH1 ASP 24.A O no hydrogen 2.761 N/A ARG 55.A NH2 ASP 24.A O no hydrogen 3.300 N/A ARG 55.A NH2 PRO 25.A O no hydrogen 2.949 N/A PHE 56.A N THR 52.A O no hydrogen 2.891 N/A VAL 57.A N MET 53.A O no hydrogen 3.240 N/A LYS 58.A N ARG 54.A O no hydrogen 3.317 N/A MET 59.A N ARG 55.A O no hydrogen 2.866 N/A ALA 60.A N PHE 56.A O no hydrogen 3.023 N/A LYS 61.A N VAL 57.A O no hydrogen 3.184 N/A ARG 62.A N MET 59.A O no hydrogen 3.046 N/A ARG 62.A NH1 ARG 62.A O no hydrogen 2.839 N/A LEU 63.A N ALA 60.A O no hydrogen 2.981 N/A ASN 67.A N LEU 63.A O no hydrogen 2.946 N/A ASN 67.A ND2 LYS 61.A O no hydrogen 2.721 N/A ASP 68.A N PRO 64.A O no hydrogen 2.960 N/A LEU 69.A N PHE 66.A O no hydrogen 3.138 N/A SER 70.A N ASP 170.A OD1 no hydrogen 2.887 N/A SER 70.A OG ASP 170.A OD2 no hydrogen 2.632 N/A GLY 73.A N SER 70.A OG no hydrogen 2.966 N/A LYS 74.A N SER 70.A O no hydrogen 2.918 N/A LYS 74.A NZ ASN 67.A OD1 no hydrogen 3.432 N/A PHE 75.A N GLN 71.A O no hydrogen 3.015 N/A ALA 76.A N ASP 72.A O no hydrogen 2.971 N/A LEU 77.A N GLY 73.A O no hydrogen 2.955 N/A LEU 78.A N LYS 74.A O no hydrogen 3.072 N/A LYS 79.A N PHE 75.A O no hydrogen 2.900 N/A GLY 80.A N ALA 76.A O no hydrogen 2.895 N/A GLY 81.A N LEU 77.A O no hydrogen 2.888 N/A MET 82.A N LEU 78.A O no hydrogen 2.998 N/A MET 85.A N GLY 81.A O no hydrogen 2.981 N/A LEU 86.A N MET 82.A O no hydrogen 2.920 N/A THR 87.A N ILE 83.A O no hydrogen 2.910 N/A THR 87.A OG1 ILE 83.A O no hydrogen 2.911 N/A VAL 88.A N GLU 84.A O no hydrogen 3.166 N/A ARG 89.A N MET 85.A O no hydrogen 2.975 N/A ARG 89.A NH1 ASN 23.A OD1 no hydrogen 3.059 N/A ARG 89.A NH2 ASN 23.A OD1 no hydrogen 2.908 N/A GLY 90.A N LEU 86.A O no hydrogen 2.871 N/A VAL 91.A N THR 87.A O no hydrogen 2.997 N/A ARG 92.A N VAL 88.A O no hydrogen 3.106 N/A ARG 92.A NE ASP 147.A OD1 no hydrogen 2.707 N/A ARG 92.A NH1 ARG 92.A O no hydrogen 2.899 N/A ARG 93.A N ARG 89.A O no hydrogen 2.920 N/A ARG 93.A NE THR 102.A O no hydrogen 2.855 N/A ARG 93.A NH2 THR 102.A OG1 no hydrogen 2.983 N/A PHE 94.A N VAL 91.A O no hydrogen 3.474 N/A ASP 95.A N SER 100.A O no hydrogen 2.842 N/A SER 98.A N ASP 95.A OD1 no hydrogen 3.167 N/A SER 98.A OG ASP 95.A O no hydrogen 3.538 N/A SER 98.A OG SER 100.A OG no hydrogen 2.831 N/A SER 100.A N ASP 95.A O no hydrogen 3.255 N/A SER 100.A OG SER 98.A OG no hydrogen 2.831 N/A SER 100.A OG GLU 111.A OE2 no hydrogen 2.644 N/A TRP 101.A N VAL 112.A O no hydrogen 2.866 N/A THR 102.A N ARG 93.A O no hydrogen 3.108 N/A LEU 106.A N THR 103.A O no hydrogen 3.234 N/A SER 110.A N GLY 107.A O no hydrogen 3.053 N/A VAL 112.A N TRP 101.A O no hydrogen 2.870 N/A ILE 114.A N GLY 99.A O no hydrogen 2.948 N/A ASN 115.A N SER 113.A OG no hydrogen 3.040 N/A MET 116.A N SER 113.A O no hydrogen 2.983 N/A PHE 117.A N ILE 114.A O no hydrogen 3.168 N/A ASP 118.A N ASN 115.A O no hydrogen 2.963 N/A GLN 119.A N MET 116.A O no hydrogen 3.079 N/A LEU 120.A N PHE 117.A O no hydrogen 3.030 N/A ASN 121.A N LEU 221.A O no hydrogen 2.888 N/A VAL 124.A N ASN 121.A O no hydrogen 3.089 N/A ARG 125.A N ASN 121.A O no hydrogen 2.915 N/A ARG 125.A NH1 LEU 120.A O no hydrogen 3.025 N/A GLN 128.A N VAL 124.A O no hydrogen 3.148 N/A GLN 128.A NE2 ILE 214.A O no hydrogen 3.047 N/A GLN 128.A NE2 SER 217.A OG no hydrogen 3.023 N/A LYS 129.A N ARG 125.A O no hydrogen 2.961 N/A LYS 129.A NZ ASN 115.A OD1 no hydrogen 3.051 N/A LYS 129.A NZ ASP 118.A OD1 no hydrogen 2.886 N/A LYS 129.A NZ ASP 118.A OD2 no hydrogen 3.524 N/A MET 130.A N SER 126.A O no hydrogen 3.025 N/A ARG 131.A N GLU 127.A O no hydrogen 2.852 N/A ARG 131.A NH1 GLN 128.A OE1 no hydrogen 3.149 N/A PHE 132.A N GLN 128.A O no hydrogen 2.920 N/A LEU 133.A N LYS 129.A O no hydrogen 3.069 N/A GLN 134.A N MET 130.A O no hydrogen 2.906 N/A PHE 135.A N ARG 131.A O no hydrogen 2.926 N/A PHE 136.A N PHE 132.A O no hydrogen 2.870 N/A LYS 137.A N LEU 133.A O no hydrogen 3.000 N/A LYS 137.A NZ LEU 133.A O no hydrogen 3.450 N/A ILE 138.A N PHE 135.A O no hydrogen 3.224 N/A PHE 139.A N PHE 136.A O no hydrogen 3.228 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 2.986 N/A ILE 143.A N HIS 140.A O no hydrogen 2.973 N/A ARG 144.A N HIS 140.A O no hydrogen 2.982 N/A SER 145.A N GLU 141.A O no hydrogen 3.278 N/A SER 145.A OG GLU 141.A O no hydrogen 2.746 N/A ASN 146.A N ILE 143.A O no hydrogen 3.158 N/A ASN 146.A ND2 TYR 188.A OH no hydrogen 3.022 N/A VAL 149.A N ASN 146.A OD1 no hydrogen 3.008 N/A ILE 150.A N ASN 146.A O no hydrogen 3.006 N/A SER 151.A N ASP 147.A O no hydrogen 2.905 N/A SER 151.A OG ASP 147.A O no hydrogen 2.754 N/A MET 152.A N LEU 148.A O no hydrogen 2.986 N/A ILE 153.A N VAL 149.A O no hydrogen 2.929 N/A MET 154.A N ILE 150.A O no hydrogen 2.950 N/A LEU 155.A N SER 151.A O no hydrogen 3.017 N/A ILE 156.A N MET 152.A O no hydrogen 2.860 N/A VAL 157.A N ILE 153.A O no hydrogen 3.032 N/A LEU 158.A N MET 154.A O no hydrogen 2.886 N/A PHE 159.A N LEU 155.A O no hydrogen 2.915 N/A SER 160.A OG VAL 157.A O no hydrogen 2.658 N/A ARG 162.A NH2 GLU 84.A OE2 no hydrogen 2.794 N/A ILE 165.A N ARG 162.A O no hydrogen 3.083 N/A GLU 169.A N ASP 167.A OD2 no hydrogen 2.900 N/A ASP 170.A N ASP 167.A OD2 no hydrogen 3.137 N/A ARG 171.A N ASP 167.A O no hydrogen 3.028 N/A ARG 171.A NH1 ARG 162.A O no hydrogen 2.888 N/A ARG 171.A NH1 ILE 165.A O no hydrogen 2.772 N/A ARG 172.A N PRO 168.A O no hydrogen 3.007 N/A ARG 172.A NE GLU 169.A OE1 no hydrogen 2.817 N/A ARG 172.A NH2 GLU 169.A OE2 no hydrogen 2.866 N/A ILE 173.A N GLU 169.A O no hydrogen 2.941 N/A ILE 174.A N ASP 170.A O no hydrogen 2.934 N/A ALA 175.A N ARG 171.A O no hydrogen 2.991 N/A ARG 176.A N ARG 172.A O no hydrogen 2.940 N/A ARG 176.A NE GLU 179.A OE2 no hydrogen 2.853 N/A ARG 176.A NH2 GLU 179.A OE1 no hydrogen 2.869 N/A ARG 176.A NH2 GLU 179.A OE2 no hydrogen 3.513 N/A HIS 177.A N ILE 173.A O no hydrogen 2.971 N/A HIS 177.A ND1 ILE 173.A O no hydrogen 2.974 N/A HIS 178.A N ILE 174.A O no hydrogen 2.889 N/A GLU 179.A N ALA 175.A O no hydrogen 3.153 N/A GLN 180.A N ARG 176.A O no hydrogen 2.862 N/A PHE 181.A N HIS 177.A O no hydrogen 2.851 N/A SER 182.A N HIS 178.A O no hydrogen 3.105 N/A SER 182.A OG HIS 178.A O no hydrogen 2.889 N/A ALA 183.A N GLU 179.A O no hydrogen 2.925 N/A LEU 184.A N GLN 180.A O no hydrogen 2.821 N/A LEU 185.A N PHE 181.A O no hydrogen 2.954 N/A ASN 186.A N SER 182.A O no hydrogen 3.151 N/A ARG 187.A N ALA 183.A O no hydrogen 2.917 N/A ARG 187.A NE GLU 8.A OE2 no hydrogen 2.919 N/A ARG 187.A NH1 TYR 2.A O no hydrogen 3.246 N/A ARG 187.A NH1 GLN 3.A O no hydrogen 2.887 N/A ARG 187.A NH1 GLU 8.A OE1 no hydrogen 2.937 N/A ARG 187.A NH2 TYR 2.A O no hydrogen 2.943 N/A ARG 187.A NH2 GLU 190.A OE1 no hydrogen 3.010 N/A TYR 188.A N LEU 184.A O no hydrogen 2.864 N/A LEU 189.A N LEU 185.A O no hydrogen 2.997 N/A GLU 190.A N ASN 186.A O no hydrogen 2.827 N/A SER 191.A N ARG 187.A O no hydrogen 2.875 N/A SER 191.A OG TYR 188.A O no hydrogen 2.705 N/A LEU 192.A N TYR 188.A O no hydrogen 3.250 N/A LEU 192.A N LEU 189.A O no hydrogen 3.192 N/A TYR 193.A N LEU 189.A O no hydrogen 2.828 N/A GLY 194.A N GLU 190.A O no hydrogen 2.823 N/A ALA 197.A N GLY 194.A O no hydrogen 2.928 N/A HIS 198.A N ASP 195.A O no hydrogen 2.977 N/A HIS 198.A NE2 GLU 190.A OE2 no hydrogen 2.657 N/A ASN 201.A N ALA 197.A O no hydrogen 3.192 N/A GLU 202.A N HIS 198.A O no hydrogen 2.947 N/A GLN 203.A N GLN 199.A O no hydrogen 3.109 N/A GLN 203.A N LEU 200.A O no hydrogen 3.168 N/A GLN 203.A NE2 GLN 199.A OE1 no hydrogen 3.039 N/A LEU 204.A N ASN 201.A O no hydrogen 3.193 N/A ALA 207.A N GLN 203.A O no hydrogen 3.047 N/A LEU 208.A N LEU 204.A O no hydrogen 2.876 N/A ARG 209.A N PRO 205.A O no hydrogen 2.943 N/A MET 210.A N THR 206.A O no hydrogen 3.066 N/A LEU 211.A N ALA 207.A O no hydrogen 2.939 N/A ARG 212.A N LEU 208.A O no hydrogen 2.853 N/A ARG 212.A NH1 SER 160.A OG no hydrogen 2.944 N/A ARG 212.A NH2 SER 160.A OG no hydrogen 2.845 N/A GLU 213.A N ARG 209.A O no hydrogen 3.064 N/A ILE 214.A N MET 210.A O no hydrogen 3.006 N/A SER 215.A N LEU 211.A O no hydrogen 3.065 N/A SER 215.A OG LEU 211.A O no hydrogen 2.877 N/A ALA 216.A N ARG 212.A O no hydrogen 2.974 N/A SER 217.A N GLU 213.A O no hydrogen 3.188 N/A SER 217.A OG GLN 128.A OE1 no hydrogen 3.071 N/A SER 217.A OG GLU 213.A O no hydrogen 2.692 N/A SER 217.A OG ILE 214.A O no hydrogen 3.084 N/A SER 218.A N SER 215.A O no hydrogen 3.184 N/A SER 218.A OG ILE 214.A O no hydrogen 2.698 N/A LEU 221.A N SER 218.A O no hydrogen 3.087 N/A LEU 223.A N MET 220.A O no hydrogen 3.078 N/A GLY 224.A N VAL 241.A O no hydrogen 3.262 N/A THR 225.A N PHE 222.A O no hydrogen 2.985 N/A THR 225.A OG1 PHE 222.A O no hydrogen 2.819 N/A SER 229.A N ASN 227.A OD1 no hydrogen 2.993 N/A SER 229.A OG ASN 227.A OD1 no hydrogen 2.533 N/A GLU 230.A N ASN 227.A O no hydrogen 2.930 N/A ALA 231.A N THR 228.A O no hydrogen 3.419 N/A ARG 236.A NE ALA 231.A O no hydrogen 2.964 N/A ARG 236.A NH2 ALA 231.A O no hydrogen 2.974 N/A GLU 237.A N LEU 234.A O no hydrogen 2.974 N/A PHE 238.A N PRO 235.A O no hydrogen 2.958 N/A PHE 239.A N PRO 235.A O no hydrogen 2.961 N/A LYS 240.A N GLY 219.A O no hydrogen 2.993 N/A LYS 240.A NZ GLU 242.A OXT no hydrogen 2.854 N/A