Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1e3s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 222.A OE2 no hydrogen 3.302 N/A LYS 3.A N SER 1.A OG no hydrogen 3.218 N/A GLY 4.A N GLY 28.A O no hydrogen 2.992 N/A LEU 5.A N VAL 2.A O no hydrogen 3.036 N/A VAL 6.A N ASP 80.A OD2 no hydrogen 2.845 N/A ALA 7.A N THR 30.A O no hydrogen 2.936 N/A VAL 8.A N VAL 81.A O no hydrogen 2.892 N/A ILE 9.A N VAL 32.A O no hydrogen 2.957 N/A THR 10.A N VAL 83.A O no hydrogen 2.929 N/A GLY 11.A N LEU 34.A O no hydrogen 2.875 N/A ALA 13.A N ASP 35.A OD2 no hydrogen 3.226 N/A LEU 18.A N SER 14.A O no hydrogen 3.074 N/A SER 19.A N GLY 15.A O no hydrogen 3.101 N/A THR 20.A N LEU 16.A O no hydrogen 3.066 N/A THR 20.A OG1 LEU 16.A O no hydrogen 2.865 N/A ALA 21.A N GLY 17.A O no hydrogen 3.131 N/A LYS 22.A N LEU 18.A O no hydrogen 2.974 N/A ARG 23.A N SER 19.A O no hydrogen 3.164 N/A ARG 23.A NE GLN 218.A OE1 no hydrogen 3.256 N/A LEU 24.A N THR 20.A O no hydrogen 3.052 N/A VAL 25.A N ALA 21.A O no hydrogen 2.991 N/A GLY 26.A N LYS 22.A O no hydrogen 3.025 N/A GLN 27.A N ARG 23.A O no hydrogen 3.065 N/A GLN 27.A N LEU 24.A O no hydrogen 3.086 N/A GLY 28.A N VAL 25.A O no hydrogen 2.943 N/A ALA 29.A N LEU 24.A O no hydrogen 2.947 N/A THR 30.A N LEU 5.A O no hydrogen 2.972 N/A THR 30.A OG1 LEU 5.A O no hydrogen 3.487 N/A ALA 31.A N ASN 51.A O no hydrogen 3.009 N/A VAL 32.A N ALA 7.A O no hydrogen 2.881 N/A LEU 33.A N ILE 53.A O no hydrogen 2.881 N/A LEU 34.A N ILE 9.A O no hydrogen 2.989 N/A VAL 36.A N ASP 35.A OD1 no hydrogen 2.891 N/A SER 39.A N VAL 36.A O no hydrogen 3.044 N/A SER 39.A OG VAL 36.A O no hydrogen 2.668 N/A GLY 41.A N SER 39.A OG no hydrogen 3.262 N/A GLU 44.A N GLU 40.A O no hydrogen 3.166 N/A ALA 45.A N GLY 41.A O no hydrogen 3.005 N/A LYS 46.A N GLU 42.A O no hydrogen 3.156 N/A LYS 47.A N THR 43.A O no hydrogen 3.031 N/A LEU 48.A N GLU 44.A O no hydrogen 3.147 N/A GLY 49.A N LYS 46.A O no hydrogen 3.169 N/A CYS 52.A N GLY 49.A O no hydrogen 3.310 N/A CYS 52.A SG ALA 31.A O no hydrogen 3.832 N/A ILE 53.A N ALA 31.A O no hydrogen 3.148 N/A ALA 55.A N LEU 33.A O no hydrogen 2.963 N/A ALA 57.A N ASP 35.A O no hydrogen 2.891 N/A ASN 58.A N GLU 64.A OE1 no hydrogen 2.881 N/A THR 60.A N ASN 58.A OD1 no hydrogen 3.006 N/A THR 60.A OG1 ASN 58.A OD1 no hydrogen 2.817 N/A SER 61.A N ASN 58.A O no hydrogen 3.067 N/A GLU 64.A N SER 61.A OG no hydrogen 3.126 N/A VAL 65.A N SER 61.A O no hydrogen 3.173 N/A GLN 66.A N GLU 62.A O no hydrogen 3.017 N/A ALA 67.A N LYS 63.A O no hydrogen 3.135 N/A ALA 68.A N GLU 64.A O no hydrogen 3.061 N/A LEU 69.A N VAL 65.A O no hydrogen 3.069 N/A THR 70.A N GLN 66.A O no hydrogen 3.021 N/A THR 70.A OG1 GLN 66.A O no hydrogen 3.094 N/A LEU 71.A N ALA 67.A O no hydrogen 3.040 N/A ALA 72.A N ALA 68.A O no hydrogen 3.164 N/A LYS 73.A N LEU 69.A O no hydrogen 3.134 N/A GLU 74.A N THR 70.A O no hydrogen 2.961 N/A LYS 75.A N LEU 71.A O no hydrogen 2.912 N/A PHE 76.A N ALA 72.A O no hydrogen 2.900 N/A GLY 77.A N LYS 73.A O no hydrogen 2.821 N/A ARG 78.A NH1 GLY 4.A O no hydrogen 2.686 N/A ASP 80.A N VAL 6.A O no hydrogen 2.861 N/A VAL 81.A N VAL 6.A O no hydrogen 3.002 N/A ALA 82.A N VAL 143.A O no hydrogen 3.136 N/A VAL 83.A N VAL 8.A O no hydrogen 2.899 N/A ASN 84.A N ILE 145.A O no hydrogen 2.905 N/A ASN 84.A ND2 ASN 146.A OD1 no hydrogen 2.970 N/A CYS 85.A N THR 10.A O no hydrogen 3.199 N/A CYS 85.A N THR 10.A OG1 no hydrogen 3.135 N/A CYS 85.A SG THR 147.A OG1 no hydrogen 3.760 N/A CYS 85.A SG TYR 213.A OH no hydrogen 3.513 N/A ALA 86.A N THR 10.A OG1 no hydrogen 3.071 N/A ILE 88.A N ASN 115.A OD1 no hydrogen 3.005 N/A ILE 92.A N GLY 158.A O no hydrogen 3.033 N/A HIS 96.A N GLN 101.A O no hydrogen 2.992 N/A ASN 100.A N GLU 97.A O no hydrogen 2.645 N/A GLN 101.A N HIS 96.A O no hydrogen 3.142 N/A HIS 103.A N THR 94.A O no hydrogen 3.197 N/A HIS 103.A ND1 THR 104.A O no hydrogen 2.903 N/A ASP 107.A N THR 104.A OG1 no hydrogen 3.065 N/A GLN 109.A N LEU 105.A O no hydrogen 3.011 N/A ARG 110.A N GLU 106.A O no hydrogen 3.065 N/A VAL 111.A N ASP 107.A O no hydrogen 3.487 N/A ILE 112.A N PHE 108.A O no hydrogen 3.175 N/A ASN 113.A N GLN 109.A O no hydrogen 2.976 N/A VAL 114.A N ARG 110.A O no hydrogen 3.192 N/A ASN 115.A N VAL 111.A O no hydrogen 3.067 N/A ASN 115.A ND2 ILE 88.A O no hydrogen 3.075 N/A ASN 115.A ND2 SER 165.A OG no hydrogen 3.137 N/A LEU 116.A N ILE 112.A O no hydrogen 3.071 N/A ILE 117.A N ILE 112.A O no hydrogen 3.066 N/A GLY 118.A N ASN 113.A O no hydrogen 2.975 N/A THR 119.A OG1 ASN 115.A O no hydrogen 3.158 N/A PHE 120.A N LEU 116.A O no hydrogen 3.138 N/A ASN 121.A N ILE 117.A O no hydrogen 2.982 N/A ASN 121.A ND2 VAL 59.A O no hydrogen 3.261 N/A VAL 122.A N GLY 118.A O no hydrogen 3.142 N/A ILE 123.A N THR 119.A O no hydrogen 3.067 N/A ARG 124.A N PHE 120.A O no hydrogen 2.901 N/A ARG 124.A NE ASN 121.A OD1 no hydrogen 2.768 N/A ARG 124.A NH2 GLU 62.A OE2 no hydrogen 3.005 N/A ARG 124.A NH2 ASN 121.A OD1 no hydrogen 2.782 N/A LEU 125.A N ASN 121.A O no hydrogen 3.351 N/A VAL 126.A N VAL 122.A O no hydrogen 2.969 N/A ALA 127.A N ILE 123.A O no hydrogen 3.056 N/A MET 130.A N VAL 126.A O no hydrogen 2.953 N/A GLY 131.A N ALA 127.A O no hydrogen 2.987 N/A GLN 132.A N VAL 129.A O no hydrogen 3.112 N/A ASN 133.A N MET 130.A O no hydrogen 2.916 N/A ASN 133.A ND2 ILE 79.A O no hydrogen 3.051 N/A ASN 133.A ND2 ARG 141.A O no hydrogen 3.020 N/A ASP 136.A N GLN 140.A O no hydrogen 3.059 N/A GLY 138.A N ASP 136.A OD1 no hydrogen 2.843 N/A GLY 139.A N ASP 136.A O no hydrogen 3.152 N/A GLN 140.A N ASP 136.A OD1 no hydrogen 2.965 N/A ARG 141.A N GLY 184.A O no hydrogen 2.804 N/A ARG 141.A NE ASN 133.A O no hydrogen 2.798 N/A ARG 141.A NH1 ILE 183.A O no hydrogen 3.091 N/A GLY 142.A N GLY 184.A O no hydrogen 3.364 N/A VAL 143.A N ASP 80.A O no hydrogen 3.269 N/A ILE 144.A N ARG 186.A O no hydrogen 2.876 N/A ILE 145.A N ALA 82.A O no hydrogen 2.960 N/A ASN 146.A N VAL 188.A O no hydrogen 2.901 N/A ASN 146.A ND2 THR 189.A OG1 no hydrogen 3.242 N/A THR 147.A OG1 ASN 84.A O no hydrogen 2.797 N/A THR 147.A OG1 TYR 213.A OH no hydrogen 2.691 N/A ALA 148.A N ILE 190.A O no hydrogen 2.824 N/A VAL 150.A N PRO 192.A O no hydrogen 3.106 N/A ALA 151.A N SER 149.A OG no hydrogen 2.899 N/A ALA 152.A N SER 149.A O no hydrogen 3.153 N/A PHE 153.A N VAL 150.A O no hydrogen 2.982 N/A GLU 154.A N VAL 150.A O no hydrogen 2.978 N/A GLN 156.A N GLN 159.A OE1 no hydrogen 2.908 N/A GLN 156.A NE2 GLN 240.A O no hydrogen 2.690 N/A VAL 157.A N PRO 241.A OXT no hydrogen 3.062 N/A GLN 159.A N GLN 156.A O no hydrogen 3.024 N/A SER 163.A N GLN 159.A O no hydrogen 2.864 N/A SER 163.A OG ALA 151.A O no hydrogen 2.820 N/A SER 163.A OG GLN 159.A O no hydrogen 3.141 N/A ALA 164.A N ALA 160.A O no hydrogen 3.038 N/A SER 165.A N ALA 161.A O no hydrogen 3.063 N/A SER 165.A OG TYR 162.A O no hydrogen 2.866 N/A LYS 166.A N TYR 162.A O no hydrogen 2.986 N/A LYS 166.A NZ THR 147.A O no hydrogen 3.063 N/A LYS 166.A NZ ALA 148.A O no hydrogen 3.569 N/A GLY 167.A N SER 163.A O no hydrogen 2.811 N/A GLY 168.A N ALA 164.A O no hydrogen 3.071 N/A ILE 169.A N SER 165.A O no hydrogen 3.352 N/A VAL 170.A N LYS 166.A O no hydrogen 3.133 N/A GLY 171.A N GLY 167.A O no hydrogen 2.963 N/A MET 172.A N GLY 168.A O no hydrogen 3.059 N/A THR 173.A N VAL 170.A O no hydrogen 3.142 N/A THR 173.A OG1 ILE 169.A O no hydrogen 2.851 N/A THR 173.A OG1 VAL 170.A O no hydrogen 3.551 N/A THR 173.A OG1 THR 189.A OG1 no hydrogen 2.732 N/A ILE 176.A N MET 172.A O no hydrogen 3.218 N/A ALA 177.A N THR 173.A O no hydrogen 3.118 N/A ARG 178.A N LEU 174.A O no hydrogen 2.909 N/A ASP 179.A N PRO 175.A O no hydrogen 2.852 N/A LEU 180.A N ILE 176.A O no hydrogen 2.977 N/A ILE 183.A N LEU 180.A O no hydrogen 3.147 N/A GLY 184.A N ALA 181.A O no hydrogen 3.008 N/A ILE 185.A N LEU 180.A O no hydrogen 3.521 N/A ARG 186.A N GLY 142.A O no hydrogen 3.175 N/A ARG 186.A NE GLN 140.A OE1 no hydrogen 2.938 N/A ARG 186.A NH1 VAL 220.A O no hydrogen 3.131 N/A ARG 186.A NH1 LEU 226.A O no hydrogen 2.917 N/A ARG 186.A NH2 VAL 220.A O no hydrogen 3.076 N/A VAL 187.A N ASN 227.A OD1 no hydrogen 2.924 N/A VAL 188.A N ILE 144.A O no hydrogen 3.000 N/A THR 189.A N GLU 229.A O no hydrogen 3.056 N/A THR 189.A OG1 THR 173.A OG1 no hydrogen 2.732 N/A ILE 190.A N ASN 146.A O no hydrogen 2.955 N/A ALA 191.A N ILE 231.A O no hydrogen 2.798 N/A GLY 193.A N LEU 233.A O no hydrogen 3.065 N/A ALA 196.A N GLY 208.A O no hydrogen 2.979 N/A THR 197.A N PHE 195.A O no hydrogen 2.913 N/A PHE 203.A N GLY 235.A O no hydrogen 3.320 N/A SER 205.A OG VAL 201.A O no hydrogen 3.116 N/A ARG 206.A N PRO 204.A O no hydrogen 3.015 N/A ARG 206.A NH1 LEU 207.A O no hydrogen 3.180 N/A ARG 206.A NH1 GLU 212.A OE1 no hydrogen 3.042 N/A ARG 206.A NH2 GLU 212.A OE2 no hydrogen 2.897 N/A GLY 208.A N LEU 194.A O no hydrogen 2.828 N/A ASP 209.A N GLU 212.A OE1 no hydrogen 2.882 N/A ALA 211.A N ASP 209.A OD1 no hydrogen 2.957 N/A GLU 212.A N ASP 209.A O no hydrogen 2.704 N/A TYR 213.A OH THR 147.A OG1 no hydrogen 2.691 N/A ALA 214.A N PRO 210.A O no hydrogen 3.185 N/A HIS 215.A N ALA 211.A O no hydrogen 3.122 N/A LEU 216.A N GLU 212.A O no hydrogen 3.234 N/A VAL 217.A N TYR 213.A O no hydrogen 3.003 N/A GLN 218.A N ALA 214.A O no hydrogen 3.184 N/A GLN 218.A NE2 GLU 222.A OE2 no hydrogen 2.772 N/A MET 219.A N HIS 215.A O no hydrogen 3.119 N/A VAL 220.A N LEU 216.A O no hydrogen 3.119 N/A ILE 221.A N VAL 217.A O no hydrogen 3.087 N/A GLU 222.A N GLN 218.A O no hydrogen 3.032 N/A ASN 223.A N MET 219.A O no hydrogen 3.041 N/A PHE 225.A N ASN 223.A OD1 no hydrogen 3.005 N/A GLY 228.A N VAL 187.A O no hydrogen 2.892 N/A VAL 230.A N GLU 229.A OE1 no hydrogen 2.991 N/A ILE 231.A N THR 189.A O no hydrogen 3.029 N/A ARG 232.A NE ASP 234.A OD2 no hydrogen 2.911 N/A ARG 232.A NH1 GLU 154.A OE2 no hydrogen 2.797 N/A ARG 232.A NH2 GLU 154.A OE1 no hydrogen 2.922 N/A ARG 232.A NH2 GLU 154.A OE2 no hydrogen 3.378 N/A ARG 232.A NH2 ASP 234.A OD2 no hydrogen 3.269 N/A ARG 232.A NH2 ILE 237.A O no hydrogen 3.313 N/A LEU 233.A N ALA 191.A O no hydrogen 3.061 N/A ALA 236.A N ASP 234.A OD1 no hydrogen 3.053 N/A ILE 237.A N ASP 234.A O no hydrogen 3.302 N/A ARG 238.A NH1 ILE 237.A O no hydrogen 2.965 N/A MET 239.A N GLU 154.A OE1 no hydrogen 3.268 N/A GLN 240.A NE2 ARG 238.A O no hydrogen 2.681 N/A