Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1r3d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N THR 67.A OG1 no hydrogen 3.029 N/A ASN 5.A ND2 LEU 3.A O no hydrogen 2.763 N/A GLN 6.A N THR 48.A O no hydrogen 2.912 N/A HIS 8.A N ALA 46.A O no hydrogen 2.683 N/A HIS 8.A NE2 THR 48.A OG1 no hydrogen 2.994 N/A ALA 10.A N HIS 8.A O no hydrogen 3.012 N/A THR 13.A N THR 16.A O no hydrogen 3.040 N/A ARG 15.A N THR 13.A OG1 no hydrogen 3.018 N/A THR 16.A N THR 13.A O no hydrogen 3.135 N/A LEU 18.A N PRO 77.A O no hydrogen 2.977 N/A VAL 19.A N ALA 45.A O no hydrogen 2.825 N/A VAL 20.A N ILE 79.A O no hydrogen 2.828 N/A LEU 21.A N LEU 47.A O no hydrogen 2.855 N/A VAL 22.A N VAL 81.A O no hydrogen 2.855 N/A LEU 26.A N HIS 54.A NE2 no hydrogen 2.963 N/A GLY 27.A N GLY 24.A O no hydrogen 3.029 N/A SER 28.A N ASP 31.A OD1 no hydrogen 3.066 N/A GLY 29.A N ASP 50.A OD1 no hydrogen 2.794 N/A ALA 30.A N SER 28.A OG no hydrogen 3.281 N/A ASP 31.A N SER 28.A O no hydrogen 2.894 N/A TRP 32.A N GLY 29.A O no hydrogen 3.173 N/A GLN 33.A N ALA 30.A O no hydrogen 3.188 N/A LEU 36.A N TRP 32.A O no hydrogen 2.914 N/A SER 37.A N GLN 33.A O no hydrogen 2.901 N/A SER 37.A OG GLN 33.A O no hydrogen 3.402 N/A LEU 39.A N VAL 35.A O no hydrogen 2.853 N/A ALA 40.A N LEU 36.A O no hydrogen 2.980 N/A THR 42.A N LEU 39.A O no hydrogen 2.867 N/A THR 42.A OG1 GLN 246.A OE1 no hydrogen 2.793 N/A GLN 43.A NE2 ARG 15.A O no hydrogen 3.058 N/A CYS 44.A SG THR 42.A O no hydrogen 3.559 N/A ALA 45.A N PRO 17.A O no hydrogen 2.861 N/A ALA 46.A N HIS 8.A O no hydrogen 3.138 N/A LEU 47.A N VAL 19.A O no hydrogen 2.802 N/A THR 48.A N GLN 6.A O no hydrogen 2.905 N/A THR 48.A OG1 GLN 6.A O no hydrogen 3.529 N/A THR 48.A OG1 HIS 8.A NE2 no hydrogen 2.994 N/A ASP 50.A N SER 4.A O no hydrogen 2.857 N/A HIS 54.A N LEU 51.A O no hydrogen 3.040 N/A HIS 54.A ND1 PRO 52.A O no hydrogen 2.867 N/A ASN 57.A ND2 ASP 50.A OD2 no hydrogen 2.889 N/A GLU 63.A N ALA 59.A O no hydrogen 2.879 N/A GLU 65.A N VAL 62.A O no hydrogen 2.963 N/A GLN 66.A N GLU 63.A O no hydrogen 2.881 N/A VAL 68.A N ILE 64.A O no hydrogen 2.984 N/A GLN 69.A N GLU 65.A O no hydrogen 2.833 N/A ALA 70.A N GLN 66.A O no hydrogen 3.000 N/A HIS 71.A N VAL 68.A O no hydrogen 2.906 N/A VAL 72.A N GLN 69.A O no hydrogen 3.335 N/A GLU 75.A N THR 73.A OG1 no hydrogen 3.311 N/A VAL 76.A N THR 73.A O no hydrogen 3.090 N/A VAL 78.A N ASN 102.A O no hydrogen 2.952 N/A ILE 79.A N LEU 18.A O no hydrogen 2.917 N/A LEU 80.A N GLY 105.A O no hydrogen 3.038 N/A VAL 81.A N VAL 20.A O no hydrogen 2.778 N/A GLY 82.A N ILE 107.A O no hydrogen 2.973 N/A TYR 83.A N VAL 22.A O no hydrogen 2.954 N/A SER 84.A N GLU 109.A O no hydrogen 2.752 N/A SER 84.A OG HIS 231.A NE2 no hydrogen 2.918 N/A GLY 86.A N TYR 83.A O no hydrogen 2.822 N/A ARG 88.A N SER 84.A O no hydrogen 2.988 N/A ARG 88.A NH1 THR 182.A O no hydrogen 2.989 N/A ARG 88.A NH1 GLN 187.A OE1 no hydrogen 2.760 N/A ARG 88.A NH2 THR 182.A O no hydrogen 2.795 N/A LEU 89.A N LEU 85.A O no hydrogen 2.803 N/A ILE 90.A N GLY 86.A O no hydrogen 3.064 N/A GLY 92.A N LEU 89.A O no hydrogen 3.031 N/A LEU 93.A N ILE 90.A O no hydrogen 2.922 N/A GLN 95.A N HIS 91.A O no hydrogen 2.919 N/A GLY 96.A N LEU 93.A O no hydrogen 3.299 N/A ALA 97.A N GLY 92.A O no hydrogen 2.824 N/A SER 99.A OG GLY 96.A O no hydrogen 3.555 N/A ARG 100.A NE GLN 69.A OE1 no hydrogen 3.363 N/A LEU 101.A N PHE 98.A O no hydrogen 2.946 N/A ARG 104.A N VAL 78.A O no hydrogen 2.777 N/A ALA 106.A N PRO 200.A O no hydrogen 2.998 N/A ILE 107.A N LEU 80.A O no hydrogen 2.817 N/A ILE 108.A N HIS 202.A O no hydrogen 2.849 N/A GLU 109.A N GLY 82.A O no hydrogen 2.840 N/A GLY 110.A N VAL 204.A O no hydrogen 3.180 N/A GLY 114.A N HIS 112.A ND1 no hydrogen 2.943 N/A GLN 116.A N GLU 117.A OE1 no hydrogen 3.289 N/A GLU 120.A N GLU 117.A O no hydrogen 2.925 N/A LYS 121.A N GLU 117.A O no hydrogen 3.108 N/A LYS 121.A NZ LEU 115.A O no hydrogen 3.322 N/A ALA 122.A N ASN 118.A O no hydrogen 2.961 N/A ALA 123.A N GLU 119.A O no hydrogen 3.199 N/A ARG 124.A N GLU 120.A O no hydrogen 2.818 N/A ARG 124.A NE ASP 128.A OD2 no hydrogen 3.283 N/A TRP 125.A N LYS 121.A O no hydrogen 2.923 N/A GLN 126.A N ALA 122.A O no hydrogen 3.238 N/A HIS 127.A N ALA 123.A O no hydrogen 3.071 N/A ASP 128.A N ARG 124.A O no hydrogen 2.835 N/A GLN 129.A N TRP 125.A O no hydrogen 2.859 N/A GLN 129.A NE2 TRP 125.A O no hydrogen 3.207 N/A GLN 130.A N GLN 126.A O no hydrogen 2.882 N/A TRP 131.A N HIS 127.A O no hydrogen 3.051 N/A ALA 132.A N ASP 128.A O no hydrogen 2.829 N/A GLN 133.A N GLN 129.A O no hydrogen 2.900 N/A ARG 134.A N GLN 130.A O no hydrogen 3.214 N/A ARG 134.A NH1 ASP 146.A OD2 no hydrogen 3.075 N/A ARG 134.A NH2 ASP 146.A OD2 no hydrogen 2.960 N/A PHE 135.A N TRP 131.A O no hydrogen 2.861 N/A SER 136.A N ALA 132.A O no hydrogen 2.845 N/A SER 136.A OG ALA 132.A O no hydrogen 2.822 N/A GLN 137.A N GLN 133.A O no hydrogen 3.119 N/A GLN 138.A N ARG 134.A O no hydrogen 2.911 N/A GLU 141.A N GLU 141.A OE1 no hydrogen 2.802 N/A VAL 143.A N PRO 139.A O no hydrogen 3.240 N/A LEU 144.A N ILE 140.A O no hydrogen 2.816 N/A SER 145.A N GLU 141.A O no hydrogen 2.933 N/A TRP 147.A N VAL 143.A O no hydrogen 2.836 N/A TYR 148.A N LEU 144.A O no hydrogen 2.971 N/A GLN 149.A N ASP 146.A O no hydrogen 2.981 N/A GLN 150.A N TRP 147.A O no hydrogen 3.160 N/A GLN 150.A NE2 TRP 147.A O no hydrogen 3.089 N/A PHE 153.A N GLN 150.A O no hydrogen 3.002 N/A SER 154.A N ALA 151.A O no hydrogen 2.894 N/A SER 154.A OG ALA 151.A O no hydrogen 3.240 N/A SER 155.A OG GLU 236.A OE1 no hydrogen 2.563 N/A SER 155.A OG GLU 236.A OE2 no hydrogen 3.145 N/A LEU 156.A N PHE 153.A O no hydrogen 3.034 N/A ASN 157.A N GLN 160.A OE1 no hydrogen 2.975 N/A GLN 160.A N ASN 157.A OD1 no hydrogen 2.724 N/A ARG 161.A N ASN 157.A O no hydrogen 3.024 N/A ARG 161.A NE LEU 156.A O no hydrogen 3.186 N/A ARG 161.A NH1 TYR 148.A O no hydrogen 2.622 N/A ARG 161.A NH2 LEU 156.A O no hydrogen 2.896 N/A GLN 162.A N HIS 158.A O no hydrogen 2.876 N/A THR 163.A N GLU 159.A O no hydrogen 3.061 N/A THR 163.A OG1 GLU 159.A O no hydrogen 2.890 N/A LEU 164.A N GLN 160.A O no hydrogen 3.131 N/A ILE 165.A N ARG 161.A O no hydrogen 2.840 N/A ALA 166.A N GLN 162.A O no hydrogen 3.068 N/A GLN 167.A N THR 163.A O no hydrogen 2.951 N/A ARG 168.A N LEU 164.A O no hydrogen 2.825 N/A ARG 168.A NE TYR 148.A OH no hydrogen 3.073 N/A ARG 168.A NH1 ASP 31.A OD2 no hydrogen 2.841 N/A ARG 168.A NH2 ASP 31.A OD1 no hydrogen 2.925 N/A ARG 168.A NH2 ASP 31.A OD2 no hydrogen 3.466 N/A SER 169.A N ALA 166.A O no hydrogen 3.321 N/A SER 169.A OG ALA 166.A O no hydrogen 2.622 N/A ASN 171.A N ARG 168.A O no hydrogen 3.097 N/A ASN 171.A ND2 LEU 26.A O no hydrogen 2.808 N/A ASN 171.A ND2 ARG 168.A O no hydrogen 2.945 N/A VAL 176.A N LEU 172.A O no hydrogen 3.144 N/A ALA 177.A N GLY 173.A O no hydrogen 2.980 N/A HIS 178.A N SER 174.A O no hydrogen 3.110 N/A LEU 180.A N ALA 177.A O no hydrogen 3.074 N/A ALA 181.A N HIS 178.A O no hydrogen 2.838 N/A SER 183.A N LEU 180.A O no hydrogen 3.103 N/A SER 183.A OG ASP 128.A OD2 no hydrogen 2.643 N/A ALA 185.A N SER 183.A OG no hydrogen 3.104 N/A LYS 186.A N SER 183.A O no hydrogen 3.032 N/A LYS 186.A NZ LEU 180.A O no hydrogen 3.036 N/A GLN 187.A N LEU 184.A O no hydrogen 2.995 N/A GLN 187.A NE2 HIS 112.A O no hydrogen 2.860 N/A LEU 190.A N PHE 113.A O no hydrogen 2.836 N/A LEU 194.A N LEU 190.A O no hydrogen 3.082 N/A GLN 195.A N LEU 191.A O no hydrogen 2.866 N/A ALA 196.A N PRO 192.A O no hydrogen 3.265 N/A ALA 196.A N ALA 193.A O no hydrogen 3.267 N/A LEU 197.A N LEU 194.A O no hydrogen 3.092 N/A HIS 202.A N ALA 106.A O no hydrogen 2.822 N/A HIS 202.A ND1 SER 222.A OG no hydrogen 2.619 N/A HIS 202.A NE2 SER 224.A OG no hydrogen 2.703 N/A TYR 203.A N SER 222.A O no hydrogen 2.908 N/A TYR 203.A OH GLY 111.A O no hydrogen 2.673 N/A VAL 204.A N ILE 108.A O no hydrogen 2.773 N/A CYS 205.A N SER 224.A O no hydrogen 2.963 N/A CYS 205.A SG SER 224.A O no hydrogen 3.671 N/A GLU 207.A N VAL 226.A O no hydrogen 2.881 N/A GLN 208.A N ALA 229.A O no hydrogen 2.900 N/A ASP 209.A N GLY 206.A O no hydrogen 3.123 N/A PHE 212.A N ASP 209.A OD1 no hydrogen 3.314 N/A GLN 213.A N ASP 209.A O no hydrogen 2.924 N/A GLN 214.A N SER 210.A O no hydrogen 3.119 N/A LEU 215.A N LYS 211.A O no hydrogen 3.140 N/A ALA 216.A N PHE 212.A O no hydrogen 2.847 N/A GLU 217.A N GLN 213.A O no hydrogen 2.831 N/A SER 218.A N GLN 214.A O no hydrogen 2.975 N/A SER 218.A OG GLN 214.A O no hydrogen 2.732 N/A SER 218.A OG LEU 215.A O no hydrogen 3.396 N/A SER 219.A N ALA 216.A O no hydrogen 3.222 N/A SER 219.A OG ALA 216.A O no hydrogen 2.753 N/A LEU 221.A N SER 219.A OG no hydrogen 3.087 N/A SER 222.A OG HIS 202.A ND1 no hydrogen 2.619 N/A SER 224.A N TYR 203.A O no hydrogen 2.767 N/A SER 224.A OG HIS 202.A NE2 no hydrogen 2.703 N/A VAL 226.A N CYS 205.A O no hydrogen 2.854 N/A GLN 228.A N GLU 207.A OE2 no hydrogen 3.271 N/A GLY 230.A N GLU 236.A OE2 no hydrogen 2.698 N/A HIS 231.A N VAL 152.A O no hydrogen 3.225 N/A HIS 231.A ND1 ASP 209.A OD2 no hydrogen 2.670 N/A HIS 231.A NE2 SER 84.A OG no hydrogen 2.918 N/A HIS 234.A N GLU 109.A OE2 no hydrogen 2.806 N/A HIS 234.A ND1 GLU 109.A OE1 no hydrogen 2.678 N/A HIS 235.A N ASN 232.A O no hydrogen 3.133 N/A GLU 236.A N ASN 232.A O no hydrogen 3.102 N/A GLN 237.A N VAL 233.A O no hydrogen 2.677 N/A GLN 237.A NE2 GLN 228.A O no hydrogen 2.619 N/A PHE 241.A N GLN 237.A O no hydrogen 3.024 N/A ALA 242.A N PRO 238.A O no hydrogen 2.958 N/A LYS 243.A N GLN 239.A O no hydrogen 2.984 N/A ILE 244.A N ALA 240.A O no hydrogen 3.220 N/A VAL 245.A N PHE 241.A O no hydrogen 3.055 N/A GLN 246.A N ALA 242.A O no hydrogen 2.813 N/A ALA 247.A N LYS 243.A O no hydrogen 2.963 N/A HIS 249.A N GLN 246.A O no hydrogen 2.743 N/A SER 250.A N ALA 247.A O no hydrogen 3.012 N/A ILE 251.A N ILE 248.A O no hydrogen 2.935 N/A ILE 252.A N ILE 248.A O no hydrogen 3.192 N/A