Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3d2i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ASP 6.A OD2 no hydrogen 3.353 N/A THR 3.A OG1 ASP 6.A OD2 no hydrogen 3.360 N/A ASP 6.A N THR 3.A O no hydrogen 2.918 N/A PHE 7.A N LEU 4.A O no hydrogen 2.904 N/A ASP 8.A N ARG 25.A O no hydrogen 2.774 N/A GLY 10.A N LEU 23.A O no hydrogen 2.626 N/A LEU 13.A N VAL 21.A O no hydrogen 2.670 N/A GLY 16.A N GLY 19.A O no hydrogen 2.880 N/A VAL 21.A N GLY 14.A O no hydrogen 3.065 N/A TYR 22.A N LEU 35.A O no hydrogen 2.857 N/A LEU 23.A N ARG 11.A O no hydrogen 2.853 N/A ALA 24.A N LEU 33.A O no hydrogen 2.795 N/A ARG 25.A N ASP 8.A O no hydrogen 2.978 N/A ARG 25.A NH2 ASP 8.A OD2 no hydrogen 3.193 N/A GLU 26.A N PHE 31.A O no hydrogen 2.880 N/A ARG 27.A N ASP 6.A O no hydrogen 2.849 N/A GLN 28.A N GLU 26.A OE2 no hydrogen 2.954 N/A SER 29.A N GLU 26.A OE1 no hydrogen 2.817 N/A SER 29.A OG GLU 26.A OE1 no hydrogen 2.737 N/A LYS 30.A N GLU 26.A O no hydrogen 2.763 N/A LEU 33.A N ALA 24.A O no hydrogen 2.865 N/A ALA 34.A N LEU 84.A O no hydrogen 2.937 N/A LEU 35.A N TYR 22.A O no hydrogen 2.772 N/A LYS 36.A N LEU 82.A O no hydrogen 3.233 N/A VAL 37.A N ASN 20.A O no hydrogen 2.727 N/A LEU 38.A N VAL 80.A O no hydrogen 2.667 N/A LYS 40.A N THR 78.A O no hydrogen 2.802 N/A LEU 43.A N PHE 39.A O no hydrogen 3.125 N/A GLU 44.A N LYS 40.A O no hydrogen 3.083 N/A LYS 45.A N THR 41.A O no hydrogen 3.124 N/A ALA 46.A N GLN 42.A O no hydrogen 3.403 N/A VAL 48.A N LEU 43.A O no hydrogen 3.166 N/A LEU 52.A N VAL 48.A O no hydrogen 3.146 N/A ARG 53.A N GLU 49.A O no hydrogen 3.341 N/A ARG 54.A N HIS 50.A O no hydrogen 2.861 N/A GLU 55.A N GLN 51.A O no hydrogen 2.783 N/A VAL 56.A N LEU 52.A O no hydrogen 3.087 N/A GLU 57.A N ARG 53.A O no hydrogen 3.269 N/A ILE 58.A N ARG 54.A O no hydrogen 2.872 N/A GLN 59.A N GLU 55.A O no hydrogen 2.872 N/A GLN 59.A NE2 LEU 68.A O no hydrogen 3.111 N/A SER 60.A N GLU 57.A O no hydrogen 3.308 N/A SER 60.A OG GLU 57.A O no hydrogen 2.625 N/A HIS 61.A N ILE 58.A O no hydrogen 3.480 N/A ARG 63.A N TYR 120.A OH no hydrogen 2.842 N/A ARG 63.A NH1 GLN 59.A O no hydrogen 3.229 N/A ARG 63.A NH1 SER 60.A O no hydrogen 3.425 N/A ARG 63.A NH1 LEU 62.A O no hydrogen 2.744 N/A ARG 63.A NH2 SER 60.A O no hydrogen 3.435 N/A ASN 66.A ND2 HIS 64.A NE2 no hydrogen 3.289 N/A ILE 67.A N HIS 64.A O no hydrogen 3.015 N/A LEU 68.A N ILE 146.A O no hydrogen 2.898 N/A ARG 69.A N GLU 85.A OE2 no hydrogen 3.182 N/A TYR 71.A N ILE 83.A O no hydrogen 2.848 N/A PHE 74.A N TYR 81.A O no hydrogen 3.071 N/A ASP 76.A N ARG 79.A O no hydrogen 3.442 N/A ALA 77.A N ASP 76.A OD1 no hydrogen 2.675 N/A THR 78.A N ASP 76.A OD1 no hydrogen 3.354 N/A ARG 79.A N ASP 76.A OD1 no hydrogen 3.232 N/A ARG 79.A NE TYR 81.A OH no hydrogen 2.975 N/A VAL 80.A N LEU 38.A O no hydrogen 2.535 N/A TYR 81.A N PHE 74.A O no hydrogen 2.759 N/A TYR 81.A OH ASP 76.A OD2 no hydrogen 3.197 N/A LEU 82.A N LYS 36.A O no hydrogen 2.984 N/A ILE 83.A N GLY 72.A O no hydrogen 2.995 N/A LEU 84.A N ALA 34.A O no hydrogen 2.827 N/A GLU 85.A N ARG 69.A O no hydrogen 3.029 N/A LEU 89.A N LEU 138.A O no hydrogen 3.033 N/A GLY 90.A N ALA 87.A O no hydrogen 3.118 N/A VAL 92.A N LEU 136.A O no hydrogen 2.815 N/A TYR 93.A N PRO 133.A O no hydrogen 3.192 N/A ARG 94.A N THR 91.A OG1 no hydrogen 2.918 N/A GLU 95.A N THR 91.A O no hydrogen 3.235 N/A LEU 96.A N VAL 92.A O no hydrogen 2.803 N/A GLN 97.A N TYR 93.A O no hydrogen 3.199 N/A LYS 98.A N ARG 94.A O no hydrogen 2.930 N/A LEU 99.A N GLU 95.A O no hydrogen 3.002 N/A ARG 101.A N LEU 99.A O no hydrogen 2.644 N/A ARG 101.A NE VAL 191.A O no hydrogen 3.181 N/A PHE 102.A N PHE 189.A O no hydrogen 2.684 N/A ARG 106.A N ASP 103.A OD1 no hydrogen 2.642 N/A ARG 106.A NH1 TYR 110.A OH no hydrogen 3.362 N/A THR 107.A N ASP 103.A O no hydrogen 3.006 N/A THR 107.A OG1 ASP 103.A O no hydrogen 2.748 N/A ALA 108.A N GLU 104.A O no hydrogen 3.009 N/A THR 109.A N GLN 105.A O no hydrogen 3.414 N/A THR 109.A OG1 GLN 105.A O no hydrogen 2.640 N/A TYR 110.A N ARG 106.A O no hydrogen 3.075 N/A TYR 110.A OH GLU 95.A OE1 no hydrogen 2.885 N/A ILE 111.A N THR 107.A O no hydrogen 2.926 N/A THR 112.A N ALA 108.A O no hydrogen 2.846 N/A THR 112.A OG1 ALA 108.A O no hydrogen 2.889 N/A THR 112.A OG1 SER 254.A OG no hydrogen 2.892 N/A GLU 113.A N THR 109.A O no hydrogen 2.908 N/A LEU 114.A N TYR 110.A O no hydrogen 2.857 N/A ALA 115.A N ILE 111.A O no hydrogen 2.853 N/A ASN 116.A N THR 112.A O no hydrogen 3.082 N/A ALA 117.A N GLU 113.A O no hydrogen 3.221 N/A LEU 118.A N LEU 114.A O no hydrogen 2.785 N/A SER 119.A N ALA 115.A O no hydrogen 2.688 N/A SER 119.A OG ALA 115.A O no hydrogen 3.102 N/A TYR 120.A N ASN 116.A O no hydrogen 3.006 N/A CYS 121.A N ALA 117.A O no hydrogen 3.069 N/A CYS 121.A SG ALA 117.A O no hydrogen 3.340 N/A HIS 122.A N LEU 118.A O no hydrogen 2.722 N/A HIS 122.A NE2 ASP 178.A OD2 no hydrogen 2.715 N/A SER 123.A N SER 119.A O no hydrogen 3.209 N/A SER 123.A OG SER 119.A O no hydrogen 3.332 N/A SER 123.A OG TYR 120.A O no hydrogen 2.802 N/A LYS 124.A N TYR 120.A O no hydrogen 3.446 N/A ARG 125.A N HIS 122.A O no hydrogen 2.910 N/A VAL 126.A N CYS 121.A O no hydrogen 2.677 N/A ILE 127.A N VAL 153.A O no hydrogen 3.149 N/A HIS 128.A N ASP 178.A OD2 no hydrogen 2.869 N/A HIS 128.A NE2 ALA 147.A O no hydrogen 3.073 N/A ARG 129.A N ASP 178.A OD1 no hydrogen 2.765 N/A ARG 129.A NE TRP 151.A O no hydrogen 2.757 N/A ARG 129.A NH1 HIS 173.A NE2 no hydrogen 3.027 N/A ARG 129.A NH2 TRP 151.A O no hydrogen 2.885 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.292 N/A LYS 132.A NZ ASP 130.A OD1 no hydrogen 3.264 N/A ASN 135.A N LYS 132.A O no hydrogen 2.799 N/A LEU 136.A N PRO 133.A O no hydrogen 3.234 N/A LEU 137.A N LYS 145.A O no hydrogen 2.787 N/A LEU 138.A N GLY 90.A O no hydrogen 2.844 N/A GLY 139.A N GLU 143.A O no hydrogen 2.865 N/A ASN 141.A N GLU 143.A OE1 no hydrogen 3.278 N/A GLY 142.A N GLY 139.A O no hydrogen 2.724 N/A LEU 144.A N GLU 113.A OE2 no hydrogen 3.098 N/A LYS 145.A N LEU 137.A O no hydrogen 2.605 N/A LYS 145.A NZ PRO 65.A O no hydrogen 2.700 N/A LYS 145.A NZ GLU 85.A OE1 no hydrogen 3.052 N/A ILE 146.A N ASN 66.A O no hydrogen 2.956 N/A ALA 147.A N ASN 135.A O no hydrogen 3.018 N/A GLY 150.A N ASP 148.A OD2 no hydrogen 3.411 N/A SER 152.A N PHE 149.A O no hydrogen 3.469 N/A SER 152.A OG ILE 127.A O no hydrogen 3.281 N/A SER 152.A OG HIS 128.A O no hydrogen 3.387 N/A VAL 153.A N ILE 127.A O no hydrogen 3.299 N/A ALA 155.A N ARG 125.A O no hydrogen 2.934 N/A THR 159.A OG1 ASP 161.A OD1 no hydrogen 3.016 N/A TYR 162.A OH GLU 188.A OE1 no hydrogen 3.374 N/A TYR 162.A OH GLU 188.A OE2 no hydrogen 2.559 N/A LEU 163.A N LEU 160.A O no hydrogen 2.804 N/A GLU 166.A N GLU 166.A OE1 no hydrogen 2.779 N/A MET 167.A N PRO 164.A O no hydrogen 3.064 N/A ILE 168.A N PRO 164.A O no hydrogen 2.979 N/A GLU 169.A N PRO 165.A O no hydrogen 3.042 N/A GLY 170.A N MET 167.A O no hydrogen 3.304 N/A ARG 171.A N GLU 166.A O no hydrogen 2.876 N/A ARG 171.A NH2 GLU 169.A OE2 no hydrogen 2.836 N/A HIS 173.A ND1 ARG 171.A O no hydrogen 3.042 N/A LYS 176.A NZ ARG 238.A O no hydrogen 2.767 N/A LYS 176.A NZ LEU 239.A O no hydrogen 3.461 N/A VAL 177.A N ASP 174.A O no hydrogen 3.199 N/A ASP 178.A N GLU 175.A O no hydrogen 3.221 N/A LEU 179.A N LYS 176.A O no hydrogen 3.268 N/A TRP 180.A N LYS 176.A O no hydrogen 3.280 N/A SER 181.A N VAL 177.A O no hydrogen 3.186 N/A SER 181.A OG TYR 162.A O no hydrogen 2.684 N/A LEU 182.A N ASP 178.A O no hydrogen 3.070 N/A GLY 183.A N LEU 179.A O no hydrogen 3.041 N/A VAL 184.A N TRP 180.A O no hydrogen 2.897 N/A LEU 185.A N SER 181.A O no hydrogen 2.824 N/A CYS 186.A N LEU 182.A O no hydrogen 2.986 N/A TYR 187.A N GLY 183.A O no hydrogen 3.264 N/A TYR 187.A OH THR 214.A O no hydrogen 2.515 N/A GLU 188.A N VAL 184.A O no hydrogen 3.092 N/A PHE 189.A N LEU 185.A O no hydrogen 2.846 N/A LEU 190.A N CYS 186.A O no hydrogen 3.431 N/A VAL 191.A N TYR 187.A O no hydrogen 2.813 N/A GLY 192.A N GLU 188.A O no hydrogen 2.773 N/A GLU 197.A N PRO 194.A O no hydrogen 3.217 N/A GLN 202.A N GLN 202.A OE1 no hydrogen 2.796 N/A GLU 203.A N THR 200.A OG1 no hydrogen 3.100 N/A THR 204.A N THR 200.A O no hydrogen 3.144 N/A THR 204.A OG1 THR 200.A O no hydrogen 3.296 N/A TYR 205.A N TYR 201.A O no hydrogen 2.901 N/A ARG 206.A N GLN 202.A O no hydrogen 3.200 N/A ARG 207.A N GLU 203.A O no hydrogen 2.859 N/A ARG 207.A NE GLU 212.A O no hydrogen 3.257 N/A ARG 207.A NH2 GLU 203.A OE2 no hydrogen 3.533 N/A ILE 208.A N THR 204.A O no hydrogen 2.990 N/A SER 209.A N TYR 205.A O no hydrogen 3.075 N/A ARG 210.A N ARG 206.A O no hydrogen 3.068 N/A ARG 210.A NH1 GLU 212.A OE2 no hydrogen 3.420 N/A VAL 211.A N ILE 208.A O no hydrogen 3.131 N/A GLU 212.A N ARG 207.A O no hydrogen 2.788 N/A VAL 219.A N PRO 216.A O no hydrogen 3.394 N/A THR 220.A OG1 GLU 104.A OE1 no hydrogen 2.595 N/A ARG 224.A N THR 220.A O no hydrogen 2.816 N/A ARG 224.A NE VAL 219.A O no hydrogen 2.690 N/A ASP 225.A N GLU 221.A O no hydrogen 2.796 N/A LEU 226.A N GLY 222.A O no hydrogen 3.269 N/A ILE 227.A N ALA 223.A O no hydrogen 3.074 N/A SER 228.A N ARG 224.A O no hydrogen 3.063 N/A SER 228.A OG ARG 224.A O no hydrogen 2.758 N/A ARG 229.A N ASP 225.A O no hydrogen 2.893 N/A ARG 229.A NE ASP 225.A OD2 no hydrogen 3.347 N/A LEU 230.A N LEU 226.A O no hydrogen 3.039 N/A LEU 230.A N ILE 227.A O no hydrogen 3.107 N/A LEU 231.A N ILE 227.A O no hydrogen 2.786 N/A LYS 232.A N LEU 230.A O no hydrogen 2.932 N/A GLN 237.A N ASN 234.A O no hydrogen 3.150 N/A ARG 238.A NE LYS 232.A O no hydrogen 2.695 N/A ARG 238.A NH1 GLU 166.A OE1 no hydrogen 2.753 N/A ARG 238.A NH1 LYS 232.A O no hydrogen 3.101 N/A ARG 238.A NH1 HIS 233.A O no hydrogen 3.541 N/A ARG 238.A NH2 GLU 166.A OE2 no hydrogen 2.718 N/A ARG 238.A NH2 LYS 176.A O no hydrogen 2.974 N/A LEU 239.A N ARG 229.A O no hydrogen 3.390 N/A THR 240.A N GLU 243.A OE1 no hydrogen 3.270 N/A GLU 243.A N THR 240.A OG1 no hydrogen 3.153 N/A VAL 244.A N THR 240.A O no hydrogen 2.861 N/A LEU 245.A N LEU 241.A O no hydrogen 2.912 N/A GLU 246.A N ALA 242.A O no hydrogen 3.074 N/A HIS 247.A N VAL 244.A O no hydrogen 3.239 N/A TRP 249.A NE1 GLU 104.A OE1 no hydrogen 2.802 N/A LYS 251.A N HIS 247.A O no hydrogen 2.821 N/A ALA 252.A N PRO 248.A O no hydrogen 2.929 N/A ASN 253.A N TRP 249.A O no hydrogen 3.208 N/A ASN 253.A ND2 TRP 249.A O no hydrogen 2.809 N/A SER 254.A N ILE 250.A O no hydrogen 3.029 N/A SER 254.A OG THR 112.A OG1 no hydrogen 2.892 N/A