Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wjd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 2.A N GLY 34.A O no hydrogen 3.089 N/A ILE 3.A N PHE 231.A O no hydrogen 3.144 N/A ASP 4.A N THR 37.A O no hydrogen 2.912 N/A HIS 6.A N ASP 4.A OD1 no hydrogen 3.505 N/A HIS 6.A ND1 GLN 162.A OE1 no hydrogen 2.926 N/A SER 7.A N THR 41.A OG1 no hydrogen 2.860 N/A SER 7.A OG VAL 39.A O no hydrogen 2.761 N/A HIS 8.A N MET 201.A O no hydrogen 2.880 N/A HIS 8.A ND1 ASP 14.A OD1 no hydrogen 2.996 N/A HIS 8.A NE2 GLU 81.A OE2 no hydrogen 2.906 N/A ASP 12.A N PRO 17.A O no hydrogen 2.939 N/A GLY 16.A N ASP 14.A OD2 no hydrogen 2.779 N/A LYS 18.A N GLU 22.A OE1 no hydrogen 2.733 N/A ARG 20.A NE GLN 62.A OE1 no hydrogen 3.374 N/A ARG 20.A NH2 GLN 62.A OE1 no hydrogen 2.889 N/A GLU 22.A N SER 19.A OG no hydrogen 3.150 N/A SER 23.A N SER 19.A O no hydrogen 2.921 N/A SER 23.A OG ILE 9.A O no hydrogen 2.688 N/A SER 23.A OG SER 19.A O no hydrogen 3.455 N/A LYS 24.A N ARG 20.A O no hydrogen 2.789 N/A LYS 24.A NZ GLU 69.A OE2 no hydrogen 2.898 N/A ALA 25.A N GLU 21.A O no hydrogen 3.009 N/A LEU 26.A N GLU 22.A O no hydrogen 3.079 N/A LEU 27.A N SER 23.A O no hydrogen 3.083 N/A ALA 28.A N LYS 24.A O no hydrogen 3.044 N/A GLU 29.A N ALA 25.A O no hydrogen 3.138 N/A SER 30.A N LEU 26.A O no hydrogen 2.969 N/A TYR 31.A N LEU 27.A O no hydrogen 2.836 N/A TYR 31.A OH ASP 73.A OD1 no hydrogen 2.486 N/A TYR 31.A OH ASP 73.A OD2 no hydrogen 3.137 N/A ARG 32.A N ALA 28.A O no hydrogen 2.907 N/A ARG 32.A NE GLU 29.A OE2 no hydrogen 3.176 N/A ARG 32.A NH2 GLU 29.A OE1 no hydrogen 2.604 N/A GLN 33.A N GLU 29.A O no hydrogen 3.097 N/A GLN 33.A NE2 GLU 29.A OE1 no hydrogen 3.057 N/A GLN 33.A NE2 PRO 209.A O no hydrogen 2.892 N/A GLY 34.A N TYR 31.A O no hydrogen 2.901 N/A VAL 35.A N SER 30.A O no hydrogen 3.161 N/A ARG 36.A N MET 2.A O no hydrogen 2.928 N/A ARG 36.A NH1 TYR 31.A O no hydrogen 3.112 N/A ARG 36.A NH1 VAL 35.A O no hydrogen 2.875 N/A THR 37.A N MET 2.A O no hydrogen 3.403 N/A ILE 38.A N VAL 75.A O no hydrogen 3.004 N/A VAL 39.A N ASP 4.A O no hydrogen 2.812 N/A SER 40.A N ALA 77.A O no hydrogen 2.790 N/A THR 41.A N SER 7.A O no hydrogen 2.927 N/A THR 41.A OG1 SER 7.A O no hydrogen 3.038 N/A HIS 43.A N ASP 14.A OD1 no hydrogen 2.775 N/A ARG 44.A N GLU 81.A O no hydrogen 2.935 N/A ARG 44.A NE GLU 53.A OE2 no hydrogen 2.743 N/A ARG 44.A NH1 GLU 53.A OE2 no hydrogen 2.478 N/A ARG 44.A NH2 SER 42.A O no hydrogen 2.948 N/A ARG 45.A N PHE 49.A O no hydrogen 3.023 N/A GLY 47.A N GLU 50.A OE2 no hydrogen 2.864 N/A MET 48.A N ARG 45.A O no hydrogen 3.209 N/A PHE 49.A N ARG 45.A O no hydrogen 2.912 N/A THR 51.A OG1 VAL 13.A O no hydrogen 2.727 N/A LYS 55.A N PRO 52.A O no hydrogen 2.912 N/A LYS 55.A NZ ASP 12.A O no hydrogen 3.273 N/A LYS 55.A NZ ASP 12.A OD2 no hydrogen 2.934 N/A ILE 56.A N PRO 52.A O no hydrogen 3.181 N/A ALA 57.A N GLU 53.A O no hydrogen 3.028 N/A GLU 58.A N GLU 54.A O no hydrogen 2.947 N/A ASN 59.A N LYS 55.A O no hydrogen 3.001 N/A PHE 60.A N ILE 56.A O no hydrogen 2.734 N/A LEU 61.A N ALA 57.A O no hydrogen 2.988 N/A GLN 62.A N GLU 58.A O no hydrogen 3.429 N/A GLN 62.A NE2 GLU 58.A O no hydrogen 3.367 N/A VAL 63.A N ASN 59.A O no hydrogen 2.901 N/A ARG 64.A N PHE 60.A O no hydrogen 2.850 N/A ARG 64.A N LEU 61.A O no hydrogen 3.123 N/A GLU 65.A N LEU 61.A O no hydrogen 3.189 N/A ILE 66.A N GLN 62.A O no hydrogen 3.044 N/A ALA 67.A N VAL 63.A O no hydrogen 3.051 N/A LYS 68.A N GLU 65.A O no hydrogen 3.061 N/A GLU 69.A N ILE 66.A O no hydrogen 2.806 N/A VAL 70.A N ALA 67.A O no hydrogen 2.957 N/A ALA 71.A N ALA 67.A O no hydrogen 3.129 N/A LEU 74.A N ALA 71.A O no hydrogen 3.384 N/A VAL 75.A N ARG 36.A O no hydrogen 2.985 N/A ALA 77.A N ILE 38.A O no hydrogen 2.971 N/A GLU 81.A N SER 42.A O no hydrogen 2.965 N/A ILE 82.A N LEU 107.A O no hydrogen 2.881 N/A TYR 83.A N ARG 44.A O no hydrogen 2.918 N/A TYR 83.A OH SER 111.A OG no hydrogen 2.465 N/A TYR 84.A N GLU 109.A O no hydrogen 3.051 N/A THR 85.A OG1 ASP 87.A OD1 no hydrogen 2.691 N/A VAL 88.A N THR 85.A O no hydrogen 2.805 N/A LEU 89.A N PRO 86.A O no hydrogen 3.233 N/A LYS 91.A N ASP 87.A O no hydrogen 3.409 N/A LYS 91.A NZ ASP 87.A OD2 no hydrogen 3.217 N/A LEU 92.A N VAL 88.A O no hydrogen 2.917 N/A GLU 93.A N LEU 89.A O no hydrogen 2.927 N/A LYS 94.A N ASP 90.A O no hydrogen 2.823 N/A LYS 95.A N LEU 92.A O no hydrogen 2.884 N/A LYS 95.A NZ ASP 102.A OD1 no hydrogen 3.080 N/A ARG 96.A N LYS 91.A O no hydrogen 2.711 N/A ILE 97.A N LYS 91.A O no hydrogen 3.334 N/A THR 99.A OG1 SER 103.A O no hydrogen 2.519 N/A LEU 100.A N TYR 105.A O no hydrogen 2.808 N/A ASN 101.A N TYR 78.A O no hydrogen 2.847 N/A ASN 101.A ND2 VAL 239.A O no hydrogen 2.814 N/A ASP 102.A N THR 99.A O no hydrogen 3.286 N/A SER 103.A N LEU 100.A O no hydrogen 2.989 N/A SER 103.A OG LEU 100.A O no hydrogen 2.623 N/A SER 103.A OG ILE 238.A O no hydrogen 3.411 N/A ARG 104.A N ASP 241.A OD1 no hydrogen 2.875 N/A ARG 104.A NE ASP 241.A OD1 no hydrogen 2.925 N/A ARG 104.A NH2 ASP 241.A O no hydrogen 2.802 N/A TYR 105.A N SER 103.A OG no hydrogen 3.104 N/A TYR 105.A OH GLN 242.A O no hydrogen 2.503 N/A ALA 106.A N THR 132.A O no hydrogen 2.922 N/A ILE 108.A N VAL 134.A O no hydrogen 2.884 N/A GLU 109.A N ILE 82.A O no hydrogen 2.762 N/A PHE 110.A N TYR 141.A OH no hydrogen 3.073 N/A SER 111.A N THR 114.A OG1 no hydrogen 2.916 N/A SER 111.A OG TYR 83.A OH no hydrogen 2.465 N/A THR 114.A N SER 111.A O no hydrogen 3.276 N/A THR 114.A OG1 SER 111.A O no hydrogen 2.982 N/A TYR 116.A OH ARG 150.A O no hydrogen 3.214 N/A TYR 116.A OH GLU 153.A OE1 no hydrogen 2.674 N/A ASP 118.A N PRO 115.A O no hydrogen 2.887 N/A ILE 119.A N PRO 115.A O no hydrogen 3.236 N/A HIS 120.A N TYR 116.A O no hydrogen 2.836 N/A SER 121.A N ARG 117.A O no hydrogen 3.002 N/A ALA 122.A N ASP 118.A O no hydrogen 3.025 N/A LEU 123.A N ILE 119.A O no hydrogen 2.980 N/A SER 124.A N HIS 120.A O no hydrogen 2.933 N/A SER 124.A OG HIS 120.A O no hydrogen 3.237 N/A LYS 125.A N SER 121.A O no hydrogen 3.114 N/A ILE 126.A N ALA 122.A O no hydrogen 3.162 N/A LEU 127.A N LEU 123.A O no hydrogen 3.135 N/A MET 128.A N SER 124.A O no hydrogen 2.941 N/A LEU 129.A N ILE 126.A O no hydrogen 2.961 N/A GLY 130.A N LEU 127.A O no hydrogen 2.885 N/A THR 132.A N ARG 104.A O no hydrogen 2.715 N/A VAL 134.A N ALA 106.A O no hydrogen 2.932 N/A ILE 135.A N TYR 160.A O no hydrogen 2.777 N/A ALA 136.A N ILE 108.A O no hydrogen 2.733 N/A HIS 137.A N GLN 162.A OE1 no hydrogen 3.053 N/A HIS 137.A ND1 HIS 137.A O no hydrogen 2.843 N/A ILE 138.A N GLN 162.A O no hydrogen 3.059 N/A ARG 140.A N HIS 137.A O no hydrogen 3.114 N/A TYR 141.A N ILE 138.A O no hydrogen 3.308 N/A TYR 141.A OH ALA 136.A O no hydrogen 2.793 N/A ASP 142.A N MET 112.A O no hydrogen 2.975 N/A LEU 144.A N TYR 141.A O no hydrogen 3.110 N/A GLU 145.A N ASP 142.A O no hydrogen 3.012 N/A ASN 147.A N LEU 144.A O no hydrogen 3.172 N/A ARG 150.A NH1 ALA 143.A O no hydrogen 2.777 N/A VAL 151.A N ASN 147.A O no hydrogen 3.351 N/A ARG 152.A N GLU 148.A O no hydrogen 2.760 N/A ARG 152.A NH1 ASP 156.A OD2 no hydrogen 2.827 N/A GLU 153.A N LYS 149.A O no hydrogen 3.097 N/A LEU 154.A N ARG 150.A O no hydrogen 3.213 N/A ILE 155.A N VAL 151.A O no hydrogen 2.886 N/A ASP 156.A N ARG 152.A O no hydrogen 2.737 N/A MET 157.A N GLU 153.A O no hydrogen 2.976 N/A MET 157.A N LEU 154.A O no hydrogen 3.153 N/A GLY 158.A N LEU 154.A O no hydrogen 3.337 N/A GLY 158.A N ILE 155.A O no hydrogen 3.093 N/A CYS 159.A N LEU 154.A O no hydrogen 3.093 N/A TYR 160.A N PRO 133.A O no hydrogen 3.124 N/A THR 161.A OG1 LEU 193.A O no hydrogen 2.554 N/A GLN 162.A N ILE 135.A O no hydrogen 2.958 N/A GLN 162.A NE2 ASN 164.A OD1 no hydrogen 2.607 N/A VAL 163.A N VAL 196.A O no hydrogen 2.864 N/A ASN 164.A N GLU 139.A OE1 no hydrogen 3.313 N/A ASN 164.A N GLU 139.A OE2 no hydrogen 3.391 N/A ASN 164.A ND2 ASP 200.A OD2 no hydrogen 2.957 N/A SER 165.A N ALA 198.A O no hydrogen 2.702 N/A HIS 167.A N ASN 164.A O no hydrogen 3.038 N/A HIS 167.A ND1 GLU 139.A OE1 no hydrogen 2.600 N/A VAL 168.A N SER 165.A O no hydrogen 3.139 N/A LYS 172.A N GLU 176.A OE2 no hydrogen 2.761 N/A TYR 178.A N GLU 176.A OE1 no hydrogen 3.075 N/A LYS 182.A N TYR 178.A O no hydrogen 2.911 N/A LYS 182.A NZ LYS 170.A O no hydrogen 2.807 N/A LYS 182.A NZ GLU 176.A OE1 no hydrogen 3.356 N/A LYS 182.A NZ GLU 176.A OE2 no hydrogen 2.917 N/A LYS 183.A N LYS 179.A O no hydrogen 2.985 N/A ARG 184.A N PHE 180.A O no hydrogen 2.880 N/A ARG 184.A NH1 GLU 139.A O no hydrogen 3.021 N/A ARG 184.A NH1 ARG 140.A O no hydrogen 3.175 N/A ARG 184.A NH1 ASP 142.A OD1 no hydrogen 3.440 N/A ARG 184.A NH2 ASP 142.A OD1 no hydrogen 2.671 N/A ARG 184.A NH2 GLU 145.A OE2 no hydrogen 3.004 N/A ALA 185.A N MET 181.A O no hydrogen 2.868 N/A GLN 186.A N LYS 182.A O no hydrogen 3.047 N/A TYR 187.A N LYS 183.A O no hydrogen 3.070 N/A PHE 188.A N ARG 184.A O no hydrogen 3.131 N/A LEU 189.A N ALA 185.A O no hydrogen 3.055 N/A GLU 190.A N GLN 186.A O no hydrogen 3.065 N/A GLN 191.A N TYR 187.A O no hydrogen 3.022 N/A ASP 192.A N LEU 189.A O no hydrogen 3.073 N/A LEU 193.A N PHE 188.A O no hydrogen 2.822 N/A HIS 195.A N THR 161.A O no hydrogen 3.298 N/A HIS 195.A N THR 161.A OG1 no hydrogen 3.106 N/A VAL 196.A N THR 161.A O no hydrogen 2.951 N/A ILE 197.A N LEU 230.A O no hydrogen 3.202 N/A ALA 198.A N VAL 163.A O no hydrogen 2.996 N/A SER 199.A N ASP 4.A OD1 no hydrogen 2.796 N/A SER 199.A OG ASP 4.A OD2 no hydrogen 2.573 N/A SER 199.A OG HIS 6.A O no hydrogen 3.310 N/A ASP 200.A N HIS 6.A O no hydrogen 2.883 N/A MET 201.A N SER 199.A OG no hydrogen 2.854 N/A HIS 202.A N ARG 207.A O no hydrogen 2.894 N/A HIS 202.A ND1 ASP 200.A O no hydrogen 2.637 N/A ASN 203.A N ARG 207.A O no hydrogen 3.169 N/A HIS 210.A N SER 165.A OG no hydrogen 3.035 N/A MET 211.A N GLN 33.A OE1 no hydrogen 2.992 N/A ALA 212.A N GLN 33.A OE1 no hydrogen 3.323 N/A ALA 214.A N HIS 210.A O no hydrogen 2.852 N/A TYR 215.A N MET 211.A O no hydrogen 2.803 N/A TYR 215.A OH GLU 224.A OE2 no hydrogen 2.798 N/A ASP 216.A N ALA 212.A O no hydrogen 3.138 N/A LEU 217.A N GLU 213.A O no hydrogen 3.021 N/A VAL 218.A N ALA 214.A O no hydrogen 3.051 N/A THR 219.A N TYR 215.A O no hydrogen 2.967 N/A THR 219.A OG1 TYR 215.A O no hydrogen 2.841 N/A THR 219.A OG1 GLU 224.A OE1 no hydrogen 3.340 N/A GLN 220.A N ASP 216.A O no hydrogen 3.151 N/A LYS 221.A N LEU 217.A O no hydrogen 2.961 N/A LYS 221.A NZ GLU 190.A OE2 no hydrogen 3.053 N/A LYS 221.A NZ TYR 222.A OH no hydrogen 2.946 N/A TYR 222.A N VAL 218.A O no hydrogen 2.737 N/A GLY 223.A N THR 219.A O no hydrogen 2.726 N/A LYS 226.A N GLY 223.A O no hydrogen 3.180 N/A LYS 226.A NZ ASP 192.A OD1 no hydrogen 2.889 N/A LYS 226.A NZ ASP 192.A OD2 no hydrogen 3.385 N/A LYS 226.A NZ GLU 229.A OE1 no hydrogen 3.271 N/A ALA 227.A N GLY 223.A O no hydrogen 3.253 N/A GLN 228.A N GLU 224.A O no hydrogen 3.040 N/A GLU 229.A N ALA 225.A O no hydrogen 3.208 N/A LEU 230.A N LYS 226.A O no hydrogen 2.994 N/A PHE 231.A N ALA 227.A O no hydrogen 2.875 N/A ILE 232.A N GLN 228.A O no hydrogen 2.884 N/A ASP 233.A N GLN 228.A O no hydrogen 2.756 N/A ASN 234.A N GLU 229.A O no hydrogen 2.864 N/A ASN 234.A ND2 HIS 195.A O no hydrogen 2.802 N/A ASN 234.A ND2 GLU 229.A OE2 no hydrogen 3.201 N/A ARG 236.A N ILE 232.A O no hydrogen 2.831 N/A LYS 237.A N ASP 233.A O no hydrogen 2.962 N/A ILE 238.A N ASN 234.A O no hydrogen 2.965 N/A VAL 239.A N PRO 235.A O no hydrogen 2.943 N/A MET 240.A N ARG 236.A O no hydrogen 3.003 N/A ASP 241.A N ILE 238.A O no hydrogen 3.083 N/A GLN 242.A N LYS 237.A O no hydrogen 2.818 N/A ILE 244.A N TYR 105.A OH no hydrogen 2.980 N/A