Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1doh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N SER 1.A O no hydrogen 2.966 N/A ALA 5.A N LYS 2.A O no hydrogen 3.356 N/A SER 14.A N GLY 11.A O no hydrogen 3.224 N/A SER 14.A OG ASP 256.A OD2 no hydrogen 3.000 N/A ALA 15.A N PRO 12.A O no hydrogen 3.337 N/A SER 16.A N GLN 13.A O no hydrogen 3.097 N/A GLU 18.A N SER 16.A OG no hydrogen 3.320 N/A GLY 19.A N GLY 43.A O no hydrogen 2.964 N/A LYS 20.A N LEU 17.A O no hydrogen 3.140 N/A VAL 21.A N ASP 99.A OD2 no hydrogen 2.854 N/A ALA 22.A N LYS 45.A O no hydrogen 2.871 N/A LEU 23.A N ILE 100.A O no hydrogen 2.863 N/A VAL 24.A N ILE 47.A O no hydrogen 3.207 N/A THR 25.A N CYS 102.A O no hydrogen 3.162 N/A THR 25.A OG1 SER 105.A OG no hydrogen 3.247 N/A GLY 26.A N ASN 49.A OD1 no hydrogen 3.053 N/A ALA 27.A N ASN 49.A O no hydrogen 2.909 N/A ARG 29.A NH1 ASP 204.A OD2 no hydrogen 3.347 N/A ARG 33.A N ARG 29.A O no hydrogen 3.185 N/A ARG 33.A NH1 GLY 28.A O no hydrogen 2.985 N/A GLU 34.A N GLY 30.A O no hydrogen 3.176 N/A MET 35.A N ILE 31.A O no hydrogen 2.955 N/A ALA 36.A N GLY 32.A O no hydrogen 3.301 N/A MET 37.A N ARG 33.A O no hydrogen 3.078 N/A GLU 38.A N GLU 34.A O no hydrogen 2.976 N/A LEU 39.A N MET 35.A O no hydrogen 2.854 N/A GLY 40.A N ALA 36.A O no hydrogen 2.810 N/A ARG 41.A N MET 37.A O no hydrogen 2.907 N/A ARG 41.A NH1 GLU 34.A OE1 no hydrogen 3.114 N/A ARG 41.A NH1 GLU 38.A OE1 no hydrogen 2.773 N/A ARG 41.A NH2 GLU 34.A OE1 no hydrogen 3.525 N/A ARG 42.A N GLU 38.A O no hydrogen 3.124 N/A ARG 42.A N LEU 39.A O no hydrogen 3.202 N/A ARG 42.A NH1 GLU 38.A OE2 no hydrogen 2.703 N/A GLY 43.A N GLY 40.A O no hydrogen 3.125 N/A CYS 44.A N LEU 39.A O no hydrogen 3.086 N/A CYS 44.A SG LEU 17.A O no hydrogen 3.659 N/A LYS 45.A N LYS 20.A O no hydrogen 2.795 N/A VAL 46.A N ASP 70.A O no hydrogen 2.943 N/A ILE 47.A N ALA 22.A O no hydrogen 2.954 N/A VAL 48.A N ALA 72.A O no hydrogen 2.797 N/A ASN 49.A N VAL 24.A O no hydrogen 3.184 N/A ASN 49.A ND2 VAL 74.A O no hydrogen 3.166 N/A ASN 49.A ND2 ALA 76.A O no hydrogen 3.391 N/A TYR 50.A N VAL 74.A O no hydrogen 3.285 N/A THR 54.A N ASN 52.A O no hydrogen 2.734 N/A THR 54.A OG1 ASN 52.A O no hydrogen 3.337 N/A ALA 57.A N SER 53.A O no hydrogen 2.977 N/A GLU 58.A N THR 54.A O no hydrogen 3.020 N/A GLU 59.A N GLU 55.A O no hydrogen 3.106 N/A VAL 60.A N SER 56.A O no hydrogen 3.077 N/A VAL 61.A N ALA 57.A O no hydrogen 3.080 N/A ALA 62.A N GLU 58.A O no hydrogen 3.050 N/A ALA 63.A N GLU 59.A O no hydrogen 3.037 N/A ILE 64.A N VAL 60.A O no hydrogen 3.054 N/A LYS 65.A N VAL 61.A O no hydrogen 3.182 N/A LYS 66.A N ALA 62.A O no hydrogen 3.010 N/A ASN 67.A N ALA 63.A O no hydrogen 3.101 N/A ASN 67.A N ILE 64.A O no hydrogen 3.050 N/A GLY 68.A N LYS 65.A O no hydrogen 2.914 N/A SER 69.A N ILE 64.A O no hydrogen 3.260 N/A SER 69.A OG GLY 40.A O no hydrogen 3.059 N/A SER 69.A OG CYS 44.A O no hydrogen 3.226 N/A ALA 72.A N VAL 46.A O no hydrogen 3.021 N/A CYS 73.A SG GLU 58.A OE1 no hydrogen 2.605 N/A VAL 74.A N VAL 48.A O no hydrogen 3.104 N/A ALA 76.A N TYR 50.A O no hydrogen 2.895 N/A ASN 77.A N ASP 83.A OD1 no hydrogen 3.294 N/A GLY 79.A N ASN 77.A OD1 no hydrogen 2.936 N/A VAL 80.A N ASN 77.A O no hydrogen 3.003 N/A ASP 83.A N VAL 80.A O no hydrogen 2.982 N/A ILE 84.A N VAL 81.A O no hydrogen 2.947 N/A VAL 85.A N VAL 81.A O no hydrogen 3.061 N/A ARG 86.A N GLU 82.A O no hydrogen 3.208 N/A ARG 86.A NH1 LYS 75.A O no hydrogen 2.849 N/A ARG 86.A NH1 GLU 90.A OE2 no hydrogen 3.125 N/A ARG 86.A NH2 LYS 75.A O no hydrogen 2.886 N/A MET 87.A N ASP 83.A O no hydrogen 3.020 N/A PHE 88.A N ILE 84.A O no hydrogen 3.179 N/A GLU 89.A N VAL 85.A O no hydrogen 3.218 N/A GLU 90.A N ARG 86.A O no hydrogen 2.971 N/A ALA 91.A N MET 87.A O no hydrogen 2.968 N/A VAL 92.A N PHE 88.A O no hydrogen 3.173 N/A ILE 94.A N GLU 90.A O no hydrogen 3.153 N/A ILE 94.A N ALA 91.A O no hydrogen 3.086 N/A PHE 95.A N ALA 91.A O no hydrogen 3.324 N/A GLY 96.A N VAL 92.A O no hydrogen 2.779 N/A ASP 99.A N VAL 21.A O no hydrogen 2.828 N/A ILE 100.A N VAL 21.A O no hydrogen 3.034 N/A VAL 101.A N ARG 148.A O no hydrogen 2.967 N/A CYS 102.A N LEU 23.A O no hydrogen 2.859 N/A SER 103.A N ILE 150.A O no hydrogen 2.955 N/A SER 103.A OG GLN 132.A OE1 no hydrogen 2.885 N/A ASN 104.A N THR 25.A OG1 no hydrogen 3.002 N/A ASN 104.A ND2 THR 25.A O no hydrogen 3.292 N/A SER 105.A N THR 25.A OG1 no hydrogen 3.127 N/A SER 105.A OG THR 25.A OG1 no hydrogen 3.247 N/A VAL 107.A N ASN 128.A OD1 no hydrogen 2.876 N/A SER 109.A OG GLU 120.A OE2 no hydrogen 2.896 N/A GLY 111.A N LYS 164.A O no hydrogen 2.831 N/A LYS 114.A N HIS 112.A ND1 no hydrogen 3.168 N/A LYS 114.A NZ ASP 115.A OD1 no hydrogen 3.155 N/A LYS 114.A NZ ASP 115.A OD2 no hydrogen 3.410 N/A ASP 115.A N HIS 112.A O no hydrogen 2.864 N/A VAL 116.A N VAL 113.A O no hydrogen 3.398 N/A GLU 120.A N THR 117.A OG1 no hydrogen 3.019 N/A PHE 121.A N THR 117.A O no hydrogen 3.051 N/A ASP 122.A N PRO 118.A O no hydrogen 3.005 N/A ARG 123.A N GLU 119.A O no hydrogen 2.990 N/A ARG 123.A NE GLU 120.A OE1 no hydrogen 3.366 N/A ARG 123.A NH2 VAL 108.A O no hydrogen 3.246 N/A ARG 123.A NH2 GLU 120.A OE2 no hydrogen 2.909 N/A VAL 124.A N GLU 120.A O no hydrogen 3.331 N/A PHE 125.A N PHE 121.A O no hydrogen 3.118 N/A THR 126.A N ASP 122.A O no hydrogen 3.091 N/A THR 126.A OG1 ASP 122.A O no hydrogen 3.009 N/A ASN 128.A N VAL 124.A O no hydrogen 2.880 N/A ASN 128.A ND2 VAL 107.A O no hydrogen 2.822 N/A ASN 128.A ND2 SER 171.A OG no hydrogen 3.250 N/A THR 129.A N PHE 125.A O no hydrogen 3.019 N/A THR 129.A OG1 SER 171.A O no hydrogen 2.824 N/A ARG 130.A N PHE 125.A O no hydrogen 2.849 N/A GLN 132.A NE2 ASN 128.A O no hydrogen 3.095 N/A GLN 132.A NE2 MET 152.A O no hydrogen 2.854 N/A PHE 133.A N THR 129.A O no hydrogen 3.110 N/A PHE 134.A N ARG 130.A O no hydrogen 3.096 N/A VAL 135.A N GLY 131.A O no hydrogen 2.952 N/A ALA 136.A N GLN 132.A O no hydrogen 2.931 N/A ARG 137.A N PHE 133.A O no hydrogen 3.099 N/A ARG 137.A NE GLU 138.A OE2 no hydrogen 3.048 N/A ARG 137.A NH2 GLU 138.A OE2 no hydrogen 2.918 N/A GLU 138.A N PHE 134.A O no hydrogen 3.262 N/A ALA 139.A N VAL 135.A O no hydrogen 2.977 N/A TYR 140.A N ALA 136.A O no hydrogen 3.027 N/A TYR 140.A OH ASP 188.A OD1 no hydrogen 2.635 N/A TYR 140.A OH ASP 188.A OD2 no hydrogen 3.319 N/A LYS 141.A N ARG 137.A O no hydrogen 3.361 N/A LYS 141.A NZ GLU 138.A OE2 no hydrogen 2.962 N/A HIS 142.A N GLU 138.A O no hydrogen 3.077 N/A LEU 143.A N ALA 139.A O no hydrogen 2.879 N/A GLU 144.A N LEU 98.A O no hydrogen 2.875 N/A GLY 146.A N LYS 189.A O no hydrogen 2.865 N/A GLY 147.A N GLU 144.A O no hydrogen 2.944 N/A ARG 148.A N ASP 99.A O no hydrogen 3.024 N/A ARG 148.A NE GLY 147.A O no hydrogen 3.206 N/A LEU 149.A N THR 192.A O no hydrogen 2.909 N/A ILE 150.A N VAL 101.A O no hydrogen 2.989 N/A LEU 151.A N ASN 194.A O no hydrogen 2.880 N/A MET 152.A N GLN 132.A OE1 no hydrogen 3.188 N/A GLY 153.A N VAL 196.A O no hydrogen 2.789 N/A SER 154.A OG THR 156.A OG1 no hydrogen 3.167 N/A ILE 155.A N PRO 198.A O no hydrogen 3.013 N/A THR 156.A OG1 SER 154.A OG no hydrogen 3.167 N/A GLY 157.A N SER 154.A O no hydrogen 3.303 N/A GLN 158.A N ILE 155.A O no hydrogen 3.077 N/A GLN 158.A NE2 GLU 176.A OE1 no hydrogen 3.001 N/A ALA 159.A N ILE 155.A O no hydrogen 2.934 N/A LYS 160.A N MET 273.A OXT no hydrogen 2.934 N/A ALA 161.A N MET 273.A O no hydrogen 2.787 N/A SER 169.A N HIS 165.A O no hydrogen 3.064 N/A SER 169.A OG HIS 165.A O no hydrogen 2.653 N/A GLY 170.A N ALA 166.A O no hydrogen 2.952 N/A SER 171.A N VAL 167.A O no hydrogen 2.934 N/A SER 171.A OG TYR 168.A O no hydrogen 2.636 N/A LYS 172.A N TYR 168.A O no hydrogen 3.120 N/A LYS 172.A N SER 169.A O no hydrogen 3.288 N/A GLY 173.A N SER 169.A O no hydrogen 2.955 N/A ALA 174.A N GLY 170.A O no hydrogen 3.335 N/A ILE 175.A N LYS 172.A O no hydrogen 3.048 N/A THR 177.A N ALA 174.A O no hydrogen 3.100 N/A PHE 178.A N ALA 174.A O no hydrogen 2.956 N/A ALA 179.A N ILE 175.A O no hydrogen 2.940 N/A CYS 181.A N THR 177.A O no hydrogen 3.230 N/A CYS 181.A SG THR 177.A O no hydrogen 3.587 N/A MET 182.A N PHE 178.A O no hydrogen 2.651 N/A ALA 183.A N ALA 179.A O no hydrogen 2.900 N/A MET 186.A N MET 182.A O no hydrogen 2.910 N/A ALA 187.A N ILE 184.A O no hydrogen 3.437 N/A ASP 188.A N ASP 185.A O no hydrogen 3.215 N/A LYS 189.A N MET 186.A O no hydrogen 3.264 N/A LYS 189.A NZ TYR 140.A O no hydrogen 2.662 N/A LYS 189.A NZ LEU 143.A O no hydrogen 2.725 N/A LYS 190.A N ALA 187.A O no hydrogen 2.894 N/A LYS 190.A NZ ALA 187.A O no hydrogen 3.437 N/A ILE 191.A N MET 186.A O no hydrogen 3.207 N/A THR 192.A N GLY 147.A O no hydrogen 3.271 N/A VAL 193.A N THR 261.A OG1 no hydrogen 3.269 N/A ASN 194.A N LEU 149.A O no hydrogen 3.151 N/A ASN 194.A ND2 VAL 260.A O no hydrogen 2.904 N/A VAL 195.A N LYS 263.A O no hydrogen 2.820 N/A VAL 196.A N LEU 151.A O no hydrogen 3.070 N/A ALA 197.A N ILE 265.A O no hydrogen 2.860 N/A GLY 199.A N ILE 267.A O no hydrogen 3.183 N/A LYS 202.A N GLY 240.A O no hydrogen 2.966 N/A LYS 202.A NZ ASP 226.A OD2 no hydrogen 2.979 N/A MET 205.A N THR 203.A OG1 no hydrogen 3.128 N/A TYR 206.A OH ASP 226.A OD1 no hydrogen 2.685 N/A HIS 207.A N THR 203.A O no hydrogen 3.107 N/A ALA 208.A N ASP 204.A O no hydrogen 3.200 N/A ALA 208.A N MET 205.A O no hydrogen 3.234 N/A VAL 209.A N MET 205.A O no hydrogen 3.183 N/A CYS 210.A N TYR 206.A O no hydrogen 2.828 N/A ARG 211.A NE LEU 220.A O no hydrogen 2.818 N/A ARG 211.A NH2 LEU 220.A O no hydrogen 2.776 N/A ARG 211.A NH2 ASN 222.A OD1 no hydrogen 2.685 N/A GLU 212.A N VAL 209.A O no hydrogen 3.060 N/A TYR 213.A N CYS 210.A O no hydrogen 2.984 N/A ILE 214.A N ARG 211.A O no hydrogen 3.041 N/A GLY 217.A N ILE 214.A O no hydrogen 2.950 N/A LEU 220.A N GLY 217.A O no hydrogen 2.926 N/A SER 221.A N GLU 224.A OE1 no hydrogen 2.849 N/A GLU 224.A N SER 221.A OG no hydrogen 2.941 N/A VAL 225.A N SER 221.A O no hydrogen 2.885 N/A ASP 226.A N ASN 222.A O no hydrogen 3.152 N/A GLU 227.A N GLU 223.A O no hydrogen 3.335 N/A TYR 228.A N GLU 224.A O no hydrogen 3.085 N/A ALA 229.A N VAL 225.A O no hydrogen 2.917 N/A ALA 230.A N ASP 226.A O no hydrogen 2.780 N/A VAL 231.A N GLU 227.A O no hydrogen 2.904 N/A GLN 232.A N TYR 228.A O no hydrogen 2.640 N/A TRP 233.A N ALA 229.A O no hydrogen 3.097 N/A SER 234.A OG GLY 269.A O no hydrogen 3.037 N/A LEU 236.A N SER 234.A OG no hydrogen 3.075 N/A ARG 237.A N SER 234.A O no hydrogen 2.830 N/A ARG 238.A NH1 VAL 239.A O no hydrogen 3.107 N/A ARG 238.A NH1 ASP 244.A OD2 no hydrogen 3.041 N/A ARG 238.A NH2 ASP 244.A OD1 no hydrogen 2.907 N/A LEU 241.A N ASP 244.A OD2 no hydrogen 2.897 N/A ASP 244.A N LEU 241.A O no hydrogen 2.911 N/A ILE 245.A N PRO 242.A O no hydrogen 3.187 N/A ALA 246.A N PRO 242.A O no hydrogen 2.984 N/A ARG 247.A N ILE 243.A O no hydrogen 3.019 N/A VAL 249.A N ILE 245.A O no hydrogen 3.045 N/A CYS 250.A N ALA 246.A O no hydrogen 3.075 N/A CYS 250.A SG ALA 246.A O no hydrogen 3.512 N/A PHE 251.A N ARG 247.A O no hydrogen 3.269 N/A LEU 252.A N VAL 248.A O no hydrogen 3.147 N/A ALA 253.A N VAL 249.A O no hydrogen 2.898 N/A SER 254.A N PHE 251.A O no hydrogen 3.072 N/A SER 254.A OG PHE 251.A O no hydrogen 2.669 N/A ASN 255.A ND2 PRO 7.A O no hydrogen 3.358 N/A ASN 255.A ND2 SER 14.A OG no hydrogen 2.753 N/A GLY 257.A N SER 254.A O no hydrogen 2.957 N/A GLY 258.A N ASN 255.A O no hydrogen 2.951 N/A VAL 260.A N GLY 257.A O no hydrogen 3.202 N/A GLY 262.A N VAL 193.A O no hydrogen 2.838 N/A LYS 263.A N ASN 194.A OD1 no hydrogen 3.179 N/A LYS 263.A NZ THR 261.A O no hydrogen 2.964 N/A ILE 265.A N VAL 195.A O no hydrogen 2.831 N/A ILE 267.A N ALA 197.A O no hydrogen 3.049 N/A GLY 270.A N ASP 268.A OD1 no hydrogen 2.886 N/A ALA 271.A N ASP 268.A OD1 no hydrogen 2.990 N/A