Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q16_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A NE TYR 232.A O no hydrogen 3.096 N/A ARG 5.A NH2 ALA 231.A O no hydrogen 3.256 N/A ARG 5.A NH2 TYR 232.A O no hydrogen 3.235 N/A ARG 5.A NH2 ARG 236.A O no hydrogen 2.836 N/A SER 6.A N SER 2.A O no hydrogen 2.886 N/A SER 6.A OG SER 2.A O no hydrogen 2.896 N/A HIS 7.A N PRO 3.A O no hydrogen 3.210 N/A ILE 8.A N LEU 4.A O no hydrogen 3.067 N/A ILE 9.A N ARG 5.A O no hydrogen 3.241 N/A ARG 10.A N SER 6.A O no hydrogen 3.099 N/A GLU 11.A N HIS 7.A O no hydrogen 2.944 N/A LEU 12.A N ILE 8.A O no hydrogen 3.041 N/A VAL 14.A N ILE 9.A O no hydrogen 3.203 N/A GLU 23.A N ASP 19.A O no hydrogen 2.833 N/A VAL 24.A N PRO 20.A O no hydrogen 3.021 N/A GLU 25.A N GLY 21.A O no hydrogen 2.987 N/A ARG 26.A N ALA 22.A O no hydrogen 2.943 N/A ARG 27.A N GLU 23.A O no hydrogen 3.095 N/A ARG 27.A NE GLU 23.A OE1 no hydrogen 2.749 N/A ARG 27.A NH1 PRO 182.A O no hydrogen 2.770 N/A ARG 27.A NH1 SER 184.A O no hydrogen 2.857 N/A ARG 27.A NH2 GLU 23.A OE1 no hydrogen 2.829 N/A ARG 27.A NH2 SER 184.A O no hydrogen 3.164 N/A VAL 28.A N VAL 24.A O no hydrogen 2.928 N/A ALA 29.A N GLU 25.A O no hydrogen 2.941 N/A PHE 30.A N ARG 26.A O no hydrogen 2.832 N/A LEU 31.A N ARG 27.A O no hydrogen 3.311 N/A CYS 32.A N VAL 28.A O no hydrogen 3.065 N/A CYS 32.A SG VAL 28.A O no hydrogen 3.387 N/A CYS 32.A SG ALA 63.A O no hydrogen 3.188 N/A ASP 33.A N ALA 29.A O no hydrogen 2.819 N/A TYR 34.A N PHE 30.A O no hydrogen 3.180 N/A LEU 35.A N LEU 31.A O no hydrogen 3.269 N/A GLN 36.A N CYS 32.A O no hydrogen 3.029 N/A SER 37.A N TYR 34.A O no hydrogen 3.043 N/A SER 37.A OG TYR 34.A O no hydrogen 2.497 N/A THR 38.A N LEU 35.A O no hydrogen 3.162 N/A THR 38.A OG1 LEU 35.A O no hydrogen 2.702 N/A THR 38.A OG1 THR 40.A OG1 no hydrogen 2.808 N/A THR 40.A OG1 THR 38.A OG1 no hydrogen 2.808 N/A LYS 41.A N ASN 153.A O no hydrogen 2.775 N/A PHE 43.A N THR 75.A O no hydrogen 3.235 N/A VAL 44.A N LEU 155.A O no hydrogen 2.855 N/A LEU 45.A N LEU 77.A O no hydrogen 3.095 N/A GLY 46.A N GLN 145.A OE1 no hydrogen 3.057 N/A ILE 47.A N VAL 79.A O no hydrogen 2.984 N/A SER 48.A N SER 53.A OG no hydrogen 3.210 N/A SER 48.A OG SER 53.A OG no hydrogen 3.205 N/A GLY 50.A N SER 48.A OG no hydrogen 3.375 N/A GLN 51.A NE2 LYS 188.A O no hydrogen 2.697 N/A SER 53.A OG SER 48.A OG no hydrogen 3.205 N/A THR 54.A N GLY 50.A O no hydrogen 3.192 N/A THR 54.A OG1 GLY 50.A O no hydrogen 2.445 N/A LEU 55.A N GLN 51.A O no hydrogen 3.059 N/A ALA 56.A N ASP 52.A O no hydrogen 2.831 N/A GLY 57.A N SER 53.A O no hydrogen 2.939 N/A ARG 58.A N THR 54.A O no hydrogen 3.283 N/A ARG 58.A NH1 ILE 99.A O no hydrogen 2.585 N/A LEU 59.A N LEU 55.A O no hydrogen 3.188 N/A CYS 60.A N ALA 56.A O no hydrogen 3.054 N/A CYS 60.A SG ALA 56.A O no hydrogen 3.206 N/A GLN 61.A N GLY 57.A O no hydrogen 2.994 N/A GLN 61.A NE2 GLU 65.A OE2 no hydrogen 3.071 N/A GLN 61.A NE2 ASP 102.A OD1 no hydrogen 3.071 N/A LEU 62.A N ARG 58.A O no hydrogen 2.870 N/A ALA 63.A N LEU 59.A O no hydrogen 3.049 N/A ALA 63.A N CYS 60.A O no hydrogen 3.245 N/A VAL 64.A N CYS 60.A O no hydrogen 3.093 N/A GLU 65.A N GLN 61.A O no hydrogen 3.204 N/A ARG 66.A N LEU 62.A O no hydrogen 3.047 N/A ARG 66.A NH1 GLU 25.A OE1 no hydrogen 3.510 N/A ARG 66.A NH1 GLU 25.A OE2 no hydrogen 2.903 N/A ARG 66.A NH2 GLU 25.A OE1 no hydrogen 2.675 N/A ARG 67.A N ALA 63.A O no hydrogen 3.072 N/A ARG 68.A N VAL 64.A O no hydrogen 3.210 N/A ARG 68.A NH1 ASP 102.A OD2 no hydrogen 3.109 N/A ARG 68.A NH2 ASP 102.A OD1 no hydrogen 2.919 N/A ARG 68.A NH2 ASP 102.A OD2 no hydrogen 3.297 N/A SER 69.A N GLU 65.A O no hydrogen 3.196 N/A SER 69.A OG GLU 65.A O no hydrogen 3.268 N/A SER 69.A OG ARG 66.A O no hydrogen 2.674 N/A GLN 70.A N ARG 67.A O no hydrogen 3.035 N/A GLY 71.A N ARG 68.A O no hydrogen 3.209 N/A HIS 72.A N ARG 67.A O no hydrogen 2.865 N/A THR 75.A N LYS 41.A O no hydrogen 3.115 N/A PHE 76.A N ASP 102.A OD2 no hydrogen 2.885 N/A LEU 77.A N PHE 43.A O no hydrogen 2.802 N/A ALA 78.A N ARG 103.A O no hydrogen 2.965 N/A VAL 79.A N LEU 45.A O no hydrogen 3.107 N/A ARG 80.A N VAL 105.A O no hydrogen 3.049 N/A TYR 83.A OH ASP 114.A OD1 no hydrogen 2.318 N/A ALA 90.A N ASP 88.A OD2 no hydrogen 3.321 N/A GLN 93.A N GLU 89.A O no hydrogen 2.979 N/A GLN 93.A NE2 GLN 93.A O no hydrogen 3.451 N/A GLN 93.A NE2 ASP 97.A OD1 no hydrogen 2.765 N/A GLN 94.A N ALA 90.A O no hydrogen 2.803 N/A ALA 95.A N ASP 91.A O no hydrogen 3.321 N/A LEU 96.A N ALA 92.A O no hydrogen 3.065 N/A ASP 97.A N GLN 93.A O no hydrogen 3.109 N/A PHE 98.A N ALA 95.A O no hydrogen 2.923 N/A ILE 99.A N ALA 95.A O no hydrogen 2.845 N/A GLN 100.A N LEU 96.A O no hydrogen 3.048 N/A GLN 100.A NE2 ASP 97.A O no hydrogen 2.563 N/A ASP 102.A N GLN 61.A OE1 no hydrogen 3.141 N/A VAL 105.A N ALA 78.A O no hydrogen 3.136 N/A VAL 107.A N ARG 80.A O no hydrogen 2.978 N/A ASN 108.A ND2 GLY 84.A O no hydrogen 3.162 N/A ILE 109.A N PRO 82.A O no hydrogen 3.127 N/A LYS 110.A NZ ASP 114.A OD2 no hydrogen 2.165 N/A ALA 113.A N ILE 109.A O no hydrogen 2.797 N/A ASP 114.A N LYS 110.A O no hydrogen 2.920 N/A ALA 115.A N GLU 111.A O no hydrogen 3.326 N/A SER 116.A N ALA 112.A O no hydrogen 3.048 N/A VAL 117.A N ALA 113.A O no hydrogen 2.907 N/A ALA 118.A N ASP 114.A O no hydrogen 2.943 N/A ALA 119.A N ALA 115.A O no hydrogen 3.157 N/A ALA 120.A N SER 116.A O no hydrogen 3.218 N/A GLN 121.A N VAL 117.A O no hydrogen 2.904 N/A ALA 122.A N ALA 118.A O no hydrogen 2.920 N/A ALA 123.A N ALA 119.A O no hydrogen 3.229 N/A ALA 123.A N ALA 120.A O no hydrogen 3.194 N/A LEU 124.A N ALA 120.A O no hydrogen 2.954 N/A GLY 125.A N GLN 121.A O no hydrogen 3.130 N/A SER 126.A OG GLU 127.A O no hydrogen 3.275 N/A VAL 128.A N GLN 121.A OE1 no hydrogen 3.192 N/A VAL 132.A N ARG 129.A O no hydrogen 3.166 N/A ARG 133.A N ARG 129.A O no hydrogen 3.463 N/A GLY 134.A N ASP 130.A O no hydrogen 3.084 N/A ASN 135.A N PHE 131.A O no hydrogen 2.950 N/A VAL 136.A N VAL 132.A O no hydrogen 3.074 N/A LYS 137.A N ARG 133.A O no hydrogen 3.160 N/A ALA 138.A N GLY 134.A O no hydrogen 3.205 N/A ARG 139.A N ASN 135.A O no hydrogen 3.087 N/A ARG 139.A NE LYS 172.A O no hydrogen 2.732 N/A ARG 139.A NH2 LYS 172.A O no hydrogen 3.250 N/A GLU 140.A N VAL 136.A O no hydrogen 2.941 N/A ARG 141.A N LYS 137.A O no hydrogen 3.102 N/A ARG 141.A NE LEU 81.A O no hydrogen 2.749 N/A ARG 141.A NH2 LEU 81.A O no hydrogen 3.049 N/A MET 142.A N ARG 139.A O no hydrogen 3.212 N/A VAL 143.A N ARG 139.A O no hydrogen 3.088 N/A ALA 144.A N GLU 140.A O no hydrogen 3.059 N/A GLN 145.A N ARG 141.A O no hydrogen 3.259 N/A GLN 145.A NE2 ARG 141.A O no hydrogen 2.705 N/A TYR 146.A N MET 142.A O no hydrogen 3.086 N/A TYR 146.A OH ASP 179.A OD1 no hydrogen 2.675 N/A ALA 147.A N VAL 143.A O no hydrogen 2.984 N/A ALA 147.A N ALA 144.A O no hydrogen 3.141 N/A LEU 148.A N ALA 144.A O no hydrogen 3.043 N/A ALA 149.A N GLN 145.A O no hydrogen 2.902 N/A GLY 150.A N TYR 146.A O no hydrogen 3.197 N/A GLN 151.A N ALA 147.A O no hydrogen 3.124 N/A GLU 152.A N LEU 148.A O no hydrogen 3.005 N/A ASN 153.A ND2 PRO 39.A O no hydrogen 2.733 N/A LEU 154.A N ALA 149.A O no hydrogen 2.770 N/A LEU 155.A N GLY 42.A O no hydrogen 2.834 N/A VAL 156.A N ASP 179.A OD2 no hydrogen 2.941 N/A VAL 157.A N VAL 44.A O no hydrogen 3.110 N/A GLY 158.A N LEU 180.A O no hydrogen 2.812 N/A HIS 161.A NE2 ASP 52.A OD2 no hydrogen 2.813 N/A ALA 162.A N LEU 186.A O no hydrogen 3.031 N/A GLU 164.A N HIS 161.A ND1 no hydrogen 3.080 N/A GLU 164.A N HIS 161.A O no hydrogen 3.217 N/A ALA 165.A N HIS 161.A O no hydrogen 2.761 N/A LEU 166.A N ALA 162.A O no hydrogen 2.933 N/A THR 167.A OG1 ALA 163.A O no hydrogen 3.531 N/A THR 167.A OG1 GLU 164.A O no hydrogen 3.483 N/A PHE 169.A N GLU 164.A O no hydrogen 3.025 N/A TYR 170.A N GLY 168.A O no hydrogen 2.805 N/A THR 171.A N ASP 175.A OD1 no hydrogen 2.785 N/A THR 171.A OG1 ASN 135.A OD1 no hydrogen 3.179 N/A LYS 172.A NZ HIS 255.A ND1 no hydrogen 3.139 N/A LYS 172.A NZ HIS 255.A O no hydrogen 3.458 N/A GLY 174.A N THR 171.A O no hydrogen 3.013 N/A ASP 175.A N ASP 175.A OD1 no hydrogen 2.566 N/A GLY 176.A N THR 171.A O no hydrogen 3.285 N/A GLY 177.A N GLY 174.A O no hydrogen 3.355 N/A VAL 178.A N GLY 176.A O no hydrogen 3.230 N/A ASP 179.A N VAL 156.A O no hydrogen 2.804 N/A LEU 180.A N VAL 156.A O no hydrogen 3.420 N/A THR 181.A OG1 SER 184.A OG no hydrogen 2.775 N/A SER 184.A OG THR 181.A O no hydrogen 3.135 N/A SER 184.A OG THR 181.A OG1 no hydrogen 2.775 N/A LEU 186.A N LEU 183.A O no hydrogen 3.348 N/A THR 187.A N GLN 190.A OE1 no hydrogen 3.183 N/A THR 187.A OG1 GLU 234.A OE1 no hydrogen 3.059 N/A LYS 188.A N ASP 230.A OD1 no hydrogen 2.769 N/A LYS 188.A NZ ASP 52.A OD1 no hydrogen 3.057 N/A LYS 188.A NZ ASP 52.A OD2 no hydrogen 3.200 N/A ARG 189.A N ASP 230.A OD2 no hydrogen 3.125 N/A ARG 189.A NE GLU 234.A OE1 no hydrogen 2.797 N/A ARG 189.A NE GLU 234.A OE2 no hydrogen 2.977 N/A ARG 189.A NH2 GLU 234.A OE2 no hydrogen 3.484 N/A GLN 190.A N THR 187.A OG1 no hydrogen 3.391 N/A GLN 190.A NE2 GLN 15.A O no hydrogen 2.595 N/A GLN 190.A NE2 PRO 16.A O no hydrogen 3.492 N/A GLY 191.A N THR 187.A O no hydrogen 3.106 N/A GLN 193.A N ARG 189.A O no hydrogen 3.175 N/A LEU 194.A N GLN 190.A O no hydrogen 3.289 N/A LEU 195.A N GLY 191.A O no hydrogen 3.256 N/A ALA 196.A N ALA 192.A O no hydrogen 2.908 N/A HIS 197.A N GLN 193.A O no hydrogen 2.897 N/A LEU 198.A N LEU 194.A O no hydrogen 2.832 N/A GLY 199.A N ALA 196.A O no hydrogen 2.995 N/A ALA 200.A N LEU 195.A O no hydrogen 2.943 N/A THR 204.A N PRO 201.A O no hydrogen 2.826 N/A TRP 205.A N GLU 202.A O no hydrogen 3.168 N/A ARG 206.A N GLU 202.A O no hydrogen 2.903 N/A LYS 207.A N TRP 205.A O no hydrogen 2.851 N/A LYS 207.A NZ GLY 49.A O no hydrogen 2.607 N/A LYS 207.A NZ ASP 91.A OD1 no hydrogen 3.333 N/A ASP 218.A N PRO 209.A O no hydrogen 2.926 N/A VAL 220.A N PRO 217.A O no hydrogen 3.062 N/A ALA 221.A N PRO 217.A O no hydrogen 3.085 N/A LEU 222.A N ASP 218.A O no hydrogen 3.076 N/A GLY 223.A N GLU 219.A O no hydrogen 2.961 N/A TYR 226.A N GLU 219.A OE2 no hydrogen 3.183 N/A TYR 226.A OH ASP 218.A OD2 no hydrogen 2.964 N/A GLN 228.A N THR 225.A OG1 no hydrogen 3.419 N/A ILE 229.A N THR 225.A O no hydrogen 3.123 N/A ASP 230.A N TYR 226.A O no hydrogen 2.726 N/A ALA 231.A N ALA 227.A O no hydrogen 2.951 N/A TYR 232.A N GLN 228.A O no hydrogen 2.790 N/A TYR 232.A OH GLU 247.A OE2 no hydrogen 3.059 N/A LEU 233.A N ILE 229.A O no hydrogen 2.906 N/A GLU 234.A N ASP 230.A O no hydrogen 2.833 N/A GLY 235.A N TYR 232.A O no hydrogen 3.280 N/A ARG 236.A N ALA 231.A O no hydrogen 2.660 N/A ARG 236.A NE GLU 234.A OE2 no hydrogen 2.857 N/A ARG 236.A NH2 PRO 16.A O no hydrogen 3.373 N/A ARG 236.A NH2 ASP 17.A OD1 no hydrogen 3.360 N/A GLU 241.A N SER 239.A OG no hydrogen 3.241 N/A ALA 243.A N SER 239.A O no hydrogen 3.042 N/A ALA 244.A N ASP 240.A O no hydrogen 3.160 N/A ARG 245.A N GLU 241.A O no hydrogen 3.266 N/A ARG 245.A NH1 GLY 223.A O no hydrogen 3.161 N/A LEU 246.A N ALA 242.A O no hydrogen 3.178 N/A LEU 246.A N ALA 243.A O no hydrogen 3.282 N/A GLU 247.A N ALA 243.A O no hydrogen 3.020 N/A ARG 248.A N ALA 244.A O no hydrogen 3.122 N/A LEU 249.A N ARG 245.A O no hydrogen 3.385 N/A PHE 250.A N LEU 246.A O no hydrogen 3.022 N/A LEU 251.A N GLU 247.A O no hydrogen 2.886 N/A ASN 252.A N ARG 248.A O no hydrogen 2.814 N/A SER 253.A N PHE 250.A O no hydrogen 3.216 N/A SER 253.A OG LEU 249.A O no hydrogen 2.498 N/A SER 253.A OG PHE 250.A O no hydrogen 3.340 N/A ARG 254.A NE LEU 251.A O no hydrogen 2.724 N/A LYS 256.A N SER 253.A O no hydrogen 3.117 N/A LYS 256.A NZ GLY 168.A O no hydrogen 3.367 N/A LYS 256.A NZ TYR 170.A O no hydrogen 3.055 N/A ARG 257.A N ARG 254.A O no hydrogen 3.078 N/A ARG 257.A NH1 SER 253.A OG no hydrogen 2.789 N/A ARG 257.A NH2 PHE 250.A O no hydrogen 2.775 N/A THR 262.A N ASP 265.A OD2 no hydrogen 3.021 N/A THR 262.A OG1 ASP 265.A OD2 no hydrogen 3.080 N/A PHE 264.A N THR 262.A OG1 no hydrogen 3.415 N/A ASP 265.A N THR 262.A O no hydrogen 2.844 N/A