Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bcq_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N ASP 2.A OD1 no hydrogen 2.495 N/A ILE 7.A N TYR 3.A O no hydrogen 2.870 N/A HIS 8.A N HIS 4.A O no hydrogen 3.387 N/A THR 9.A N GLU 5.A O no hydrogen 3.233 N/A THR 9.A OG1 GLU 5.A O no hydrogen 3.243 N/A TYR 10.A N ASP 6.A O no hydrogen 3.194 N/A LEU 11.A N ILE 7.A O no hydrogen 2.930 N/A ARG 12.A N HIS 8.A O no hydrogen 3.249 N/A ARG 12.A NH1 THR 203.A O no hydrogen 3.449 N/A GLU 13.A N TYR 10.A O no hydrogen 3.134 N/A MET 14.A N TYR 10.A O no hydrogen 3.161 N/A GLU 15.A N LEU 11.A O no hydrogen 3.203 N/A CYS 18.A N MET 14.A O no hydrogen 3.087 N/A CYS 18.A SG MET 14.A O no hydrogen 3.786 N/A TYR 24.A OH ASP 65.A OD1 no hydrogen 2.861 N/A LYS 27.A N TYR 24.A O no hydrogen 3.039 N/A GLN 28.A N MET 25.A O no hydrogen 3.310 N/A GLN 28.A NE2 LEU 68.A O no hydrogen 3.199 N/A GLN 28.A NE2 MET 71.A O no hydrogen 2.858 N/A ARG 36.A N THR 32.A O no hydrogen 3.421 N/A ARG 36.A NE ASP 65.A OD1 no hydrogen 3.256 N/A ARG 36.A NH1 LEU 164.A O no hydrogen 3.149 N/A ARG 36.A NH2 ASP 65.A OD2 no hydrogen 3.108 N/A ARG 36.A NH2 LEU 164.A O no hydrogen 3.440 N/A ALA 37.A N ASN 33.A O no hydrogen 3.256 N/A LEU 39.A N MET 35.A O no hydrogen 3.277 N/A VAL 40.A N ARG 36.A O no hydrogen 3.192 N/A ASP 41.A N ALA 37.A O no hydrogen 3.218 N/A TRP 42.A N ILE 38.A O no hydrogen 3.276 N/A LEU 43.A N LEU 39.A O no hydrogen 3.149 N/A VAL 44.A N VAL 40.A O no hydrogen 3.145 N/A VAL 46.A N TRP 42.A O no hydrogen 3.237 N/A GLY 47.A N LEU 43.A O no hydrogen 3.168 N/A GLU 48.A N GLU 45.A O no hydrogen 3.153 N/A GLU 49.A N GLU 45.A O no hydrogen 3.139 N/A TYR 50.A N VAL 46.A O no hydrogen 3.290 N/A LEU 52.A N GLY 47.A O no hydrogen 2.885 N/A GLN 53.A N GLU 94.A OE2 no hydrogen 2.895 N/A THR 56.A OG1 GLU 94.A OE2 no hydrogen 3.047 N/A HIS 58.A N ASN 54.A O no hydrogen 3.398 N/A HIS 58.A ND1 ASN 54.A O no hydrogen 2.889 N/A LEU 59.A N GLU 55.A O no hydrogen 3.053 N/A ALA 60.A N THR 56.A O no hydrogen 3.254 N/A VAL 61.A N LEU 57.A O no hydrogen 3.414 N/A ASN 62.A N HIS 58.A O no hydrogen 3.400 N/A ASN 62.A ND2 CYS 18.A O no hydrogen 3.617 N/A TYR 63.A N LEU 59.A O no hydrogen 3.192 N/A TYR 63.A OH LEU 131.A O no hydrogen 3.049 N/A ILE 64.A N ALA 60.A O no hydrogen 3.179 N/A ASP 65.A N VAL 61.A O no hydrogen 3.178 N/A ARG 66.A N ASN 62.A O no hydrogen 3.354 N/A ARG 66.A NH1 ASN 62.A OD1 no hydrogen 2.976 N/A ARG 66.A NH1 ASP 130.A O no hydrogen 3.570 N/A ARG 66.A NH2 ASP 130.A O no hydrogen 3.006 N/A PHE 67.A N TYR 63.A O no hydrogen 3.099 N/A LEU 68.A N ILE 64.A O no hydrogen 3.099 N/A SER 69.A N ARG 66.A O no hydrogen 3.317 N/A SER 69.A OG ASP 65.A O no hydrogen 2.786 N/A SER 70.A N PHE 67.A O no hydrogen 3.112 N/A MET 71.A N PHE 67.A O no hydrogen 3.160 N/A VAL 73.A N GLN 28.A OE1 no hydrogen 3.385 N/A ARG 75.A N ASP 30.A OD2 no hydrogen 3.168 N/A ARG 75.A NE ASP 30.A OD1 no hydrogen 3.313 N/A ARG 75.A NE ASP 30.A OD2 no hydrogen 3.472 N/A ARG 75.A NH2 ASP 30.A OD1 no hydrogen 2.770 N/A LYS 77.A N LEU 74.A O no hydrogen 3.146 N/A GLY 82.A N LEU 78.A O no hydrogen 3.484 N/A THR 83.A N GLN 79.A O no hydrogen 3.108 N/A THR 83.A OG1 GLN 79.A O no hydrogen 3.037 N/A ALA 84.A N LEU 80.A O no hydrogen 3.432 N/A ALA 85.A N VAL 81.A O no hydrogen 3.273 N/A MET 86.A N GLY 82.A O no hydrogen 3.160 N/A LEU 87.A N THR 83.A O no hydrogen 3.245 N/A LEU 88.A N ALA 84.A O no hydrogen 3.138 N/A ALA 89.A N ALA 85.A O no hydrogen 3.166 N/A SER 90.A N MET 86.A O no hydrogen 3.276 N/A SER 90.A N LEU 87.A O no hydrogen 3.248 N/A SER 90.A OG MET 86.A O no hydrogen 2.909 N/A LYS 91.A N LEU 87.A O no hydrogen 3.201 N/A LYS 91.A NZ GLU 120.A OE2 no hydrogen 3.244 N/A PHE 92.A N LEU 88.A O no hydrogen 3.257 N/A GLU 93.A N ALA 89.A O no hydrogen 3.267 N/A GLU 94.A N SER 90.A O no hydrogen 2.940 N/A GLU 102.A N GLU 99.A O no hydrogen 3.089 N/A PHE 103.A N VAL 100.A O no hydrogen 3.021 N/A VAL 104.A N VAL 100.A O no hydrogen 3.148 N/A TYR 105.A N ALA 101.A O no hydrogen 3.266 N/A ILE 106.A N GLU 102.A O no hydrogen 3.453 N/A THR 107.A OG1 VAL 104.A O no hydrogen 2.845 N/A ASP 108.A N TYR 105.A O no hydrogen 2.981 N/A THR 110.A OG1 THR 107.A O no hydrogen 2.752 N/A TYR 111.A OH GLY 76.A O no hydrogen 3.035 N/A THR 112.A N GLN 115.A OE1 no hydrogen 3.244 N/A GLN 115.A N THR 112.A OG1 no hydrogen 3.372 N/A VAL 116.A N THR 112.A O no hydrogen 3.370 N/A LEU 117.A N LYS 113.A O no hydrogen 3.189 N/A ARG 118.A N LYS 114.A O no hydrogen 3.301 N/A MET 119.A N GLN 115.A O no hydrogen 3.146 N/A GLU 120.A N VAL 116.A O no hydrogen 3.186 N/A LEU 122.A N ARG 118.A O no hydrogen 3.326 N/A VAL 123.A N MET 119.A O no hydrogen 3.164 N/A LEU 124.A N GLU 120.A O no hydrogen 3.407 N/A LYS 125.A N HIS 121.A O no hydrogen 3.333 N/A VAL 126.A N LEU 122.A O no hydrogen 3.075 N/A LEU 127.A N VAL 123.A O no hydrogen 3.141 N/A THR 128.A N LYS 125.A O no hydrogen 3.086 N/A THR 128.A OG1 LEU 127.A O no hydrogen 2.604 N/A THR 128.A OG1 ASP 130.A OD2 no hydrogen 3.023 N/A PHE 129.A N LEU 124.A O no hydrogen 3.139 N/A ASP 130.A N LEU 127.A O no hydrogen 3.245 N/A ALA 133.A N LEU 131.A O no hydrogen 2.994 N/A THR 135.A OG1 GLU 55.A OE1 no hydrogen 3.009 N/A THR 135.A OG1 GLU 55.A OE2 no hydrogen 3.541 N/A ASN 137.A ND2 GLU 55.A OE1 no hydrogen 2.732 N/A GLN 138.A N THR 135.A OG1 no hydrogen 3.175 N/A GLN 138.A NE2 GLU 55.A OE2 no hydrogen 2.929 N/A GLN 138.A NE2 ALA 133.A O no hydrogen 3.219 N/A LEU 140.A N VAL 136.A O no hydrogen 3.274 N/A THR 141.A N ASN 137.A O no hydrogen 3.437 N/A THR 141.A OG1 GLN 138.A O no hydrogen 3.190 N/A TYR 143.A N PHE 139.A O no hydrogen 3.262 N/A TYR 143.A OH SER 176.A O no hydrogen 3.389 N/A PHE 144.A N LEU 140.A O no hydrogen 3.120 N/A LEU 145.A N GLN 142.A O no hydrogen 3.434 N/A HIS 146.A N TYR 143.A O no hydrogen 3.221 N/A GLN 147.A NE2 ASN 149.A O no hydrogen 3.592 N/A LYS 151.A N ASN 149.A OD1 no hydrogen 2.848 N/A SER 154.A OG CYS 150.A O no hydrogen 3.347 N/A SER 154.A OG HIS 242.A ND1 no hydrogen 3.427 N/A LEU 155.A N LYS 151.A O no hydrogen 3.232 N/A ALA 156.A N VAL 152.A O no hydrogen 3.099 N/A MET 157.A N GLU 153.A O no hydrogen 3.240 N/A PHE 158.A N SER 154.A O no hydrogen 3.163 N/A LEU 159.A N LEU 155.A O no hydrogen 3.218 N/A GLY 160.A N ALA 156.A O no hydrogen 3.322 N/A GLU 161.A N MET 157.A O no hydrogen 3.174 N/A LEU 162.A N PHE 158.A O no hydrogen 3.317 N/A SER 163.A OG GLY 160.A O no hydrogen 2.571 N/A LEU 164.A N GLU 161.A O no hydrogen 3.212 N/A ILE 165.A N LEU 162.A O no hydrogen 3.364 N/A TYR 170.A OH THR 220.A OG1 no hydrogen 2.688 N/A LEU 171.A N ALA 167.A O no hydrogen 3.088 N/A TYR 173.A OH ASP 216.A OD2 no hydrogen 2.959 N/A SER 176.A OG GLU 15.A OE2 no hydrogen 3.093 N/A SER 176.A OG TYR 205.A OH no hydrogen 2.940 N/A VAL 177.A N LEU 174.A O no hydrogen 3.002 N/A ILE 178.A N LEU 174.A O no hydrogen 3.062 N/A ALA 179.A N PRO 175.A O no hydrogen 2.995 N/A ALA 180.A N SER 176.A O no hydrogen 3.216 N/A ALA 181.A N VAL 177.A O no hydrogen 3.241 N/A ALA 182.A N ILE 178.A O no hydrogen 3.171 N/A PHE 183.A N ALA 179.A O no hydrogen 3.096 N/A HIS 184.A N ALA 180.A O no hydrogen 3.346 N/A LEU 185.A N ALA 181.A O no hydrogen 3.131 N/A ALA 186.A N ALA 182.A O no hydrogen 3.305 N/A LEU 187.A N PHE 183.A O no hydrogen 3.028 N/A TYR 188.A N HIS 184.A O no hydrogen 3.094 N/A THR 189.A N LEU 185.A O no hydrogen 3.267 N/A THR 189.A OG1 LEU 185.A O no hydrogen 2.826 N/A VAL 190.A N ALA 186.A O no hydrogen 3.252 N/A THR 191.A N LEU 187.A O no hydrogen 3.284 N/A THR 191.A OG1 LEU 187.A O no hydrogen 2.845 N/A GLY 192.A N LEU 187.A O no hydrogen 3.077 N/A GLN 193.A N THR 191.A OG1 no hydrogen 3.259 N/A TRP 195.A N HIS 184.A ND1 no hydrogen 3.104 N/A TRP 195.A NE1 TYR 205.A O no hydrogen 2.960 N/A ARG 201.A N GLU 197.A O no hydrogen 3.238 N/A ARG 201.A NH1 SER 198.A O no hydrogen 3.392 N/A LYS 202.A N SER 198.A O no hydrogen 3.175 N/A LYS 202.A N LEU 199.A O no hydrogen 3.247 N/A THR 203.A N LEU 199.A O no hydrogen 2.819 N/A THR 203.A OG1 LEU 199.A O no hydrogen 2.825 N/A GLY 204.A N ILE 200.A O no hydrogen 3.067 N/A TYR 205.A N THR 203.A OG1 no hydrogen 2.971 N/A TYR 205.A OH SER 176.A OG no hydrogen 2.940 N/A THR 206.A N SER 209.A OG no hydrogen 2.836 N/A THR 206.A OG1 SER 209.A OG no hydrogen 3.348 N/A SER 209.A N THR 206.A O no hydrogen 3.102 N/A SER 209.A N THR 206.A OG1 no hydrogen 3.305 N/A SER 209.A OG THR 206.A O no hydrogen 2.561 N/A SER 209.A OG THR 206.A OG1 no hydrogen 3.348 N/A LYS 211.A N GLU 208.A O no hydrogen 3.343 N/A LEU 214.A N LEU 210.A O no hydrogen 2.885 N/A LEU 215.A N LYS 211.A O no hydrogen 3.119 N/A LEU 217.A N MET 213.A O no hydrogen 3.215 N/A HIS 218.A N LEU 214.A O no hydrogen 3.066 N/A THR 220.A N ASP 216.A O no hydrogen 3.441 N/A THR 220.A OG1 TYR 170.A OH no hydrogen 2.688 N/A THR 220.A OG1 ASP 216.A O no hydrogen 3.317 N/A TYR 221.A N LEU 217.A O no hydrogen 3.269 N/A LEU 222.A N HIS 218.A O no hydrogen 3.446 N/A LYS 223.A N GLN 219.A O no hydrogen 3.231 N/A GLN 226.A N LYS 223.A O no hydrogen 3.261 N/A HIS 227.A N ALA 224.A O no hydrogen 3.150 N/A GLN 229.A N HIS 227.A ND1 no hydrogen 2.963 N/A GLN 230.A NE2 ALA 224.A O no hydrogen 3.461 N/A GLN 230.A NE2 HIS 227.A O no hydrogen 2.610 N/A SER 231.A N ASP 41.A OD2 no hydrogen 3.316 N/A SER 231.A OG ASP 41.A OD1 no hydrogen 2.664 N/A SER 231.A OG GLU 45.A OE2 no hydrogen 3.384 N/A ARG 233.A NH1 GLN 230.A OE1 no hydrogen 3.050 N/A GLU 234.A N GLN 230.A O no hydrogen 3.485 N/A LYS 235.A NZ GLU 161.A OE2 no hydrogen 3.399 N/A TYR 236.A N ILE 232.A O no hydrogen 3.238 N/A TYR 236.A OH GLU 161.A OE1 no hydrogen 2.803 N/A LYS 237.A N GLU 234.A O no hydrogen 3.359 N/A SER 239.A OG ASN 238.A OD1 no hydrogen 3.528 N/A LYS 240.A NZ TYR 241.A OH no hydrogen 3.051 N/A TYR 241.A N ASN 238.A O no hydrogen 3.047 N/A HIS 242.A N SER 239.A O no hydrogen 3.025 N/A GLY 243.A N ASN 238.A O no hydrogen 3.196 N/A SER 245.A N TYR 236.A O no hydrogen 3.410 N/A SER 245.A OG ARG 233.A O no hydrogen 2.978 N/A