Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nio_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A NE2 LEU 2.A O no hydrogen 3.408 N/A GLN 4.A NE2 PHE 80.A O no hydrogen 3.309 N/A LEU 6.A N ARG 22.A O no hydrogen 3.456 N/A GLY 7.A N GLU 10.A OE2 no hydrogen 3.123 N/A GLU 10.A N GLY 7.A O no hydrogen 3.272 N/A MET 11.A N GLY 7.A O no hydrogen 3.310 N/A ARG 13.A NH1 VAL 66.A O no hydrogen 3.133 N/A GLY 15.A N PRO 12.A O no hydrogen 3.044 N/A THR 19.A N ILE 17.A O no hydrogen 3.265 N/A THR 19.A OG1 LEU 23.A O no hydrogen 2.774 N/A MET 20.A N ASP 87.A OD2 no hydrogen 3.270 N/A MET 21.A N SER 65.A OG no hydrogen 3.255 N/A ARG 22.A N THR 19.A O no hydrogen 3.296 N/A ARG 22.A NH1 MET 11.A O no hydrogen 3.268 N/A ARG 22.A NH1 PRO 12.A O no hydrogen 3.391 N/A ARG 22.A NH1 GLY 15.A O no hydrogen 3.211 N/A ARG 22.A NH2 LEU 6.A O no hydrogen 3.065 N/A ARG 22.A NH2 MET 11.A O no hydrogen 3.285 N/A LEU 23.A N MET 20.A O no hydrogen 3.258 N/A VAL 26.A N ASP 87.A O no hydrogen 3.202 N/A SER 28.A OG GLU 31.A OE2 no hydrogen 3.162 N/A GLU 31.A N SER 28.A OG no hydrogen 3.410 N/A LEU 32.A N SER 28.A O no hydrogen 3.064 N/A ASP 33.A N PRO 29.A O no hydrogen 3.338 N/A LEU 35.A N LEU 32.A O no hydrogen 3.515 N/A ASP 36.A N ASN 84.A O no hydrogen 3.085 N/A ALA 37.A N ASN 84.A O no hydrogen 3.511 N/A ALA 38.A N LEU 118.A O no hydrogen 3.339 N/A PHE 39.A N ALA 86.A O no hydrogen 3.225 N/A VAL 40.A N LEU 120.A O no hydrogen 3.342 N/A GLY 41.A N GLY 89.A O no hydrogen 3.312 N/A VAL 42.A N LEU 122.A O no hydrogen 3.060 N/A LEU 44.A N VAL 42.A O no hydrogen 3.237 N/A THR 48.A OG1 ASP 45.A O no hydrogen 3.055 N/A SER 49.A OG HIS 161.A NE2 no hydrogen 3.225 N/A ARG 51.A NH1 THR 245.A O no hydrogen 3.368 N/A GLY 53.A N ASP 45.A OD2 no hydrogen 3.246 N/A THR 54.A OG1 VAL 278.A O no hydrogen 3.010 N/A ARG 55.A NE ASP 45.A OD1 no hydrogen 3.163 N/A ARG 55.A NE ASP 45.A OD2 no hydrogen 3.107 N/A ARG 55.A NH2 ASP 45.A OD1 no hydrogen 3.110 N/A PHE 56.A N GLY 53.A O no hydrogen 3.378 N/A GLY 57.A N THR 54.A O no hydrogen 3.229 N/A GLU 60.A N PHE 56.A O no hydrogen 3.470 N/A ILE 61.A N GLY 57.A O no hydrogen 3.307 N/A ARG 62.A N PRO 58.A O no hydrogen 3.482 N/A ARG 62.A NE ASP 87.A OD2 no hydrogen 3.381 N/A ARG 62.A NH1 ASP 90.A OD1 no hydrogen 3.222 N/A ARG 62.A NH2 ASP 87.A OD1 no hydrogen 3.391 N/A ARG 62.A NH2 ASP 90.A OD1 no hydrogen 3.464 N/A ALA 63.A N ARG 59.A O no hydrogen 3.408 N/A GLU 64.A N GLU 60.A O no hydrogen 3.280 N/A SER 65.A OG ARG 62.A O no hydrogen 2.748 N/A ILE 68.A N SER 65.A O no hydrogen 3.408 N/A TYR 71.A OH ARG 309.A O no hydrogen 3.092 N/A ASN 72.A N ALA 77.A O no hydrogen 3.405 N/A GLY 76.A N ASN 72.A O no hydrogen 2.952 N/A ALA 78.A N VAL 307.A O no hydrogen 3.175 N/A ASP 81.A N ALA 78.A O no hydrogen 3.359 N/A SER 82.A N PRO 79.A O no hydrogen 3.254 N/A SER 82.A OG GLY 305.A O no hydrogen 2.744 N/A LEU 83.A N PRO 79.A O no hydrogen 3.054 N/A ASN 84.A N ASP 36.A OD2 no hydrogen 3.213 N/A ASP 87.A N PRO 24.A O no hydrogen 3.313 N/A ILE 88.A N PHE 39.A O no hydrogen 3.325 N/A GLY 89.A N ASP 87.A OD1 no hydrogen 3.088 N/A VAL 91.A N GLY 41.A O no hydrogen 3.138 N/A PHE 96.A N ASN 94.A OD1 no hydrogen 3.004 N/A GLU 100.A N ASN 97.A OD1 no hydrogen 3.244 N/A ALA 101.A N ASN 97.A O no hydrogen 3.260 N/A VAL 102.A N LEU 98.A O no hydrogen 3.221 N/A ARG 103.A NE GLU 100.A OE1 no hydrogen 3.426 N/A ARG 103.A NH2 GLU 100.A OE2 no hydrogen 2.984 N/A ILE 104.A N GLU 100.A O no hydrogen 3.320 N/A ILE 105.A N ALA 101.A O no hydrogen 3.289 N/A GLN 107.A N ARG 103.A O no hydrogen 3.441 N/A GLU 108.A N ILE 104.A O no hydrogen 3.307 N/A TYR 109.A N ILE 105.A O no hydrogen 3.279 N/A TYR 109.A OH THR 121.A OG1 no hydrogen 3.040 N/A ASP 110.A N GLU 106.A O no hydrogen 3.242 N/A ILE 112.A N GLU 108.A O no hydrogen 3.229 N/A LEU 113.A N TYR 109.A O no hydrogen 3.248 N/A HIS 115.A N ILE 112.A O no hydrogen 3.258 N/A HIS 115.A ND1 ASP 33.A OD1 no hydrogen 2.761 N/A GLY 116.A N LEU 113.A O no hydrogen 3.346 N/A LEU 118.A N ASP 36.A O no hydrogen 3.501 N/A LEU 120.A N ALA 38.A O no hydrogen 3.069 N/A THR 121.A N CYS 273.A O no hydrogen 3.233 N/A THR 121.A OG1 TYR 109.A OH no hydrogen 3.040 N/A LEU 122.A N VAL 40.A O no hydrogen 2.819 N/A GLY 123.A N LEU 275.A O no hydrogen 3.399 N/A GLY 124.A N THR 54.A OG1 no hydrogen 3.307 N/A ASP 125.A N LEU 44.A O no hydrogen 3.181 N/A HIS 126.A N GLU 277.A OE2 no hydrogen 3.344 N/A THR 127.A N ASP 125.A OD1 no hydrogen 2.923 N/A THR 127.A OG1 ASP 125.A OD1 no hydrogen 2.818 N/A ILE 128.A N ASP 125.A O no hydrogen 3.373 N/A THR 129.A OG1 ASP 274.A OD2 no hydrogen 3.428 N/A LEU 130.A N THR 127.A O no hydrogen 3.425 N/A LEU 133.A N THR 129.A O no hydrogen 3.207 N/A ARG 134.A N LEU 130.A O no hydrogen 3.247 N/A ARG 134.A NE GLU 171.A OE1 no hydrogen 3.205 N/A ARG 134.A NH2 GLU 171.A OE2 no hydrogen 3.243 N/A ALA 135.A N ILE 132.A O no hydrogen 3.214 N/A ILE 136.A N ILE 132.A O no hydrogen 3.159 N/A LYS 137.A NZ GLU 106.A OE2 no hydrogen 3.150 N/A LYS 137.A NZ ASP 110.A OD2 no hydrogen 3.140 N/A GLY 141.A N PRO 227.A O no hydrogen 3.092 N/A LEU 142.A N ARG 178.A O no hydrogen 3.241 N/A VAL 143.A N TYR 229.A O no hydrogen 3.175 N/A HIS 144.A N VAL 180.A O no hydrogen 3.159 N/A VAL 145.A N SER 231.A O no hydrogen 3.241 N/A ASP 146.A N ILE 182.A O no hydrogen 3.272 N/A ALA 147.A N ASP 235.A OD1 no hydrogen 3.444 N/A HIS 148.A N ASP 146.A OD1 no hydrogen 2.737 N/A HIS 148.A NE2 GLU 249.A OE2 no hydrogen 3.292 N/A ASN 152.A N GLY 162.A O no hydrogen 3.119 N/A MET 155.A N GLU 158.A O no hydrogen 3.104 N/A GLY 157.A N HIS 154.A ND1 no hydrogen 3.311 N/A GLU 158.A N MET 155.A O no hydrogen 3.100 N/A ALA 160.A N THR 163.A OG1 no hydrogen 3.309 N/A HIS 161.A NE2 SER 49.A OG no hydrogen 3.225 N/A THR 163.A N ALA 160.A O no hydrogen 3.231 N/A THR 163.A OG1 ALA 160.A O no hydrogen 3.333 N/A THR 164.A OG1 HIS 126.A O no hydrogen 3.086 N/A PHE 165.A N ASP 150.A O no hydrogen 3.436 N/A ARG 166.A N THR 163.A O no hydrogen 3.195 N/A ARG 167.A N THR 163.A O no hydrogen 3.369 N/A ARG 167.A NH2 ASP 153.A O no hydrogen 2.763 N/A ALA 168.A N THR 164.A O no hydrogen 3.352 N/A GLU 170.A N ARG 166.A O no hydrogen 3.350 N/A GLU 171.A N ARG 167.A O no hydrogen 3.025 N/A ASP 172.A N VAL 169.A O no hydrogen 3.331 N/A LEU 173.A N ALA 168.A O no hydrogen 3.261 N/A ASP 175.A N VAL 140.A O no hydrogen 3.185 N/A ARG 178.A N ASP 175.A O no hydrogen 3.060 N/A ARG 178.A NE ASP 175.A OD2 no hydrogen 3.002 N/A ARG 178.A NH1 VAL 223.A O no hydrogen 2.920 N/A ARG 178.A NH1 PRO 227.A O no hydrogen 3.431 N/A VAL 180.A N LEU 142.A O no hydrogen 3.273 N/A GLN 181.A N ARG 202.A O no hydrogen 3.101 N/A GLN 181.A NE2 HIS 144.A ND1 no hydrogen 3.260 N/A GLN 181.A NE2 ALA 149.A O no hydrogen 3.576 N/A ILE 182.A N HIS 144.A O no hydrogen 2.988 N/A GLY 183.A N VAL 204.A O no hydrogen 2.970 N/A ARG 185.A N ALA 147.A O no hydrogen 3.473 N/A ARG 185.A NE ILE 250.A O no hydrogen 3.340 N/A ARG 185.A NH1 GLY 183.A O no hydrogen 3.258 N/A ARG 185.A NH1 GLY 236.A O no hydrogen 3.311 N/A ARG 185.A NH2 ASP 235.A O no hydrogen 3.304 N/A ARG 185.A NH2 GLU 249.A O no hydrogen 3.122 N/A TYR 189.A N ASP 193.A OD2 no hydrogen 3.016 N/A THR 190.A N ASP 193.A OD2 no hydrogen 3.084 N/A ASP 193.A N THR 190.A O no hydrogen 3.426 N/A ASN 195.A N ALA 191.A O no hydrogen 3.383 N/A TRP 196.A N GLU 192.A O no hydrogen 3.114 N/A SER 197.A OG GLN 181.A OE1 no hydrogen 3.557 N/A ARG 198.A NH1 ASN 195.A OD1 no hydrogen 3.117 N/A ARG 198.A NH2 GLN 205.A OE1 no hydrogen 3.459 N/A GLY 200.A N ARG 198.A O no hydrogen 3.308 N/A PHE 201.A N SER 197.A O no hydrogen 3.433 N/A ARG 202.A N VAL 179.A O no hydrogen 3.285 N/A ARG 202.A NH1 GLU 219.A OE1 no hydrogen 3.213 N/A ARG 202.A NH2 GLU 219.A OE1 no hydrogen 3.481 N/A VAL 204.A N GLN 181.A O no hydrogen 3.018 N/A ALA 206.A N LEU 184.A O no hydrogen 3.214 N/A GLU 207.A N GLU 207.A OE1 no hydrogen 2.941 N/A GLU 208.A N GLN 205.A O no hydrogen 3.029 N/A CYS 209.A N ALA 206.A O no hydrogen 2.902 N/A LEU 213.A N GLU 260.A OE1 no hydrogen 3.190 N/A MET 217.A N LEU 213.A O no hydrogen 3.329 N/A VAL 220.A N LEU 216.A O no hydrogen 3.161 N/A ARG 221.A N MET 217.A O no hydrogen 3.215 N/A ARG 221.A NH1 GLY 264.A O no hydrogen 3.079 N/A GLY 224.A N ARG 221.A O no hydrogen 3.201 N/A VAL 228.A N ASP 269.A O no hydrogen 3.245 N/A TYR 229.A N GLY 141.A O no hydrogen 3.158 N/A TYR 229.A OH ASP 274.A OD2 no hydrogen 2.839 N/A LEU 230.A N GLY 272.A O no hydrogen 3.257 N/A SER 231.A N VAL 143.A O no hydrogen 3.206 N/A SER 231.A OG ASP 274.A OD1 no hydrogen 2.932 N/A PHE 232.A N ASP 274.A O no hydrogen 3.140 N/A ASP 233.A N VAL 145.A O no hydrogen 3.093 N/A ILE 234.A N VAL 276.A O no hydrogen 3.326 N/A ASP 235.A N ASP 233.A OD1 no hydrogen 3.139 N/A GLY 236.A N ASP 233.A O no hydrogen 3.276 N/A ILE 237.A N ILE 234.A O no hydrogen 3.285 N/A ASP 238.A N LEU 253.A O no hydrogen 3.062 N/A ALA 240.A N ASP 238.A OD1 no hydrogen 3.125 N/A TRP 241.A N ASP 238.A O no hydrogen 3.044 N/A ALA 242.A N ASP 238.A O no hydrogen 3.340 N/A THR 245.A N PRO 243.A O no hydrogen 3.033 N/A THR 245.A OG1 GLU 277.A O no hydrogen 3.023 N/A GLY 252.A N ASP 238.A OD2 no hydrogen 3.076 N/A LEU 253.A N GLY 236.A O no hydrogen 3.529 N/A THR 254.A N GLN 257.A OE1 no hydrogen 3.177 N/A GLN 257.A N THR 254.A OG1 no hydrogen 3.259 N/A GLN 257.A NE2 CYS 209.A O no hydrogen 3.258 N/A ALA 258.A N THR 254.A O no hydrogen 3.129 N/A MET 259.A N THR 255.A O no hydrogen 3.195 N/A GLU 260.A N ILE 256.A O no hydrogen 3.205 N/A ILE 261.A N GLN 257.A O no hydrogen 3.251 N/A ILE 262.A N ALA 258.A O no hydrogen 3.457 N/A ARG 263.A N MET 259.A O no hydrogen 3.247 N/A ARG 263.A NE GLU 298.A OE1 no hydrogen 3.173 N/A ARG 263.A NH2 GLU 298.A OE2 no hydrogen 3.528 N/A CYS 265.A N ILE 262.A O no hydrogen 3.279 N/A CYS 265.A SG ILE 261.A O no hydrogen 3.852 N/A LEU 268.A N CYS 265.A O no hydrogen 3.347 N/A LEU 270.A N LEU 268.A O no hydrogen 3.107 N/A ILE 271.A N VAL 228.A O no hydrogen 3.154 N/A CYS 273.A N PRO 119.A O no hydrogen 3.488 N/A ASP 274.A N LEU 230.A O no hydrogen 3.108 N/A LEU 275.A N THR 121.A O no hydrogen 3.309 N/A VAL 276.A N PHE 232.A O no hydrogen 3.088 N/A GLU 277.A N GLY 124.A O no hydrogen 3.011 N/A SER 279.A N GLY 244.A O no hydrogen 3.002 N/A TYR 282.A N SER 279.A O no hydrogen 3.373 N/A ASP 283.A N PRO 280.A O no hydrogen 3.350 N/A THR 285.A N ASP 283.A OD1 no hydrogen 3.359 N/A THR 285.A OG1 ASP 283.A OD1 no hydrogen 3.135 N/A ASN 287.A N THR 285.A OG1 no hydrogen 3.336 N/A THR 288.A N ASP 283.A OD2 no hydrogen 3.176 N/A THR 288.A OG1 ASP 283.A OD2 no hydrogen 2.588 N/A SER 289.A OG GLU 60.A OE1 no hydrogen 2.578 N/A LEU 290.A N GLY 286.A O no hydrogen 3.188 N/A LEU 291.A N ASN 287.A O no hydrogen 3.153 N/A GLY 292.A N THR 288.A O no hydrogen 3.328 N/A ALA 293.A N SER 289.A O no hydrogen 3.308 N/A ASN 294.A N LEU 290.A O no hydrogen 3.464 N/A ASN 294.A ND2 LEU 290.A O no hydrogen 3.038 N/A LEU 295.A N LEU 291.A O no hydrogen 3.257 N/A LEU 296.A N GLY 292.A O no hydrogen 3.295 N/A TYR 297.A N ALA 293.A O no hydrogen 3.341 N/A TYR 297.A OH PRO 70.A O no hydrogen 3.018 N/A MET 299.A N LEU 295.A O no hydrogen 3.213 N/A LEU 300.A N LEU 296.A O no hydrogen 3.299 N/A CYS 301.A N TYR 297.A O no hydrogen 3.348 N/A CYS 301.A SG ASN 72.A OD1 no hydrogen 3.930 N/A CYS 301.A SG TYR 297.A O no hydrogen 3.546 N/A ARG 308.A NE THR 75.A O no hydrogen 3.312 N/A ARG 309.A N GLY 76.A O no hydrogen 2.839 N/A