Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5mpb_J.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N GLU 1.A O no hydrogen 3.066 N/A GLY 6.A N HIS 3.A O no hydrogen 3.340 N/A TYR 10.A N ILE 7.A O no hydrogen 3.072 N/A PHE 11.A N ILE 7.A O no hydrogen 3.421 N/A GLU 12.A N LYS 8.A O no hydrogen 3.172 N/A GLN 13.A N PRO 9.A O no hydrogen 3.233 N/A GLN 16.A N GLU 12.A O no hydrogen 2.858 N/A GLN 16.A NE2 GLU 12.A OE1 no hydrogen 3.079 N/A THR 18.A N LYS 14.A O no hydrogen 3.440 N/A THR 18.A OG1 LYS 14.A O no hydrogen 3.058 N/A GLU 19.A N ILE 15.A O no hydrogen 3.088 N/A LEU 20.A N GLN 16.A O no hydrogen 3.038 N/A LYS 21.A N GLU 17.A O no hydrogen 3.128 N/A ILE 22.A N THR 18.A O no hydrogen 3.336 N/A ARG 23.A N GLU 19.A O no hydrogen 3.179 N/A ARG 23.A N LEU 20.A O no hydrogen 3.217 N/A ARG 23.A NH1 GLU 19.A OE1 no hydrogen 3.560 N/A ARG 23.A NH2 GLU 19.A OE1 no hydrogen 3.054 N/A SER 24.A N LEU 20.A O no hydrogen 3.357 N/A LYS 25.A N LYS 21.A O no hydrogen 2.851 N/A THR 26.A N ILE 22.A O no hydrogen 2.969 N/A THR 26.A OG1 ILE 22.A O no hydrogen 2.904 N/A ASN 28.A N SER 24.A O no hydrogen 3.143 N/A VAL 29.A N LYS 25.A O no hydrogen 3.222 N/A ARG 30.A N THR 26.A O no hydrogen 3.420 N/A ARG 30.A NE THR 26.A O no hydrogen 3.174 N/A ARG 31.A N GLU 27.A O no hydrogen 3.161 N/A ARG 31.A NH1 ASN 28.A OD1 no hydrogen 3.476 N/A ARG 31.A NH2 ASN 28.A OD1 no hydrogen 3.532 N/A LEU 32.A N ASN 28.A O no hydrogen 3.195 N/A GLU 33.A N VAL 29.A O no hydrogen 3.260 N/A GLU 33.A N ARG 30.A O no hydrogen 3.103 N/A ALA 34.A N ARG 30.A O no hydrogen 3.258 N/A ALA 34.A N ARG 31.A O no hydrogen 3.272 N/A GLN 35.A N ARG 31.A O no hydrogen 3.387 N/A ARG 36.A N LEU 32.A O no hydrogen 3.053 N/A ARG 36.A NH1 ASN 37.A OD1 no hydrogen 3.267 N/A ASN 37.A N GLU 33.A O no hydrogen 2.901 N/A ALA 38.A N ALA 34.A O no hydrogen 3.191 N/A LEU 39.A N GLN 35.A O no hydrogen 3.397 N/A ASN 40.A N ARG 36.A O no hydrogen 3.029 N/A ASP 41.A N ASN 37.A O no hydrogen 2.921 N/A LYS 42.A N ALA 38.A O no hydrogen 3.292 N/A VAL 43.A N LEU 39.A O no hydrogen 3.201 N/A ARG 44.A N ASN 40.A O no hydrogen 3.450 N/A ARG 44.A NH1 ASP 41.A OD1 no hydrogen 3.069 N/A ARG 44.A NH2 ASP 41.A OD1 no hydrogen 2.724 N/A PHE 45.A N ASP 41.A O no hydrogen 3.301 N/A ILE 46.A N LYS 42.A O no hydrogen 3.360 N/A LYS 47.A N VAL 43.A O no hydrogen 3.110 N/A ASP 48.A N ARG 44.A O no hydrogen 2.889 N/A ASP 48.A N PHE 45.A O no hydrogen 2.955 N/A GLU 49.A N PHE 45.A O no hydrogen 3.077 N/A ARG 51.A N LYS 47.A O no hydrogen 3.339 N/A ARG 51.A N ASP 48.A O no hydrogen 3.158 N/A LEU 52.A N ASP 48.A O no hydrogen 3.223 N/A LEU 53.A N GLU 49.A O no hydrogen 3.328 N/A SER 58.A OG GLY 57.A O no hydrogen 3.064 N/A TYR 59.A N LEU 103.A O no hydrogen 2.953 N/A GLY 61.A N VAL 101.A O no hydrogen 3.091 N/A GLU 62.A N LYS 75.A O no hydrogen 2.904 N/A VAL 63.A N GLN 99.A O no hydrogen 2.984 N/A ILE 64.A N LEU 73.A O no hydrogen 2.920 N/A VAL 67.A N LYS 71.A O no hydrogen 3.389 N/A LYS 70.A N VAL 67.A O no hydrogen 3.251 N/A VAL 72.A N VAL 84.A O no hydrogen 3.206 N/A LEU 73.A N LYS 65.A O no hydrogen 3.169 N/A VAL 74.A N TYR 82.A O no hydrogen 3.031 N/A LYS 75.A N GLU 62.A O no hydrogen 3.120 N/A LYS 75.A NZ VAL 76.A O no hydrogen 2.815 N/A LYS 75.A NZ GLU 79.A O no hydrogen 2.706 N/A GLN 77.A N VAL 60.A O no hydrogen 3.377 N/A GLN 77.A NE2 LYS 75.A O no hydrogen 3.480 N/A TYR 82.A N VAL 74.A O no hydrogen 3.009 N/A VAL 84.A N VAL 72.A O no hydrogen 3.303 N/A ASN 91.A N ASP 94.A OD2 no hydrogen 3.112 N/A SER 98.A N VAL 63.A O no hydrogen 2.831 N/A GLN 99.A NE2 ARG 100.A O no hydrogen 2.817 N/A VAL 101.A N GLY 61.A O no hydrogen 3.140 N/A CYS 102.A N LYS 112.A O no hydrogen 2.977 N/A CYS 102.A SG TYR 59.A O no hydrogen 3.259 N/A CYS 102.A SG LEU 103.A O no hydrogen 3.723 N/A LEU 103.A N TYR 59.A O no hydrogen 2.866 N/A ARG 104.A N MET 109.A O no hydrogen 2.932 N/A SER 105.A OG PRO 56.A O no hydrogen 3.036 N/A SER 107.A OG ASP 106.A OD1 no hydrogen 3.382 N/A TYR 108.A OH GLU 79.A OE1 no hydrogen 3.418 N/A MET 109.A N SER 107.A OG no hydrogen 3.149 N/A HIS 111.A N CYS 102.A O no hydrogen 3.107 N/A LYS 112.A NZ GLU 115.A OE1 no hydrogen 3.438 N/A LYS 112.A NZ GLU 115.A OE2 no hydrogen 2.958 N/A LEU 114.A N ARG 100.A O no hydrogen 3.119 N/A GLU 115.A N GLU 115.A OE1 no hydrogen 3.037 N/A VAL 122.A N ASP 119.A O no hydrogen 3.394 N/A LEU 124.A N PRO 120.A O no hydrogen 3.274 N/A MET 125.A N LEU 121.A O no hydrogen 3.223 N/A MET 126.A N SER 123.A O no hydrogen 3.252 N/A GLU 128.A N LEU 124.A O no hydrogen 3.218 N/A LYS 129.A N MET 125.A O no hydrogen 3.116 N/A TYR 135.A OH GLU 153.A OE2 no hydrogen 2.775 N/A MET 137.A N THR 134.A O no hydrogen 3.286 N/A VAL 138.A N TYR 135.A O no hydrogen 3.381 N/A GLN 144.A N LEU 141.A O no hydrogen 3.188 N/A LYS 146.A N THR 142.A O no hydrogen 3.208 N/A LYS 146.A N LYS 143.A O no hydrogen 3.232 N/A GLU 147.A N LYS 143.A O no hydrogen 3.184 N/A ILE 148.A N GLN 144.A O no hydrogen 3.191 N/A GLU 150.A N GLU 147.A O no hydrogen 3.267 N/A ILE 152.A N ILE 148.A O no hydrogen 3.145 N/A GLU 153.A N LYS 149.A O no hydrogen 2.986 N/A LYS 157.A N GLU 153.A O no hydrogen 3.390 N/A HIS 158.A N LEU 154.A O no hydrogen 3.064 N/A PHE 162.A N HIS 158.A O no hydrogen 3.346 N/A GLU 163.A N PRO 159.A O no hydrogen 3.220 N/A SER 164.A N GLU 160.A O no hydrogen 2.994 N/A SER 164.A OG GLU 160.A O no hydrogen 3.127 N/A LEU 165.A N LEU 161.A O no hydrogen 3.196 N/A GLY 166.A N PHE 162.A O no hydrogen 3.219 N/A GLN 169.A NE2 PRO 159.A O no hydrogen 3.353 N/A LYS 171.A NZ GLY 296.A O no hydrogen 2.994 N/A ILE 174.A N ARG 300.A O no hydrogen 3.345 N/A LEU 175.A N MET 280.A O no hydrogen 3.285 N/A TYR 176.A N ILE 302.A O no hydrogen 3.264 N/A THR 181.A N PRO 178.A O no hydrogen 3.256 N/A THR 181.A OG1 PRO 178.A O no hydrogen 2.999 N/A LYS 183.A NZ GLY 177.A O no hydrogen 2.944 N/A LYS 183.A NZ PRO 178.A O no hydrogen 3.315 N/A LEU 186.A N GLY 182.A O no hydrogen 3.248 N/A LEU 186.A N LYS 183.A O no hydrogen 3.165 N/A ALA 187.A N LYS 183.A O no hydrogen 2.989 N/A ARG 188.A N THR 184.A O no hydrogen 3.189 N/A ALA 189.A N LEU 185.A O no hydrogen 3.267 N/A VAL 190.A N LEU 186.A O no hydrogen 3.284 N/A ALA 191.A N ALA 187.A O no hydrogen 3.372 N/A HIS 192.A N ARG 188.A O no hydrogen 3.370 N/A HIS 192.A ND1 PRO 131.A O no hydrogen 2.816 N/A HIS 193.A ND1 ALA 189.A O no hydrogen 3.062 N/A THR 194.A N VAL 190.A O no hydrogen 3.024 N/A THR 194.A OG1 VAL 190.A O no hydrogen 3.482 N/A ASP 195.A N ALA 191.A O no hydrogen 3.108 N/A LYS 197.A N PRO 230.A O no hydrogen 3.011 N/A PHE 198.A N CYS 196.A O no hydrogen 3.164 N/A ILE 199.A N ILE 232.A O no hydrogen 3.184 N/A VAL 201.A N PHE 234.A O no hydrogen 3.332 N/A GLY 203.A N ASP 236.A O no hydrogen 3.084 N/A ARG 216.A NE GLU 220.A OE2 no hydrogen 3.072 N/A ARG 219.A N ARG 216.A O no hydrogen 3.153 N/A GLU 220.A N ARG 216.A O no hydrogen 3.034 N/A VAL 223.A N GLU 220.A O no hydrogen 3.018 N/A MET 224.A N GLU 220.A O no hydrogen 3.429 N/A ALA 225.A N LEU 221.A O no hydrogen 3.012 N/A ARG 226.A N PHE 222.A O no hydrogen 3.058 N/A ARG 226.A NE ARG 226.A O no hydrogen 3.168 N/A ARG 226.A NH1 SER 273.A O no hydrogen 3.409 N/A GLU 227.A N VAL 223.A O no hydrogen 3.311 N/A HIS 228.A N MET 224.A O no hydrogen 3.075 N/A HIS 228.A NE2 ASP 119.A OD2 no hydrogen 3.260 N/A ALA 229.A N ARG 226.A O no hydrogen 3.378 N/A SER 231.A N ASN 275.A O no hydrogen 3.018 N/A SER 231.A OG LYS 197.A O no hydrogen 3.244 N/A ILE 232.A N LYS 197.A O no hydrogen 3.136 N/A ILE 233.A N LYS 277.A O no hydrogen 3.120 N/A PHE 234.A N ILE 199.A O no hydrogen 3.294 N/A MET 235.A N ILE 279.A O no hydrogen 2.764 N/A ASP 236.A N VAL 201.A O no hydrogen 3.221 N/A GLU 237.A N ALA 281.A O no hydrogen 3.421 N/A VAL 246.A N GLY 242.A O no hydrogen 3.366 N/A GLU 247.A N SER 243.A O no hydrogen 3.031 N/A VAL 256.A N GLY 252.A O no hydrogen 3.252 N/A GLN 257.A N ASP 253.A O no hydrogen 3.198 N/A ARG 258.A N SER 254.A O no hydrogen 3.023 N/A THR 259.A N GLU 255.A O no hydrogen 3.206 N/A THR 259.A OG1 GLU 255.A O no hydrogen 3.266 N/A MET 260.A N VAL 256.A O no hydrogen 3.413 N/A LEU 261.A N GLN 257.A O no hydrogen 3.407 N/A GLU 262.A N ARG 258.A O no hydrogen 3.390 N/A LEU 263.A N MET 260.A O no hydrogen 3.200 N/A LEU 264.A N LEU 261.A O no hydrogen 3.205 N/A ASN 265.A N GLU 262.A O no hydrogen 3.057 N/A ASN 265.A ND2 LEU 261.A O no hydrogen 3.274 N/A GLN 266.A N GLU 262.A O no hydrogen 2.884 N/A LEU 267.A N LEU 263.A O no hydrogen 3.392 N/A THR 272.A OG1 ASP 268.A O no hydrogen 3.505 N/A LYS 274.A NZ PHE 270.A O no hydrogen 3.306 N/A LYS 274.A NZ GLU 271.A OE1 no hydrogen 3.274 N/A LYS 274.A NZ GLU 271.A OE2 no hydrogen 2.973 N/A LYS 277.A N SER 231.A O no hydrogen 3.445 N/A LYS 277.A NZ VAL 151.A O no hydrogen 3.304 N/A ILE 279.A N ILE 233.A O no hydrogen 3.007 N/A MET 280.A N VAL 173.A O no hydrogen 3.080 N/A ALA 281.A N MET 235.A O no hydrogen 3.027 N/A THR 282.A N LEU 175.A O no hydrogen 3.377 N/A THR 282.A OG1 ILE 238.A O no hydrogen 3.040 N/A THR 282.A OG1 ARG 284.A O no hydrogen 3.088 N/A ARG 284.A NH1 ASN 283.A O no hydrogen 3.078 N/A ILE 287.A N ARG 284.A O no hydrogen 3.318 N/A ALA 291.A N ASP 289.A OD2 no hydrogen 3.468 N/A LEU 292.A N ASP 289.A O no hydrogen 3.290 N/A ARG 297.A NH2 GLU 262.A OE1 no hydrogen 3.172 N/A ARG 300.A N ILE 298.A O no hydrogen 2.634 N/A ILE 302.A N ILE 174.A O no hydrogen 3.020 N/A ALA 311.A N SER 308.A OG no hydrogen 3.163 N/A ARG 312.A N SER 308.A O no hydrogen 3.149 N/A ALA 313.A N ALA 310.A O no hydrogen 3.174 N/A LEU 316.A N ARG 312.A O no hydrogen 3.088 N/A ARG 317.A N ALA 313.A O no hydrogen 3.158 N/A ARG 317.A NE GLU 314.A OE1 no hydrogen 3.278 N/A ARG 317.A NH2 GLU 314.A OE2 no hydrogen 3.260 N/A SER 320.A N LEU 316.A O no hydrogen 3.402 N/A SER 320.A OG LEU 316.A O no hydrogen 3.199 N/A LYS 322.A N HIS 319.A O no hydrogen 3.013 N/A MET 323.A N HIS 319.A O no hydrogen 3.329 N/A MET 323.A N SER 320.A O no hydrogen 2.963 N/A ARG 327.A N VAL 365.A O no hydrogen 2.962 N/A ARG 327.A NE ASN 324.A OD1 no hydrogen 3.392 N/A ARG 327.A NH2 ASN 324.A OD1 no hydrogen 3.221 N/A GLU 336.A N ARG 332.A O no hydrogen 2.959 N/A LYS 337.A N LYS 333.A O no hydrogen 3.074 N/A MET 338.A N VAL 334.A O no hydrogen 3.185 N/A ASN 339.A ND2 PRO 307.A O no hydrogen 2.968 N/A CYS 341.A N ASP 345.A OD2 no hydrogen 3.483 N/A SER 342.A OG ASP 345.A OD2 no hydrogen 2.810 N/A GLY 343.A N GLY 180.A O no hydrogen 3.192 N/A ASP 345.A N SER 342.A O no hydrogen 3.380 N/A LYS 347.A N GLY 343.A O no hydrogen 3.222 N/A GLY 348.A N ALA 344.A O no hydrogen 3.062 N/A VAL 349.A N ASP 345.A O no hydrogen 3.358 N/A CYS 350.A N VAL 346.A O no hydrogen 3.390 N/A CYS 350.A SG VAL 346.A O no hydrogen 3.452 N/A THR 351.A N LYS 347.A O no hydrogen 3.086 N/A THR 351.A OG1 LYS 347.A O no hydrogen 3.451 N/A THR 351.A OG1 GLY 348.A O no hydrogen 3.079 N/A GLU 352.A N GLY 348.A O no hydrogen 3.359 N/A ALA 353.A N VAL 349.A O no hydrogen 3.089 N/A GLY 354.A N CYS 350.A O no hydrogen 3.115 N/A MET 355.A N GLU 352.A O no hydrogen 3.081 N/A TYR 356.A N GLU 352.A O no hydrogen 3.282 N/A LEU 358.A N GLY 354.A O no hydrogen 3.033 N/A GLU 360.A N TYR 356.A O no hydrogen 3.430 N/A ARG 361.A N ALA 357.A O no hydrogen 3.203 N/A ARG 361.A N LEU 358.A O no hydrogen 3.209 N/A ARG 362.A N ALA 357.A O no hydrogen 3.420 N/A ARG 362.A NH1 GLU 360.A OE2 no hydrogen 3.554 N/A ARG 362.A NH2 GLU 360.A OE2 no hydrogen 3.407 N/A HIS 364.A N HIS 364.A ND1 no hydrogen 2.890 N/A THR 366.A N ASP 369.A OD2 no hydrogen 2.897 N/A ASP 369.A N THR 366.A OG1 no hydrogen 3.215 N/A PHE 370.A N THR 366.A O no hydrogen 3.360 N/A GLU 371.A N GLN 367.A O no hydrogen 3.073 N/A LEU 372.A N GLU 368.A O no hydrogen 3.373 N/A ALA 373.A N ASP 369.A O no hydrogen 3.241 N/A VAL 374.A N PHE 370.A O no hydrogen 3.073 N/A GLY 375.A N GLU 371.A O no hydrogen 3.318 N/A LYS 376.A N LEU 372.A O no hydrogen 3.213 N/A LYS 376.A NZ GLU 352.A OE2 no hydrogen 3.261 N/A VAL 377.A N ALA 373.A O no hydrogen 3.379 N/A MET 378.A N GLY 375.A O no hydrogen 3.211 N/A ASN 379.A N GLY 375.A O no hydrogen 3.129 N/A ASN 381.A N VAL 377.A O no hydrogen 3.306 N/A GLN 382.A N MET 378.A O no hydrogen 3.303 N/A GLU 383.A N ASN 379.A O no hydrogen 2.987 N/A THR 384.A N LYS 380.A O no hydrogen 3.236 N/A THR 384.A OG1 LYS 380.A O no hydrogen 3.422 N/A ALA 385.A N ASN 381.A O no hydrogen 3.169 N/A ILE 386.A N GLN 382.A O no hydrogen 3.011 N/A