Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1u1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N SER 50.A O no hydrogen 2.498 N/A LYS 2.A NZ PHE 137.A O no hydrogen 2.499 N/A VAL 3.A N GLU 52.A O no hydrogen 2.630 N/A TRP 4.A N VAL 143.A O no hydrogen 2.999 N/A TRP 4.A NE1 HIS 56.A ND1 no hydrogen 2.881 N/A LEU 5.A N GLY 54.A O no hydrogen 2.587 N/A VAL 6.A N ILE 145.A O no hydrogen 2.885 N/A ALA 8.A N HIS 56.A O no hydrogen 3.218 N/A TYR 9.A N GLU 57.A OE2 no hydrogen 2.817 N/A TYR 9.A OH LEU 61.A O no hydrogen 3.219 N/A GLY 10.A N GLY 7.A O no hydrogen 3.203 N/A SER 13.A OG ALA 8.A O no hydrogen 2.294 N/A THR 14.A OG1 GLY 10.A O no hydrogen 2.864 N/A THR 14.A OG1 ILE 11.A O no hydrogen 3.337 N/A THR 15.A N ILE 11.A O no hydrogen 2.934 N/A THR 15.A OG1 ILE 11.A O no hydrogen 2.904 N/A ALA 16.A N VAL 12.A O no hydrogen 2.963 N/A ALA 16.A N SER 13.A O no hydrogen 2.961 N/A MET 17.A N SER 13.A O no hydrogen 2.855 N/A VAL 18.A N THR 14.A O no hydrogen 2.643 N/A ALA 20.A N ALA 16.A O no hydrogen 3.005 N/A ARG 21.A N MET 17.A O no hydrogen 3.236 N/A ARG 21.A NH1 GLU 24.A OE1 no hydrogen 3.241 N/A ALA 22.A N VAL 18.A O no hydrogen 2.869 N/A ILE 23.A N GLY 19.A O no hydrogen 2.670 N/A ILE 23.A N ALA 20.A O no hydrogen 2.908 N/A GLU 24.A N ALA 20.A O no hydrogen 2.495 N/A ARG 25.A N ARG 21.A O no hydrogen 2.867 N/A ARG 25.A NE ASP 89.A OD1 no hydrogen 3.178 N/A ARG 25.A NH2 ASP 89.A OD1 no hydrogen 3.531 N/A ARG 25.A NH2 ASP 89.A OD2 no hydrogen 3.272 N/A GLY 26.A N ALA 22.A O no hydrogen 3.458 N/A ILE 27.A N ALA 22.A O no hydrogen 3.035 N/A LEU 33.A N LYS 30.A O no hydrogen 3.042 N/A VAL 34.A N ASP 342.A OD1 no hydrogen 2.494 N/A SER 35.A OG ASP 342.A OD2 no hydrogen 2.881 N/A GLU 36.A N LEU 33.A O no hydrogen 3.392 N/A LEU 37.A N VAL 34.A O no hydrogen 3.162 N/A HIS 39.A NE2 LYS 385.A O no hydrogen 2.545 N/A PHE 40.A N LEU 37.A O no hydrogen 2.912 N/A GLU 41.A N PRO 38.A O no hydrogen 2.750 N/A ILE 43.A N PHE 40.A O no hydrogen 3.177 N/A GLU 44.A N GLU 44.A OE1 no hydrogen 2.498 N/A LYS 45.A NZ GLY 42.A O no hydrogen 3.280 N/A TYR 46.A N ILE 43.A O no hydrogen 2.882 N/A ALA 47.A N ILE 43.A O no hydrogen 2.580 N/A GLU 52.A N MET 1.A O no hydrogen 2.617 N/A GLY 54.A N VAL 3.A O no hydrogen 3.126 N/A HIS 56.A N LEU 5.A O no hydrogen 3.298 N/A GLU 57.A N ARG 96.A O no hydrogen 3.074 N/A ILE 58.A N GLU 57.A OE1 no hydrogen 2.740 N/A ARG 59.A N GLU 57.A OE1 no hydrogen 3.210 N/A ARG 59.A NH2 TYR 9.A O no hydrogen 3.173 N/A ASN 63.A ND2 GLU 66.A OE1 no hydrogen 2.928 N/A ALA 64.A N ILE 93.A O no hydrogen 3.136 N/A TYR 65.A N ASN 63.A OD1 no hydrogen 2.666 N/A GLU 66.A N ASN 63.A OD1 no hydrogen 3.135 N/A ALA 67.A N ASN 63.A O no hydrogen 3.340 N/A LYS 69.A N TYR 65.A O no hydrogen 2.910 N/A LYS 69.A NZ GLU 66.A OE2 no hydrogen 3.024 N/A TRP 72.A N ALA 68.A O no hydrogen 3.177 N/A TRP 72.A NE1 PHE 78.A O no hydrogen 2.641 N/A GLU 73.A N LYS 69.A O no hydrogen 2.497 N/A ASN 75.A N HIS 71.A O no hydrogen 3.234 N/A ASN 75.A N TRP 72.A O no hydrogen 2.963 N/A ASN 75.A ND2 HIS 71.A O no hydrogen 2.726 N/A ARG 76.A N TRP 72.A O no hydrogen 2.496 N/A ARG 76.A NE GLU 73.A O no hydrogen 3.262 N/A ARG 76.A NH2 GLU 73.A O no hydrogen 2.845 N/A GLU 84.A N ARG 80.A O no hydrogen 2.906 N/A ALA 85.A N GLU 81.A O no hydrogen 2.841 N/A VAL 86.A N ILE 82.A O no hydrogen 3.082 N/A VAL 86.A N LEU 83.A O no hydrogen 2.946 N/A LYS 87.A N LEU 83.A O no hydrogen 2.868 N/A ASP 89.A N VAL 86.A O no hydrogen 2.640 N/A LEU 90.A N VAL 86.A O no hydrogen 2.976 N/A GLU 91.A N LYS 87.A O no hydrogen 2.732 N/A GLY 92.A N ASP 89.A O no hydrogen 2.750 N/A ILE 93.A N LEU 90.A O no hydrogen 3.158 N/A ALA 95.A N TYR 9.A OH no hydrogen 3.138 N/A ARG 96.A N GLY 55.A O no hydrogen 3.219 N/A LYS 97.A NZ GLU 57.A O no hydrogen 3.417 N/A GLY 98.A N GLU 57.A O no hydrogen 2.607 N/A THR 99.A N TYR 185.A OH no hydrogen 2.499 N/A CYS 103.A SG GLU 151.A OE2 no hydrogen 3.904 N/A THR 115.A OG1 LYS 114.A O no hydrogen 2.296 N/A GLU 119.A N LEU 116.A O no hydrogen 2.852 N/A LEU 123.A N ASP 174.A OD2 no hydrogen 2.634 N/A VAL 127.A N LEU 123.A O no hydrogen 2.749 N/A SER 128.A N ALA 124.A O no hydrogen 3.161 N/A ILE 130.A N MET 126.A O no hydrogen 3.165 N/A GLU 131.A N SER 128.A O no hydrogen 2.927 N/A GLU 132.A N ARG 129.A O no hydrogen 3.017 N/A SER 136.A OG GLU 132.A O no hydrogen 2.312 N/A PHE 137.A N ASP 133.A O no hydrogen 3.019 N/A ALA 138.A N ILE 134.A O no hydrogen 3.333 N/A ASP 139.A N THR 142.A OG1 no hydrogen 2.740 N/A GLU 141.A N ASP 139.A OD2 no hydrogen 2.511 N/A THR 142.A OG1 ASP 139.A OD2 no hydrogen 3.171 N/A VAL 144.A N PRO 195.A O no hydrogen 2.796 N/A ILE 145.A N TRP 4.A O no hydrogen 2.905 N/A ASN 146.A N ALA 197.A O no hydrogen 3.053 N/A ASN 146.A ND2 ASN 198.A OD1 no hydrogen 2.988 N/A HIS 161.A N SER 157.A O no hydrogen 2.984 N/A GLY 162.A N GLU 158.A O no hydrogen 2.996 N/A SER 163.A OG GLU 159.A O no hydrogen 3.553 N/A LEU 164.A N GLU 212.A OE1 no hydrogen 3.204 N/A GLY 166.A N SER 163.A O no hydrogen 3.274 N/A GLY 166.A N SER 163.A OG no hydrogen 2.778 N/A PHE 167.A N SER 163.A O no hydrogen 3.388 N/A GLU 168.A N LEU 164.A O no hydrogen 3.255 N/A ARG 169.A N GLU 165.A O no hydrogen 3.238 N/A ARG 169.A NH2 GLU 165.A OE1 no hydrogen 3.552 N/A MET 170.A N GLY 166.A O no hydrogen 2.757 N/A ILE 171.A N PHE 167.A O no hydrogen 3.282 N/A ILE 171.A N GLU 168.A O no hydrogen 2.800 N/A ASP 174.A N ILE 171.A O no hydrogen 3.179 N/A ARG 175.A N MET 170.A O no hydrogen 2.791 N/A LYS 176.A N ASP 174.A O no hydrogen 2.764 N/A SER 180.A OG GLU 151.A OE1 no hydrogen 3.063 N/A ALA 181.A N LEU 101.A O no hydrogen 2.849 N/A SER 182.A OG SER 202.A OG no hydrogen 2.666 N/A LEU 184.A N ALA 181.A O no hydrogen 3.132 N/A TYR 185.A N ALA 181.A O no hydrogen 3.223 N/A TYR 185.A OH THR 99.A O no hydrogen 3.272 N/A ALA 186.A N SER 182.A O no hydrogen 2.496 N/A TYR 187.A OH GLU 168.A OE2 no hydrogen 3.134 N/A ALA 188.A N LEU 184.A O no hydrogen 3.022 N/A ALA 189.A N TYR 185.A O no hydrogen 3.164 N/A LYS 191.A N TYR 187.A O no hydrogen 2.923 N/A LYS 191.A NZ TYR 187.A OH no hydrogen 3.428 N/A LEU 192.A N ALA 188.A O no hydrogen 2.936 N/A GLY 193.A N LEU 190.A O no hydrogen 2.965 N/A LEU 194.A N ALA 189.A O no hydrogen 2.804 N/A ALA 197.A N VAL 144.A O no hydrogen 2.977 N/A ASN 198.A N ALA 222.A O no hydrogen 3.351 N/A ASN 198.A ND2 SER 202.A O no hydrogen 2.581 N/A PHE 199.A N ASN 146.A O no hydrogen 2.741 N/A THR 200.A N ASN 198.A OD1 no hydrogen 2.960 N/A THR 200.A OG1 ASN 198.A OD1 no hydrogen 3.091 N/A SER 202.A N THR 200.A OG1 no hydrogen 3.080 N/A SER 202.A OG SER 182.A OG no hydrogen 2.666 N/A GLY 204.A N SER 202.A OG no hydrogen 3.140 N/A SER 205.A OG HIS 221.A ND1 no hydrogen 2.498 N/A ALA 206.A N PRO 203.A O no hydrogen 2.500 N/A ALA 209.A N HIS 161.A O no hydrogen 3.089 N/A LEU 210.A N ILE 207.A O no hydrogen 3.234 N/A LYS 211.A N ILE 207.A O no hydrogen 3.284 N/A LYS 211.A NZ SER 205.A O no hydrogen 3.563 N/A LYS 211.A NZ ILE 207.A O no hydrogen 3.504 N/A GLU 212.A N PRO 208.A O no hydrogen 3.316 N/A ALA 214.A N LEU 210.A O no hydrogen 3.037 N/A GLU 215.A N LYS 211.A O no hydrogen 3.251 N/A LYS 216.A N GLU 212.A O no hydrogen 2.606 N/A LYS 217.A N ALA 214.A O no hydrogen 2.983 N/A GLY 218.A N GLU 215.A O no hydrogen 3.293 N/A VAL 219.A N ALA 214.A O no hydrogen 2.906 N/A HIS 221.A ND1 SER 205.A OG no hydrogen 2.498 N/A ALA 222.A N TYR 196.A O no hydrogen 2.820 N/A ASP 225.A N ASN 198.A O no hydrogen 3.044 N/A GLY 226.A N PHE 199.A O no hydrogen 2.703 N/A LYS 227.A N PHE 365.A O no hydrogen 2.864 N/A LYS 227.A NZ THR 235.A OG1 no hydrogen 2.827 N/A LYS 227.A NZ THR 377.A OG1 no hydrogen 3.244 N/A LYS 227.A NZ GLN 380.A OE1 no hydrogen 2.493 N/A LYS 234.A N GLU 230.A O no hydrogen 3.027 N/A THR 235.A N THR 231.A O no hydrogen 2.783 N/A THR 235.A OG1 THR 231.A O no hydrogen 3.165 N/A THR 235.A OG1 LEU 232.A O no hydrogen 3.140 N/A THR 235.A OG1 THR 377.A OG1 no hydrogen 2.584 N/A THR 236.A N VAL 233.A O no hydrogen 3.013 N/A THR 236.A OG1 LEU 232.A O no hydrogen 2.383 N/A LEU 237.A N VAL 233.A O no hydrogen 2.717 N/A ALA 238.A N LYS 234.A O no hydrogen 3.052 N/A MET 240.A N LEU 237.A O no hydrogen 2.882 N/A PHE 241.A N ALA 238.A O no hydrogen 2.882 N/A TYR 243.A N PRO 239.A O no hydrogen 2.736 N/A ARG 244.A N PHE 241.A O no hydrogen 3.040 N/A ASN 245.A N ALA 242.A O no hydrogen 3.481 N/A MET 246.A N PHE 241.A O no hydrogen 3.105 N/A GLU 247.A N LYS 315.A O no hydrogen 2.812 N/A VAL 248.A N TYR 288.A OH no hydrogen 2.498 N/A VAL 249.A N HIS 313.A O no hydrogen 2.900 N/A TRP 251.A N TYR 291.A O no hydrogen 2.734 N/A TRP 251.A NE1 ASP 310.A OD1 no hydrogen 2.822 N/A MET 252.A N PHE 311.A O no hydrogen 2.624 N/A SER 253.A N ILE 293.A O no hydrogen 2.641 N/A SER 253.A OG ASP 310.A OD1 no hydrogen 2.523 N/A ASN 255.A N GLU 295.A O no hydrogen 3.190 N/A ASN 255.A ND2 GLU 230.A OE1 no hydrogen 2.981 N/A ASN 255.A ND2 GLU 230.A OE2 no hydrogen 2.563 N/A ILE 256.A N THR 307.A O no hydrogen 2.685 N/A GLY 258.A N VAL 303.A O no hydrogen 2.895 N/A TYR 260.A OH GLU 70.A OE2 no hydrogen 2.665 N/A GLY 262.A N ASP 261.A OD1 no hydrogen 2.843 N/A LYS 263.A N ASP 259.A O no hydrogen 2.627 N/A VAL 264.A N TYR 260.A O no hydrogen 3.035 N/A LEU 265.A N ASP 261.A O no hydrogen 3.270 N/A SER 266.A OG LYS 263.A O no hydrogen 2.959 N/A ASN 270.A ND2 CYS 103.A O no hydrogen 3.287 N/A ASN 270.A ND2 THR 150.A O no hydrogen 3.343 N/A LYS 271.A N ALA 267.A O no hydrogen 3.382 N/A SER 273.A N ASN 270.A O no hydrogen 3.016 N/A SER 273.A OG GLU 151.A O no hydrogen 2.640 N/A SER 273.A OG ASN 270.A O no hydrogen 3.520 N/A VAL 275.A N LYS 271.A O no hydrogen 3.403 N/A LEU 276.A N GLU 272.A O no hydrogen 3.463 N/A SER 277.A N LYS 274.A O no hydrogen 3.183 N/A SER 277.A OG ASP 225.A OD2 no hydrogen 2.988 N/A SER 277.A OG SER 273.A O no hydrogen 3.127 N/A SER 277.A OG LYS 274.A O no hydrogen 3.111 N/A LYS 278.A N LYS 274.A O no hydrogen 3.247 N/A ASP 279.A N VAL 275.A O no hydrogen 2.656 N/A LYS 280.A N LEU 276.A O no hydrogen 2.951 N/A LEU 282.A N ASP 279.A O no hydrogen 3.321 N/A GLU 283.A N LYS 280.A O no hydrogen 2.987 N/A LYS 284.A N VAL 281.A O no hydrogen 3.295 N/A LYS 284.A NZ ASN 373.A OD1 no hydrogen 2.699 N/A MET 285.A N LEU 282.A O no hydrogen 3.282 N/A LEU 286.A N LEU 282.A O no hydrogen 3.503 N/A GLY 287.A N GLU 283.A O no hydrogen 3.266 N/A TYR 291.A N VAL 249.A O no hydrogen 3.025 N/A SER 292.A OG ASP 279.A OD2 no hydrogen 2.297 N/A ILE 293.A N TRP 251.A O no hydrogen 2.928 N/A THR 294.A OG1 ASP 279.A OD2 no hydrogen 3.010 N/A GLU 295.A N SER 253.A O no hydrogen 2.864 N/A GLN 297.A N ASN 255.A O no hydrogen 3.093 N/A PHE 299.A N LEU 257.A O no hydrogen 2.648 N/A LEU 302.A N PHE 299.A O no hydrogen 3.372 N/A ASP 304.A N ASN 75.A OD1 no hydrogen 3.084 N/A ASN 305.A N LEU 302.A O no hydrogen 3.166 N/A ASN 305.A ND2 ALA 330.A O no hydrogen 2.663 N/A LYS 306.A NZ ASN 255.A OD1 no hydrogen 2.928 N/A THR 307.A N ILE 256.A O no hydrogen 2.870 N/A THR 307.A OG1 ASN 305.A O no hydrogen 3.490 N/A ALA 308.A N TRP 328.A O no hydrogen 3.156 N/A PHE 309.A N TYR 254.A O no hydrogen 2.611 N/A ASP 310.A N PHE 326.A O no hydrogen 2.689 N/A PHE 311.A N MET 252.A O no hydrogen 3.177 N/A VAL 312.A N PHE 324.A O no hydrogen 3.042 N/A HIS 313.A N GLY 250.A O no hydrogen 3.176 N/A PHE 314.A N MET 322.A O no hydrogen 2.699 N/A LYS 315.A N GLU 247.A O no hydrogen 2.811 N/A GLY 319.A N GLY 316.A O no hydrogen 2.993 N/A LYS 320.A N PHE 317.A O no hydrogen 3.498 N/A MET 322.A N PHE 314.A O no hydrogen 2.856 N/A PHE 324.A N VAL 312.A O no hydrogen 2.992 N/A PHE 326.A N ASP 310.A O no hydrogen 2.886 N/A TRP 328.A N ALA 308.A O no hydrogen 2.772 N/A ASP 332.A N ASP 304.A O no hydrogen 3.026 N/A ALA 333.A N ASP 304.A OD2 no hydrogen 2.620 N/A ILE 334.A N ILE 331.A O no hydrogen 3.355 N/A VAL 335.A N ASP 332.A O no hydrogen 2.806 N/A ALA 336.A N ASP 332.A O no hydrogen 2.891 N/A ALA 337.A N ALA 333.A O no hydrogen 3.034 N/A LEU 339.A N ALA 336.A O no hydrogen 2.750 N/A ILE 340.A N ALA 337.A O no hydrogen 3.128 N/A ASP 342.A N PRO 338.A O no hydrogen 3.216 N/A ILE 343.A N LEU 339.A O no hydrogen 2.789 N/A ALA 344.A N ILE 340.A O no hydrogen 3.165 N/A ARG 345.A N LEU 341.A O no hydrogen 3.191 N/A ARG 345.A NE ALA 47.A O no hydrogen 2.498 N/A ARG 345.A NH1 GLU 36.A OE2 no hydrogen 2.742 N/A ARG 345.A NH2 ALA 47.A O no hydrogen 2.930 N/A PHE 346.A N ASP 342.A O no hydrogen 2.887 N/A LEU 347.A N ALA 344.A O no hydrogen 3.221 N/A LEU 348.A N ALA 344.A O no hydrogen 3.176 N/A PHE 349.A N ARG 345.A O no hydrogen 3.306 N/A LYS 351.A N LEU 347.A O no hydrogen 2.881 N/A LYS 351.A NZ ASP 140.A O no hydrogen 2.699 N/A LYS 352.A N LEU 348.A O no hydrogen 2.664 N/A LYS 352.A N PHE 349.A O no hydrogen 3.207 N/A LYS 353.A N ALA 350.A O no hydrogen 2.742 N/A LYS 353.A NZ TYR 46.A OH no hydrogen 3.139 N/A LYS 353.A NZ LEU 391.A O no hydrogen 3.373 N/A GLY 357.A N VAL 219.A O no hydrogen 2.497 N/A VAL 359.A N HIS 221.A O no hydrogen 3.032 N/A LYS 360.A NZ GLU 361.A OE1 no hydrogen 2.832 N/A MET 362.A N VAL 359.A O no hydrogen 3.323 N/A PHE 365.A N MET 362.A O no hydrogen 3.419 N/A PHE 366.A N ALA 363.A O no hydrogen 2.938 N/A LYS 367.A N ASP 225.A O no hydrogen 2.756 N/A LYS 367.A NZ ASP 225.A OD2 no hydrogen 3.560 N/A LYS 367.A NZ LYS 274.A O no hydrogen 3.428 N/A SER 368.A N ASN 224.A O no hydrogen 3.382 N/A MET 370.A N GLY 223.A O no hydrogen 3.312 N/A THR 377.A N THR 235.A O no hydrogen 3.025 N/A THR 377.A OG1 THR 235.A OG1 no hydrogen 2.584 N/A HIS 378.A N ASN 376.A OD1 no hydrogen 2.746 N/A GLU 379.A N ASN 376.A OD1 no hydrogen 2.923 N/A GLN 380.A N ASN 376.A O no hydrogen 2.716 N/A GLN 380.A NE2 VAL 374.A O no hydrogen 2.909 N/A VAL 382.A N HIS 378.A O no hydrogen 3.034 N/A VAL 382.A N GLU 379.A O no hydrogen 3.221 N/A VAL 383.A N GLU 379.A O no hydrogen 3.128 N/A LEU 384.A N GLN 380.A O no hydrogen 3.383 N/A LYS 385.A N VAL 382.A O no hydrogen 2.715 N/A GLU 386.A N VAL 382.A O no hydrogen 2.795 N/A TRP 387.A N VAL 383.A O no hydrogen 2.902 N/A ASN 390.A N GLU 386.A O no hydrogen 2.974 N/A LEU 391.A N TRP 387.A O no hydrogen 3.172 N/A LYS 392.A N TYR 388.A O no hydrogen 2.498 N/A