Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ice_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N PHE 32.A O no hydrogen 2.825 N/A THR 3.A OG1 ASP 34.A OD1 no hydrogen 2.348 N/A THR 3.A OG1 ASP 34.A OD2 no hydrogen 2.316 N/A LEU 5.A N ASN 1.A O no hydrogen 2.571 N/A LYS 6.A N LEU 2.A O no hydrogen 3.184 N/A ASN 7.A N GLU 4.A O no hydrogen 3.014 N/A THR 8.A N GLU 4.A O no hydrogen 2.502 N/A ILE 16.A N ARG 12.A O no hydrogen 3.119 N/A ILE 17.A N LYS 13.A O no hydrogen 3.186 N/A PHE 18.A N GLN 14.A O no hydrogen 2.892 N/A ALA 19.A N ASP 15.A O no hydrogen 2.906 N/A ILE 20.A N ILE 16.A O no hydrogen 2.929 N/A LEU 21.A N ILE 17.A O no hydrogen 2.923 N/A LYS 22.A N PHE 18.A O no hydrogen 3.036 N/A GLN 23.A N ALA 19.A O no hydrogen 3.427 N/A HIS 24.A N ILE 20.A O no hydrogen 2.879 N/A HIS 24.A ND1 GLU 29.A OE2 no hydrogen 2.377 N/A ALA 25.A N LEU 21.A O no hydrogen 3.015 N/A LYS 26.A N LYS 22.A O no hydrogen 3.305 N/A LYS 26.A NZ GLN 23.A OE1 no hydrogen 3.388 N/A SER 27.A N GLN 23.A O no hydrogen 3.297 N/A SER 27.A OG GLN 23.A O no hydrogen 3.549 N/A GLY 28.A N ALA 25.A O no hydrogen 2.938 N/A GLY 33.A N GLY 81.A O no hydrogen 3.422 N/A VAL 36.A N ARG 48.A O no hydrogen 2.872 N/A LEU 37.A N ASP 77.A O no hydrogen 2.787 N/A GLU 38.A N PHE 46.A O no hydrogen 2.875 N/A LEU 40.A N PHE 44.A O no hydrogen 2.796 N/A GLY 43.A N LEU 40.A O no hydrogen 3.310 N/A PHE 46.A N GLU 38.A O no hydrogen 3.221 N/A ARG 48.A N VAL 36.A O no hydrogen 2.926 N/A SER 52.A N SER 49.A O no hydrogen 3.181 N/A SER 52.A OG SER 52.A O no hydrogen 2.603 N/A SER 53.A N ALA 50.A O no hydrogen 2.894 N/A SER 53.A OG ALA 207.A O no hydrogen 3.446 N/A TYR 54.A N SER 49.A O no hydrogen 3.063 N/A LEU 55.A N SER 52.A O no hydrogen 2.805 N/A GLY 57.A N ASP 60.A OD2 no hydrogen 2.990 N/A ASP 60.A N GLY 57.A O no hydrogen 3.218 N/A TYR 62.A N PHE 93.A O no hydrogen 3.131 N/A VAL 63.A N GLY 45.A O no hydrogen 3.006 N/A SER 64.A N GLN 67.A OE1 no hydrogen 3.166 N/A GLN 67.A N SER 64.A OG no hydrogen 2.901 N/A GLN 67.A NE2 LEU 95.A O no hydrogen 3.264 N/A ILE 68.A N SER 64.A O no hydrogen 3.250 N/A ARG 69.A N PRO 65.A O no hydrogen 2.891 N/A ARG 70.A N SER 66.A O no hydrogen 2.658 N/A PHE 71.A N GLN 67.A O no hydrogen 3.294 N/A LEU 73.A N ILE 68.A O no hydrogen 2.963 N/A ARG 74.A N ASP 77.A OD2 no hydrogen 3.303 N/A ARG 74.A NH2 GLU 116.A OE1 no hydrogen 3.358 N/A ARG 74.A NH2 GLU 232.A OE2 no hydrogen 3.213 N/A GLY 76.A N LEU 37.A O no hydrogen 2.821 N/A ASP 77.A N ARG 74.A O no hydrogen 3.131 N/A THR 78.A N ASN 102.A OD1 no hydrogen 2.895 N/A THR 78.A OG1 ASN 102.A OD1 no hydrogen 2.853 N/A ILE 79.A N GLY 35.A O no hydrogen 3.160 N/A SER 80.A N GLU 100.A O no hydrogen 3.308 N/A SER 80.A OG GLU 100.A O no hydrogen 3.351 N/A LYS 82.A N LYS 97.A O no hydrogen 3.008 N/A ILE 83.A N ILE 31.A O no hydrogen 3.041 N/A ARG 84.A N ALA 94.A O no hydrogen 3.188 N/A LEU 95.A N TYR 62.A O no hydrogen 3.086 N/A LEU 96.A N LYS 82.A O no hydrogen 2.693 N/A LYS 97.A N LYS 82.A O no hydrogen 3.160 N/A ASN 99.A N SER 80.A O no hydrogen 2.670 N/A GLU 100.A N SER 80.A OG no hydrogen 3.297 N/A VAL 101.A N ASP 104.A O no hydrogen 2.525 N/A ASN 102.A N THR 78.A O no hydrogen 2.882 N/A ASN 102.A ND2 ASP 77.A OD1 no hydrogen 3.474 N/A ASP 104.A N VAL 101.A O no hydrogen 3.014 N/A ALA 109.A N LYS 105.A O no hydrogen 3.353 N/A ASN 111.A N ASN 108.A O no hydrogen 2.990 N/A LEU 118.A N PHE 115.A O no hydrogen 3.054 N/A THR 119.A N GLU 286.A OE1 no hydrogen 3.039 N/A LEU 121.A N ASN 283.A O no hydrogen 2.804 N/A LEU 127.A N ILE 149.A O no hydrogen 2.768 N/A ARG 128.A NH1 GLU 351.A OE2 no hydrogen 2.842 N/A ARG 130.A N ASP 137.A OD1 no hydrogen 2.742 N/A SER 134.A OG ASP 137.A OD2 no hydrogen 3.025 N/A THR 135.A OG1 GLU 136.A OE2 no hydrogen 2.742 N/A ASP 137.A N SER 134.A O no hydrogen 3.191 N/A THR 139.A OG1 GLU 136.A O no hydrogen 3.489 N/A ALA 140.A N GLU 136.A O no hydrogen 3.143 N/A ARG 141.A N ASP 137.A O no hydrogen 2.759 N/A VAL 142.A N LEU 138.A O no hydrogen 2.916 N/A LEU 143.A N THR 139.A O no hydrogen 3.030 N/A ASP 144.A N ALA 140.A O no hydrogen 2.843 N/A LEU 145.A N ARG 141.A O no hydrogen 3.025 N/A ALA 146.A N VAL 142.A O no hydrogen 2.850 N/A SER 147.A N LEU 143.A O no hydrogen 2.893 N/A GLY 150.A N GLN 153.A OE1 no hydrogen 2.899 N/A ARG 151.A N SER 125.A O no hydrogen 2.839 N/A ARG 151.A NH2 ASP 181.A OD2 no hydrogen 2.941 N/A GLY 152.A N THR 291.A OG1 no hydrogen 2.665 N/A GLN 153.A N GLY 150.A O no hydrogen 3.247 N/A GLN 153.A N THR 291.A OG1 no hydrogen 2.957 N/A GLN 153.A NE2 ASN 316.A OD1 no hydrogen 2.498 N/A ARG 154.A N ASN 316.A OD1 no hydrogen 2.924 N/A GLY 155.A N ILE 292.A O no hydrogen 3.279 N/A ILE 157.A N ALA 294.A O no hydrogen 2.884 N/A VAL 158.A N LEU 318.A O no hydrogen 2.832 N/A ALA 159.A N ALA 296.A O no hydrogen 3.076 N/A THR 166.A OG1 ASP 242.A OD1 no hydrogen 2.809 N/A THR 166.A OG1 ASP 242.A OD2 no hydrogen 3.237 N/A LEU 168.A N LYS 165.A O no hydrogen 3.461 N/A ASN 170.A ND2 GLU 136.A O no hydrogen 3.411 N/A ILE 171.A N LEU 167.A O no hydrogen 2.938 N/A ALA 172.A N LEU 168.A O no hydrogen 2.809 N/A GLN 173.A N GLN 169.A O no hydrogen 2.847 N/A SER 174.A N ASN 170.A O no hydrogen 2.920 N/A ILE 175.A N ILE 171.A O no hydrogen 2.989 N/A ALA 176.A N ALA 172.A O no hydrogen 3.127 N/A ASN 178.A N SER 174.A O no hydrogen 3.037 N/A HIS 179.A N ILE 175.A O no hydrogen 2.902 N/A CYS 182.A N HIS 179.A O no hydrogen 3.285 N/A VAL 183.A N ASP 236.A O no hydrogen 2.709 N/A LEU 186.A N LEU 240.A O no hydrogen 3.067 N/A LEU 187.A N VAL 206.A O no hydrogen 2.849 N/A ASP 189.A N SER 208.A O no hydrogen 2.914 N/A THR 196.A N PRO 192.A O no hydrogen 3.291 N/A THR 196.A OG1 GLU 193.A O no hydrogen 3.386 N/A GLU 197.A N GLU 193.A O no hydrogen 2.890 N/A ARG 199.A N GLU 197.A O no hydrogen 2.907 N/A LYS 202.A NZ ALA 176.A O no hydrogen 3.340 N/A SER 208.A N LEU 187.A O no hydrogen 2.672 N/A PHE 210.A N GLU 190.A O no hydrogen 3.304 N/A GLU 212.A N THR 209.A O no hydrogen 2.685 N/A ARG 216.A NH2 SER 53.A OG no hydrogen 3.060 N/A HIS 217.A N PRO 213.A O no hydrogen 3.226 N/A HIS 217.A NE2 THR 209.A O no hydrogen 3.341 N/A VAL 218.A N ALA 214.A O no hydrogen 3.110 N/A GLN 219.A N SER 215.A O no hydrogen 3.067 N/A VAL 220.A N ARG 216.A O no hydrogen 2.941 N/A ALA 221.A N HIS 217.A O no hydrogen 3.038 N/A GLU 222.A N VAL 218.A O no hydrogen 2.808 N/A ILE 224.A N ALA 221.A O no hydrogen 2.937 N/A GLU 225.A N GLU 222.A O no hydrogen 3.073 N/A LYS 226.A NZ TYR 54.A OH no hydrogen 3.010 N/A LYS 226.A NZ GLU 204.A OE2 no hydrogen 2.604 N/A ALA 227.A N VAL 223.A O no hydrogen 3.011 N/A LYS 228.A N ILE 224.A O no hydrogen 2.945 N/A ARG 229.A N GLU 225.A O no hydrogen 2.933 N/A ARG 229.A NE THR 75.A O no hydrogen 3.039 N/A LEU 230.A N LYS 226.A O no hydrogen 3.047 N/A VAL 231.A N ALA 227.A O no hydrogen 3.032 N/A GLU 232.A N ARG 229.A O no hydrogen 3.011 N/A HIS 233.A N LEU 230.A O no hydrogen 2.914 N/A HIS 233.A ND1 ASN 102.A O no hydrogen 2.512 N/A LYS 234.A NZ GLU 286.A O no hydrogen 2.450 N/A VAL 237.A N SER 289.A O no hydrogen 2.417 N/A ILE 238.A N VAL 183.A O no hydrogen 2.920 N/A ILE 239.A N THR 291.A O no hydrogen 2.774 N/A LEU 241.A N ILE 293.A O no hydrogen 3.018 N/A ASP 242.A N LEU 186.A O no hydrogen 3.298 N/A SER 243.A N THR 295.A OG1 no hydrogen 2.871 N/A ILE 244.A N THR 295.A O no hydrogen 2.834 N/A ARG 246.A NE GLU 190.A OE1 no hydrogen 3.326 N/A ARG 246.A NH2 GLU 190.A OE1 no hydrogen 2.830 N/A LEU 247.A N SER 243.A O no hydrogen 3.397 N/A ALA 248.A N ILE 244.A O no hydrogen 3.277 N/A ARG 249.A N THR 245.A O no hydrogen 3.002 N/A ARG 249.A NH2 ASP 304.A OD1 no hydrogen 2.660 N/A ALA 250.A N ARG 246.A O no hydrogen 2.987 N/A TYR 251.A N LEU 247.A O no hydrogen 2.929 N/A ASN 252.A N ARG 249.A O no hydrogen 2.549 N/A THR 253.A N ARG 249.A O no hydrogen 2.984 N/A VAL 254.A N ALA 250.A O no hydrogen 2.851 N/A VAL 255.A N TYR 251.A O no hydrogen 3.189 N/A SER 258.A OG ASN 269.A OD1 no hydrogen 3.254 N/A ALA 270.A N ASP 267.A O no hydrogen 2.681 N/A LEU 271.A N ASP 267.A O no hydrogen 3.145 N/A LEU 271.A N ALA 268.A O no hydrogen 3.287 N/A LYS 275.A N LEU 271.A O no hydrogen 3.443 N/A LYS 275.A NZ GLU 310.A O no hydrogen 3.515 N/A LYS 275.A NZ GLU 310.A OE1 no hydrogen 2.914 N/A ARG 276.A N HIS 272.A O no hydrogen 3.040 N/A ARG 276.A N ARG 273.A O no hydrogen 2.758 N/A PHE 277.A N ARG 273.A O no hydrogen 2.960 N/A PHE 278.A N PRO 274.A O no hydrogen 2.898 N/A GLY 279.A N LYS 275.A O no hydrogen 2.833 N/A ALA 281.A N PHE 278.A O no hydrogen 3.229 N/A ARG 282.A N LEU 290.A O no hydrogen 3.350 N/A ARG 282.A NE ALA 280.A O no hydrogen 3.208 N/A ASN 283.A ND2 HIS 122.A O no hydrogen 2.834 N/A ASN 283.A ND2 ASN 124.A OD1 no hydrogen 2.996 N/A GLU 285.A N THR 119.A O no hydrogen 3.098 N/A SER 289.A N LYS 235.A O no hydrogen 2.485 N/A SER 289.A OG ASP 236.A OD1 no hydrogen 2.482 N/A THR 291.A N VAL 237.A O no hydrogen 2.990 N/A THR 291.A OG1 GLY 150.A O no hydrogen 3.486 N/A ILE 292.A N GLN 153.A O no hydrogen 3.042 N/A ILE 293.A N ILE 239.A O no hydrogen 2.833 N/A THR 295.A N LEU 241.A O no hydrogen 3.069 N/A THR 295.A OG1 ASP 242.A OD2 no hydrogen 3.379 N/A ALA 296.A N ILE 157.A O no hydrogen 2.951 N/A THR 300.A OG1 ASP 304.A OD2 no hydrogen 2.465 N/A SER 302.A N GLU 305.A OE1 no hydrogen 3.208 N/A GLU 305.A N SER 302.A O no hydrogen 3.245 N/A VAL 306.A N LYS 303.A O no hydrogen 2.882 N/A TYR 308.A N ASP 304.A O no hydrogen 2.899 N/A GLU 309.A N GLU 305.A O no hydrogen 2.905 N/A GLU 310.A N VAL 306.A O no hydrogen 2.800 N/A GLU 310.A N ILE 307.A O no hydrogen 2.885 N/A PHE 311.A N ILE 307.A O no hydrogen 3.134 N/A LYS 312.A N TYR 308.A O no hydrogen 2.858 N/A THR 314.A OG1 PHE 311.A O no hydrogen 2.801 N/A GLY 315.A N PHE 311.A O no hydrogen 3.100 N/A ASN 316.A N ARG 154.A O no hydrogen 3.075 N/A LEU 318.A N LEU 156.A O no hydrogen 2.941 N/A HIS 319.A N SER 338.A OG no hydrogen 3.144 N/A LEU 320.A N VAL 158.A O no hydrogen 3.055 N/A SER 321.A N ALA 332.A O no hydrogen 3.347 N/A SER 321.A OG GLU 365.A OE1 no hydrogen 2.714 N/A ARG 322.A NH1 ASP 299.A OD1 no hydrogen 3.564 N/A GLU 326.A N ARG 322.A O no hydrogen 2.993 N/A LYS 327.A NZ GLU 369.A OE1 no hydrogen 3.374 N/A ARG 328.A N ALA 325.A O no hydrogen 2.846 N/A ASP 334.A N HIS 319.A O no hydrogen 2.762 N/A TYR 335.A N ILE 333.A O no hydrogen 2.964 N/A ASN 336.A ND2 HIS 362.A O no hydrogen 3.075 N/A SER 338.A N ASP 334.A O no hydrogen 3.041 N/A SER 338.A OG ASP 334.A O no hydrogen 3.159 N/A GLY 339.A N GLU 317.A O no hydrogen 2.897 N/A ARG 341.A N ASN 316.A O no hydrogen 2.676 N/A ARG 341.A NH1 GLY 315.A O no hydrogen 3.039 N/A GLU 344.A N GLU 344.A OE1 no hydrogen 2.745 N/A LEU 345.A N LYS 342.A O no hydrogen 3.457 N/A LEU 346.A N GLU 343.A O no hydrogen 3.040 N/A THR 347.A OG1 GLU 343.A O no hydrogen 2.855 N/A THR 348.A N GLU 351.A OE1 no hydrogen 2.945 N/A THR 348.A OG1 GLU 351.A OE1 no hydrogen 3.216 N/A GLU 351.A N THR 348.A OG1 no hydrogen 3.345 N/A LEU 352.A N THR 348.A O no hydrogen 2.924 N/A GLN 353.A N GLN 349.A O no hydrogen 2.979 N/A LYS 354.A N GLU 350.A O no hydrogen 3.311 N/A LYS 354.A NZ GLU 350.A O no hydrogen 3.470 N/A LYS 354.A NZ GLN 353.A OE1 no hydrogen 2.906 N/A ILE 356.A N GLN 353.A O no hydrogen 2.860 N/A LEU 357.A N LYS 354.A O no hydrogen 2.906 N/A ARG 358.A NH1 SER 338.A O no hydrogen 3.221 N/A LYS 359.A N TRP 355.A O no hydrogen 2.961 N/A ILE 360.A N ILE 356.A O no hydrogen 3.035 N/A ILE 361.A N LEU 357.A O no hydrogen 2.949 N/A HIS 362.A N ARG 358.A O no hydrogen 2.902 N/A ALA 368.A N GLY 364.A O no hydrogen 2.773 N/A PHE 370.A N ASP 367.A O no hydrogen 2.850 N/A LEU 371.A N ALA 368.A O no hydrogen 2.842 N/A ASN 373.A N GLU 369.A O no hydrogen 3.004 N/A ASN 373.A N PHE 370.A O no hydrogen 3.154 N/A LYS 374.A N PHE 370.A O no hydrogen 3.191 N/A ALA 376.A N ASN 373.A O no hydrogen 3.312 N/A THR 377.A OG1 ASP 381.A OD2 no hydrogen 2.725 N/A LYS 378.A NZ GLU 129.A OE1 no hydrogen 2.916 N/A ASP 382.A N LYS 378.A O no hydrogen 2.712 N/A PHE 383.A N THR 379.A O no hydrogen 2.741 N/A PHE 384.A N ASN 380.A O no hydrogen 3.147 N/A GLU 385.A N ASP 381.A O no hydrogen 2.866 N/A