Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xny_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 2.A N LEU 21.A O no hydrogen 3.456 N/A THR 3.A OG1 GLU 20.A OE1 no hydrogen 2.470 N/A THR 3.A OG1 GLU 20.A OE2 no hydrogen 3.303 N/A LEU 4.A N LEU 19.A O no hydrogen 2.667 N/A GLN 9.A N GLY 7.A O no hydrogen 2.610 N/A ALA 12.A N HIS 10.A O no hydrogen 2.775 N/A LEU 19.A N LEU 4.A O no hydrogen 2.542 N/A GLU 20.A N LYS 28.A O no hydrogen 3.100 N/A VAL 26.A N HIS 362.A O no hydrogen 3.010 N/A ARG 27.A N GLU 20.A O no hydrogen 2.639 N/A CYS 29.A SG SER 359.A OG no hydrogen 3.381 N/A ASP 30.A N VAL 18.A O no hydrogen 3.009 N/A ARG 38.A NH1 ARG 58.A O no hydrogen 3.318 N/A LEU 43.A N GLY 39.A O no hydrogen 3.092 N/A ILE 44.A N THR 40.A O no hydrogen 3.234 N/A GLU 45.A N LYS 42.A O no hydrogen 3.255 N/A TYR 46.A N LEU 43.A O no hydrogen 3.062 N/A LYS 47.A N ILE 44.A O no hydrogen 2.910 N/A THR 48.A OG1 GLU 307.A O no hydrogen 3.346 N/A THR 48.A OG1 SER 337.A O no hydrogen 3.141 N/A TYR 49.A N SER 337.A O no hydrogen 3.347 N/A TYR 49.A OH SER 333.A OG no hydrogen 2.667 N/A ALA 52.A N TYR 49.A O no hydrogen 3.366 N/A LEU 53.A N LEU 50.A O no hydrogen 3.312 N/A TYR 55.A N ALA 52.A O no hydrogen 2.677 N/A PHE 56.A N LEU 53.A O no hydrogen 2.669 N/A ARG 58.A NH1 PRO 54.A O no hydrogen 3.319 N/A LEU 59.A N PHE 56.A O no hydrogen 3.191 N/A VAL 62.A N ASP 60.A OD1 no hydrogen 3.296 N/A SER 63.A OG ASP 60.A OD2 no hydrogen 2.500 N/A SER 63.A OG ASN 67.A OD1 no hydrogen 3.346 N/A CYS 66.A SG GLY 95.A O no hydrogen 3.462 N/A CYS 66.A SG THR 98.A OG1 no hydrogen 2.479 N/A ASN 67.A N MET 64.A O no hydrogen 3.168 N/A ASN 67.A ND2 PHE 56.A O no hydrogen 2.980 N/A ASN 67.A ND2 ASP 60.A O no hydrogen 3.341 N/A GLN 69.A N MET 65.A O no hydrogen 3.278 N/A ALA 70.A N CYS 66.A O no hydrogen 3.260 N/A ALA 70.A N ASN 67.A O no hydrogen 2.968 N/A TYR 71.A OH TYR 49.A O no hydrogen 2.811 N/A SER 72.A N GLU 68.A O no hydrogen 2.721 N/A SER 72.A OG GLU 68.A O no hydrogen 3.130 N/A SER 72.A OG ILE 147.A O no hydrogen 2.353 N/A ILE 73.A N GLN 69.A O no hydrogen 3.030 N/A ALA 74.A N ALA 70.A O no hydrogen 2.772 N/A VAL 75.A N TYR 71.A O no hydrogen 2.818 N/A GLU 76.A N SER 72.A O no hydrogen 3.064 N/A LYS 77.A N ILE 73.A O no hydrogen 3.054 N/A LEU 78.A N ALA 74.A O no hydrogen 3.207 N/A LEU 79.A N VAL 75.A O no hydrogen 3.123 N/A ASN 80.A N LYS 77.A O no hydrogen 3.174 N/A ILE 81.A N GLU 76.A O no hydrogen 3.166 N/A ARG 86.A NE ASP 155.A OD1 no hydrogen 3.208 N/A ARG 86.A NH1 ASP 155.A OD1 no hydrogen 3.242 N/A ARG 86.A NH2 PRO 272.A O no hydrogen 3.318 N/A GLN 88.A N PRO 84.A O no hydrogen 3.289 N/A TRP 89.A N PRO 85.A O no hydrogen 3.354 N/A ILE 90.A N ARG 86.A O no hydrogen 3.000 N/A ARG 91.A N ALA 87.A O no hydrogen 2.931 N/A ARG 91.A NH2 GLU 76.A OE2 no hydrogen 2.642 N/A ARG 91.A NH2 GLY 151.A O no hydrogen 3.529 N/A VAL 92.A N GLN 88.A O no hydrogen 3.070 N/A LEU 93.A N TRP 89.A O no hydrogen 2.671 N/A PHE 94.A N ILE 90.A O no hydrogen 2.767 N/A GLY 95.A N ARG 91.A O no hydrogen 2.724 N/A GLU 96.A N VAL 92.A O no hydrogen 3.070 N/A ILE 97.A N LEU 93.A O no hydrogen 3.215 N/A THR 98.A N PHE 94.A O no hydrogen 2.998 N/A THR 98.A OG1 PHE 94.A O no hydrogen 3.533 N/A THR 98.A OG1 GLY 95.A O no hydrogen 2.598 N/A ARG 99.A N GLY 95.A O no hydrogen 3.095 N/A ARG 99.A NH1 GLU 96.A OE1 no hydrogen 3.295 N/A ILE 100.A N GLU 96.A O no hydrogen 2.979 N/A LEU 101.A N ILE 97.A O no hydrogen 3.034 N/A ASN 102.A N THR 98.A O no hydrogen 2.788 N/A HIS 103.A N ARG 99.A O no hydrogen 2.987 N/A ILE 104.A N ILE 100.A O no hydrogen 2.818 N/A MET 105.A N LEU 101.A O no hydrogen 3.003 N/A ALA 106.A N ASN 102.A O no hydrogen 2.619 N/A VAL 107.A N HIS 103.A O no hydrogen 2.756 N/A THR 108.A N ILE 104.A O no hydrogen 3.163 N/A THR 108.A OG1 ILE 104.A O no hydrogen 2.623 N/A THR 109.A N MET 105.A O no hydrogen 3.053 N/A THR 109.A OG1 MET 105.A O no hydrogen 2.599 N/A HIS 110.A N ALA 106.A O no hydrogen 3.159 N/A ALA 111.A N VAL 107.A O no hydrogen 3.194 N/A LEU 112.A N THR 108.A O no hydrogen 3.137 N/A ASP 113.A N THR 109.A O no hydrogen 3.195 N/A ILE 114.A N HIS 110.A O no hydrogen 2.884 N/A GLY 115.A N ALA 111.A O no hydrogen 2.537 N/A ALA 116.A N ALA 111.A O no hydrogen 2.767 N/A TRP 122.A N THR 118.A O no hydrogen 3.168 N/A MET 123.A N PRO 119.A O no hydrogen 3.129 N/A PHE 124.A N PHE 120.A O no hydrogen 2.855 N/A GLU 125.A N PHE 121.A O no hydrogen 3.359 N/A ARG 127.A N MET 123.A O no hydrogen 2.854 N/A ARG 127.A N PHE 124.A O no hydrogen 3.033 N/A GLU 128.A N PHE 124.A O no hydrogen 2.938 N/A LYS 129.A N GLU 125.A O no hydrogen 3.219 N/A MET 130.A N GLU 126.A O no hydrogen 3.438 N/A PHE 131.A N ARG 127.A O no hydrogen 2.771 N/A GLU 132.A N GLU 128.A O no hydrogen 3.086 N/A TYR 134.A N MET 130.A O no hydrogen 3.323 N/A GLU 135.A N PHE 131.A O no hydrogen 2.908 N/A ARG 136.A N GLU 132.A O no hydrogen 2.843 N/A VAL 137.A N TYR 134.A O no hydrogen 3.105 N/A SER 138.A N TYR 134.A O no hydrogen 2.832 N/A SER 138.A OG TYR 134.A O no hydrogen 2.669 N/A ALA 140.A N SER 138.A OG no hydrogen 2.966 N/A ARG 141.A NH2 GLU 128.A OE2 no hydrogen 3.200 N/A HIS 143.A ND1 ASP 57.A O no hydrogen 2.825 N/A ALA 145.A N GLU 68.A OE2 no hydrogen 3.030 N/A TYR 146.A N GLU 68.A OE1 no hydrogen 3.132 N/A TYR 146.A OH GLN 154.A O no hydrogen 2.469 N/A ILE 147.A N GLU 68.A OE1 no hydrogen 2.878 N/A ARG 148.A N TYR 146.A O no hydrogen 3.075 N/A ARG 148.A NE ALA 145.A O no hydrogen 3.355 N/A GLY 150.A N GLU 76.A OE2 no hydrogen 3.090 N/A GLY 151.A N ARG 148.A O no hydrogen 2.996 N/A VAL 152.A N ILE 276.A O no hydrogen 2.897 N/A HIS 153.A N TYR 146.A O no hydrogen 3.112 N/A LEU 160.A N PRO 157.A O no hydrogen 3.399 N/A ASP 163.A N GLY 159.A O no hydrogen 3.338 N/A ILE 164.A N LEU 160.A O no hydrogen 2.842 N/A TYR 165.A N LEU 161.A O no hydrogen 2.999 N/A GLU 166.A N ASP 162.A O no hydrogen 3.077 N/A PHE 167.A N ASP 163.A O no hydrogen 3.050 N/A SER 168.A N ILE 164.A O no hydrogen 2.882 N/A SER 168.A OG ILE 164.A O no hydrogen 2.795 N/A SER 168.A OG TYR 165.A O no hydrogen 2.956 N/A LYS 169.A N TYR 165.A O no hydrogen 2.572 N/A LYS 169.A NZ ASN 170.A OD1 no hydrogen 3.031 N/A ASN 170.A N GLU 166.A O no hydrogen 3.401 N/A PHE 171.A N SER 168.A O no hydrogen 3.353 N/A ILE 175.A N PHE 171.A O no hydrogen 3.118 N/A ASP 176.A N SER 172.A O no hydrogen 3.452 N/A GLU 177.A N LEU 173.A O no hydrogen 3.119 N/A VAL 178.A N ARG 174.A O no hydrogen 3.200 N/A GLU 179.A N ILE 175.A O no hydrogen 2.622 N/A GLU 180.A N ASP 176.A O no hydrogen 2.329 N/A MET 181.A N GLU 177.A O no hydrogen 3.192 N/A LEU 182.A N VAL 178.A O no hydrogen 2.894 N/A THR 183.A N GLU 179.A O no hydrogen 2.824 N/A THR 183.A OG1 GLU 179.A O no hydrogen 3.304 N/A THR 183.A OG1 GLU 179.A OE2 no hydrogen 2.427 N/A ARG 189.A N ASN 185.A O no hydrogen 3.163 N/A ASN 190.A N ARG 186.A O no hydrogen 3.050 N/A ARG 191.A N ILE 187.A O no hydrogen 3.193 N/A ARG 191.A NH1 ILE 114.A O no hydrogen 3.088 N/A THR 192.A N TRP 188.A O no hydrogen 2.764 N/A THR 192.A OG1 TRP 188.A O no hydrogen 2.805 N/A VAL 193.A N ARG 189.A O no hydrogen 2.539 N/A ASP 194.A N ASP 245.A OD2 no hydrogen 2.701 N/A GLY 196.A N HIS 362.A NE2 no hydrogen 3.323 N/A VAL 198.A N GLY 244.A O no hydrogen 3.038 N/A THR 199.A OG1 ASP 202.A OD2 no hydrogen 2.588 N/A ALA 203.A N THR 199.A O no hydrogen 3.036 N/A LEU 204.A N ALA 200.A O no hydrogen 3.242 N/A ASN 205.A N GLU 201.A O no hydrogen 2.931 N/A TYR 206.A N ASP 202.A O no hydrogen 2.864 N/A GLY 207.A N LEU 204.A O no hydrogen 3.007 N/A PHE 208.A N ALA 203.A O no hydrogen 3.000 N/A SER 209.A OG GLY 207.A O no hydrogen 3.354 N/A SER 209.A OG PHE 208.A O no hydrogen 2.744 N/A SER 209.A OG SER 209.A O no hydrogen 2.658 N/A ARG 214.A N GLY 210.A O no hydrogen 3.076 N/A ARG 214.A NE GLY 210.A O no hydrogen 3.397 N/A GLY 215.A N VAL 211.A O no hydrogen 2.628 N/A SER 216.A OG VAL 198.A O no hydrogen 3.080 N/A SER 216.A OG MET 212.A O no hydrogen 3.143 N/A GLY 217.A N ARG 214.A O no hydrogen 2.946 N/A ARG 223.A NE ASP 221.A OD1 no hydrogen 3.536 N/A ARG 223.A NE ASP 221.A OD2 no hydrogen 2.790 N/A ARG 223.A NH1 GLU 96.A OE2 no hydrogen 3.305 N/A ARG 223.A NH2 ASP 221.A OD2 no hydrogen 2.918 N/A TYR 231.A N TYR 228.A O no hydrogen 3.189 N/A TYR 231.A OH GLU 96.A OE2 no hydrogen 2.713 N/A GLN 233.A N VAL 230.A O no hydrogen 2.735 N/A VAL 234.A N TYR 231.A O no hydrogen 3.212 N/A GLU 235.A N GLN 266.A OE1 no hydrogen 2.661 N/A ASP 237.A N GLN 259.A OE1 no hydrogen 3.100 N/A GLY 241.A N ARG 214.A O no hydrogen 3.061 N/A SER 242.A N ASP 248.A OD2 no hydrogen 2.621 N/A ARG 243.A N ASP 248.A OD2 no hydrogen 2.596 N/A CYS 246.A SG ILE 195.A O no hydrogen 3.384 N/A CYS 246.A SG THR 373.A OG1 no hydrogen 3.672 N/A TYR 247.A OH THR 183.A O no hydrogen 2.582 N/A ASP 248.A N ASP 245.A O no hydrogen 2.699 N/A ASP 248.A N ASP 245.A OD1 no hydrogen 3.174 N/A ARG 249.A N ASP 245.A O no hydrogen 2.829 N/A ARG 249.A NH1 GLY 244.A O no hydrogen 3.170 N/A ARG 249.A NH2 GLY 196.A O no hydrogen 3.083 N/A TYR 250.A N CYS 246.A O no hydrogen 2.534 N/A TYR 250.A OH GLU 179.A OE1 no hydrogen 3.301 N/A LEU 251.A N TYR 247.A O no hydrogen 3.149 N/A CYS 252.A N ASP 248.A O no hydrogen 2.997 N/A CYS 252.A SG PRO 239.A O no hydrogen 3.135 N/A CYS 252.A SG ASP 248.A O no hydrogen 2.972 N/A ARG 253.A N ARG 249.A O no hydrogen 3.051 N/A ARG 253.A NH1 THR 373.A O no hydrogen 3.117 N/A ARG 253.A NH2 THR 373.A O no hydrogen 2.505 N/A VAL 254.A N TYR 250.A O no hydrogen 2.971 N/A GLU 255.A N LEU 251.A O no hydrogen 2.945 N/A GLU 256.A N CYS 252.A O no hydrogen 2.899 N/A MET 257.A N ARG 253.A O no hydrogen 3.220 N/A ARG 258.A N VAL 254.A O no hydrogen 3.213 N/A GLN 259.A N GLU 255.A O no hydrogen 2.688 N/A SER 260.A N GLU 256.A O no hydrogen 2.709 N/A SER 260.A OG GLU 256.A O no hydrogen 2.982 N/A SER 260.A OG MET 257.A O no hydrogen 2.555 N/A LEU 261.A N MET 257.A O no hydrogen 3.151 N/A ARG 262.A N ARG 258.A O no hydrogen 3.243 N/A ARG 262.A NH1 ASP 237.A OD2 no hydrogen 2.978 N/A ARG 262.A NH1 GLN 259.A OE1 no hydrogen 3.056 N/A ILE 263.A N GLN 259.A O no hydrogen 3.033 N/A ILE 264.A N SER 260.A O no hydrogen 2.746 N/A GLU 265.A N LEU 261.A O no hydrogen 2.905 N/A GLN 266.A N ARG 262.A O no hydrogen 3.215 N/A CYS 267.A N ILE 263.A O no hydrogen 3.002 N/A CYS 267.A SG ILE 263.A O no hydrogen 3.174 N/A LEU 268.A N ILE 264.A O no hydrogen 3.092 N/A ASN 269.A N GLU 265.A O no hydrogen 3.131 N/A LYS 270.A N GLN 266.A O no hydrogen 2.755 N/A LYS 270.A NZ GLN 233.A O no hydrogen 2.878 N/A LYS 277.A NZ HIS 153.A O no hydrogen 3.171 N/A VAL 278.A N GLY 150.A O no hydrogen 2.619 N/A LYS 282.A NZ HIS 300.A NE2 no hydrogen 2.996 N/A VAL 283.A N ASP 280.A O no hydrogen 3.116 N/A SER 284.A N ASP 280.A O no hydrogen 3.088 N/A SER 284.A N ALA 281.A O no hydrogen 3.006 N/A SER 284.A OG VAL 278.A O no hydrogen 2.818 N/A SER 284.A OG ASP 279.A O no hydrogen 3.365 N/A SER 284.A OG ASP 280.A O no hydrogen 2.628 N/A MET 291.A N LYS 287.A O no hydrogen 3.079 N/A LYS 292.A N ALA 289.A O no hydrogen 3.290 N/A THR 293.A N GLU 290.A O no hydrogen 3.054 N/A THR 293.A OG1 ALA 289.A O no hydrogen 2.820 N/A THR 293.A OG1 GLU 290.A O no hydrogen 3.547 N/A SER 294.A N GLU 290.A O no hydrogen 2.896 N/A SER 294.A OG GLU 290.A O no hydrogen 2.931 N/A SER 294.A OG SER 297.A OG no hydrogen 2.700 N/A GLU 296.A N GLU 296.A OE1 no hydrogen 2.690 N/A SER 297.A OG SER 294.A OG no hydrogen 2.700 N/A LEU 298.A N SER 294.A O no hydrogen 3.207 N/A ILE 299.A N MET 295.A O no hydrogen 2.981 N/A HIS 300.A N GLU 296.A O no hydrogen 3.028 N/A HIS 301.A N SER 297.A O no hydrogen 2.843 N/A PHE 302.A N LEU 298.A O no hydrogen 2.827 N/A LYS 303.A N ILE 299.A O no hydrogen 2.889 N/A LEU 304.A N HIS 300.A O no hydrogen 3.022 N/A TYR 305.A N HIS 301.A O no hydrogen 3.084 N/A THR 306.A N PHE 302.A O no hydrogen 3.011 N/A THR 306.A OG1 PHE 302.A O no hydrogen 2.926 N/A THR 306.A OG1 LYS 303.A O no hydrogen 3.434 N/A GLU 307.A N LYS 303.A O no hydrogen 2.758 N/A GLY 308.A N LYS 303.A O no hydrogen 3.198 N/A GLY 314.A N SER 333.A O no hydrogen 2.891 N/A THR 316.A N LEU 331.A O no hydrogen 3.147 N/A TYR 317.A OH GLU 326.A OE2 no hydrogen 3.083 N/A THR 318.A N VAL 329.A O no hydrogen 3.343 N/A ILE 320.A N PHE 327.A O no hydrogen 3.112 N/A ALA 322.A N ILE 320.A O no hydrogen 3.071 N/A LYS 324.A NZ ASP 375.A O no hydrogen 2.707 N/A GLU 326.A N SER 209.A O no hydrogen 3.133 N/A PHE 327.A N ILE 320.A O no hydrogen 3.166 N/A GLY 328.A N LYS 345.A O no hydrogen 3.313 N/A VAL 329.A N THR 318.A O no hydrogen 3.216 N/A TYR 330.A N LYS 343.A O no hydrogen 2.867 N/A LEU 331.A N THR 316.A O no hydrogen 3.006 N/A VAL 332.A N ARG 341.A O no hydrogen 2.970 N/A SER 333.A N GLY 314.A O no hydrogen 2.679 N/A SER 333.A OG TYR 49.A OH no hydrogen 2.667 N/A SER 333.A OG ASP 334.A O no hydrogen 2.748 N/A SER 336.A OG ARG 338.A O no hydrogen 3.084 N/A SER 337.A OG GLU 307.A O no hydrogen 3.438 N/A TYR 340.A N VAL 332.A O no hydrogen 3.163 N/A ARG 341.A N VAL 332.A O no hydrogen 3.422 N/A ARG 341.A NH2 GLU 41.A OE1 no hydrogen 3.513 N/A LYS 343.A N TYR 330.A O no hydrogen 2.929 N/A ILE 344.A N GLU 41.A OE2 no hydrogen 3.303 N/A LYS 345.A N GLY 328.A O no hydrogen 2.611 N/A PHE 349.A N ALA 346.A O no hydrogen 3.122 N/A LEU 352.A N GLY 348.A O no hydrogen 2.971 N/A GLY 354.A N ALA 350.A O no hydrogen 3.305 N/A LEU 355.A N LEU 352.A O no hydrogen 3.067 N/A MET 358.A N GLY 354.A O no hydrogen 2.713 N/A SER 359.A N LEU 355.A O no hydrogen 2.721 N/A SER 359.A OG LEU 355.A O no hydrogen 2.688 N/A SER 359.A OG SER 359.A O no hydrogen 2.324 N/A ASP 366.A N MET 363.A O no hydrogen 3.175 N/A VAL 367.A N LEU 364.A O no hydrogen 3.174 N/A ILE 370.A N ASP 366.A O no hydrogen 2.775 N/A ILE 371.A N VAL 367.A O no hydrogen 2.994 N/A GLY 372.A N VAL 368.A O no hydrogen 3.277 N/A THR 373.A N ALA 369.A O no hydrogen 2.958 N/A THR 373.A N ILE 370.A O no hydrogen 3.297 N/A THR 373.A OG1 ALA 369.A O no hydrogen 3.040 N/A THR 373.A OG1 ILE 370.A O no hydrogen 2.994 N/A GLN 374.A N ILE 371.A O no hydrogen 3.137 N/A ASP 375.A N GLY 372.A O no hydrogen 3.368 N/A VAL 377.A N GLU 380.A OE2 no hydrogen 3.386 N/A ASP 382.A N PHE 378.A O no hydrogen 2.795 N/A ARG 383.A N GLY 379.A O no hydrogen 2.839 N/A