Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qhu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N ILE 1.A O no hydrogen 2.797 N/A SER 5.A N GLU 2.A O no hydrogen 3.217 N/A SER 5.A OG GLU 2.A O no hydrogen 2.695 N/A ASP 11.A N PHE 24.A O no hydrogen 2.799 N/A ALA 12.A N PHE 24.A O no hydrogen 3.387 N/A THR 13.A OG1 ALA 138.A O no hydrogen 2.873 N/A THR 14.A N LEU 22.A O no hydrogen 3.211 N/A THR 14.A OG1 LEU 15.A O no hydrogen 3.109 N/A ASP 16.A N THR 20.A O no hydrogen 2.810 N/A ASN 18.A N ASP 16.A OD1 no hydrogen 2.826 N/A GLY 19.A N ASP 16.A O no hydrogen 3.117 N/A THR 20.A N ASP 16.A OD1 no hydrogen 2.658 N/A THR 20.A OG1 ASP 16.A OD1 no hydrogen 3.507 N/A LEU 22.A N THR 14.A O no hydrogen 2.651 N/A PHE 23.A N TRP 30.A O no hydrogen 2.859 N/A PHE 24.A N ALA 12.A O no hydrogen 3.118 N/A LYS 25.A N PHE 28.A O no hydrogen 3.001 N/A ASP 26.A N ASP 11.A OD2 no hydrogen 2.946 N/A GLU 27.A N GLU 27.A OE2 no hydrogen 2.912 N/A PHE 28.A N LYS 25.A O no hydrogen 2.964 N/A VAL 29.A N GLU 38.A O no hydrogen 2.986 N/A TRP 30.A N PHE 23.A O no hydrogen 2.772 N/A LYS 31.A N ILE 36.A O no hydrogen 2.926 N/A SER 32.A N MET 21.A O no hydrogen 2.883 N/A SER 32.A OG LYS 31.A O no hydrogen 2.501 N/A HIS 33.A ND1 SER 177.A OG no hydrogen 2.460 N/A ARG 34.A N SER 32.A OG no hydrogen 3.154 N/A GLY 35.A N SER 32.A O no hydrogen 3.189 N/A ILE 36.A N LYS 31.A O no hydrogen 3.298 N/A GLU 38.A N VAL 29.A O no hydrogen 3.128 N/A ILE 40.A N GLU 27.A O no hydrogen 2.955 N/A GLU 42.A N LEU 39.A O no hydrogen 2.679 N/A TRP 44.A N ILE 40.A O no hydrogen 2.820 N/A LYS 45.A N ARG 43.A O no hydrogen 2.709 N/A LYS 45.A NZ SER 41.A O no hydrogen 2.667 N/A LYS 45.A NZ GLU 42.A O no hydrogen 2.914 N/A PHE 47.A N TRP 44.A O no hydrogen 2.927 N/A ASP 52.A N ILE 65.A O no hydrogen 2.744 N/A ALA 53.A N ILE 65.A O no hydrogen 3.349 N/A PHE 55.A N TYR 63.A O no hydrogen 3.097 N/A ARG 56.A N GLU 95.A OE1 no hydrogen 2.822 N/A ARG 56.A NH1 ASP 16.A O no hydrogen 2.855 N/A ARG 56.A NH1 ASP 226.A OD1 no hydrogen 3.191 N/A ARG 56.A NH2 ASP 226.A OD1 no hydrogen 3.548 N/A ARG 56.A NH2 ASP 226.A OD2 no hydrogen 2.573 N/A HIS 57.A N SER 61.A O no hydrogen 2.742 N/A SER 61.A N HIS 57.A O no hydrogen 3.271 N/A VAL 62.A N TYR 73.A O no hydrogen 3.198 N/A TYR 63.A N PHE 55.A O no hydrogen 2.927 N/A LEU 64.A N TRP 71.A O no hydrogen 2.884 N/A ILE 65.A N ALA 53.A O no hydrogen 3.017 N/A LYS 66.A N LYS 69.A O no hydrogen 3.129 N/A LYS 66.A NZ ILE 48.A O no hydrogen 3.232 N/A LYS 69.A N LYS 66.A O no hydrogen 3.092 N/A VAL 70.A N LYS 77.A O no hydrogen 2.721 N/A TRP 71.A N LEU 64.A O no hydrogen 2.847 N/A TYR 73.A N VAL 62.A O no hydrogen 2.844 N/A LYS 77.A N VAL 70.A O no hydrogen 3.006 N/A SER 78.A OG ASP 81.A OD2 no hydrogen 3.026 N/A LEU 79.A N ASP 68.A O no hydrogen 2.753 N/A GLN 80.A N GLN 80.A OE1 no hydrogen 2.813 N/A GLN 80.A NE2 ASP 68.A OD2 no hydrogen 3.293 N/A ASP 81.A N SER 78.A O no hydrogen 3.040 N/A GLU 82.A N SER 78.A O no hydrogen 3.066 N/A PHE 83.A N LEU 79.A O no hydrogen 2.561 N/A ILE 86.A N PHE 83.A O no hydrogen 3.306 N/A ASP 91.A N PHE 109.A O no hydrogen 2.896 N/A ALA 92.A N PHE 109.A O no hydrogen 3.205 N/A VAL 94.A N LEU 107.A O no hydrogen 3.008 N/A GLU 95.A N GLU 95.A OE1 no hydrogen 3.075 N/A CYS 96.A N GLY 105.A O no hydrogen 2.830 N/A CYS 96.A SG TYR 145.A OH no hydrogen 3.337 N/A HIS 97.A N TYR 145.A OH no hydrogen 3.328 N/A ARG 98.A N GLU 104.A OE1 no hydrogen 3.013 N/A GLY 99.A N CYS 101.A O no hydrogen 2.749 N/A GLU 100.A N HIS 97.A O no hydrogen 2.941 N/A CYS 101.A N HIS 97.A O no hydrogen 2.811 N/A CYS 101.A SG PRO 158.A O no hydrogen 3.525 N/A GLY 105.A N CYS 96.A O no hydrogen 2.902 N/A ILE 106.A N TRP 117.A O no hydrogen 3.138 N/A LEU 107.A N VAL 94.A O no hydrogen 2.764 N/A PHE 108.A N TRP 115.A O no hydrogen 2.969 N/A PHE 109.A N ALA 92.A O no hydrogen 2.957 N/A GLN 110.A N ARG 113.A O no hydrogen 2.900 N/A GLN 110.A NE2 PRO 89.A O no hydrogen 3.596 N/A GLY 111.A N ASP 91.A OD2 no hydrogen 2.583 N/A ASN 112.A ND2 GLY 133.A O no hydrogen 3.575 N/A ARG 113.A N GLN 110.A O no hydrogen 2.945 N/A LYS 114.A NZ ASN 112.A O no hydrogen 2.662 N/A LYS 114.A NZ TRP 129.A O no hydrogen 2.903 N/A TRP 115.A N PHE 108.A O no hydrogen 3.135 N/A PHE 116.A N LYS 125.A O no hydrogen 2.895 N/A TRP 117.A N ILE 106.A O no hydrogen 2.912 N/A ASP 118.A N THR 123.A O no hydrogen 2.913 N/A LEU 119.A N GLU 104.A O no hydrogen 3.278 N/A THR 120.A N ASP 118.A OD1 no hydrogen 3.092 N/A THR 121.A N ASP 118.A OD1 no hydrogen 3.386 N/A THR 121.A OG1 ASP 118.A OD1 no hydrogen 3.501 N/A GLY 122.A N ASP 118.A O no hydrogen 2.850 N/A THR 123.A OG1 THR 121.A O no hydrogen 3.264 N/A LYS 124.A NZ GLY 85.A O no hydrogen 2.579 N/A LYS 125.A N PHE 116.A O no hydrogen 3.163 N/A ARG 127.A N LYS 114.A O no hydrogen 2.797 N/A THR 136.A N PHE 148.A O no hydrogen 2.854 N/A THR 136.A OG1 PHE 148.A O no hydrogen 3.120 N/A LEU 139.A N TYR 146.A O no hydrogen 3.024 N/A ARG 140.A NE GLU 100.A OE1 no hydrogen 2.840 N/A ARG 140.A NH2 GLU 100.A OE1 no hydrogen 3.309 N/A ARG 140.A NH2 GLU 100.A OE2 no hydrogen 2.889 N/A TRP 141.A N ARG 144.A O no hydrogen 2.880 N/A TRP 141.A NE1 ASP 226.A O no hydrogen 3.053 N/A ARG 144.A N TRP 141.A O no hydrogen 3.086 N/A ARG 144.A NE TYR 146.A OH no hydrogen 3.358 N/A TYR 145.A OH GLU 100.A OE1 no hydrogen 2.770 N/A TYR 146.A N LEU 139.A O no hydrogen 2.875 N/A CYS 147.A N LEU 154.A O no hydrogen 3.114 N/A CYS 147.A SG PHE 148.A O no hydrogen 4.017 N/A PHE 148.A N SER 137.A O no hydrogen 2.940 N/A GLN 149.A N GLN 152.A O no hydrogen 2.697 N/A GLY 150.A N THR 136.A OG1 no hydrogen 3.217 N/A ASN 151.A ND2 SER 5.A O no hydrogen 3.251 N/A GLN 152.A N GLN 149.A O no hydrogen 3.073 N/A PHE 153.A N LEU 169.A O no hydrogen 3.176 N/A LEU 154.A N CYS 147.A O no hydrogen 2.973 N/A ARG 155.A NE TYR 167.A OH no hydrogen 3.126 N/A ARG 155.A NH2 TYR 167.A OH no hydrogen 3.454 N/A PHE 156.A N TYR 145.A O no hydrogen 3.120 N/A ASN 157.A N GLU 162.A O no hydrogen 3.174 N/A VAL 159.A N ASN 157.A OD1 no hydrogen 3.157 N/A SER 160.A N ASN 157.A OD1 no hydrogen 3.234 N/A GLY 161.A N ASN 157.A O no hydrogen 2.842 N/A LEU 169.A N PHE 153.A O no hydrogen 3.434 N/A VAL 171.A N ASN 151.A O no hydrogen 2.819 N/A ARG 172.A N ASP 170.A OD1 no hydrogen 2.814 N/A ARG 172.A NE ASP 170.A OD1 no hydrogen 2.998 N/A ARG 172.A NE ASP 170.A OD2 no hydrogen 3.474 N/A ARG 172.A NH1 CYS 4.A O no hydrogen 3.086 N/A ARG 172.A NH2 ASP 170.A OD2 no hydrogen 2.854 N/A ASP 173.A N ASP 170.A O no hydrogen 3.084 N/A TYR 174.A N VAL 171.A O no hydrogen 3.261 N/A PHE 175.A N VAL 171.A O no hydrogen 2.907 N/A LEU 176.A N VAL 171.A O no hydrogen 3.303 N/A SER 177.A N HIS 33.A O no hydrogen 3.101 N/A ARG 181.A N CYS 178.A O no hydrogen 2.751 N/A ARG 181.A NE ASP 173.A OD1 no hydrogen 3.004 N/A ARG 181.A NH2 ASP 173.A OD2 no hydrogen 2.853 N/A GLY 182.A N ASP 173.A OD1 no hydrogen 3.039 N/A HIS 183.A ND1 ASP 173.A O no hydrogen 2.909 N/A HIS 188.A ND1 SER 230.A OG no hydrogen 3.120 N/A GLU 189.A N HIS 186.A NE2 no hydrogen 2.730 N/A SER 190.A OG GLY 187.A O no hydrogen 2.772 N/A THR 191.A N HIS 188.A O no hydrogen 2.831 N/A ARG 192.A NE GLU 189.A OE2 no hydrogen 2.991 N/A ARG 192.A NH1 LEU 394.A O no hydrogen 3.162 N/A ASP 194.A N THR 191.A O no hydrogen 2.734 N/A ASP 196.A N ASP 194.A OD1 no hydrogen 3.195 N/A LEU 197.A N ASP 194.A O no hydrogen 3.119 N/A SER 200.A N PHE 213.A O no hydrogen 2.763 N/A SER 200.A OG VAL 244.A O no hydrogen 2.565 N/A VAL 203.A N TYR 211.A O no hydrogen 3.257 N/A SER 204.A OG THR 210.A OG1 no hydrogen 2.874 N/A ASP 205.A N ALA 209.A O no hydrogen 2.761 N/A ASN 206.A ND2 THR 267.A OG1 no hydrogen 2.574 N/A HIS 207.A N ASP 205.A OD1 no hydrogen 2.893 N/A HIS 207.A NE2 THR 267.A O no hydrogen 2.685 N/A GLY 208.A N ASP 205.A O no hydrogen 2.992 N/A ALA 209.A N ASP 205.A OD1 no hydrogen 2.777 N/A THR 210.A N ASP 222.A OD1 no hydrogen 2.996 N/A THR 210.A OG1 SER 204.A OG no hydrogen 2.874 N/A THR 210.A OG1 GLY 208.A O no hydrogen 3.084 N/A TYR 211.A N VAL 203.A O no hydrogen 2.852 N/A TYR 211.A OH TYR 271.A OH no hydrogen 3.319 N/A VAL 212.A N TRP 219.A O no hydrogen 3.146 N/A PHE 213.A N ALA 201.A O no hydrogen 2.860 N/A SER 214.A N HIS 217.A O no hydrogen 2.914 N/A SER 214.A OG VAL 198.A O no hydrogen 2.749 N/A SER 216.A OG SER 242.A O no hydrogen 3.054 N/A HIS 217.A N SER 214.A O no hydrogen 3.108 N/A TYR 218.A N TRP 231.A O no hydrogen 3.087 N/A TRP 219.A N VAL 212.A O no hydrogen 2.919 N/A TRP 219.A NE1 GLU 189.A OE1 no hydrogen 2.999 N/A ARG 220.A NE ASP 222.A OD1 no hydrogen 2.800 N/A ARG 220.A NE ASP 222.A OD2 no hydrogen 3.461 N/A ARG 220.A NH1 GLU 100.A OE2 no hydrogen 3.061 N/A ARG 220.A NH2 ASP 222.A OD2 no hydrogen 2.844 N/A LEU 221.A N THR 210.A O no hydrogen 2.870 N/A ARG 225.A NE ASP 17.A O no hydrogen 3.509 N/A ASP 226.A N THR 223.A O no hydrogen 2.907 N/A GLY 227.A N ASN 224.A O no hydrogen 3.351 N/A HIS 229.A ND1 SER 230.A O no hydrogen 2.967 N/A SER 230.A N GLU 189.A OE1 no hydrogen 3.083 N/A SER 230.A OG HIS 188.A ND1 no hydrogen 3.120 N/A TRP 231.A N TYR 218.A O no hydrogen 3.016 N/A ILE 233.A N SER 216.A O no hydrogen 2.974 N/A HIS 235.A N PRO 232.A O no hydrogen 2.851 N/A GLN 236.A N ILE 233.A O no hydrogen 3.164 N/A TRP 237.A N ILE 233.A O no hydrogen 2.965 N/A GLY 240.A N TRP 237.A O no hydrogen 3.367 N/A SER 242.A OG GLN 258.A OE1 no hydrogen 3.385 N/A THR 243.A OG1 GLN 258.A OE1 no hydrogen 2.912 N/A ASP 245.A N ILE 257.A O no hydrogen 3.017 N/A PHE 248.A N TYR 255.A O no hydrogen 3.364 N/A SER 249.A OG SER 204.A O no hydrogen 2.941 N/A TRP 250.A N LYS 253.A O no hydrogen 3.158 N/A LYS 253.A N TRP 250.A O no hydrogen 2.714 N/A LEU 254.A N PHE 265.A O no hydrogen 3.032 N/A TYR 255.A N PHE 248.A O no hydrogen 2.926 N/A LEU 256.A N TYR 263.A O no hydrogen 3.043 N/A ILE 257.A N ALA 246.A O no hydrogen 3.072 N/A GLN 258.A N LYS 261.A O no hydrogen 2.924 N/A ASP 259.A N ASP 245.A OD2 no hydrogen 2.835 N/A THR 260.A N ASP 259.A OD1 no hydrogen 2.730 N/A THR 260.A OG1 GLU 294.A O no hydrogen 2.885 N/A LYS 261.A N GLN 258.A O no hydrogen 2.866 N/A LYS 261.A NZ ASP 259.A OD1 no hydrogen 3.543 N/A LYS 261.A NZ ASP 259.A OD2 no hydrogen 3.532 N/A VAL 262.A N LYS 279.A O no hydrogen 2.852 N/A TYR 263.A N LEU 256.A O no hydrogen 2.868 N/A PHE 265.A N LEU 254.A O no hydrogen 2.816 N/A LEU 266.A N THR 272.A O no hydrogen 2.812 N/A THR 267.A OG1 HIS 207.A NE2 no hydrogen 3.129 N/A THR 267.A OG1 ASP 252.A O no hydrogen 3.405 N/A LYS 268.A NZ ASP 252.A O no hydrogen 3.447 N/A GLY 270.A N GLY 99.A O no hydrogen 2.869 N/A TYR 271.A OH ASP 205.A OD2 no hydrogen 2.675 N/A TYR 271.A OH TYR 211.A OH no hydrogen 3.319 N/A THR 272.A N LEU 266.A O no hydrogen 3.151 N/A VAL 274.A N VAL 264.A O no hydrogen 2.880 N/A TYR 277.A N VAL 274.A O no hydrogen 2.941 N/A TYR 277.A OH GLU 284.A OE1 no hydrogen 3.174 N/A TYR 277.A OH GLU 284.A OE2 no hydrogen 3.198 N/A LYS 279.A N VAL 262.A O no hydrogen 2.938 N/A LYS 279.A NZ GLY 276.A O no hydrogen 3.232 N/A LEU 281.A N THR 260.A O no hydrogen 2.602 N/A LYS 283.A N ARG 280.A O no hydrogen 2.981 N/A GLU 284.A N ARG 280.A O no hydrogen 3.021 N/A LEU 285.A N LEU 281.A O no hydrogen 2.921 N/A GLY 286.A N GLU 282.A O no hydrogen 2.991 N/A SER 287.A OG PRO 288.A O no hydrogen 3.182 N/A ASP 297.A N MET 311.A O no hydrogen 3.043 N/A ALA 298.A N MET 311.A O no hydrogen 3.330 N/A PHE 300.A N HIS 309.A O no hydrogen 3.150 N/A SER 305.A N CYS 302.A O no hydrogen 3.127 N/A SER 306.A OG ASP 320.A OD1 no hydrogen 3.193 N/A ARG 307.A N SER 305.A OG no hydrogen 3.201 N/A ARG 307.A NH1 HIS 309.A NE2 no hydrogen 3.188 N/A LEU 308.A N LEU 319.A O no hydrogen 2.854 N/A HIS 309.A N PHE 300.A O no hydrogen 2.920 N/A ILE 310.A N TRP 317.A O no hydrogen 3.058 N/A MET 311.A N ALA 298.A O no hydrogen 3.122 N/A ALA 312.A N ARG 315.A O no hydrogen 2.835 N/A GLY 313.A N ASP 297.A OD2 no hydrogen 3.068 N/A ARG 315.A N ALA 312.A O no hydrogen 2.907 N/A TRP 317.A N ILE 310.A O no hydrogen 3.150 N/A TRP 318.A N THR 330.A O no hydrogen 3.005 N/A LEU 319.A N LEU 308.A O no hydrogen 3.151 N/A LEU 321.A N SER 306.A O no hydrogen 2.763 N/A LYS 322.A N ASP 320.A OD1 no hydrogen 2.989 N/A SER 323.A N ASP 320.A O no hydrogen 2.878 N/A GLY 324.A N LEU 321.A O no hydrogen 3.434 N/A GLN 326.A N SER 323.A O no hydrogen 3.120 N/A ALA 327.A N GLY 324.A O no hydrogen 3.184 N/A TRP 329.A NE1 LEU 285.A O no hydrogen 3.041 N/A THR 330.A N TRP 318.A O no hydrogen 2.905 N/A LEU 332.A N LEU 316.A O no hydrogen 2.941 N/A TRP 334.A NE1 ARG 314.A O no hydrogen 2.887 N/A HIS 336.A NE2 TYR 372.A OH no hydrogen 2.810 N/A LYS 338.A NZ ASP 297.A OD2 no hydrogen 3.048 N/A ASP 340.A N ILE 364.A O no hydrogen 2.635 N/A LEU 343.A N TYR 362.A O no hydrogen 2.934 N/A MET 345.A N ASN 360.A O no hydrogen 3.278 N/A LYS 347.A NZ GLY 208.A O no hydrogen 3.176 N/A LEU 349.A N TYR 362.A OH no hydrogen 2.891 N/A SER 353.A OG ASN 360.A OD1 no hydrogen 2.955 N/A SER 355.A OG GLY 358.A O no hydrogen 3.242 N/A SER 355.A OG ARG 373.A O no hydrogen 2.836 N/A GLY 358.A N SER 355.A OG no hydrogen 3.084 N/A ASN 360.A N MET 345.A O no hydrogen 2.899 N/A LEU 361.A N TYR 372.A O no hydrogen 3.310 N/A TYR 362.A N LEU 343.A O no hydrogen 2.880 N/A LEU 363.A N TYR 370.A O no hydrogen 3.015 N/A ILE 364.A N GLY 341.A O no hydrogen 3.044 N/A HIS 365.A N ASN 368.A O no hydrogen 3.079 N/A GLY 366.A N ASP 340.A OD2 no hydrogen 2.841 N/A ASN 368.A N HIS 365.A O no hydrogen 2.970 N/A LEU 369.A N GLN 388.A O no hydrogen 2.793 N/A TYR 370.A N LEU 363.A O no hydrogen 2.984 N/A CYS 371.A SG LEU 361.A O no hydrogen 4.048 N/A TYR 372.A N LEU 361.A O no hydrogen 2.924 N/A TYR 372.A OH HIS 336.A NE2 no hydrogen 2.810 N/A LYS 377.A N HIS 374.A ND1 no hydrogen 3.358 N/A ASN 379.A N VAL 375.A O no hydrogen 3.100 N/A ALA 380.A N ASP 376.A O no hydrogen 3.141 N/A ALA 381.A N LYS 377.A O no hydrogen 3.007 N/A GLN 386.A NE2 PRO 387.A O no hydrogen 2.774 N/A GLN 388.A N LEU 369.A O no hydrogen 3.022 N/A VAL 390.A N PRO 367.A O no hydrogen 2.850 N/A ARG 392.A NH2 HIS 398.A OXT no hydrogen 3.396 N/A LEU 393.A N VAL 390.A O no hydrogen 2.589 N/A LEU 394.A N VAL 390.A O no hydrogen 3.335 N/A LEU 394.A N SER 391.A O no hydrogen 2.984 N/A GLY 395.A N ARG 392.A O no hydrogen 3.194 N/A CYS 396.A N SER 391.A O no hydrogen 3.157 N/A CYS 396.A SG ARG 192.A O no hydrogen 3.829 N/A CYS 396.A SG SER 391.A O no hydrogen 3.416 N/A CYS 396.A SG LEU 394.A O no hydrogen 3.889 N/A