Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4km8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 22.A N PHE 19.A O no hydrogen 3.029 N/A PHE 23.A N ALA 20.A O no hydrogen 3.098 N/A GLY 26.A N LEU 90.A O no hydrogen 3.003 N/A HIS 28.A N PRO 24.A O no hydrogen 2.909 N/A ALA 29.A N PRO 25.A O no hydrogen 3.096 N/A ILE 30.A N GLY 26.A O no hydrogen 3.462 N/A TYR 31.A N LEU 27.A O no hydrogen 2.926 N/A TYR 31.A OH PRO 42.A O no hydrogen 2.707 N/A GLY 32.A N HIS 28.A O no hydrogen 2.831 N/A GLU 33.A N ALA 29.A O no hydrogen 3.268 N/A CYS 34.A N ILE 30.A O no hydrogen 2.909 N/A CYS 34.A SG ILE 30.A O no hydrogen 3.580 N/A ARG 35.A N TYR 31.A O no hydrogen 2.764 N/A ARG 35.A NH1 ALA 15.A O no hydrogen 3.007 N/A ARG 35.A NH2 ALA 15.A O no hydrogen 2.887 N/A ARG 36.A N GLY 32.A O no hydrogen 3.082 N/A ARG 36.A NE GLU 33.A OE1 no hydrogen 3.223 N/A ARG 36.A NE GLU 33.A OE2 no hydrogen 3.188 N/A ARG 36.A NH2 GLU 33.A OE1 no hydrogen 2.694 N/A LEU 37.A N GLU 33.A O no hydrogen 3.410 N/A LEU 37.A N CYS 34.A O no hydrogen 3.156 N/A TYR 38.A N CYS 34.A O no hydrogen 2.917 N/A TYR 38.A OH ASN 68.A OD1 no hydrogen 2.706 N/A TYR 38.A OH HIS 81.A ND1 no hydrogen 2.703 N/A GLN 41.A N TYR 38.A O no hydrogen 2.932 N/A GLN 46.A NE2 SER 64.A OG no hydrogen 2.961 N/A VAL 47.A N VAL 63.A O no hydrogen 3.048 N/A ALA 49.A N ASP 61.A O no hydrogen 3.021 N/A GLY 55.A N TYR 52.A O no hydrogen 3.344 N/A LEU 60.A N GLN 134.A OE1 no hydrogen 2.946 N/A ASP 61.A N PHE 85.A O no hydrogen 2.850 N/A VAL 63.A N VAL 47.A O no hydrogen 2.917 N/A SER 64.A N ILE 83.A O no hydrogen 2.907 N/A MET 65.A N LEU 45.A O no hydrogen 2.994 N/A TYR 66.A N HIS 81.A O no hydrogen 2.908 N/A ARG 67.A NE GLU 78.A OE1 no hydrogen 2.886 N/A ARG 67.A NH2 GLU 78.A OE1 no hydrogen 2.638 N/A ASN 68.A N HIS 79.A O no hydrogen 2.881 N/A SER 71.A N ILE 76.A O no hydrogen 2.727 N/A ALA 74.A N SER 71.A O no hydrogen 2.638 N/A ASN 75.A N PRO 72.A O no hydrogen 3.147 N/A ILE 76.A N SER 71.A O no hydrogen 2.851 N/A HIS 79.A N ASN 68.A O no hydrogen 3.035 N/A HIS 79.A ND1 PRO 77.A O no hydrogen 2.810 N/A TRP 80.A N LEU 116.A O no hydrogen 2.763 N/A TRP 80.A NE1 GLU 122.A OE1 no hydrogen 2.873 N/A HIS 81.A N TYR 66.A O no hydrogen 2.942 N/A HIS 81.A ND1 TYR 38.A OH no hydrogen 2.703 N/A HIS 81.A NE2 ASP 174.A OD2 no hydrogen 2.967 N/A TYR 82.A N PHE 114.A O no hydrogen 2.826 N/A TYR 82.A OH PRO 126.A O no hydrogen 2.662 N/A ILE 83.A N SER 64.A O no hydrogen 2.982 N/A SER 84.A N LEU 112.A O no hydrogen 2.942 N/A SER 84.A OG GLU 111.A OE1 no hydrogen 2.749 N/A SER 84.A OG LEU 112.A O no hydrogen 3.325 N/A PHE 85.A N TYR 62.A O no hydrogen 3.001 N/A GLY 86.A N GLU 111.A OE2 no hydrogen 2.977 N/A LEU 87.A N GLU 111.A OE1 no hydrogen 3.104 N/A SER 88.A N GLU 111.A OE2 no hydrogen 2.985 N/A SER 88.A OG GLU 111.A OE2 no hydrogen 2.501 N/A ASP 89.A N SER 106.A OG no hydrogen 2.829 N/A TYR 91.A OH ASP 61.A OD2 no hydrogen 2.714 N/A GLY 92.A N ASP 89.A OD1 no hydrogen 2.782 N/A ARG 95.A NE ASP 93.A OD1 no hydrogen 3.252 N/A ARG 95.A NE ASP 93.A OD2 no hydrogen 2.894 N/A ARG 95.A NH2 ASP 93.A OD1 no hydrogen 2.709 N/A HIS 97.A NE2 GLY 86.A O no hydrogen 3.032 N/A PHE 99.A N ASN 94.A OD1 no hydrogen 2.851 N/A THR 102.A OG1 ASP 103.A OD1 no hydrogen 3.272 N/A SER 106.A N VAL 186.A O no hydrogen 3.097 N/A PHE 108.A N LEU 87.A O no hydrogen 2.999 N/A GLY 109.A N SER 106.A O no hydrogen 2.825 N/A GLU 111.A N THR 188.A O no hydrogen 3.011 N/A LEU 112.A N SER 84.A OG no hydrogen 2.874 N/A THR 113.A N LEU 190.A O no hydrogen 2.874 N/A THR 113.A OG1 ASP 174.A OD2 no hydrogen 2.858 N/A PHE 114.A N TYR 82.A O no hydrogen 3.027 N/A ARG 115.A NE GLN 191.A OE1 no hydrogen 2.872 N/A ARG 115.A NH1 HIS 79.A NE2 no hydrogen 3.052 N/A ARG 115.A NH1 GLN 176.A OE1 no hydrogen 3.153 N/A ARG 115.A NH2 ASP 174.A OD1 no hydrogen 2.776 N/A ARG 115.A NH2 GLN 176.A OE1 no hydrogen 3.205 N/A LEU 116.A N TRP 80.A O no hydrogen 2.853 N/A LYS 117.A N THR 228.A O no hydrogen 3.011 N/A ARG 118.A N GLU 78.A O no hydrogen 3.005 N/A ARG 118.A NE GLU 122.A O no hydrogen 2.900 N/A ARG 118.A NH2 GLU 122.A O no hydrogen 3.132 N/A GLU 119.A N GLU 122.A OE1 no hydrogen 2.652 N/A GLU 122.A N GLU 119.A O no hydrogen 3.284 N/A ALA 130.A N THR 127.A O no hydrogen 3.164 N/A LEU 132.A N TRP 128.A O no hydrogen 3.069 N/A MET 133.A N PRO 129.A O no hydrogen 2.867 N/A GLN 134.A N ALA 130.A O no hydrogen 2.861 N/A GLN 134.A NE2 LEU 60.A O no hydrogen 2.912 N/A GLY 135.A N GLU 131.A O no hydrogen 2.980 N/A LEU 136.A N LEU 132.A O no hydrogen 3.096 N/A ALA 137.A N MET 133.A O no hydrogen 2.973 N/A ARG 138.A N GLN 134.A O no hydrogen 2.848 N/A ARG 138.A NE PRO 57.A O no hydrogen 3.298 N/A ARG 138.A NH2 GLU 131.A OE1 no hydrogen 3.243 N/A TYR 139.A N GLY 135.A O no hydrogen 3.173 N/A VAL 140.A N LEU 136.A O no hydrogen 3.032 N/A PHE 141.A N ALA 137.A O no hydrogen 2.806 N/A GLN 142.A N ARG 138.A O no hydrogen 2.959 N/A SER 143.A N TYR 139.A O no hydrogen 3.394 N/A SER 143.A OG TYR 139.A O no hydrogen 2.955 N/A GLU 144.A N VAL 140.A O no hydrogen 2.959 N/A ASN 145.A N SER 143.A OG no hydrogen 3.298 N/A THR 146.A OG1 PHE 108.A O no hydrogen 3.478 N/A THR 146.A OG1 PHE 147.A O no hydrogen 3.454 N/A CYS 148.A N ASP 151.A OD2 no hydrogen 2.837 N/A CYS 148.A SG SER 149.A O no hydrogen 3.950 N/A CYS 148.A SG ASP 151.A OD1 no hydrogen 3.838 N/A CYS 148.A SG ASP 151.A OD2 no hydrogen 3.699 N/A SER 149.A OG GLU 173.A OE2 no hydrogen 2.799 N/A GLY 150.A N LEU 171.A O no hydrogen 2.595 N/A ASP 151.A N CYS 148.A O no hydrogen 3.193 N/A VAL 153.A N MET 169.A O no hydrogen 2.765 N/A SER 157.A OG PRO 158.A O no hydrogen 3.435 N/A LEU 159.A N ILE 166.A O no hydrogen 3.315 N/A ASN 161.A N PRO 158.A O no hydrogen 3.121 N/A SER 162.A N ASP 160.A OD1 no hydrogen 3.050 N/A SER 162.A OG ASP 160.A OD1 no hydrogen 2.730 N/A SER 162.A OG ASP 160.A OD2 no hydrogen 3.345 N/A SER 164.A N SER 162.A OG no hydrogen 2.959 N/A SER 164.A OG MET 230.A O no hydrogen 2.646 N/A ARG 165.A NH1 GLY 233.A O no hydrogen 2.837 N/A ARG 165.A NH1 GLU 238.A OE1 no hydrogen 2.939 N/A ARG 165.A NH1 GLU 238.A OE2 no hydrogen 3.514 N/A ARG 165.A NH2 GLU 198.A OE1 no hydrogen 2.949 N/A ARG 165.A NH2 GLU 238.A OE2 no hydrogen 3.147 N/A ILE 166.A N SER 164.A OG no hydrogen 3.205 N/A GLN 167.A N VAL 195.A O no hydrogen 2.997 N/A HIS 168.A N VAL 195.A O no hydrogen 3.019 N/A HIS 168.A NE2 HIS 156.A ND1 no hydrogen 3.287 N/A MET 169.A N VAL 153.A O no hydrogen 3.196 N/A LEU 170.A N VAL 193.A O no hydrogen 2.806 N/A LEU 171.A N ASP 151.A O no hydrogen 2.899 N/A THR 172.A N GLN 191.A O no hydrogen 2.991 N/A GLU 173.A N GLU 173.A OE2 no hydrogen 2.939 N/A ASP 174.A N PHE 189.A O no hydrogen 2.951 N/A GLN 176.A N ASP 174.A OD1 no hydrogen 2.843 N/A MET 177.A N ASP 174.A OD1 no hydrogen 2.941 N/A GLN 178.A N GLU 33.A OE1 no hydrogen 2.792 N/A GLN 178.A NE2 GLN 176.A O no hydrogen 3.353 N/A VAL 180.A N VAL 187.A O no hydrogen 2.932 N/A GLN 181.A NE2 THR 102.A O no hydrogen 2.869 N/A GLN 181.A NE2 THR 182.A O no hydrogen 2.974 N/A THR 182.A N GLY 185.A O no hydrogen 2.928 N/A THR 182.A OG1 GLY 185.A O no hydrogen 3.235 N/A PHE 184.A N THR 182.A OG1 no hydrogen 2.818 N/A GLY 185.A N THR 182.A O no hydrogen 3.224 N/A VAL 186.A N GLY 104.A O no hydrogen 2.930 N/A VAL 187.A N VAL 180.A O no hydrogen 2.939 N/A THR 188.A N GLY 109.A O no hydrogen 2.828 N/A THR 188.A OG1 GLY 109.A O no hydrogen 3.210 N/A LEU 190.A N GLU 111.A O no hydrogen 2.980 N/A GLN 191.A N THR 172.A O no hydrogen 2.640 N/A GLN 191.A NE2 TRP 225.A O no hydrogen 3.010 N/A ILE 192.A N THR 113.A O no hydrogen 2.835 N/A VAL 193.A N LEU 170.A O no hydrogen 2.798 N/A GLY 194.A N THR 228.A OG1 no hydrogen 3.089 N/A VAL 195.A N HIS 168.A O no hydrogen 2.796 N/A CYS 196.A N GLU 199.A OE2 no hydrogen 2.742 N/A CYS 196.A SG GLU 199.A OE2 no hydrogen 3.477 N/A GLU 198.A N GLU 198.A OE2 no hydrogen 2.787 N/A GLU 199.A N CYS 196.A O no hydrogen 2.924 N/A LEU 200.A N CYS 196.A O no hydrogen 2.949 N/A HIS 201.A N THR 197.A O no hydrogen 2.794 N/A SER 202.A N GLU 198.A O no hydrogen 3.191 N/A SER 202.A OG GLU 198.A O no hydrogen 3.074 N/A ALA 203.A N GLU 199.A O no hydrogen 3.093 N/A GLN 204.A N LEU 200.A O no hydrogen 3.177 N/A GLN 204.A NE2 HIS 152.A NE2 no hydrogen 3.647 N/A GLN 205.A N HIS 201.A O no hydrogen 3.045 N/A TRP 206.A N SER 202.A O no hydrogen 2.840 N/A TRP 206.A NE1 ASP 254.A OD2 no hydrogen 2.680 N/A GLN 209.A NE2 SER 149.A OG no hydrogen 2.955 N/A ILE 211.A N ASN 207.A O no hydrogen 3.346 N/A LEU 212.A N GLY 208.A O no hydrogen 2.927 N/A GLU 213.A N GLN 209.A O no hydrogen 3.005 N/A LEU 214.A N GLY 210.A O no hydrogen 3.149 N/A LEU 215.A N ILE 211.A O no hydrogen 2.898 N/A ARG 216.A N LEU 212.A O no hydrogen 3.145 N/A ARG 216.A NH1 GLU 213.A OE2 no hydrogen 2.948 N/A THR 217.A N LEU 214.A O no hydrogen 3.019 N/A THR 217.A OG1 LEU 214.A O no hydrogen 2.662 N/A VAL 218.A N LEU 215.A O no hydrogen 3.324 N/A ALA 221.A N VAL 218.A O no hydrogen 2.866 N/A GLY 223.A N LEU 215.A O no hydrogen 3.299 N/A LEU 226.A N GLY 223.A O no hydrogen 2.983 N/A ILE 227.A N GLY 222.A O no hydrogen 3.102 N/A THR 228.A N ARG 115.A O no hydrogen 2.815 N/A ARG 231.A N ASP 229.A OD1 no hydrogen 2.699 N/A ARG 231.A NH2 ASP 160.A OD2 no hydrogen 2.912 N/A ARG 232.A N ASP 229.A O no hydrogen 3.391 N/A ARG 232.A NH1 GLU 199.A OE1 no hydrogen 2.812 N/A ARG 232.A NH1 GLU 234.A O no hydrogen 2.951 N/A ARG 232.A NH2 GLU 199.A OE2 no hydrogen 3.062 N/A THR 235.A N GLU 238.A OE1 no hydrogen 3.043 N/A ILE 236.A N GLU 199.A OE1 no hydrogen 2.972 N/A PHE 237.A N THR 235.A OG1 no hydrogen 3.176 N/A GLU 238.A N THR 235.A OG1 no hydrogen 3.046 N/A ILE 239.A N THR 235.A O no hydrogen 2.964 N/A ASP 240.A N ILE 236.A O no hydrogen 3.008 N/A HIS 242.A N ASP 240.A OD1 no hydrogen 3.115 N/A LEU 243.A N ASP 240.A O no hydrogen 3.434 N/A GLN 244.A NE2 ASP 248.A OD2 no hydrogen 3.177 N/A ARG 246.A N LEU 243.A O no hydrogen 2.685 N/A VAL 247.A N LEU 243.A O no hydrogen 3.126 N/A ASP 248.A N GLN 244.A O no hydrogen 2.897 N/A LYS 249.A N GLU 245.A O no hydrogen 3.030 N/A LYS 249.A NZ GLU 252.A OE2 no hydrogen 3.023 N/A GLY 250.A N ARG 246.A O no hydrogen 2.794 N/A ILE 251.A N VAL 247.A O no hydrogen 2.941 N/A GLU 252.A N ASP 248.A O no hydrogen 3.256 N/A THR 253.A N LYS 249.A O no hydrogen 2.970 N/A THR 253.A OG1 LYS 249.A O no hydrogen 2.747 N/A ASP 254.A N GLY 250.A O no hydrogen 2.761 N/A GLY 255.A N ILE 251.A O no hydrogen 2.859 N/A SER 256.A N GLY 297.A O no hydrogen 2.774 N/A SER 256.A OG GLN 205.A O no hydrogen 2.717 N/A ASN 257.A N TRP 206.A O no hydrogen 3.128 N/A LEU 258.A N SER 256.A OG no hydrogen 3.086 N/A VAL 261.A N THR 306.A O no hydrogen 2.900 N/A ALA 263.A N LYS 308.A O no hydrogen 2.781 N/A LYS 264.A NZ ASP 384.A OD1 no hydrogen 2.993 N/A LYS 264.A NZ ASP 384.A OD2 no hydrogen 3.559 N/A CYS 265.A SG ALA 263.A O no hydrogen 3.831 N/A CYS 265.A SG SER 309.A OG no hydrogen 3.629 N/A ALA 266.A N LYS 282.A O no hydrogen 2.930 N/A TRP 267.A NE1 PRO 339.A O no hydrogen 2.817 N/A ASP 268.A N HIS 280.A O no hydrogen 2.643 N/A LEU 270.A N SER 278.A O no hydrogen 3.341 N/A SER 271.A N ASP 269.A OD1 no hydrogen 3.271 N/A ARG 274.A N ALA 336.A O no hydrogen 2.921 N/A ARG 274.A NH2 ASP 269.A OD2 no hydrogen 2.975 N/A LEU 276.A N TYR 334.A O no hydrogen 2.866 N/A VAL 279.A N LYS 372.A O no hydrogen 3.289 N/A HIS 280.A N ASP 268.A O no hydrogen 2.664 N/A LEU 281.A N LYS 374.A O no hydrogen 2.776 N/A LYS 282.A N ALA 266.A O no hydrogen 2.750 N/A LYS 282.A NZ ASP 268.A OD2 no hydrogen 2.650 N/A PHE 283.A N SER 376.A O no hydrogen 2.972 N/A ASN 284.A N SER 287.A OG no hydrogen 3.115 N/A ASN 284.A ND2 SER 287.A OG no hydrogen 2.988 N/A SER 287.A OG LYS 264.A O no hydrogen 2.819 N/A SER 287.A OG ASN 284.A O no hydrogen 3.441 N/A GLY 288.A N ASN 284.A O no hydrogen 2.879 N/A ALA 289.A N GLN 285.A O no hydrogen 2.989 N/A LEU 290.A N SER 287.A O no hydrogen 3.193 N/A ILE 291.A N GLY 288.A O no hydrogen 3.169 N/A CYS 294.A N LEU 290.A O no hydrogen 2.846 N/A LEU 295.A N ILE 291.A O no hydrogen 2.826 N/A ARG 296.A N PRO 292.A O no hydrogen 2.725 N/A GLY 297.A N LEU 293.A O no hydrogen 2.894 N/A ARG 298.A NE SER 256.A O no hydrogen 3.310 N/A ARG 298.A NH1 HIS 304.A O no hydrogen 3.090 N/A ARG 298.A NH2 SER 256.A O no hydrogen 2.738 N/A LEU 299.A N CYS 294.A O no hydrogen 3.171 N/A LEU 300.A N LEU 295.A O no hydrogen 3.010 N/A HIS 301.A N ARG 298.A O no hydrogen 2.990 N/A HIS 301.A NE2 GLU 252.A O no hydrogen 2.807 N/A GLY 302.A N LEU 299.A O no hydrogen 3.061 N/A ARG 303.A N ARG 298.A O no hydrogen 2.939 N/A PHE 305.A N PHE 318.A O no hydrogen 2.979 N/A THR 306.A N SER 259.A O no hydrogen 2.970 N/A THR 306.A OG1 THR 317.A OG1 no hydrogen 2.793 N/A TYR 307.A N ILE 316.A O no hydrogen 2.746 N/A TYR 307.A OH SER 287.A O no hydrogen 3.249 N/A LYS 308.A N VAL 261.A O no hydrogen 2.854 N/A SER 309.A N MET 314.A O no hydrogen 3.017 N/A SER 309.A OG CYS 265.A O no hydrogen 2.690 N/A ILE 310.A N ALA 263.A O no hydrogen 2.818 N/A ALA 315.A N PRO 339.A O no hydrogen 3.191 N/A ILE 316.A N TYR 307.A O no hydrogen 2.893 N/A THR 317.A N LEU 341.A O no hydrogen 2.797 N/A THR 317.A OG1 THR 306.A OG1 no hydrogen 2.793 N/A PHE 318.A N PHE 305.A O no hydrogen 2.856 N/A VAL 319.A N ILE 343.A O no hydrogen 2.903 N/A SER 320.A OG ARG 303.A O no hydrogen 3.049 N/A PHE 327.A N GLN 342.A OE1 no hydrogen 2.769 N/A THR 329.A N HIS 332.A O no hydrogen 3.014 N/A HIS 332.A N THR 329.A OG1 no hydrogen 3.264 N/A TYR 334.A OH LYS 371.A O no hydrogen 2.597 N/A ALA 335.A N GLN 342.A O no hydrogen 3.165 N/A ALA 336.A N ARG 274.A O no hydrogen 2.957 N/A HIS 337.A N TRP 340.A O no hydrogen 2.848 N/A TRP 340.A N HIS 337.A O no hydrogen 3.075 N/A TRP 340.A NE1 THR 317.A OG1 no hydrogen 2.884 N/A LEU 341.A N ALA 315.A O no hydrogen 2.825 N/A GLN 342.A N ALA 335.A O no hydrogen 2.785 N/A ILE 343.A N THR 317.A O no hydrogen 2.963 N/A LEU 344.A N PRO 333.A O no hydrogen 2.865 N/A LEU 345.A N VAL 319.A O no hydrogen 3.108 N/A VAL 350.A N THR 346.A O no hydrogen 3.062 N/A GLU 351.A N GLU 347.A O no hydrogen 3.167 N/A LYS 352.A N GLU 348.A O no hydrogen 3.208 N/A MET 353.A N PHE 349.A O no hydrogen 2.900 N/A LEU 354.A N VAL 350.A O no hydrogen 2.964 N/A GLU 355.A N GLU 351.A O no hydrogen 3.329 N/A ASP 356.A N MET 353.A O no hydrogen 3.116 N/A LEU 357.A N LEU 354.A O no hydrogen 3.219 N/A GLU 358.A N ASP 356.A O no hydrogen 3.090 N/A LYS 364.A N ILE 377.A O no hydrogen 2.871 N/A TYR 366.A N VAL 375.A O no hydrogen 2.735 N/A TRP 368.A N LEU 373.A O no hydrogen 2.953 N/A LYS 371.A N TRP 368.A O no hydrogen 2.947 N/A LYS 372.A N PRO 369.A O no hydrogen 3.202 N/A LEU 373.A N TRP 368.A O no hydrogen 3.293 N/A LYS 374.A N VAL 279.A O no hydrogen 3.171 N/A VAL 375.A N TYR 366.A O no hydrogen 3.074 N/A SER 376.A N LEU 281.A O no hydrogen 2.824 N/A ILE 377.A N LYS 364.A O no hydrogen 2.732 N/A LEU 378.A N PHE 283.A O no hydrogen 2.773 N/A VAL 382.A N PRO 379.A O no hydrogen 3.123 N/A PHE 383.A N ASP 380.A O no hydrogen 3.004 N/A ASP 384.A N ASP 380.A O no hydrogen 3.228 N/A SER 385.A OG VAL 381.A O no hydrogen 2.799 N/A