Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wle_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A N LEU 23.A O no hydrogen 2.680 N/A GLN 6.A NE2 PRO 24.A O no hydrogen 2.893 N/A GLN 6.A NE2 TYR 127.A O no hydrogen 3.105 N/A TYR 7.A N GLN 126.A OE1 no hydrogen 3.160 N/A TYR 7.A OH PRO 335.A O no hydrogen 2.640 N/A GLY 8.A N ARG 20.A O no hydrogen 2.998 N/A PHE 9.A N TYR 124.A O no hydrogen 2.780 N/A VAL 10.A N LYS 18.A O no hydrogen 2.855 N/A PHE 11.A N TYR 60.A O no hydrogen 2.977 N/A ASN 12.A N GLY 16.A O no hydrogen 3.197 N/A LYS 13.A N ASP 58.A OD1 no hydrogen 2.786 N/A LYS 13.A NZ ASP 55.A OD1 no hydrogen 3.433 N/A GLY 16.A N ASN 12.A O no hydrogen 2.713 N/A LYS 18.A N VAL 10.A O no hydrogen 2.873 N/A ARG 20.A N GLY 8.A O no hydrogen 2.842 N/A ARG 20.A NE ASP 22.A OD1 no hydrogen 3.009 N/A ARG 20.A NH2 ASP 22.A OD1 no hydrogen 3.028 N/A ARG 20.A NH2 ASP 22.A OD2 no hydrogen 3.244 N/A LEU 23.A N GLN 6.A O no hydrogen 2.823 N/A LYS 29.A N GLN 32.A OE1 no hydrogen 2.662 N/A GLY 31.A N ASP 75.A O no hydrogen 2.834 N/A GLN 32.A N LYS 29.A O no hydrogen 3.038 N/A LEU 33.A N VAL 130.A O no hydrogen 3.198 N/A LEU 34.A N ALA 72.A O no hydrogen 2.758 N/A LEU 35.A N LEU 128.A O no hydrogen 2.614 N/A LYS 36.A N THR 69.A O no hydrogen 2.829 N/A VAL 37.A N GLN 126.A O no hydrogen 3.039 N/A ASP 38.A N ALA 67.A O no hydrogen 2.835 N/A ALA 39.A N ALA 67.A O no hydrogen 3.000 N/A VAL 40.A N PHE 333.A O no hydrogen 2.899 N/A GLY 41.A N GLU 65.A O no hydrogen 2.869 N/A LEU 42.A N VAL 331.A O no hydrogen 3.199 N/A CYS 43.A SG SER 45.A OG no hydrogen 3.578 N/A CYS 43.A SG ASP 153.A OD2 no hydrogen 3.512 N/A ASP 46.A N CYS 43.A O no hydrogen 2.905 N/A LEU 47.A N HIS 44.A O no hydrogen 2.935 N/A VAL 49.A N SER 45.A O no hydrogen 3.200 N/A ILE 50.A N ASP 46.A O no hydrogen 2.923 N/A TYR 51.A N LEU 47.A O no hydrogen 2.761 N/A GLU 52.A N HIS 48.A O no hydrogen 2.923 N/A LEU 54.A N HIS 48.A O no hydrogen 3.028 N/A CYS 56.A SG LEU 54.A O no hydrogen 3.913 N/A GLY 57.A N ASP 55.A OD1 no hydrogen 3.120 N/A ASN 59.A ND2 ASN 12.A OD1 no hydrogen 3.620 N/A TYR 60.A N PHE 11.A O no hydrogen 3.250 N/A VAL 61.A N ASP 121.A OD1 no hydrogen 2.782 N/A ALA 67.A N ALA 39.A O no hydrogen 2.982 N/A GLY 68.A N VAL 86.A O no hydrogen 2.942 N/A THR 69.A N LYS 36.A O no hydrogen 2.881 N/A THR 69.A OG1 ASP 38.A OD2 no hydrogen 2.679 N/A VAL 70.A N ASP 84.A O no hydrogen 2.774 N/A ALA 71.A N LEU 34.A O no hydrogen 3.021 N/A ALA 72.A N LEU 34.A O no hydrogen 3.422 N/A GLY 74.A N GLN 32.A O no hydrogen 2.811 N/A VAL 77.A N GLY 74.A O no hydrogen 3.456 N/A LYS 81.A N ASP 84.A OD2 no hydrogen 2.632 N/A GLY 83.A N VAL 70.A O no hydrogen 2.716 N/A ASP 84.A N LYS 81.A O no hydrogen 2.912 N/A ARG 85.A NH1 VAL 143.A O no hydrogen 2.687 N/A ARG 85.A NH2 PRO 140.A O no hydrogen 3.161 N/A ARG 85.A NH2 VAL 143.A O no hydrogen 3.324 N/A VAL 86.A N GLY 68.A O no hydrogen 2.938 N/A ALA 87.A N SER 137.A O no hydrogen 2.901 N/A CYS 88.A N ILE 66.A O no hydrogen 2.942 N/A VAL 89.A N ASN 135.A O no hydrogen 2.768 N/A ASN 92.A N VAL 89.A O no hydrogen 2.938 N/A ASN 92.A ND2 ASP 114.A O no hydrogen 3.217 N/A ARG 101.A N CYS 97.A O no hydrogen 3.048 N/A GLY 102.A N TYR 99.A O no hydrogen 3.018 N/A ILE 104.A N TYR 99.A O no hydrogen 2.977 N/A ASN 106.A ND2 PHE 284.A O no hydrogen 2.911 N/A VAL 107.A N ILE 104.A O no hydrogen 3.201 N/A PHE 112.A N LYS 109.A O no hydrogen 2.980 N/A ASP 114.A N ALA 111.A O no hydrogen 2.798 N/A PHE 116.A N GLY 90.A O no hydrogen 3.232 N/A LEU 118.A N TRP 115.A O no hydrogen 3.075 N/A TYR 120.A N TRP 115.A O no hydrogen 2.901 N/A TYR 120.A OH LEU 129.A O no hydrogen 2.524 N/A GLY 122.A N VAL 61.A O no hydrogen 2.558 N/A GLY 123.A N GLY 63.A O no hydrogen 2.630 N/A TYR 124.A N MET 62.A O no hydrogen 2.975 N/A TYR 124.A OH ASP 46.A OD2 no hydrogen 2.889 N/A GLN 125.A NE2 GLY 122.A O no hydrogen 2.935 N/A GLN 126.A N GLN 6.A OE1 no hydrogen 2.795 N/A TYR 127.A N GLN 6.A OE1 no hydrogen 2.802 N/A LEU 128.A N LEU 35.A O no hydrogen 2.790 N/A VAL 130.A N LEU 33.A O no hydrogen 2.793 N/A ARG 132.A NE ASN 92.A O no hydrogen 3.296 N/A ARG 132.A NE GLY 93.A O no hydrogen 3.018 N/A ARG 132.A NH2 ASN 92.A O no hydrogen 2.647 N/A ARG 132.A NH2 ASP 114.A OD2 no hydrogen 3.084 N/A ARG 134.A NH1 ASP 105.A OD2 no hydrogen 2.984 N/A ARG 134.A NH2 ASP 105.A OD2 no hydrogen 3.409 N/A ASN 135.A N ARG 132.A O no hydrogen 3.093 N/A ASN 135.A ND2 ASN 92.A OD1 no hydrogen 2.727 N/A ASN 135.A ND2 GLY 93.A O no hydrogen 2.959 N/A ASN 135.A ND2 ARG 132.A O no hydrogen 3.467 N/A SER 137.A N ALA 87.A O no hydrogen 2.993 N/A SER 137.A OG ASP 292.A OD1 no hydrogen 2.421 N/A ARG 138.A NH2 ASP 141.A OD1 no hydrogen 3.087 N/A ILE 139.A N ARG 85.A O no hydrogen 2.995 N/A ASN 142.A ND2 SER 299.A O no hydrogen 2.908 N/A VAL 143.A N PRO 140.A O no hydrogen 3.059 N/A VAL 147.A N SER 144.A OG no hydrogen 3.156 N/A ALA 148.A N SER 144.A O no hydrogen 2.903 N/A ALA 149.A N ALA 145.A O no hydrogen 2.875 N/A ALA 150.A N ASP 146.A O no hydrogen 3.295 N/A SER 151.A N VAL 147.A O no hydrogen 3.022 N/A SER 151.A OG VAL 147.A O no hydrogen 2.988 N/A THR 152.A N ALA 149.A O no hydrogen 3.244 N/A THR 152.A OG1 ALA 149.A O no hydrogen 2.817 N/A ALA 154.A N GLU 65.A OE2 no hydrogen 2.924 N/A VAL 155.A N ALA 150.A O no hydrogen 3.348 N/A LEU 156.A N SER 151.A O no hydrogen 3.109 N/A THR 157.A N ASP 153.A O no hydrogen 2.963 N/A THR 157.A OG1 ASP 153.A O no hydrogen 3.264 N/A THR 157.A OG1 ASP 153.A OD1 no hydrogen 2.648 N/A TYR 159.A N VAL 155.A O no hydrogen 2.882 N/A TYR 159.A OH ASP 293.A OD2 no hydrogen 2.843 N/A HIS 160.A N LEU 156.A O no hydrogen 2.799 N/A HIS 160.A ND1 ASP 290.A OD2 no hydrogen 2.726 N/A ALA 161.A N THR 157.A O no hydrogen 3.110 N/A ILE 162.A N PRO 158.A O no hydrogen 2.881 N/A LYS 163.A N TYR 159.A O no hydrogen 2.924 N/A MET 164.A N HIS 160.A O no hydrogen 2.967 N/A ALA 165.A N ALA 161.A O no hydrogen 2.854 N/A GLN 166.A N LYS 163.A O no hydrogen 3.052 N/A VAL 167.A N ILE 162.A O no hydrogen 3.445 N/A SER 168.A N SER 171.A OG no hydrogen 2.778 N/A THR 170.A N SER 168.A OG no hydrogen 3.327 N/A THR 170.A OG1 SER 168.A OG no hydrogen 2.973 N/A SER 171.A N SER 168.A O no hydrogen 2.830 N/A SER 171.A OG SER 168.A O no hydrogen 3.092 N/A ASN 172.A N SER 231.A OG no hydrogen 3.178 N/A ASN 172.A ND2 SER 229.A O no hydrogen 2.691 N/A ILE 173.A N LYS 195.A O no hydrogen 2.994 N/A LEU 174.A N ALA 232.A O no hydrogen 2.999 N/A LEU 175.A N THR 197.A O no hydrogen 2.696 N/A ILE 176.A N PHE 234.A O no hydrogen 2.878 N/A GLY 177.A N LEU 199.A O no hydrogen 2.628 N/A ALA 178.A N ASP 200.A OD2 no hydrogen 2.682 N/A GLY 183.A N GLY 179.A O no hydrogen 2.917 N/A ASN 184.A ND2 GLY 180.A O no hydrogen 2.845 N/A ALA 185.A N LEU 181.A O no hydrogen 2.870 N/A ILE 186.A N GLY 182.A O no hydrogen 3.072 N/A GLN 187.A NE2 LYS 304.A O no hydrogen 2.822 N/A VAL 188.A N ASN 184.A O no hydrogen 2.840 N/A ALA 189.A N ALA 185.A O no hydrogen 2.902 N/A LYS 190.A N ILE 186.A O no hydrogen 3.124 N/A LYS 190.A NZ ALA 194.A O no hydrogen 2.901 N/A LYS 190.A NZ ASP 215.A OD1 no hydrogen 3.479 N/A LYS 190.A NZ ASP 215.A OD2 no hydrogen 2.910 N/A ALA 191.A N GLN 187.A O no hydrogen 3.111 N/A PHE 192.A N VAL 188.A O no hydrogen 3.125 N/A PHE 192.A N ALA 189.A O no hydrogen 3.137 N/A GLY 193.A N LYS 190.A O no hydrogen 2.659 N/A ALA 194.A N ALA 189.A O no hydrogen 3.110 N/A LYS 195.A N SER 171.A O no hydrogen 2.947 N/A VAL 196.A N ASP 215.A OD2 no hydrogen 2.666 N/A THR 197.A N ILE 173.A O no hydrogen 3.002 N/A VAL 198.A N ALA 216.A O no hydrogen 2.929 N/A LEU 199.A N LEU 175.A O no hydrogen 2.838 N/A ASP 200.A N TYR 218.A O no hydrogen 3.261 N/A LYS 202.A N ASP 200.A OD1 no hydrogen 2.978 N/A LYS 202.A NZ ASN 325.A O no hydrogen 2.981 N/A LYS 202.A NZ ASN 325.A OD1 no hydrogen 2.682 N/A LYS 202.A NZ TYR 327.A O no hydrogen 2.929 N/A LYS 202.A NZ GLU 328.A OE2 no hydrogen 3.044 N/A LYS 203.A NZ ASP 207.A OD2 no hydrogen 3.107 N/A ARG 206.A N LYS 202.A O no hydrogen 3.133 N/A ARG 206.A NH1 ASP 200.A O no hydrogen 2.768 N/A ARG 206.A NH1 LYS 201.A O no hydrogen 2.902 N/A ASP 207.A N LYS 203.A O no hydrogen 2.870 N/A GLN 208.A N GLU 204.A O no hydrogen 3.001 N/A ALA 209.A N ALA 205.A O no hydrogen 2.804 N/A LYS 210.A N ARG 206.A O no hydrogen 3.039 N/A LYS 210.A NZ ALA 214.A O no hydrogen 3.522 N/A LYS 211.A N ASP 207.A O no hydrogen 3.258 N/A LEU 212.A N GLN 208.A O no hydrogen 2.944 N/A LEU 212.A N ALA 209.A O no hydrogen 3.236 N/A GLY 213.A N LYS 210.A O no hydrogen 3.212 N/A ALA 214.A N ALA 209.A O no hydrogen 3.327 N/A ASP 215.A N VAL 196.A O no hydrogen 2.979 N/A ALA 216.A N VAL 196.A O no hydrogen 3.244 N/A TYR 218.A N VAL 198.A O no hydrogen 2.922 N/A ILE 225.A N PRO 222.A O no hydrogen 2.863 N/A GLY 228.A N LYS 248.A O no hydrogen 2.802 N/A SER 229.A N TYR 249.A O no hydrogen 2.942 N/A SER 229.A OG SER 226.A O no hydrogen 2.708 N/A PHE 230.A N TYR 249.A O no hydrogen 2.915 N/A SER 231.A N ASN 172.A O no hydrogen 2.910 N/A SER 231.A OG ASN 172.A O no hydrogen 3.311 N/A CYS 233.A N VAL 255.A O no hydrogen 2.794 N/A CYS 233.A SG CYS 246.A O no hydrogen 3.736 N/A PHE 234.A N LEU 174.A O no hydrogen 2.821 N/A ASP 235.A N MET 257.A O no hydrogen 2.930 N/A PHE 236.A N ILE 176.A O no hydrogen 2.828 N/A VAL 237.A N ASP 235.A OD1 no hydrogen 2.905 N/A SER 238.A N ASP 235.A OD1 no hydrogen 2.869 N/A SER 238.A OG GLY 260.A O no hydrogen 2.901 N/A VAL 239.A N THR 242.A OG1 no hydrogen 3.008 N/A GLN 240.A NE2 ASP 244.A OD1 no hydrogen 2.663 N/A GLN 240.A NE2 SER 267.A O no hydrogen 2.994 N/A THR 242.A N VAL 239.A O no hydrogen 2.981 N/A THR 242.A OG1 ASP 235.A OD1 no hydrogen 3.221 N/A THR 242.A OG1 ASP 235.A OD2 no hydrogen 2.479 N/A THR 242.A OG1 VAL 239.A O no hydrogen 2.970 N/A PHE 243.A N VAL 239.A O no hydrogen 3.137 N/A ASP 244.A N GLN 240.A O no hydrogen 2.903 N/A VAL 245.A N ALA 241.A O no hydrogen 3.203 N/A CYS 246.A N THR 242.A O no hydrogen 3.010 N/A CYS 246.A SG THR 242.A O no hydrogen 3.485 N/A GLN 247.A N PHE 243.A O no hydrogen 2.860 N/A GLN 247.A NE2 ASN 269.A O no hydrogen 3.155 N/A GLN 247.A NE2 ASP 272.A OD2 no hydrogen 2.939 N/A LYS 248.A N ASP 244.A O no hydrogen 3.088 N/A TYR 249.A N VAL 245.A O no hydrogen 2.965 N/A VAL 250.A N CYS 246.A O no hydrogen 2.943 N/A GLU 251.A N PHE 230.A O no hydrogen 2.673 N/A LYS 253.A N ARG 276.A O no hydrogen 2.816 N/A GLY 254.A N GLU 251.A O no hydrogen 2.790 N/A VAL 255.A N SER 231.A O no hydrogen 3.125 N/A ILE 256.A N ARG 279.A O no hydrogen 2.763 N/A MET 257.A N CYS 233.A O no hydrogen 2.841 N/A VAL 259.A N MET 257.A O no hydrogen 2.864 N/A GLY 260.A N ASP 235.A O no hydrogen 2.753 N/A GLY 262.A N VAL 237.A O no hydrogen 2.947 N/A SER 267.A N GLN 240.A OE1 no hydrogen 2.868 N/A SER 267.A OG GLN 240.A OE1 no hydrogen 3.519 N/A ASN 269.A N GLN 247.A OE1 no hydrogen 2.879 N/A ASP 272.A N ASN 269.A OD1 no hydrogen 2.717 N/A LEU 273.A N ASN 269.A O no hydrogen 3.013 N/A ALA 274.A N LEU 270.A O no hydrogen 2.920 N/A LEU 275.A N GLY 271.A O no hydrogen 3.124 N/A ARG 276.A N ASP 272.A O no hydrogen 3.154 N/A ARG 276.A NE ASP 272.A OD1 no hydrogen 2.841 N/A ARG 276.A NH1 VAL 250.A O no hydrogen 3.280 N/A ARG 276.A NH1 ASP 272.A OD1 no hydrogen 3.451 N/A ARG 276.A NH1 ASP 272.A OD2 no hydrogen 3.151 N/A ARG 276.A NH2 VAL 250.A O no hydrogen 2.895 N/A GLU 277.A N ALA 274.A O no hydrogen 2.874 N/A ILE 278.A N LEU 273.A O no hydrogen 2.864 N/A ARG 279.A N GLY 254.A O no hydrogen 3.086 N/A ARG 279.A NE LYS 253.A O no hydrogen 3.111 N/A ARG 279.A NH2 LYS 253.A O no hydrogen 2.927 N/A LEU 281.A N ILE 256.A O no hydrogen 3.134 N/A TRP 285.A NE1 THR 152.A O no hydrogen 2.922 N/A THR 287.A N ASP 290.A OD2 no hydrogen 2.865 N/A THR 288.A N ASP 105.A OD1 no hydrogen 3.268 N/A THR 288.A OG1 ASP 105.A OD2 no hydrogen 3.044 N/A ASP 290.A N THR 287.A OG1 no hydrogen 2.990 N/A LEU 291.A N THR 287.A O no hydrogen 3.060 N/A ASP 292.A N THR 288.A O no hydrogen 3.374 N/A ASP 293.A N ASN 289.A O no hydrogen 3.158 N/A VAL 294.A N ASP 290.A O no hydrogen 2.826 N/A LEU 295.A N LEU 291.A O no hydrogen 2.861 N/A LYS 296.A N ASP 292.A O no hydrogen 3.193 N/A LYS 296.A NZ GLU 300.A OE1 no hydrogen 3.281 N/A LEU 297.A N ASP 293.A O no hydrogen 2.997 N/A VAL 298.A N VAL 294.A O no hydrogen 2.880 N/A SER 299.A N LEU 295.A O no hydrogen 2.854 N/A SER 299.A OG ASN 142.A OD1 no hydrogen 2.773 N/A GLU 300.A N LYS 296.A O no hydrogen 2.800 N/A GLY 301.A N VAL 298.A O no hydrogen 2.776 N/A LYS 302.A N LEU 297.A O no hydrogen 2.980 N/A LYS 302.A NZ GLU 300.A OE2 no hydrogen 2.811 N/A LYS 304.A N GLN 187.A OE1 no hydrogen 2.600 N/A LYS 304.A NZ GLY 301.A O no hydrogen 3.297 N/A ARG 308.A N ARG 330.A O no hydrogen 3.032 N/A ARG 308.A NE TYR 318.A OH no hydrogen 3.197 N/A SER 309.A OG ASP 146.A OD1 no hydrogen 3.482 N/A ALA 310.A N VAL 332.A O no hydrogen 3.015 N/A LYS 311.A N GLU 314.A OE2 no hydrogen 3.077 N/A LEU 312.A N ASN 334.A O no hydrogen 3.284 N/A GLU 314.A N LYS 311.A O no hydrogen 2.906 N/A LEU 315.A N LEU 312.A O no hydrogen 2.903 N/A GLU 317.A N GLU 314.A O no hydrogen 2.907 N/A TYR 318.A N GLU 314.A O no hydrogen 3.238 N/A ILE 319.A N LEU 315.A O no hydrogen 2.910 N/A LYS 321.A N GLU 317.A O no hydrogen 3.087 N/A LEU 322.A N TYR 318.A O no hydrogen 2.788 N/A ARG 323.A N ILE 319.A O no hydrogen 2.982 N/A ASN 324.A N GLU 320.A O no hydrogen 3.036 N/A ASN 324.A ND2 GLU 320.A OE1 no hydrogen 3.224 N/A ASN 325.A N LEU 322.A O no hydrogen 2.778 N/A ALA 326.A N LYS 321.A O no hydrogen 2.682 N/A ARG 330.A N VAL 306.A O no hydrogen 3.019 N/A ARG 330.A NE GLU 65.A OE1 no hydrogen 2.710 N/A ARG 330.A NE GLU 65.A OE2 no hydrogen 3.072 N/A ARG 330.A NH2 GLU 65.A OE2 no hydrogen 3.304 N/A VAL 332.A N ARG 308.A O no hydrogen 2.912 N/A PHE 333.A N VAL 40.A O no hydrogen 2.623 N/A ASN 334.A N ALA 310.A O no hydrogen 2.871 N/A ASN 334.A ND2 ASP 38.A O no hydrogen 2.837 N/A ASN 334.A ND2 ASP 146.A OD2 no hydrogen 3.089 N/A