Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4x6r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N SER 10.A OG no hydrogen 3.085 N/A SER 10.A OG ALA 4.A O no hydrogen 3.298 N/A SER 10.A OG CYS 7.A O no hydrogen 3.178 N/A GLU 11.A N CYS 7.A O no hydrogen 3.191 N/A GLN 12.A N LYS 8.A O no hydrogen 3.179 N/A SER 14.A N SER 10.A O no hydrogen 2.742 N/A SER 14.A OG SER 10.A O no hydrogen 2.880 N/A SER 14.A OG GLU 11.A O no hydrogen 3.107 N/A VAL 15.A N GLU 11.A O no hydrogen 2.971 N/A LYS 16.A N GLN 12.A O no hydrogen 3.076 N/A GLU 17.A N GLU 13.A O no hydrogen 3.014 N/A PHE 18.A N SER 14.A O no hydrogen 2.773 N/A LEU 19.A N VAL 15.A O no hydrogen 3.056 N/A ALA 20.A N LYS 16.A O no hydrogen 3.277 N/A LYS 21.A N GLU 17.A O no hydrogen 3.163 N/A LYS 21.A NZ ASP 25.A OD1 no hydrogen 3.552 N/A LYS 21.A NZ ASP 25.A OD2 no hydrogen 3.123 N/A ALA 22.A N PHE 18.A O no hydrogen 2.898 N/A LYS 23.A N LEU 19.A O no hydrogen 2.835 N/A GLU 24.A N ALA 20.A O no hydrogen 3.152 N/A ASP 25.A N LYS 21.A O no hydrogen 2.901 N/A PHE 26.A N ALA 22.A O no hydrogen 3.052 N/A LEU 27.A N LYS 23.A O no hydrogen 2.927 N/A LYS 28.A N GLU 24.A O no hydrogen 3.235 N/A LYS 29.A N ASP 25.A O no hydrogen 3.420 N/A TRP 30.A N PHE 26.A O no hydrogen 2.741 N/A GLU 31.A N LEU 27.A O no hydrogen 2.928 N/A THR 32.A N LYS 28.A O no hydrogen 3.223 N/A SER 34.A N GLN 96.A OE1 no hydrogen 2.893 N/A GLN 35.A NE2 PHE 347.A O no hydrogen 3.070 N/A THR 37.A N SER 109.A O no hydrogen 3.000 N/A GLN 39.A N GLN 42.A OE1 no hydrogen 3.234 N/A GLN 42.A N GLN 39.A O no hydrogen 3.163 N/A PHE 43.A N LEU 40.A O no hydrogen 3.141 N/A ASP 44.A N LYS 61.A O no hydrogen 3.072 N/A ILE 46.A N LEU 59.A O no hydrogen 3.230 N/A LYS 47.A NZ ASP 327.A OD2 no hydrogen 2.756 N/A THR 48.A N GLU 330.A OE2 no hydrogen 2.792 N/A THR 48.A OG1 GLU 330.A OE2 no hydrogen 3.292 N/A LEU 49.A N VAL 57.A O no hydrogen 2.528 N/A GLY 52.A N GLY 55.A O no hydrogen 2.812 N/A ARG 56.A N ILE 73.A O no hydrogen 3.289 N/A ARG 56.A NH2.A GLU 329.A O no hydrogen 2.766 N/A VAL 57.A N GLY 50.A O no hydrogen 2.890 N/A MET 58.A N MET 71.A O no hydrogen 2.615 N/A LEU 59.A N LYS 47.A O no hydrogen 2.586 N/A VAL 60.A N TYR 69.A O no hydrogen 2.703 N/A LYS 61.A N ASP 44.A O no hydrogen 3.101 N/A HIS 62.A N ASN 67.A O no hydrogen 2.663 N/A HIS 62.A ND1 SER 65.A OG no hydrogen 2.770 N/A LYS 63.A N GLN 42.A O no hydrogen 2.861 N/A LYS 63.A NZ ASP 41.A O no hydrogen 2.716 N/A SER 65.A N HIS 62.A ND1 no hydrogen 3.312 N/A SER 65.A OG HIS 62.A ND1 no hydrogen 2.770 N/A GLY 66.A N HIS 62.A O no hydrogen 2.735 N/A ASN 67.A N SER 65.A OG no hydrogen 3.214 N/A ASN 67.A ND2 TYR 69.A OH no hydrogen 3.082 N/A TYR 69.A N VAL 60.A O no hydrogen 2.766 N/A ALA 70.A N MET 120.A O no hydrogen 2.707 N/A MET 71.A N MET 58.A O no hydrogen 2.680 N/A LYS 72.A N MET 118.A O no hydrogen 2.840 N/A LYS 72.A NZ GLU 91.A OE2 no hydrogen 2.729 N/A ILE 73.A N ARG 56.A O no hydrogen 2.795 N/A LEU 74.A N LEU 116.A O no hydrogen 2.982 N/A LYS 76.A N SER 114.A O no hydrogen 2.923 N/A LYS 76.A NZ ASP 112.A O no hydrogen 2.803 N/A LYS 76.A NZ LYS 339.A O no hydrogen 3.144 N/A GLN 77.A N ASP 75.A OD1 no hydrogen 2.928 N/A LYS 78.A NZ SER 53.A O no hydrogen 3.143 N/A VAL 79.A N ASP 75.A O no hydrogen 3.096 N/A VAL 80.A N LYS 76.A O no hydrogen 3.359 N/A LYS 81.A N GLN 77.A O no hydrogen 3.000 N/A LEU 82.A N LYS 78.A O no hydrogen 2.829 N/A LYS 83.A N VAL 80.A O no hydrogen 2.995 N/A GLN 84.A N VAL 79.A O no hydrogen 2.979 N/A GLN 84.A NE2 LEU 82.A O no hydrogen 3.660 N/A GLN 84.A NE2 LYS 83.A O no hydrogen 3.391 N/A GLU 86.A N GLU 86.A OE2 no hydrogen 2.661 N/A HIS 87.A ND1 GLN 84.A OE1 no hydrogen 2.866 N/A THR 88.A N GLN 84.A O no hydrogen 2.915 N/A THR 88.A OG1 GLN 84.A O no hydrogen 3.127 N/A LEU 89.A N ILE 85.A O no hydrogen 3.035 N/A ASN 90.A N GLU 86.A O no hydrogen 2.843 N/A GLU 91.A N HIS 87.A O no hydrogen 2.714 N/A LYS 92.A N THR 88.A O no hydrogen 3.355 N/A LYS 92.A NZ SER 34.A O no hydrogen 3.234 N/A LYS 92.A NZ PHE 347.A OXT no hydrogen 2.765 N/A ARG 93.A N LEU 89.A O no hydrogen 3.060 N/A ARG 93.A NE TRP 30.A O no hydrogen 3.162 N/A ARG 93.A NH2 TRP 30.A O no hydrogen 2.944 N/A ILE 94.A N ASN 90.A O no hydrogen 2.904 N/A LEU 95.A N GLU 91.A O no hydrogen 3.063 N/A GLN 96.A N LYS 92.A O no hydrogen 2.880 N/A GLN 96.A NE2 LYS 29.A O no hydrogen 3.216 N/A GLN 96.A NE2 ARG 93.A O no hydrogen 2.749 N/A ALA 97.A N ARG 93.A O no hydrogen 3.304 N/A ALA 97.A N ILE 94.A O no hydrogen 2.992 N/A ASN 99.A N TYR 155.A OH no hydrogen 2.941 N/A LEU 103.A N PHE 100.A O no hydrogen 3.211 N/A VAL 104.A N VAL 181.A O no hydrogen 3.077 N/A LYS 105.A N GLU 121.A OE1 no hydrogen 2.801 N/A GLU 107.A N VAL 119.A O no hydrogen 2.777 N/A PHE 108.A N VAL 119.A O no hydrogen 3.185 N/A SER 109.A N THR 37.A OG1 no hydrogen 3.246 N/A PHE 110.A N TYR 117.A O no hydrogen 3.234 N/A LYS 111.A NZ PHE 344.A O no hydrogen 2.949 N/A LYS 111.A NZ PHE 347.A O no hydrogen 2.828 N/A ASP 112.A N ASN 115.A O no hydrogen 3.122 N/A SER 114.A N ASP 112.A OD2 no hydrogen 2.746 N/A SER 114.A OG ARG 334.A O no hydrogen 3.475 N/A ASN 115.A N ASP 112.A OD2 no hydrogen 2.979 N/A ASN 115.A ND2 TYR 117.A OH no hydrogen 3.033 N/A LEU 116.A N LEU 74.A O no hydrogen 2.809 N/A TYR 117.A N PHE 110.A O no hydrogen 2.848 N/A TYR 117.A OH ASP 112.A OD1 no hydrogen 2.515 N/A MET 118.A N LYS 72.A O no hydrogen 3.002 N/A VAL 119.A N PHE 108.A O no hydrogen 2.583 N/A MET 120.A N ALA 70.A O no hydrogen 2.656 N/A GLU 121.A N LYS 105.A O no hydrogen 3.030 N/A TYR 122.A OH ASP 321.A O no hydrogen 2.960 N/A MET 128.A N LEU 171.A O no hydrogen 2.769 N/A PHE 129.A N PRO 168.A O no hydrogen 3.344 N/A SER 130.A N GLU 127.A O no hydrogen 3.204 N/A HIS 131.A ND1.A GLU 127.A O no hydrogen 3.003 N/A LEU 132.A N MET 128.A O no hydrogen 2.744 N/A ARG 133.A N PHE 129.A O no hydrogen 2.886 N/A ARG 133.A NH1 GLU 228.A OE1 no hydrogen 3.031 N/A ARG 133.A NH2 GLU 228.A OE1 no hydrogen 2.808 N/A ARG 134.A N SER 130.A O no hydrogen 2.963 N/A ILE 135.A N HIS 131.A O no hydrogen 2.991 N/A GLY 136.A N LEU 132.A O no hydrogen 2.739 N/A PHE 138.A N MET 229.A O no hydrogen 2.787 N/A HIS 141.A NE2 TYR 145.A OH no hydrogen 3.168 N/A ARG 143.A N GLU 139.A O no hydrogen 2.698 N/A ARG 143.A NH1 TRP 294.A O no hydrogen 2.982 N/A PHE 144.A N PRO 140.A O no hydrogen 3.056 N/A TYR 145.A N HIS 141.A O no hydrogen 3.372 N/A TYR 145.A OH HIS 141.A NE2 no hydrogen 3.168 N/A ALA 146.A N ALA 142.A O no hydrogen 2.817 N/A ALA 147.A N ARG 143.A O no hydrogen 2.895 N/A GLN 148.A NE2 PHE 144.A O no hydrogen 3.169 N/A ILE 149.A N TYR 145.A O no hydrogen 3.256 N/A VAL 150.A N ALA 146.A O no hydrogen 2.917 N/A LEU 151.A N ALA 147.A O no hydrogen 3.168 N/A THR 152.A N GLN 148.A O no hydrogen 2.897 N/A THR 152.A OG1 GLN 148.A O no hydrogen 2.517 N/A PHE 153.A N ILE 149.A O no hydrogen 2.784 N/A GLU 154.A N VAL 150.A O no hydrogen 2.768 N/A TYR 155.A N LEU 151.A O no hydrogen 2.904 N/A LEU 156.A N THR 152.A O no hydrogen 2.795 N/A HIS 157.A N PHE 153.A O no hydrogen 2.737 N/A HIS 157.A NE2 ASP 218.A OD1 no hydrogen 2.827 N/A SER 158.A N GLU 154.A O no hydrogen 3.013 N/A SER 158.A OG GLU 154.A O no hydrogen 3.521 N/A SER 158.A OG TYR 155.A O no hydrogen 2.727 N/A LEU 159.A N TYR 155.A O no hydrogen 3.396 N/A LEU 159.A N LEU 156.A O no hydrogen 3.046 N/A ASP 160.A N HIS 157.A O no hydrogen 2.739 N/A LEU 161.A N LEU 156.A O no hydrogen 2.859 N/A ILE 162.A N LYS 188.A O no hydrogen 2.718 N/A TYR 163.A N ASP 218.A OD1 no hydrogen 2.938 N/A TYR 163.A OH THR 182.A O no hydrogen 2.802 N/A TYR 163.A OH ASP 183.A O no hydrogen 3.082 N/A ARG 164.A N ASP 218.A OD2 no hydrogen 2.824 N/A ARG 164.A NE PHE 186.A O no hydrogen 2.766 N/A ARG 164.A NH1 TYR 213.A OH no hydrogen 2.980 N/A ARG 164.A NH2 PHE 186.A O no hydrogen 2.899 N/A LYS 167.A NZ THR 199.A OG1 no hydrogen 2.923 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.653 N/A ASN 170.A N LYS 167.A O no hydrogen 2.877 N/A ASN 170.A ND2 ASP 165.A O no hydrogen 3.076 N/A LEU 171.A N PRO 168.A O no hydrogen 3.137 N/A LEU 172.A N GLN 180.A O no hydrogen 2.782 N/A ILE 173.A N GLY 126.A O no hydrogen 3.047 N/A ASP 174.A N TYR 178.A O no hydrogen 2.819 N/A GLY 177.A N ASP 174.A O no hydrogen 2.898 N/A TYR 178.A N ASP 174.A OD2 no hydrogen 2.965 N/A TYR 178.A OH VAL 308.A O no hydrogen 2.477 N/A ILE 179.A N GLN 148.A OE1 no hydrogen 2.732 N/A GLN 180.A N LEU 172.A O no hydrogen 2.649 N/A GLN 180.A NE2 PRO 101.A O no hydrogen 2.939 N/A GLN 180.A NE2 ILE 179.A O no hydrogen 3.169 N/A VAL 181.A N PHE 102.A O no hydrogen 2.701 N/A THR 182.A N ASN 170.A O no hydrogen 3.010 N/A GLY 185.A N ASP 183.A OD1 no hydrogen 2.890 N/A ALA 187.A N PHE 184.A O no hydrogen 3.046 N/A LYS 188.A N ILE 162.A O no hydrogen 2.905 N/A LYS 188.A NZ THR 194.A OG1 no hydrogen 2.924 N/A ARG 189.A NE LEU 159.A O no hydrogen 2.929 N/A ARG 189.A NH2 LEU 159.A O no hydrogen 3.537 N/A VAL 190.A N ASP 160.A O no hydrogen 2.706 N/A THR 194.A N TYR 213.A O no hydrogen 2.944 N/A THR 199.A OG1 ASP 165.A OD1 no hydrogen 3.450 N/A GLU 201.A N GLU 201.A OE1 no hydrogen 2.800 N/A TYR 202.A N THR 199.A O no hydrogen 2.726 N/A TYR 202.A OH GLU 228.A OE2 no hydrogen 2.611 N/A LEU 203.A N PRO 200.A O no hydrogen 3.235 N/A GLU 206.A N GLU 206.A OE2 no hydrogen 2.739 N/A ILE 207.A N ALA 204.A O no hydrogen 3.058 N/A ILE 208.A N ALA 204.A O no hydrogen 3.457 N/A LEU 209.A N PRO 205.A O no hydrogen 3.007 N/A SER 210.A N ILE 207.A O no hydrogen 3.393 N/A SER 210.A OG ILE 208.A O no hydrogen 3.115 N/A TYR 213.A N THR 194.A O no hydrogen 2.995 N/A ASN 214.A ND2 ASN 281.A OD1 no hydrogen 3.293 N/A ALA 216.A N ASN 214.A OD1 no hydrogen 2.926 N/A VAL 217.A N ASN 214.A O no hydrogen 3.187 N/A ASP 218.A N LYS 215.A O no hydrogen 3.011 N/A TRP 220.A N ALA 216.A O no hydrogen 3.106 N/A ALA 221.A N VAL 217.A O no hydrogen 2.838 N/A LEU 222.A N ASP 218.A O no hydrogen 2.948 N/A GLY 223.A N TRP 219.A O no hydrogen 3.103 N/A VAL 224.A N TRP 220.A O no hydrogen 3.045 N/A LEU 225.A N ALA 221.A O no hydrogen 2.872 N/A ILE 226.A N LEU 222.A O no hydrogen 3.041 N/A TYR 227.A N GLY 223.A O no hydrogen 3.156 N/A TYR 227.A OH ARG 254.A O no hydrogen 2.630 N/A GLU 228.A N VAL 224.A O no hydrogen 2.786 N/A MET 229.A N LEU 225.A O no hydrogen 2.895 N/A ALA 230.A N ILE 226.A O no hydrogen 2.997 N/A ALA 231.A N TYR 227.A O no hydrogen 2.819 N/A GLY 232.A N GLU 228.A O no hydrogen 2.785 N/A GLN 240.A N GLN 243.A OE1 no hydrogen 2.888 N/A GLN 243.A N GLN 240.A O no hydrogen 3.040 N/A ILE 244.A N GLN 240.A O no hydrogen 3.070 N/A TYR 245.A N PRO 241.A O no hydrogen 2.843 N/A GLU 246.A N ILE 242.A O no hydrogen 3.056 N/A LYS 247.A N GLN 243.A O no hydrogen 3.337 N/A LYS 247.A NZ PHE 237.A O no hydrogen 2.621 N/A ILE 248.A N ILE 244.A O no hydrogen 3.045 N/A VAL 249.A N TYR 245.A O no hydrogen 2.928 N/A SER 250.A N GLU 246.A O no hydrogen 3.041 N/A SER 250.A OG LYS 247.A O no hydrogen 2.819 N/A LYS 252.A N SER 250.A OG no hydrogen 3.324 N/A PHE 259.A N PRO 256.A O no hydrogen 3.089 N/A SER 260.A N GLU 139.A OE2 no hydrogen 2.811 N/A SER 260.A OG GLU 139.A OE1 no hydrogen 2.581 N/A SER 260.A OG GLU 139.A OE2 no hydrogen 3.173 N/A LEU 263.A N SER 260.A OG no hydrogen 3.277 N/A LYS 264.A N SER 260.A O no hydrogen 3.018 N/A ASP 265.A N SER 261.A O no hydrogen 3.025 N/A LEU 266.A N ASP 262.A O no hydrogen 2.995 N/A LEU 267.A N LEU 263.A O no hydrogen 2.834 N/A ARG 268.A N LYS 264.A O no hydrogen 2.906 N/A ASN 269.A N ASP 265.A O no hydrogen 3.274 N/A ASN 269.A ND2 ASP 265.A O no hydrogen 2.909 N/A LEU 270.A N LEU 266.A O no hydrogen 3.006 N/A LEU 271.A N LEU 267.A O no hydrogen 2.805 N/A ASP 274.A N GLN 272.A OE1 no hydrogen 3.004 N/A THR 276.A N ASP 274.A OD2 no hydrogen 2.775 N/A THR 276.A OG1 ASP 274.A OD1 no hydrogen 3.474 N/A THR 276.A OG1 ASP 274.A OD2 no hydrogen 2.488 N/A LYS 277.A N ASP 274.A O no hydrogen 2.813 N/A ARG 278.A NE GLN 272.A O no hydrogen 2.925 N/A ARG 278.A NH1 GLU 206.A OE2 no hydrogen 3.013 N/A ARG 278.A NH1 GLN 272.A O no hydrogen 3.043 N/A ARG 278.A NH2 GLU 206.A OE1 no hydrogen 2.801 N/A ARG 278.A NH2 ALA 216.A O no hydrogen 3.128 N/A PHE 279.A N ASN 269.A O no hydrogen 2.883 N/A ASN 281.A N ARG 278.A O no hydrogen 2.863 N/A ASN 281.A ND2 LEU 275.A O no hydrogen 2.905 N/A GLY 285.A N LEU 282.A O no hydrogen 2.914 N/A ASN 287.A N ASN 284.A O no hydrogen 3.212 N/A ASP 288.A N GLY 285.A O no hydrogen 3.225 N/A LYS 290.A N VAL 286.A O no hydrogen 2.908 N/A LYS 290.A NZ GLU 154.A OE2 no hydrogen 2.759 N/A ASN 291.A N ASN 287.A O no hydrogen 2.976 N/A HIS 292.A N ILE 289.A O no hydrogen 3.004 N/A HIS 292.A NE2 ASP 265.A OD2 no hydrogen 2.586 N/A TRP 294.A N HIS 292.A ND1 no hydrogen 2.995 N/A TRP 294.A NE1 GLU 139.A OE1 no hydrogen 2.890 N/A PHE 295.A N HIS 292.A O no hydrogen 2.882 N/A ALA 296.A N LYS 293.A O no hydrogen 3.032 N/A THR 298.A N PHE 295.A O no hydrogen 2.933 N/A ALA 302.A N ASP 299.A OD2 no hydrogen 3.080 N/A ILE 303.A N ASP 299.A O no hydrogen 2.914 N/A TYR 304.A N TRP 300.A O no hydrogen 3.049 N/A GLN 305.A N ILE 301.A O no hydrogen 2.989 N/A ARG 306.A N ILE 303.A O no hydrogen 2.951 N/A ARG 306.A NH1 ASP 174.A OD1 no hydrogen 3.502 N/A ARG 306.A NH2 PRO 101.A O no hydrogen 3.416 N/A ARG 306.A NH2 ASP 174.A OD1 no hydrogen 3.330 N/A LYS 307.A N ALA 302.A O no hydrogen 2.897 N/A ASP 321.A N GLY 318.A O no hydrogen 3.431 N/A SER 323.A N ASP 321.A OD2 no hydrogen 3.459 N/A SER 323.A OG ASP 321.A OD1 no hydrogen 3.108 N/A SER 323.A OG ASP 321.A OD2 no hydrogen 3.376 N/A ASN 324.A ND2 ALA 124.A O no hydrogen 2.865 N/A ASN 324.A ND2 LYS 315.A O no hydrogen 3.253 N/A PHE 325.A N THR 322.A O no hydrogen 2.730 N/A LYS 339.A N ASN 113.A O no hydrogen 2.745 N/A CYS 340.A SG LYS 76.A O no hydrogen 3.610 N/A GLU 343.A N GLU 343.A OE1 no hydrogen 3.026 N/A PHE 344.A N CYS 340.A O no hydrogen 3.438 N/A THR 345.A N LYS 342.A O no hydrogen 3.273 N/A PHE 347.A N PHE 344.A O no hydrogen 2.876 N/A