Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pvg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 201.A OD2 no hydrogen 3.076 N/A SER 1.A OG HIS 302.A NE2 no hydrogen 2.907 N/A SER 1.A OG GLN 303.A OE1 no hydrogen 2.854 N/A ALA 3.A N TYR 175.A OH no hydrogen 2.976 N/A TYR 6.A OH ASP 138.A OD1 no hydrogen 2.765 N/A VAL 9.A N TYR 6.A O no hydrogen 3.462 N/A ASN 10.A ND2 GLY 144.A O no hydrogen 3.033 N/A ASN 10.A ND2 TYR 175.A O no hydrogen 2.857 N/A LEU 12.A N ASP 8.A O no hydrogen 3.030 N/A ARG 13.A N VAL 9.A O no hydrogen 3.232 N/A ARG 13.A NH1 GLN 143.A OE1 no hydrogen 2.811 N/A ARG 13.A NH2 GLN 143.A OE1 no hydrogen 2.949 N/A TYR 17.A N PRO 14.A O no hydrogen 2.895 N/A TYR 17.A OH GLN 143.A O no hydrogen 2.627 N/A TRP 18.A N LYS 15.A O no hydrogen 3.250 N/A ASP 19.A N LYS 15.A O no hydrogen 2.796 N/A TYR 20.A N TRP 18.A O no hydrogen 2.849 N/A TYR 20.A OH GLU 173.A OE2 no hydrogen 3.088 N/A ALA 22.A N ASP 19.A O no hydrogen 3.124 N/A LEU 23.A N TYR 20.A O no hydrogen 3.098 N/A GLN 26.A NE2 THR 24.A O no hydrogen 3.219 N/A GLY 28.A N ILE 93.A O no hydrogen 2.770 N/A ASP 31.A N GLU 29.A OE2 no hydrogen 2.979 N/A ASP 32.A N GLU 29.A O no hydrogen 2.973 N/A TYR 33.A N GLN 30.A O no hydrogen 3.269 N/A TYR 33.A OH ASP 92.A OD2 no hydrogen 2.576 N/A GLU 34.A N ILE 51.A O no hydrogen 2.895 N/A VAL 36.A N GLU 49.A O no hydrogen 2.787 N/A ARG 37.A N GLU 49.A O no hydrogen 3.213 N/A LYS 38.A NZ GLU 46.A OE2 no hydrogen 2.262 N/A VAL 39.A N VAL 47.A O no hydrogen 2.808 N/A GLY 40.A N VAL 47.A O no hydrogen 3.123 N/A ARG 41.A NH1 ARG 41.A O no hydrogen 2.987 N/A GLY 42.A N SER 45.A O no hydrogen 2.820 N/A GLU 46.A N ILE 63.A O no hydrogen 2.917 N/A VAL 47.A N GLY 40.A O no hydrogen 2.851 N/A PHE 48.A N ILE 61.A O no hydrogen 2.801 N/A GLU 49.A N ARG 37.A O no hydrogen 2.793 N/A GLY 50.A N CYS 59.A O no hydrogen 2.838 N/A ILE 51.A N GLU 34.A O no hydrogen 2.936 N/A ASN 52.A N GLU 57.A O no hydrogen 2.823 N/A VAL 53.A N ASP 32.A O no hydrogen 2.797 N/A ASN 54.A N ASN 52.A OD1 no hydrogen 2.869 N/A ASN 55.A N ASN 52.A OD1 no hydrogen 3.376 N/A ASN 56.A N ASN 52.A O no hydrogen 2.688 N/A GLU 57.A N ASN 55.A OD1 no hydrogen 2.943 N/A LYS 58.A NZ GLU 49.A OE2 no hydrogen 2.976 N/A CYS 59.A N GLY 50.A O no hydrogen 3.052 N/A ILE 60.A N PHE 106.A O no hydrogen 2.976 N/A ILE 61.A N PHE 48.A O no hydrogen 2.746 N/A LYS 62.A N LEU 104.A O no hydrogen 2.818 N/A LYS 62.A NZ GLU 75.A OE2 no hydrogen 2.728 N/A LYS 62.A NZ ASP 168.A OD1 no hydrogen 3.034 N/A ILE 63.A N GLU 46.A O no hydrogen 2.766 N/A LEU 64.A N PRO 102.A O no hydrogen 2.939 N/A LYS 65.A N TYR 44.A O no hydrogen 2.937 N/A LYS 65.A NZ GLY 42.A O no hydrogen 2.745 N/A LYS 71.A NZ GLY 170.A O no hydrogen 2.711 N/A ILE 72.A N LYS 68.A O no hydrogen 3.227 N/A LYS 73.A N LYS 69.A O no hydrogen 2.995 N/A LYS 73.A NZ GLU 21.A O no hydrogen 3.093 N/A LYS 73.A NZ LEU 23.A O no hydrogen 3.070 N/A ARG 74.A N LYS 70.A O no hydrogen 2.973 N/A ARG 74.A NH1 GLU 173.A OE2 no hydrogen 3.420 N/A ARG 74.A NH2 GLY 170.A O no hydrogen 3.027 N/A GLU 75.A N LYS 71.A O no hydrogen 3.148 N/A ILE 76.A N ILE 72.A O no hydrogen 2.976 N/A LYS 77.A N LYS 73.A O no hydrogen 2.877 N/A LYS 77.A NZ GLU 16.A O no hydrogen 3.190 N/A ILE 78.A N ARG 74.A O no hydrogen 3.025 N/A LEU 79.A N GLU 75.A O no hydrogen 2.896 N/A GLN 80.A N ILE 76.A O no hydrogen 2.870 N/A ASN 81.A N LYS 77.A O no hydrogen 2.880 N/A ASN 81.A ND2 TYR 17.A O no hydrogen 2.936 N/A LEU 82.A N ILE 78.A O no hydrogen 3.010 N/A GLY 84.A N LEU 82.A O no hydrogen 2.981 N/A ASN 86.A ND2 GLU 132.A O no hydrogen 2.963 N/A ASN 86.A ND2 GLU 132.A OE1 no hydrogen 2.784 N/A ILE 87.A N GLY 84.A O no hydrogen 3.264 N/A VAL 88.A N LEU 166.A O no hydrogen 3.243 N/A LYS 89.A N GLU 107.A OE2 no hydrogen 3.075 N/A LEU 91.A N ILE 105.A O no hydrogen 2.660 N/A ASP 92.A N ILE 105.A O no hydrogen 3.167 N/A ILE 93.A N ASP 92.A OD1 no hydrogen 2.907 N/A VAL 94.A N SER 103.A O no hydrogen 2.932 N/A ASP 96.A N THR 101.A O no hydrogen 3.045 N/A SER 99.A N ASP 96.A OD2 no hydrogen 2.815 N/A SER 99.A OG ASP 96.A OD2 no hydrogen 2.285 N/A SER 99.A OG THR 101.A OG1 no hydrogen 2.789 N/A LYS 100.A N ASP 96.A O no hydrogen 2.552 N/A LYS 100.A NZ GLN 97.A O no hydrogen 3.552 N/A THR 101.A N SER 99.A OG no hydrogen 3.228 N/A THR 101.A OG1 SER 99.A OG no hydrogen 2.789 N/A SER 103.A N VAL 94.A O no hydrogen 2.806 N/A LEU 104.A N LYS 62.A O no hydrogen 2.809 N/A ILE 105.A N ASP 92.A O no hydrogen 2.867 N/A PHE 106.A N ILE 60.A O no hydrogen 2.831 N/A GLU 107.A N LYS 89.A O no hydrogen 3.014 N/A TYR 108.A OH ASN 110.A OD1 no hydrogen 2.573 N/A THR 112.A N ILE 157.A O no hydrogen 3.000 N/A THR 112.A OG1 ILE 157.A O no hydrogen 2.982 N/A LYS 115.A N ASP 113.A OD2 no hydrogen 2.943 N/A VAL 116.A N ASP 113.A O no hydrogen 3.018 N/A LEU 117.A N ASP 113.A O no hydrogen 2.968 N/A TYR 118.A N PHE 114.A O no hydrogen 2.843 N/A THR 120.A N LEU 117.A O no hydrogen 2.837 N/A THR 120.A OG1 LEU 117.A O no hydrogen 2.835 N/A LEU 121.A N TYR 118.A O no hydrogen 3.079 N/A THR 122.A N ASP 125.A OD2 no hydrogen 2.693 N/A ASP 125.A N THR 122.A OG1 no hydrogen 3.115 N/A ILE 126.A N THR 122.A O no hydrogen 3.079 N/A ARG 127.A N ASP 123.A O no hydrogen 3.080 N/A ARG 127.A NE ASP 123.A OD1 no hydrogen 3.100 N/A ARG 127.A NE ASP 123.A OD2 no hydrogen 3.422 N/A ARG 127.A NH1 TYR 316.A O no hydrogen 2.897 N/A ARG 127.A NH2 ASP 123.A OD1 no hydrogen 2.948 N/A ARG 127.A NH2 ASP 123.A OD2 no hydrogen 3.534 N/A TYR 128.A N TYR 124.A O no hydrogen 2.804 N/A TYR 128.A OH ARG 162.A O no hydrogen 2.971 N/A TYR 129.A N ASP 125.A O no hydrogen 2.882 N/A ILE 130.A N ILE 126.A O no hydrogen 2.938 N/A TYR 131.A N ARG 127.A O no hydrogen 2.905 N/A GLU 132.A N TYR 128.A O no hydrogen 3.009 N/A LEU 133.A N TYR 129.A O no hydrogen 2.919 N/A LEU 134.A N ILE 130.A O no hydrogen 2.823 N/A LYS 135.A N TYR 131.A O no hydrogen 2.990 N/A LYS 135.A NZ GLU 132.A OE1 no hydrogen 3.492 N/A LYS 135.A NZ GLU 132.A OE2 no hydrogen 3.066 N/A LYS 135.A NZ GLU 324.A OE1 no hydrogen 2.822 N/A ALA 136.A N GLU 132.A O no hydrogen 3.406 N/A LEU 137.A N LEU 133.A O no hydrogen 3.033 N/A ASP 138.A N LEU 134.A O no hydrogen 2.788 N/A TYR 139.A N LYS 135.A O no hydrogen 2.947 N/A CYS 140.A N ALA 136.A O no hydrogen 2.896 N/A CYS 140.A SG ALA 136.A O no hydrogen 3.734 N/A CYS 140.A SG LEU 137.A O no hydrogen 3.607 N/A CYS 140.A SG ILE 145.A O no hydrogen 3.599 N/A HIS 141.A N LEU 137.A O no hydrogen 2.845 N/A HIS 141.A NE2 ASP 207.A OD2 no hydrogen 2.784 N/A SER 142.A N ASP 138.A O no hydrogen 2.814 N/A SER 142.A OG ASP 138.A O no hydrogen 3.318 N/A SER 142.A OG TYR 139.A O no hydrogen 2.680 N/A GLN 143.A N TYR 139.A O no hydrogen 3.083 N/A GLN 143.A N CYS 140.A O no hydrogen 2.997 N/A GLN 143.A NE2 SER 142.A OG no hydrogen 3.091 N/A GLY 144.A N HIS 141.A O no hydrogen 2.867 N/A ILE 145.A N CYS 140.A O no hydrogen 2.935 N/A MET 146.A N GLU 173.A O no hydrogen 2.806 N/A HIS 147.A N ASP 207.A OD2 no hydrogen 2.914 N/A HIS 147.A NE2 ILE 167.A O no hydrogen 2.888 N/A ARG 148.A N ASP 207.A OD1 no hydrogen 2.840 N/A ARG 148.A NE LEU 171.A O no hydrogen 2.716 N/A ARG 148.A NH1 TYR 202.A OH no hydrogen 2.864 N/A ARG 148.A NH2 LEU 171.A O no hydrogen 2.778 N/A ASP 149.A N HIS 147.A ND1 no hydrogen 2.985 N/A LYS 151.A NZ SER 187.A OG.B no hydrogen 2.978 N/A HIS 153.A N HIS 153.A ND1 no hydrogen 2.598 N/A ASN 154.A N LYS 151.A O no hydrogen 2.975 N/A ASN 154.A ND2 ASP 149.A O no hydrogen 2.818 N/A ASN 154.A ND2 ASP 149.A OD2 no hydrogen 3.112 N/A VAL 155.A N PRO 152.A O no hydrogen 2.974 N/A MET 156.A N ARG 165.A O no hydrogen 2.777 N/A ILE 157.A N ASN 111.A OD1 no hydrogen 2.745 N/A ASP 158.A N LYS 163.A O no hydrogen 2.841 N/A LEU 161.A N ASP 158.A OD1 no hydrogen 3.184 N/A ARG 162.A N HIS 159.A O no hydrogen 3.342 N/A ARG 162.A NH1 ASP 125.A OD1 no hydrogen 3.072 N/A ARG 162.A NH2 ASP 125.A OD1 no hydrogen 2.569 N/A LYS 163.A N ASP 158.A O no hydrogen 3.106 N/A ARG 165.A N MET 156.A O no hydrogen 2.862 N/A ARG 165.A NE GLU 107.A OE1 no hydrogen 3.092 N/A ARG 165.A NH1 LEU 164.A O no hydrogen 2.953 N/A LEU 166.A N ASN 86.A O no hydrogen 2.831 N/A ILE 167.A N ASN 154.A O no hydrogen 2.887 N/A TRP 169.A NE1 LEU 166.A O no hydrogen 2.933 N/A GLY 170.A N ASP 168.A OD1 no hydrogen 3.060 N/A ALA 172.A N TRP 169.A O no hydrogen 3.230 N/A GLU 173.A N MET 146.A O no hydrogen 3.015 N/A PHE 174.A N GLU 173.A OE1 no hydrogen 2.797 N/A TYR 175.A N GLY 144.A O no hydrogen 2.809 N/A HIS 176.A N TYR 181.A OH no hydrogen 2.823 N/A LYS 179.A N HIS 176.A O no hydrogen 3.049 N/A TYR 181.A N GLN 200.A O no hydrogen 2.809 N/A TYR 181.A OH PHE 174.A O no hydrogen 2.609 N/A ARG 184.A N ASN 182.A OD1 no hydrogen 2.840 N/A SER 187.A OG.B ASP 149.A OD1 no hydrogen 2.830 N/A ARG 188.A NE GLY 228.A O no hydrogen 2.835 N/A ARG 188.A NH2 GLY 228.A O no hydrogen 3.503 N/A PHE 190.A N SER 187.A O no hydrogen 2.818 N/A LYS 191.A N ARG 188.A O no hydrogen 3.090 N/A LYS 191.A NZ VAL 185.A O no hydrogen 2.743 N/A LYS 191.A NZ ALA 186.A O no hydrogen 3.441 N/A GLU 194.A N GLU 194.A OE1 no hydrogen 2.722 N/A LEU 195.A N GLY 192.A O no hydrogen 2.892 N/A LEU 196.A N GLY 192.A O no hydrogen 3.295 N/A VAL 197.A N PRO 193.A O no hydrogen 2.855 N/A ASP 198.A N LEU 195.A O no hydrogen 3.354 N/A LEU 199.A N GLU 194.A O no hydrogen 2.880 N/A GLN 200.A NE2 TYR 181.A O no hydrogen 3.015 N/A TYR 202.A OH ASN 182.A O no hydrogen 2.735 N/A TYR 204.A OH TYR 6.A O no hydrogen 2.767 N/A SER 205.A N ASP 203.A OD1 no hydrogen 2.935 N/A SER 205.A OG ASP 203.A OD1 no hydrogen 2.733 N/A SER 205.A OG HIS 302.A O no hydrogen 3.546 N/A LEU 206.A N ASP 203.A O no hydrogen 3.007 N/A ASP 207.A N TYR 204.A O no hydrogen 2.944 N/A MET 208.A N SER 205.A O no hydrogen 3.035 N/A TRP 209.A N SER 205.A O no hydrogen 3.276 N/A SER 210.A N LEU 206.A O no hydrogen 3.204 N/A SER 210.A OG PHE 190.A O no hydrogen 2.800 N/A SER 210.A OG LEU 206.A O no hydrogen 3.447 N/A LEU 211.A N ASP 207.A O no hydrogen 2.892 N/A GLY 212.A N MET 208.A O no hydrogen 3.021 N/A CYS 213.A N TRP 209.A O no hydrogen 2.918 N/A CYS 213.A SG TYR 189.A O no hydrogen 3.748 N/A CYS 213.A SG TRP 209.A O no hydrogen 3.559 N/A MET 214.A N SER 210.A O no hydrogen 3.005 N/A PHE 215.A N LEU 211.A O no hydrogen 2.844 N/A ALA 216.A N GLY 212.A O no hydrogen 2.816 N/A GLY 217.A N CYS 213.A O no hydrogen 3.024 N/A MET 218.A N MET 214.A O no hydrogen 3.028 N/A ILE 219.A N PHE 215.A O no hydrogen 2.917 N/A PHE 220.A N ALA 216.A O no hydrogen 2.954 N/A ARG 221.A NH2 ASP 281.A OD2 no hydrogen 2.882 N/A LYS 222.A N GLY 217.A O no hydrogen 3.063 N/A LYS 222.A NZ PRO 224.A O no hydrogen 2.843 N/A LYS 222.A NZ PHE 225.A O no hydrogen 3.208 N/A GLY 228.A N GLN 234.A OE1 no hydrogen 2.898 N/A HIS 229.A N ASP 233.A OD2 no hydrogen 2.846 N/A ASP 233.A N ASP 230.A OD1 no hydrogen 2.870 N/A GLN 234.A N ASP 230.A O no hydrogen 2.880 N/A GLN 234.A NE2 PHE 226.A O no hydrogen 3.023 N/A LEU 235.A N ASN 231.A O no hydrogen 3.341 N/A VAL 236.A N HIS 232.A O no hydrogen 3.156 N/A LYS 237.A N ASP 233.A O no hydrogen 2.852 N/A ILE 238.A N GLN 234.A O no hydrogen 3.090 N/A ALA 239.A N LEU 235.A O no hydrogen 2.798 N/A LYS 240.A N VAL 236.A O no hydrogen 2.884 N/A VAL 241.A N ILE 238.A O no hydrogen 2.881 N/A LEU 242.A N ILE 238.A O no hydrogen 2.816 N/A GLY 243.A N ALA 239.A O no hydrogen 2.818 N/A THR 244.A N HIS 269.A O no hydrogen 2.861 N/A THR 244.A OG1 HIS 269.A O no hydrogen 3.235 N/A ASN 248.A N THR 244.A O no hydrogen 2.868 N/A VAL 249.A N ASP 245.A O no hydrogen 3.025 N/A TYR 250.A N GLY 246.A O no hydrogen 3.028 N/A TYR 250.A OH HIS 302.A ND1 no hydrogen 2.966 N/A LEU 251.A N LEU 247.A O no hydrogen 2.856 N/A ASN 252.A N ASN 248.A O no hydrogen 2.918 N/A LYS 253.A N VAL 249.A O no hydrogen 2.992 N/A LYS 253.A NZ TYR 254.A OH no hydrogen 3.514 N/A LYS 253.A NZ ASP 301.A OD2 no hydrogen 2.836 N/A TYR 254.A N TYR 250.A O no hydrogen 3.142 N/A TYR 254.A OH ASP 301.A OD1 no hydrogen 2.616 N/A ARG 255.A N ASN 252.A O no hydrogen 3.237 N/A ILE 256.A N LEU 251.A O no hydrogen 2.915 N/A GLU 263.A N ASP 259.A O no hydrogen 2.857 N/A ALA 264.A N PRO 260.A O no hydrogen 2.865 N/A LEU 265.A N GLN 261.A O no hydrogen 2.954 N/A VAL 266.A N LEU 262.A O no hydrogen 3.053 N/A GLY 267.A N GLU 263.A O no hydrogen 3.381 N/A HIS 269.A N THR 244.A OG1 no hydrogen 2.918 N/A LYS 272.A N VAL 241.A O no hydrogen 2.825 N/A LYS 272.A NZ LYS 240.A O no hydrogen 2.923 N/A LYS 272.A NZ SER 270.A O no hydrogen 2.718 N/A TRP 274.A NE1 ASP 295.A OD1 no hydrogen 2.987 N/A LYS 276.A N PRO 273.A O no hydrogen 2.949 N/A PHE 277.A N TRP 274.A O no hydrogen 3.224 N/A MET 278.A N LEU 275.A O no hydrogen 3.304 N/A ASN 279.A N ASN 282.A OD1 no hydrogen 2.999 N/A ASP 281.A N ASN 279.A OD1 no hydrogen 3.159 N/A ASN 282.A N ASN 279.A O no hydrogen 3.443 N/A ASN 282.A ND2 PHE 220.A O no hydrogen 2.807 N/A ASN 282.A ND2 PHE 277.A O no hydrogen 3.171 N/A LEU 285.A N ASN 282.A O no hydrogen 2.751 N/A VAL 286.A N GLN 283.A O no hydrogen 3.377 N/A ILE 291.A N SER 287.A O no hydrogen 3.036 N/A ASP 292.A N PRO 288.A O no hydrogen 2.843 N/A PHE 293.A N GLU 289.A O no hydrogen 2.988 N/A LEU 294.A N ALA 290.A O no hydrogen 2.837 N/A ASP 295.A N ILE 291.A O no hydrogen 2.876 N/A LYS 296.A N ASP 292.A O no hydrogen 3.223 N/A LYS 296.A N PHE 293.A O no hydrogen 3.002 N/A LYS 296.A NZ ASP 292.A OD2 no hydrogen 2.941 N/A LEU 297.A N LEU 294.A O no hydrogen 2.980 N/A LEU 298.A N LEU 294.A O no hydrogen 2.986 N/A ARG 299.A N LEU 297.A O no hydrogen 3.030 N/A ARG 299.A NE ASP 295.A O no hydrogen 2.849 N/A ARG 299.A NH1 GLU 304.A OE2 no hydrogen 3.356 N/A ARG 299.A NH2 ASP 295.A OD2 no hydrogen 3.454 N/A TYR 300.A OH GLY 243.A O no hydrogen 2.642 N/A HIS 302.A ND1 TYR 250.A OH no hydrogen 2.966 N/A HIS 302.A NE2 SER 1.A OG no hydrogen 2.907 N/A GLN 303.A N ASP 301.A OD1 no hydrogen 2.989 N/A GLU 304.A N ASP 301.A O no hydrogen 2.891 N/A ARG 305.A N HIS 302.A O no hydrogen 3.387 N/A ARG 305.A NE ARG 299.A O no hydrogen 2.957 N/A ARG 305.A NH1 GLU 194.A OE1 no hydrogen 3.394 N/A ARG 305.A NH1 GLU 194.A OE2 no hydrogen 2.838 N/A ARG 305.A NH1 SER 205.A O no hydrogen 2.936 N/A ARG 305.A NH2 GLU 194.A OE1 no hydrogen 2.878 N/A ARG 305.A NH2 ARG 299.A O no hydrogen 3.170 N/A LEU 306.A N LYS 296.A O no hydrogen 3.056 N/A THR 307.A N GLU 310.A OE1 no hydrogen 3.016 N/A THR 307.A OG1 GLU 310.A OE1 no hydrogen 3.321 N/A GLU 310.A N THR 307.A OG1 no hydrogen 3.076 N/A ALA 311.A N THR 307.A O no hydrogen 2.826 N/A MET 312.A N ALA 308.A O no hydrogen 3.031 N/A THR 313.A N GLU 310.A O no hydrogen 3.032 N/A THR 313.A OG1 GLU 310.A O no hydrogen 2.868 N/A HIS 314.A N ALA 311.A O no hydrogen 3.047 N/A HIS 314.A NE2 ASP 292.A OD2 no hydrogen 2.712 N/A TYR 316.A N HIS 314.A ND1 no hydrogen 2.812 N/A PHE 317.A N HIS 314.A O no hydrogen 2.938 N/A GLN 318.A N PRO 315.A O no hydrogen 2.891 N/A ARG 321.A N PHE 317.A O no hydrogen 2.958 N/A ARG 321.A NH1 MET 312.A O no hydrogen 2.833 N/A ARG 321.A NH1 HIS 314.A O no hydrogen 2.788 N/A ALA 322.A N GLN 318.A O no hydrogen 2.873 N/A ALA 323.A N GLN 319.A O no hydrogen 2.939 N/A GLU 324.A N VAL 320.A O no hydrogen 3.022 N/A ASN 325.A N ARG 321.A O no hydrogen 2.920 N/A