Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pvk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N PHE 170.A O no hydrogen 2.781 N/A VAL 4.A N ILE 168.A O no hydrogen 2.765 N/A LEU 6.A N GLY 166.A O no hydrogen 2.871 N/A HIS 7.A N ALA 14.A O no hydrogen 2.725 N/A ASN 8.A N ALA 164.A O no hydrogen 2.875 N/A ASN 8.A ND2 PRO 161.A O no hydrogen 3.223 N/A ASN 8.A ND2 ALA 163.A O no hydrogen 2.935 N/A GLU 9.A N THR 12.A O no hydrogen 2.815 N/A GLN 10.A N ASN 8.A OD1 no hydrogen 2.838 N/A VAL 11.A N GLU 9.A O no hydrogen 2.803 N/A ALA 14.A N HIS 7.A O no hydrogen 3.038 N/A ALA 15.A N VAL 28.A O no hydrogen 2.758 N/A ILE 17.A N LEU 26.A O no hydrogen 2.818 N/A THR 18.A N GLY 99.A O no hydrogen 2.800 N/A VAL 19.A N GLN 24.A O no hydrogen 2.855 N/A GLY 20.A N THR 97.A O no hydrogen 2.787 N/A SER 21.A N SER 69.A OG no hydrogen 2.873 N/A SER 21.A OG SER 70.A OG no hydrogen 3.189 N/A ASN 23.A N GLY 20.A O no hydrogen 3.032 N/A GLN 24.A N VAL 19.A O no hydrogen 2.891 N/A GLN 24.A NE2 ASN 22.A OD1 no hydrogen 2.964 N/A GLN 24.A NE2 ASP 65.A O no hydrogen 2.959 N/A LEU 26.A N ILE 17.A O no hydrogen 2.996 N/A ASN 27.A N LYS 61.A O no hydrogen 2.911 N/A ASN 27.A ND2 ASP 16.A OD1 no hydrogen 2.892 N/A VAL 28.A N ALA 15.A O no hydrogen 2.896 N/A ILE 29.A N GLY 121.A O no hydrogen 2.926 N/A VAL 30.A N TYR 13.A O no hydrogen 2.911 N/A ASP 31.A N LEU 123.A O no hydrogen 3.011 N/A THR 32.A N SER 218.A OG no hydrogen 2.921 N/A THR 32.A OG1 LEU 216.A O no hydrogen 3.089 N/A GLY 33.A N ASP 31.A OD1 no hydrogen 2.965 N/A SER 34.A OG ASP 31.A OD2 no hydrogen 2.610 N/A SER 35.A OG TYR 127.A O no hydrogen 2.666 N/A TRP 38.A N ILE 122.A O no hydrogen 2.958 N/A TRP 38.A NE1 TYR 83.A OH no hydrogen 2.812 N/A VAL 39.A N ALA 111.A O no hydrogen 2.943 N/A ASP 41.A N VAL 113.A O no hydrogen 2.831 N/A VAL 42.A N TYR 64.A O no hydrogen 2.822 N/A ASN 43.A N ASP 41.A OD2 no hydrogen 2.838 N/A VAL 44.A N ASP 41.A O no hydrogen 2.980 N/A ASP 45.A N ASP 114.A O no hydrogen 2.824 N/A GLN 47.A N THR 116.A O no hydrogen 2.742 N/A GLN 47.A NE2 ASP 45.A O no hydrogen 3.126 N/A THR 49.A N GLN 53.A OE1 no hydrogen 2.582 N/A THR 49.A OG1 GLN 53.A OE1 no hydrogen 3.422 N/A TYR 50.A N GLN 53.A OE1 no hydrogen 2.830 N/A ASP 52.A N ASP 52.A OD2 no hydrogen 2.583 N/A GLN 53.A N TYR 50.A O no hydrogen 3.208 N/A THR 54.A OG1 ASP 56.A OD1 no hydrogen 2.658 N/A PHE 57.A N THR 54.A O no hydrogen 2.998 N/A LYS 59.A N ASP 56.A O no hydrogen 2.978 N/A LYS 59.A NZ VAL 42.A O no hydrogen 3.124 N/A GLN 60.A NE2 ASP 56.A O no hydrogen 2.923 N/A LYS 61.A NZ ASN 27.A OD1 no hydrogen 3.363 N/A GLY 62.A N LYS 59.A O no hydrogen 3.312 N/A TYR 64.A N PRO 40.A O no hydrogen 2.834 N/A TYR 64.A OH ASP 96.A OD2 no hydrogen 2.580 N/A ASP 65.A N GLN 24.A OE1 no hydrogen 2.783 N/A SER 67.A N ASP 65.A OD1 no hydrogen 2.906 N/A SER 67.A OG ASP 65.A OD1 no hydrogen 2.648 N/A SER 67.A OG ASP 65.A OD2 no hydrogen 3.382 N/A GLY 68.A N ASP 65.A O no hydrogen 3.008 N/A SER 69.A N PRO 66.A O no hydrogen 3.206 N/A SER 69.A OG ASP 96.A OD1 no hydrogen 2.731 N/A SER 69.A OG ASP 96.A OD2 no hydrogen 3.171 N/A SER 70.A N SER 21.A OG no hydrogen 2.900 N/A SER 70.A OG SER 21.A OG no hydrogen 3.189 N/A ALA 71.A N SER 69.A OG no hydrogen 3.100 N/A SER 72.A N SER 69.A O no hydrogen 3.388 N/A SER 72.A OG PRO 66.A O no hydrogen 2.761 N/A SER 72.A OG SER 69.A O no hydrogen 3.215 N/A GLN 73.A N LYS 95.A O no hydrogen 2.884 N/A LEU 75.A N LEU 93.A O no hydrogen 2.863 N/A ASN 76.A N ASP 74.A OD1 no hydrogen 2.866 N/A THR 77.A OG1 LEU 75.A O no hydrogen 2.963 N/A PHE 79.A N GLY 91.A O no hydrogen 2.863 N/A ILE 81.A N SER 89.A O no hydrogen 2.945 N/A TYR 83.A N SER 87.A O no hydrogen 3.282 N/A SER 87.A N ASP 85.A OD1 no hydrogen 2.938 N/A SER 87.A OG.A ASP 85.A OD1 no hydrogen 2.741 N/A SER 87.A OG.B ASP 85.A OD1 no hydrogen 3.188 N/A SER 88.A N SER 117.A OG no hydrogen 3.406 N/A SER 89.A N ILE 81.A O no hydrogen 3.022 N/A SER 89.A OG THR 116.A OG1 no hydrogen 2.730 N/A GLN 90.A N SER 115.A O no hydrogen 2.944 N/A GLY 91.A N PHE 79.A O no hydrogen 2.896 N/A THR 92.A N ASP 112.A O no hydrogen 2.976 N/A LEU 93.A N THR 77.A O no hydrogen 2.840 N/A TYR 94.A N LEU 110.A O no hydrogen 2.865 N/A LYS 95.A N GLN 73.A O no hydrogen 2.881 N/A ASP 96.A N GLN 108.A O no hydrogen 3.058 N/A THR 97.A N ASP 96.A OD1 no hydrogen 2.793 N/A VAL 98.A N ILE 105.A O no hydrogen 2.922 N/A GLY 99.A N THR 18.A O no hydrogen 2.851 N/A PHE 100.A N VAL 103.A O no hydrogen 3.075 N/A VAL 103.A N PHE 100.A O no hydrogen 2.946 N/A ILE 105.A N VAL 98.A O no hydrogen 2.818 N/A LYS 106.A N GLN 146.A OE1 no hydrogen 2.969 N/A GLN 108.A N ASP 96.A O no hydrogen 2.957 N/A GLN 108.A NE2 VAL 109.A O no hydrogen 2.896 N/A GLN 108.A NE2 ASP 137.A O no hydrogen 3.038 N/A LEU 110.A N TYR 94.A O no hydrogen 2.902 N/A ALA 111.A N LEU 37.A O no hydrogen 2.908 N/A ASP 112.A N THR 92.A O no hydrogen 2.856 N/A VAL 113.A N VAL 39.A O no hydrogen 2.911 N/A ASP 114.A N GLN 90.A O no hydrogen 2.819 N/A SER 115.A N GLN 90.A O no hydrogen 3.220 N/A THR 116.A N ASP 45.A O no hydrogen 3.348 N/A THR 116.A OG1 SER 88.A O no hydrogen 3.114 N/A THR 116.A OG1 SER 89.A OG no hydrogen 2.730 N/A SER 117.A N SER 88.A O no hydrogen 3.306 N/A ILE 118.A N THR 116.A OG1 no hydrogen 2.947 N/A GLN 120.A NE2 GLU 9.A OE2 no hydrogen 3.362 N/A GLN 120.A NE2 ASN 27.A O no hydrogen 2.989 N/A GLN 120.A NE2 ASN 27.A OD1 no hydrogen 2.912 N/A ILE 122.A N TRP 38.A O no hydrogen 3.069 N/A LEU 123.A N ILE 29.A O no hydrogen 2.710 N/A GLY 124.A N ASP 36.A O no hydrogen 2.916 N/A VAL 125.A N ASP 31.A O no hydrogen 2.987 N/A GLY 126.A N SER 34.A O no hydrogen 2.913 N/A TYR 127.A OH ASN 312.A OD1 no hydrogen 2.722 N/A THR 129.A OG1 ASP 190.A O no hydrogen 2.719 N/A ASN 130.A N TYR 127.A O no hydrogen 2.931 N/A GLU 131.A N LYS 128.A O no hydrogen 3.212 N/A ALA 132.A N ASP 36.A OD1 no hydrogen 2.751 N/A GLY 133.A N ASP 36.A OD2 no hydrogen 3.018 N/A TYR 136.A N GLU 131.A OE1 no hydrogen 2.936 N/A TYR 136.A OH ASP 36.A OD2 no hydrogen 2.606 N/A ASN 138.A ND2 SER 35.A O no hydrogen 2.981 N/A ASN 138.A ND2 GLY 126.A O no hydrogen 2.911 N/A THR 142.A N ASN 138.A O no hydrogen 2.985 N/A THR 142.A OG1 GLN 108.A OE1 no hydrogen 2.683 N/A THR 142.A OG1 ASP 137.A O no hydrogen 3.561 N/A THR 142.A OG1 ASN 138.A O no hydrogen 3.315 N/A LEU 143.A N VAL 139.A O no hydrogen 2.934 N/A LYS 144.A N PRO 140.A O no hydrogen 3.328 N/A LYS 144.A NZ ASP 310.A OD1 no hydrogen 3.363 N/A LYS 144.A NZ ASP 310.A OD2 no hydrogen 2.869 N/A LYS 145.A N VAL 141.A O no hydrogen 2.884 N/A LYS 145.A NZ ASP 137.A OD1 no hydrogen 3.298 N/A LYS 145.A NZ ASP 137.A OD2 no hydrogen 2.752 N/A GLN 146.A N THR 142.A O no hydrogen 2.902 N/A GLN 146.A NE2 LYS 106.A O no hydrogen 2.799 N/A GLY 147.A N LYS 144.A O no hydrogen 2.993 N/A VAL 148.A N LEU 143.A O no hydrogen 2.904 N/A ILE 149.A N LEU 143.A O no hydrogen 3.296 N/A LYS 151.A NZ ASP 311.A OD2 no hydrogen 2.923 N/A ASN 152.A N ASP 310.A OD2 no hydrogen 2.876 N/A TYR 154.A N TYR 307.A O no hydrogen 2.859 N/A TYR 154.A OH VAL 125.A O no hydrogen 2.731 N/A SER 155.A N ILE 169.A O no hydrogen 2.884 N/A SER 155.A OG GLY 172.A O no hydrogen 2.738 N/A LEU 156.A N ILE 305.A O.A no hydrogen 2.823 N/A LEU 156.A N ILE 305.A O.B no hydrogen 2.849 N/A TYR 157.A N GLN 167.A O no hydrogen 2.876 N/A ASN 159.A ND2 THR 165.A O no hydrogen 2.884 N/A SER 160.A N ASN 159.A OD1 no hydrogen 2.781 N/A SER 160.A OG.A ASP 162.A OD1 no hydrogen 2.756 N/A SER 160.A OG.B ASP 162.A OD1 no hydrogen 2.630 N/A ALA 163.A N SER 160.A O no hydrogen 2.947 N/A GLY 166.A N LEU 6.A O no hydrogen 2.832 N/A GLN 167.A N TYR 157.A O no hydrogen 2.813 N/A ILE 168.A N VAL 4.A O no hydrogen 2.936 N/A ILE 169.A N SER 155.A O no hydrogen 2.877 N/A PHE 170.A N VAL 2.A O no hydrogen 2.971 N/A GLY 171.A N ALA 153.A O no hydrogen 2.751 N/A VAL 173.A N SER 328.A O no hydrogen 2.854 N/A ASP 174.A N TYR 304.A OH no hydrogen 2.827 N/A ASN 175.A N SER 326.A O no hydrogen 2.889 N/A ASN 175.A ND2 SER 328.A OG.A no hydrogen 3.052 N/A ALA 176.A N ASP 174.A OD1 no hydrogen 3.040 N/A LYS 177.A N ASP 174.A O no hydrogen 3.215 N/A LYS 177.A NZ ASP 174.A OD2 no hydrogen 2.814 N/A LYS 177.A NZ THR 322.A O no hydrogen 3.291 N/A LYS 177.A NZ ALA 324.A O no hydrogen 2.714 N/A LYS 177.A NZ SER 325.A OG.B no hydrogen 3.163 N/A TYR 178.A OH ASN 175.A OD1 no hydrogen 2.687 N/A SER 179.A N GLN 318.A O no hydrogen 2.984 N/A SER 179.A OG.A GLN 318.A O no hydrogen 3.562 N/A ILE 183.A N LEU 316.A O no hydrogen 3.012 N/A LEU 185.A N ILE 314.A O no hydrogen 2.814 N/A VAL 187.A N ASN 312.A O no hydrogen 3.008 N/A THR 188.A N ARG 194.A O no hydrogen 2.923 N/A THR 188.A OG1 ASP 213.A OD1 no hydrogen 2.925 N/A ARG 191.A N SER 189.A OG no hydrogen 3.024 N/A ARG 191.A NH1 ASN 130.A OD1 no hydrogen 2.860 N/A GLU 192.A N SER 189.A OG no hydrogen 2.968 N/A ARG 194.A N GLU 192.A O no hydrogen 2.939 N/A ARG 194.A NE GLU 192.A OE1 no hydrogen 2.923 N/A ARG 194.A NH1 ASP 213.A O no hydrogen 2.913 N/A ARG 194.A NH1 ALA 292.A O no hydrogen 2.917 N/A ARG 194.A NH1 ASN 293.A O no hydrogen 3.055 N/A ARG 194.A NH2 GLU 192.A OE1 no hydrogen 3.028 N/A ARG 194.A NH2 ALA 292.A O no hydrogen 2.936 N/A ILE 195.A N VAL 214.A O no hydrogen 2.970 N/A SER 196.A OG.A ASP 213.A OD1 no hydrogen 3.419 N/A LEU 197.A N VAL 212.A O no hydrogen 2.856 N/A GLY 198.A N ASN 264.A O no hydrogen 2.726 N/A SER 199.A N ASN 264.A O no hydrogen 3.263 N/A VAL 200.A N ILE 207.A O no hydrogen 2.965 N/A GLU 201.A N VAL 262.A O no hydrogen 2.779 N/A VAL 202.A N LYS 205.A O no hydrogen 2.891 N/A SER 203.A OG ALA 236.A O no hydrogen 3.112 N/A LYS 205.A N VAL 202.A O no hydrogen 2.954 N/A ILE 207.A N VAL 200.A O no hydrogen 2.782 N/A THR 209.A N GLY 198.A O no hydrogen 3.006 N/A THR 209.A OG1 LEU 197.A O no hydrogen 2.779 N/A ASP 210.A N ASN 208.A OD1 no hydrogen 2.858 N/A VAL 212.A N THR 209.A O no hydrogen 3.029 N/A VAL 214.A N ILE 195.A O no hydrogen 2.796 N/A LEU 215.A N ASN 293.A O no hydrogen 2.852 N/A LEU 216.A N LEU 193.A O no hydrogen 3.115 N/A ASP 217.A N LEU 295.A O no hydrogen 3.025 N/A SER 218.A N THR 32.A OG1 no hydrogen 2.961 N/A SER 218.A OG VAL 30.A O no hydrogen 2.784 N/A GLY 219.A N ASP 217.A OD1 no hydrogen 2.844 N/A THR 220.A N ASP 217.A O no hydrogen 3.327 N/A THR 220.A OG1 ASP 217.A OD2 no hydrogen 2.606 N/A THR 221.A OG1 VAL 11.A O no hydrogen 2.715 N/A THR 223.A OG1 ASN 298.A OD1 no hydrogen 2.834 N/A TYR 224.A N ILE 294.A O no hydrogen 2.887 N/A LEU 225.A N ASP 288.A O no hydrogen 3.091 N/A GLN 226.A N ASN 293.A OD1 no hydrogen 2.792 N/A GLN 226.A NE2 ASP 228.A OD2 no hydrogen 2.903 N/A GLN 227.A NE2 ASP 231.A OD2 no hydrogen 3.504 N/A LEU 229.A N GLN 226.A O no hydrogen 3.029 N/A ALA 230.A N GLN 226.A O no hydrogen 2.871 N/A ASP 231.A N GLN 227.A O no hydrogen 2.893 N/A GLN 232.A NE2 ASP 228.A O no hydrogen 2.984 N/A ILE 233.A N LEU 229.A O no hydrogen 3.228 N/A ILE 234.A N ALA 230.A O no hydrogen 2.753 N/A LYS 235.A N ASP 231.A O no hydrogen 2.943 N/A ALA 236.A N GLN 232.A O no hydrogen 3.066 N/A PHE 237.A N ILE 233.A O no hydrogen 2.979 N/A ASN 238.A N LYS 235.A O no hydrogen 2.879 N/A GLY 239.A N ILE 234.A O no hydrogen 2.947 N/A LYS 240.A N GLU 252.A O no hydrogen 2.954 N/A THR 242.A N PHE 250.A O no hydrogen 2.810 N/A ASP 244.A N ASN 248.A O no hydrogen 3.123 N/A GLY 247.A N ASP 244.A O no hydrogen 3.006 N/A PHE 250.A N THR 242.A O no hydrogen 2.999 N/A GLU 252.A N LYS 240.A O no hydrogen 2.876 N/A VAL 253.A N CYS 283.A O no hydrogen 2.909 N/A VAL 261.A N VAL 273.A O no hydrogen 2.734 N/A VAL 262.A N GLU 201.A O no hydrogen 2.910 N/A PHE 263.A N ILE 271.A O no hydrogen 2.839 N/A ASN 264.A N SER 199.A O no hydrogen 2.881 N/A ASN 264.A ND2 SER 199.A OG no hydrogen 2.926 N/A ASN 264.A ND2 GLU 201.A OE2 no hydrogen 2.941 N/A PHE 265.A N.A ALA 269.A O no hydrogen 2.827 N/A PHE 265.A N.B ALA 269.A O no hydrogen 2.867 N/A SER 266.A N.B ALA 269.A O no hydrogen 3.288 N/A SER 266.A OG.A PHE 265.A O.B no hydrogen 2.921 N/A ASN 268.A N.B SER 266.A OG.B no hydrogen 3.092 N/A ALA 269.A N SER 266.A O.A no hydrogen 2.976 N/A ALA 269.A N SER 266.A OG.B no hydrogen 2.810 N/A ILE 271.A N PHE 263.A O no hydrogen 2.983 N/A SER 272.A N.A GLN 318.A OE1 no hydrogen 2.821 N/A SER 272.A N.B GLN 318.A OE1 no hydrogen 2.825 N/A SER 272.A OG.A ASP 260.A OD2 no hydrogen 2.601 N/A VAL 273.A N VAL 261.A O no hydrogen 2.799 N/A ALA 275.A N GLY 259.A O no hydrogen 2.847 N/A GLU 277.A N PRO 274.A O no hydrogen 2.978 N/A PHE 278.A N ALA 275.A O no hydrogen 2.852 N/A ALA 279.A N SER 276.A O no hydrogen 3.190 N/A ALA 280.A N GLN 284.A O no hydrogen 3.030 N/A CYS 283.A N VAL 253.A O no hydrogen 2.953 N/A CYS 283.A SG SER 281.A OG no hydrogen 3.687 N/A GLN 284.A N ALA 280.A O no hydrogen 2.811 N/A LEU 285.A N TYR 251.A O no hydrogen 2.904 N/A LEU 286.A N PHE 278.A O no hydrogen 2.727 N/A ASP 288.A N THR 223.A O no hydrogen 2.948 N/A VAL 289.A N ASP 288.A OD1 no hydrogen 2.624 N/A ASN 290.A N LEU 225.A O no hydrogen 2.969 N/A ALA 292.A N ASN 290.A OD1 no hydrogen 2.945 N/A ASN 293.A N ASN 290.A O no hydrogen 3.284 N/A ASN 293.A ND2 GLN 226.A OE1 no hydrogen 2.998 N/A ILE 294.A N TYR 224.A O no hydrogen 2.818 N/A LEU 295.A N LEU 215.A O no hydrogen 2.804 N/A ASP 297.A N THR 220.A O no hydrogen 2.800 N/A ASN 298.A N THR 221.A O no hydrogen 3.266 N/A ASN 298.A ND2 GLU 277.A O no hydrogen 3.044 N/A ASN 298.A ND2 LEU 286.A O no hydrogen 3.132 N/A PHE 299.A N GLY 296.A O no hydrogen 2.949 N/A LEU 300.A N GLY 296.A O no hydrogen 2.920 N/A ARG 301.A N ASP 297.A O no hydrogen 3.040 N/A ARG 301.A NE GLU 277.A OE2 no hydrogen 2.925 N/A ARG 301.A NH1 TYR 13.A OH no hydrogen 3.008 N/A ARG 301.A NH2 GLU 277.A OE1 no hydrogen 2.902 N/A SER 302.A N PHE 299.A O no hydrogen 3.003 N/A ALA 303.A N LEU 300.A O no hydrogen 3.047 N/A TYR 304.A N ALA 317.A O no hydrogen 2.836 N/A ILE 305.A N.A LEU 156.A O no hydrogen 3.456 N/A ILE 305.A N.B LEU 156.A O no hydrogen 3.481 N/A VAL 306.A N SER 315.A O no hydrogen 2.926 N/A TYR 307.A N TYR 154.A O no hydrogen 2.788 N/A TYR 307.A OH LEU 216.A O no hydrogen 2.834 N/A ASP 308.A N GLU 313.A O no hydrogen 2.767 N/A LEU 309.A N ASN 152.A O no hydrogen 2.918 N/A ASP 310.A N ASN 152.A O no hydrogen 3.247 N/A ASP 311.A N ASP 308.A OD1 no hydrogen 2.956 N/A GLU 313.A N ASP 308.A O no hydrogen 3.021 N/A ILE 314.A N LEU 185.A O no hydrogen 2.901 N/A SER 315.A N VAL 306.A O no hydrogen 2.855 N/A LEU 316.A N ILE 183.A O no hydrogen 3.036 N/A ALA 317.A N TYR 304.A O no hydrogen 3.093 N/A GLN 318.A NE2 SER 272.A O.A no hydrogen 2.929 N/A GLN 318.A NE2 SER 272.A O.B no hydrogen 2.932 N/A VAL 319.A N SER 302.A O no hydrogen 3.056 N/A LYS 320.A N LYS 177.A O no hydrogen 2.934 N/A LYS 320.A NZ ALA 176.A O no hydrogen 2.668 N/A TYR 321.A OH ARG 301.A O no hydrogen 2.668 N/A THR 322.A N TYR 157.A OH no hydrogen 3.258 N/A ALA 324.A N THR 322.A OG1 no hydrogen 3.002 N/A SER 325.A OG.A ASP 174.A OD2 no hydrogen 2.871 N/A SER 325.A OG.B ASP 174.A OD2 no hydrogen 3.313 N/A SER 326.A N ASP 174.A OD1 no hydrogen 2.854 N/A SER 328.A N VAL 173.A O no hydrogen 2.905 N/A LEU 330.A N GLY 171.A O no hydrogen 2.808 N/A