Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u9e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ ILE 118.A O no hydrogen 3.003 N/A LYS 2.A NZ TYR 121.A O no hydrogen 3.022 N/A SER 3.A N HIS 122.A O no hydrogen 3.419 N/A PHE 5.A N ASP 117.A OD1 no hydrogen 2.731 N/A PHE 6.A N ASP 117.A OD2 no hydrogen 2.889 N/A SER 7.A OG ARG 4.A O no hydrogen 3.056 N/A THR 10.A OG1 LYS 36.A O no hydrogen 3.055 N/A SER 11.A N LYS 36.A O no hydrogen 3.231 N/A SER 11.A OG LEU 37.A O no hydrogen 2.872 N/A PHE 13.A N SER 11.A OG no hydrogen 2.942 N/A VAL 14.A N ASP 82.A OD2 no hydrogen 2.839 N/A PHE 15.A N LYS 39.A O no hydrogen 2.785 N/A ALA 16.A N ILE 83.A O no hydrogen 2.830 N/A VAL 17.A N LEU 41.A O no hydrogen 2.760 N/A ALA 18.A N VAL 85.A O no hydrogen 2.879 N/A GLY 19.A N PHE 43.A O no hydrogen 2.842 N/A ALA 20.A N PHE 43.A O no hydrogen 2.786 N/A ASP 21.A N GLY 19.A O no hydrogen 2.895 N/A VAL 24.A N ASP 22.A OD1 no hydrogen 3.035 N/A VAL 25.A N ASP 22.A O no hydrogen 2.854 N/A LEU 26.A N ASP 22.A O no hydrogen 3.048 N/A GLU 27.A N GLU 23.A O no hydrogen 2.893 N/A ARG 30.A N LEU 26.A O no hydrogen 2.973 N/A ARG 30.A NE GLU 23.A OE1 no hydrogen 2.856 N/A ARG 30.A NH2 GLU 23.A OE1 no hydrogen 3.426 N/A ARG 30.A NH2 GLU 23.A OE2 no hydrogen 3.175 N/A ARG 30.A NH2 ASP 48.A OD1 no hydrogen 2.925 N/A LEU 31.A N GLU 27.A O no hydrogen 3.239 N/A ALA 32.A N THR 28.A O no hydrogen 3.073 N/A LEU 33.A N ILE 29.A O no hydrogen 2.988 N/A LYS 34.A N ARG 30.A O no hydrogen 3.056 N/A GLN 35.A N ALA 32.A O no hydrogen 3.258 N/A GLN 35.A NE2 GLU 9.A O no hydrogen 3.224 N/A LYS 36.A N LEU 33.A O no hydrogen 2.936 N/A LEU 37.A N ALA 32.A O no hydrogen 2.782 N/A LYS 39.A N PHE 13.A O no hydrogen 2.646 N/A PHE 40.A N SER 56.A O no hydrogen 2.935 N/A LEU 41.A N PHE 15.A O no hydrogen 2.762 N/A LEU 42.A N THR 58.A O no hydrogen 2.789 N/A PHE 43.A N VAL 17.A O no hydrogen 3.093 N/A GLY 44.A N ILE 60.A O no hydrogen 3.231 N/A LYS 45.A N ASP 21.A OD2 no hydrogen 2.795 N/A LYS 45.A NZ ASP 63.A O no hydrogen 3.000 N/A LYS 46.A N ASP 21.A OD1 no hydrogen 2.992 N/A LYS 49.A NZ GLU 47.A OE1 no hydrogen 2.730 N/A THR 50.A OG1 ASP 48.A OD2 no hydrogen 3.027 N/A LEU 51.A N ASP 48.A O no hydrogen 2.944 N/A THR 52.A N ASP 48.A O no hydrogen 2.794 N/A THR 52.A OG1 GLU 47.A OE2 no hydrogen 2.776 N/A THR 52.A OG1 ASP 48.A O no hydrogen 3.152 N/A THR 52.A OG1 LYS 49.A O no hydrogen 3.134 N/A ASN 54.A N LEU 51.A O no hydrogen 3.096 N/A SER 56.A N ASN 54.A OD1 no hydrogen 3.020 N/A VAL 57.A N ASN 54.A O no hydrogen 2.979 N/A THR 58.A N PHE 40.A O no hydrogen 2.916 N/A TRP 59.A NE1 GLN 61.A OE1 no hydrogen 3.034 N/A ILE 60.A N LEU 42.A O no hydrogen 2.817 N/A GLN 61.A NE2 LYS 45.A O no hydrogen 2.596 N/A GLN 61.A NE2 ASP 63.A OD1 no hydrogen 2.757 N/A THR 62.A N GLY 44.A O no hydrogen 2.808 N/A THR 62.A OG1 ILE 60.A O no hydrogen 3.434 N/A ALA 67.A N THR 64.A OG1 no hydrogen 3.005 N/A ALA 68.A N THR 64.A O no hydrogen 3.100 N/A ALA 69.A N ALA 65.A O no hydrogen 3.028 N/A GLN 70.A N GLU 66.A O no hydrogen 2.864 N/A GLY 71.A N ALA 67.A O no hydrogen 2.872 N/A ALA 72.A N ALA 68.A O no hydrogen 2.956 N/A ILE 73.A N ALA 69.A O no hydrogen 2.940 N/A LEU 74.A N GLN 70.A O no hydrogen 2.961 N/A ALA 75.A N GLY 71.A O no hydrogen 3.002 N/A VAL 76.A N ALA 72.A O no hydrogen 3.062 N/A LYS 77.A N ILE 73.A O no hydrogen 2.788 N/A LYS 77.A NZ GLU 101.A O no hydrogen 3.551 N/A ASN 78.A N LEU 74.A O no hydrogen 2.692 N/A ASN 78.A ND2 GLU 80.A OE1 no hydrogen 2.939 N/A LYS 79.A N VAL 76.A O no hydrogen 3.019 N/A GLU 80.A N ALA 75.A O no hydrogen 2.842 N/A ASP 82.A N VAL 14.A O no hydrogen 2.768 N/A ILE 83.A N VAL 14.A O no hydrogen 3.084 N/A LEU 84.A N PRO 256.A O no hydrogen 3.105 N/A VAL 85.A N ALA 16.A O no hydrogen 2.872 N/A LYS 86.A N VAL 258.A O no hydrogen 2.830 N/A LYS 86.A NZ THR 91.A OG1 no hydrogen 3.309 N/A LYS 86.A NZ SER 260.A O no hydrogen 3.538 N/A GLY 87.A N ALA 18.A O no hydrogen 2.730 N/A PHE 88.A N GLY 19.A O no hydrogen 2.877 N/A THR 93.A N PRO 90.A O no hydrogen 3.072 N/A HIS 96.A N LEU 94.A O no hydrogen 2.910 N/A HIS 96.A NE2 GLU 66.A OE2 no hydrogen 2.232 N/A VAL 97.A N LEU 94.A O no hydrogen 2.929 N/A LYS 99.A N HIS 96.A O no hydrogen 3.267 N/A ASN 102.A N LYS 99.A O no hydrogen 2.868 N/A ASN 102.A ND2 HIS 96.A O no hydrogen 2.958 N/A GLY 103.A N LYS 100.A O no hydrogen 2.909 N/A ARG 105.A NH1 LEU 98.A O no hydrogen 2.979 N/A THR 106.A OG1 ASP 107.A OD2 no hydrogen 2.831 N/A ASP 107.A N THR 106.A OG1 no hydrogen 2.514 N/A GLN 108.A NE2 ALA 142.A O no hydrogen 3.502 N/A GLN 108.A NE2 GLU 145.A OE2 no hydrogen 3.309 N/A GLN 108.A NE2 ASN 146.A OD1 no hydrogen 2.842 N/A SER 111.A N VAL 251.A O no hydrogen 3.111 N/A GLN 112.A N ASP 129.A OD1 no hydrogen 2.949 N/A GLN 112.A NE2 SER 248.A OG no hydrogen 2.761 N/A ILE 113.A N ALA 249.A O no hydrogen 2.841 N/A ALA 114.A N ILE 127.A O no hydrogen 3.049 N/A ILE 115.A N GLY 247.A O no hydrogen 2.870 N/A PHE 116.A N LEU 125.A O no hydrogen 2.841 N/A ASP 117.A N LYS 245.A O no hydrogen 2.861 N/A TYR 121.A N ILE 118.A O no hydrogen 2.743 N/A TYR 121.A OH ALA 220.A O no hydrogen 2.855 N/A HIS 122.A NE2 GLU 219.A OE1 no hydrogen 2.413 N/A LYS 123.A NZ GLU 219.A O no hydrogen 2.636 N/A LYS 123.A NZ GLU 219.A OE1 no hydrogen 3.469 N/A LYS 123.A NZ ASP 221.A OD1 no hydrogen 2.660 N/A LEU 125.A N PHE 116.A O no hydrogen 3.059 N/A LEU 126.A N ASP 221.A O no hydrogen 2.793 N/A ILE 127.A N ALA 114.A O no hydrogen 2.915 N/A THR 128.A N LEU 223.A O no hydrogen 3.141 N/A THR 128.A OG1 GLN 112.A O no hydrogen 2.589 N/A CYS 130.A N GLN 112.A OE1 no hydrogen 2.730 N/A CYS 130.A SG ILE 127.A O no hydrogen 3.676 N/A CYS 130.A SG GLY 231.A O no hydrogen 3.357 N/A ALA 131.A N ASP 129.A OD2 no hydrogen 2.970 N/A ASN 132.A ND2 LEU 110.A O no hydrogen 3.076 N/A ASN 132.A ND2 ASP 129.A OD1 no hydrogen 2.667 N/A LYS 136.A N GLU 139.A OE1 no hydrogen 2.895 N/A THR 137.A OG1 GLU 181.A OE1 no hydrogen 2.683 N/A GLU 139.A N GLU 139.A OE1 no hydrogen 2.824 N/A LYS 140.A N LYS 136.A O no hydrogen 2.843 N/A LYS 140.A NZ GLU 178.A OE1 no hydrogen 2.686 N/A LYS 140.A NZ PRO 226.A O no hydrogen 3.090 N/A ILE 141.A N THR 137.A O no hydrogen 2.873 N/A ALA 142.A N LYS 138.A O no hydrogen 3.307 N/A ILE 143.A N GLU 139.A O no hydrogen 2.691 N/A THR 144.A N LYS 140.A O no hydrogen 3.008 N/A THR 144.A OG1 LYS 140.A O no hydrogen 2.737 N/A GLU 145.A N ILE 141.A O no hydrogen 2.929 N/A ASN 146.A N ALA 142.A O no hydrogen 2.985 N/A ASN 146.A ND2 LEU 109.A O no hydrogen 2.946 N/A ASN 146.A ND2 SER 111.A OG no hydrogen 2.689 N/A ALA 147.A N ILE 143.A O no hydrogen 3.087 N/A LEU 148.A N THR 144.A O no hydrogen 2.826 N/A ALA 149.A N GLU 145.A O no hydrogen 2.940 N/A VAL 150.A N ASN 146.A O no hydrogen 2.942 N/A ALA 151.A N ALA 147.A O no hydrogen 2.778 N/A HIS 152.A N LEU 148.A O no hydrogen 2.906 N/A GLN 153.A N ALA 149.A O no hydrogen 2.907 N/A ILE 154.A N VAL 150.A O no hydrogen 3.062 N/A ILE 154.A N ALA 151.A O no hydrogen 3.228 N/A GLY 155.A N HIS 152.A O no hydrogen 3.040 N/A ILE 156.A N ALA 151.A O no hydrogen 2.922 N/A LYS 160.A N ASP 221.A OD2 no hydrogen 2.703 N/A LYS 160.A NZ ASN 158.A O no hydrogen 3.285 N/A ILE 161.A N SER 191.A O no hydrogen 2.749 N/A ALA 162.A N ILE 222.A O no hydrogen 2.918 N/A LEU 163.A N SER 193.A O no hydrogen 2.873 N/A LEU 164.A N ILE 224.A O no hydrogen 2.992 N/A SER 165.A N LEU 196.A O no hydrogen 2.869 N/A SER 165.A OG SER 175.A OG no hydrogen 2.986 N/A ALA 166.A N SER 165.A OG no hydrogen 2.601 N/A THR 171.A N THR 176.A OG1 no hydrogen 2.856 N/A LYS 173.A N THR 171.A OG1 no hydrogen 2.994 N/A SER 175.A OG SER 165.A OG no hydrogen 2.986 N/A GLU 178.A N PRO 174.A O no hydrogen 3.109 N/A ALA 179.A N SER 175.A O no hydrogen 3.140 N/A GLN 180.A N THR 176.A O no hydrogen 3.067 N/A GLU 181.A N LEU 177.A O no hydrogen 2.850 N/A VAL 182.A N GLU 178.A O no hydrogen 2.951 N/A VAL 183.A N ALA 179.A O no hydrogen 2.975 N/A GLN 184.A N GLN 180.A O no hydrogen 2.914 N/A HIS 185.A N GLU 181.A O no hydrogen 2.877 N/A PHE 186.A N VAL 182.A O no hydrogen 3.376 N/A GLN 189.A N PHE 186.A O no hydrogen 2.701 N/A SER 191.A OG.A ASN 158.A OD1 no hydrogen 3.529 N/A SER 191.A OG.B SER 216.A OG no hydrogen 3.221 N/A SER 193.A N ILE 161.A O no hydrogen 2.932 N/A LEU 196.A N LEU 163.A O no hydrogen 2.889 N/A ALA 197.A N GLU 168.A OE2 no hydrogen 2.730 N/A ALA 201.A N ALA 197.A O no hydrogen 3.174 N/A ILE 202.A N LEU 198.A O no hydrogen 3.021 N/A ALA 206.A N SER 203.A OG no hydrogen 3.039 N/A ALA 207.A N SER 203.A O no hydrogen 2.842 N/A LEU 208.A N LYS 204.A O no hydrogen 2.810 N/A HIS 209.A N GLU 205.A O no hydrogen 2.971 N/A LYS 210.A N ALA 206.A O no hydrogen 3.206 N/A LYS 210.A N ALA 207.A O no hydrogen 3.008 N/A LYS 210.A NZ GLU 168.A OE1 no hydrogen 3.152 N/A LYS 210.A NZ GLU 168.A OE2 no hydrogen 3.561 N/A LYS 210.A NZ ASP 199.A OD2 no hydrogen 3.279 N/A GLY 211.A N LEU 208.A O no hydrogen 2.912 N/A ILE 212.A N ALA 207.A O no hydrogen 2.910 N/A SER 216.A OG ILE 161.A O no hydrogen 3.092 N/A SER 216.A OG SER 191.A O no hydrogen 3.405 N/A SER 216.A OG SER 191.A OG.B no hydrogen 3.221 N/A ALA 217.A N ASP 214.A O no hydrogen 3.063 N/A GLY 218.A N ALA 201.A O no hydrogen 2.744 N/A ALA 220.A N ALA 201.A O no hydrogen 3.377 N/A ASP 221.A N LYS 160.A O no hydrogen 2.698 N/A ILE 222.A N LYS 160.A O no hydrogen 3.123 N/A LEU 223.A N LEU 126.A O no hydrogen 2.829 N/A ILE 224.A N ALA 162.A O no hydrogen 2.908 N/A ALA 225.A N THR 128.A O no hydrogen 2.588 N/A ILE 228.A N VAL 133.A O no hydrogen 3.093 N/A GLU 229.A N GLU 229.A OE1 no hydrogen 2.840 N/A THR 230.A N ASN 227.A OD1 no hydrogen 2.893 N/A THR 230.A OG1 ASN 227.A OD1 no hydrogen 2.794 N/A GLY 231.A N ASN 227.A O no hydrogen 3.187 N/A ASN 232.A N ILE 228.A O no hydrogen 2.802 N/A ASN 232.A ND2 CYS 130.A O no hydrogen 2.965 N/A ALA 233.A N GLU 229.A O no hydrogen 2.984 N/A LEU 234.A N THR 230.A O no hydrogen 2.902 N/A TYR 235.A N GLY 231.A O no hydrogen 2.974 N/A LYS 236.A N ASN 232.A O no hydrogen 2.919 N/A LYS 236.A NZ ASN 232.A OD1 no hydrogen 2.880 N/A SER 237.A N ALA 233.A O no hydrogen 2.885 N/A LEU 238.A N LEU 234.A O no hydrogen 2.989 N/A VAL 239.A N TYR 235.A O no hydrogen 3.176 N/A TYR 240.A N LYS 236.A O no hydrogen 2.804 N/A PHE 241.A N SER 237.A O no hydrogen 2.859 N/A ALA 242.A N LEU 238.A O no hydrogen 3.253 N/A ALA 244.A N LEU 238.A O no hydrogen 2.990 N/A LYS 245.A N ASP 117.A O no hydrogen 3.180 N/A VAL 246.A N ASN 268.A OD1 no hydrogen 3.113 N/A GLY 247.A N ILE 115.A O no hydrogen 3.043 N/A SER 248.A N SER 272.A OG no hydrogen 2.884 N/A SER 248.A OG ILE 113.A O no hydrogen 3.521 N/A ALA 249.A N ILE 113.A O no hydrogen 2.871 N/A VAL 250.A N ILE 257.A O no hydrogen 2.821 N/A VAL 251.A N SER 111.A O no hydrogen 2.964 N/A LYS 254.A N LEU 104.A O no hydrogen 2.923 N/A LYS 254.A NZ GLY 103.A O no hydrogen 3.388 N/A ILE 257.A N VAL 250.A O no hydrogen 3.057 N/A VAL 258.A N LEU 84.A O no hydrogen 2.728 N/A SER 261.A N ASP 264.A OD2 no hydrogen 2.837 N/A ASP 264.A N SER 261.A O no hydrogen 3.144 N/A ASN 268.A N SER 265.A OG no hydrogen 3.179 N/A LYS 269.A N SER 265.A O no hydrogen 2.742 N/A LYS 269.A NZ VAL 24.A O no hydrogen 2.597 N/A LYS 269.A NZ GLU 27.A OE2 no hydrogen 2.664 N/A LEU 270.A N PRO 266.A O no hydrogen 2.797 N/A ALA 271.A N GLU 267.A O no hydrogen 2.904 N/A SER 272.A N ASN 268.A O no hydrogen 3.067 N/A SER 272.A OG SER 248.A O no hydrogen 3.416 N/A SER 272.A OG ASN 268.A O no hydrogen 3.075 N/A PHE 273.A N LYS 269.A O no hydrogen 3.326 N/A ILE 274.A N LEU 270.A O no hydrogen 2.916 N/A LEU 275.A N ALA 271.A O no hydrogen 2.972 N/A THR 276.A N SER 272.A O no hydrogen 2.994 N/A THR 276.A OG1 SER 272.A O no hydrogen 3.527 N/A THR 276.A OG1 PHE 273.A O no hydrogen 2.612 N/A VAL 277.A N PHE 273.A O no hydrogen 2.914 N/A ARG 278.A N ILE 274.A O no hydrogen 3.035 N/A ARG 278.A NH1 PHE 5.A O no hydrogen 2.639 N/A LEU 279.A N LEU 275.A O no hydrogen 3.048 N/A LEU 279.A N THR 276.A O no hydrogen 3.068 N/A VAL 280.A N THR 276.A O no hydrogen 3.200 N/A VAL 280.A N VAL 277.A O no hydrogen 3.120 N/A