Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k9e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ ASP 75.A OD2 no hydrogen 2.546 N/A VAL 3.A N PRO 49.A O no hydrogen 2.993 N/A PHE 4.A N HIS 126.A O no hydrogen 2.993 N/A THR 5.A N GLY 51.A O no hydrogen 3.206 N/A THR 5.A OG1 HIS 128.A O no hydrogen 2.945 N/A ILE 6.A N THR 5.A OG1 no hydrogen 2.786 N/A GLY 7.A N ILE 53.A O no hydrogen 3.012 N/A GLU 8.A N GLU 8.A OE1 no hydrogen 2.678 N/A LEU 10.A N SER 33.A O no hydrogen 3.081 N/A VAL 11.A N GLY 88.A O no hydrogen 3.100 N/A GLU 12.A N TYR 31.A O no hydrogen 2.778 N/A ILE 13.A N ALA 90.A O no hydrogen 2.817 N/A SER 15.A N ILE 26.A O no hydrogen 3.210 N/A SER 15.A OG ILE 26.A O no hydrogen 2.584 N/A LYS 16.A N GLN 19.A OE1 no hydrogen 2.960 N/A GLY 18.A N TYR 94.A O no hydrogen 2.975 N/A GLN 19.A N LYS 16.A O no hydrogen 3.166 N/A GLN 19.A NE2 ILE 26.A O no hydrogen 3.028 N/A TYR 31.A N GLU 12.A O no hydrogen 2.942 N/A SER 33.A N LEU 10.A O no hydrogen 2.672 N/A SER 33.A N ASN 65.A OD1 no hydrogen 3.299 N/A GLY 34.A N SER 33.A OG no hydrogen 2.687 N/A ILE 38.A N GLY 34.A O no hydrogen 2.923 N/A PHE 39.A N ALA 35.A O no hydrogen 2.910 N/A ILE 40.A N PRO 36.A O no hydrogen 2.825 N/A ASP 41.A N ALA 37.A O no hydrogen 2.894 N/A GLN 42.A N ILE 38.A O no hydrogen 3.125 N/A VAL 43.A N PHE 39.A O no hydrogen 3.150 N/A THR 44.A N ILE 40.A O no hydrogen 3.004 N/A THR 44.A OG1 ASP 72.A O no hydrogen 2.863 N/A ARG 45.A N ASP 41.A O no hydrogen 2.987 N/A ARG 45.A NH1 THR 287.A OG1 no hydrogen 2.890 N/A LEU 46.A N VAL 43.A O no hydrogen 3.170 N/A GLY 47.A N THR 44.A O no hydrogen 2.853 N/A VAL 48.A N VAL 43.A O no hydrogen 3.435 N/A CYS 50.A SG ILE 40.A O no hydrogen 3.786 N/A CYS 50.A SG VAL 48.A O no hydrogen 3.514 N/A GLY 51.A N VAL 3.A O no hydrogen 2.773 N/A ILE 53.A N THR 5.A O no hydrogen 3.125 N/A SER 54.A N GLY 78.A O no hydrogen 3.304 N/A SER 54.A OG GLY 7.A O no hydrogen 2.840 N/A VAL 56.A N SER 80.A O no hydrogen 2.983 N/A GLY 57.A N THR 87.A OG1 no hydrogen 2.752 N/A GLY 62.A N ASP 59.A OD1 no hydrogen 2.826 N/A ASP 63.A N ASP 59.A O no hydrogen 2.911 N/A ILE 64.A N GLY 60.A O no hydrogen 2.875 N/A ASN 65.A ND2 LEU 10.A O no hydrogen 3.319 N/A ASN 65.A ND2 PHE 61.A O no hydrogen 2.926 N/A ILE 66.A N GLY 62.A O no hydrogen 3.164 N/A HIS 67.A N ASP 63.A O no hydrogen 2.880 N/A ARG 68.A N ILE 64.A O no hydrogen 3.075 N/A ARG 68.A NH1 ASP 72.A OD2 no hydrogen 2.391 N/A LEU 69.A N ASN 65.A O no hydrogen 3.050 N/A ALA 70.A N ILE 66.A O no hydrogen 2.887 N/A ALA 71.A N HIS 67.A O no hydrogen 2.847 N/A ASP 72.A N ARG 68.A O no hydrogen 3.042 N/A ASP 72.A N LEU 69.A O no hydrogen 3.090 N/A GLY 73.A N ALA 70.A O no hydrogen 2.920 N/A VAL 74.A N LEU 69.A O no hydrogen 2.960 N/A ASP 75.A N CYS 50.A O no hydrogen 2.771 N/A ARG 77.A N ASP 75.A OD1 no hydrogen 3.246 N/A ARG 77.A NE ASP 75.A OD1 no hydrogen 2.930 N/A ARG 77.A NE ASP 75.A OD2 no hydrogen 2.980 N/A ARG 77.A NH2 ASP 75.A OD2 no hydrogen 2.611 N/A ILE 79.A N ILE 76.A O no hydrogen 2.972 N/A SER 80.A N SER 54.A O no hydrogen 2.821 N/A LEU 82.A N VAL 56.A O no hydrogen 2.751 N/A GLU 85.A N LEU 82.A O no hydrogen 3.155 N/A THR 87.A N ASP 59.A OD2 no hydrogen 3.182 N/A THR 87.A OG1 ASP 59.A OD1 no hydrogen 2.683 N/A THR 87.A OG1 ASP 59.A OD2 no hydrogen 3.423 N/A SER 89.A N ASN 102.A O no hydrogen 2.955 N/A ALA 90.A N VAL 11.A O no hydrogen 2.978 N/A PHE 91.A N ILE 100.A O no hydrogen 2.951 N/A VAL 92.A N ILE 13.A O no hydrogen 2.963 N/A THR 93.A N ASP 98.A O no hydrogen 2.974 N/A THR 93.A OG1 GLN 19.A O no hydrogen 2.557 N/A ASP 98.A N THR 93.A O no hydrogen 3.050 N/A ILE 100.A N PHE 91.A O no hydrogen 2.936 N/A ASN 102.A N SER 89.A O no hydrogen 2.912 N/A ALA 106.A N ILE 103.A O no hydrogen 3.053 N/A ALA 107.A N ALA 86.A O no hydrogen 2.789 N/A CYS 108.A SG ILE 9.A O no hydrogen 3.783 N/A CYS 108.A SG ILE 103.A O no hydrogen 3.728 N/A GLY 109.A N ALA 106.A O no hydrogen 2.686 N/A LYS 110.A N ALA 107.A O no hydrogen 2.777 N/A SER 112.A N HIS 115.A ND1 no hydrogen 3.194 N/A GLN 114.A N SER 112.A OG no hydrogen 3.324 N/A HIS 115.A N SER 112.A O no hydrogen 2.775 N/A VAL 116.A N ALA 113.A O no hydrogen 3.084 N/A ASN 119.A N ASP 117.A OD1 no hydrogen 2.702 N/A ILE 120.A N ASP 117.A O no hydrogen 2.695 N/A LEU 121.A N GLU 118.A O no hydrogen 3.222 N/A LYS 122.A N ASN 119.A O no hydrogen 3.261 N/A CYS 124.A N LEU 121.A O no hydrogen 3.014 N/A CYS 124.A SG LYS 2.A O no hydrogen 3.733 N/A CYS 124.A SG HIS 126.A O no hydrogen 3.142 N/A THR 125.A N LYS 2.A O no hydrogen 3.025 N/A THR 125.A OG1 LYS 2.A O no hydrogen 3.484 N/A HIS 126.A NE2 SER 156.A OG no hydrogen 2.800 N/A PHE 127.A N VAL 154.A O no hydrogen 2.859 N/A HIS 128.A N PHE 4.A O no hydrogen 2.871 N/A ILE 129.A N SER 156.A O no hydrogen 2.942 N/A GLY 130.A N ASN 160.A OD1 no hydrogen 2.916 N/A SER 131.A N ASN 160.A OD1 no hydrogen 2.707 N/A SER 131.A OG GLU 8.A OE2 no hydrogen 2.908 N/A SER 131.A OG ASN 160.A OD1 no hydrogen 3.246 N/A SER 132.A OG GLU 8.A OE1 no hydrogen 2.574 N/A LEU 133.A N GLY 130.A O no hydrogen 3.055 N/A PHE 134.A N SER 132.A O no hydrogen 3.113 N/A ASP 139.A N PHE 136.A O no hydrogen 2.887 N/A ALA 140.A N HIS 137.A O no hydrogen 3.057 N/A LYS 142.A N VAL 138.A O no hydrogen 2.854 N/A LYS 143.A N ASP 139.A O no hydrogen 3.111 N/A LYS 143.A NZ ALA 113.A O no hydrogen 2.907 N/A LYS 143.A NZ VAL 116.A O no hydrogen 2.738 N/A ALA 144.A N ALA 140.A O no hydrogen 3.027 N/A VAL 145.A N VAL 141.A O no hydrogen 2.857 N/A THR 146.A N LYS 142.A O no hydrogen 3.110 N/A THR 146.A OG1 LYS 142.A O no hydrogen 2.660 N/A THR 146.A OG1 LYS 143.A O no hydrogen 2.960 N/A ILE 147.A N LYS 143.A O no hydrogen 3.094 N/A VAL 148.A N ALA 144.A O no hydrogen 3.095 N/A LYS 149.A N VAL 145.A O no hydrogen 2.749 N/A LYS 149.A NZ LEU 179.A O no hydrogen 3.067 N/A LYS 149.A NZ ASP 181.A OD1 no hydrogen 3.018 N/A LYS 149.A NZ ASP 181.A OD2 no hydrogen 2.978 N/A ALA 150.A N THR 146.A O no hydrogen 2.783 N/A ASN 151.A N ILE 147.A O no hydrogen 2.996 N/A ASN 151.A N VAL 148.A O no hydrogen 3.053 N/A ASN 151.A ND2 LYS 122.A O no hydrogen 3.360 N/A GLY 152.A N LYS 149.A O no hydrogen 3.013 N/A GLY 153.A N VAL 148.A O no hydrogen 2.803 N/A VAL 154.A N THR 125.A O no hydrogen 2.830 N/A ILE 155.A N ASP 181.A OD2 no hydrogen 2.841 N/A SER 156.A N PHE 127.A O no hydrogen 3.006 N/A SER 156.A OG HIS 126.A NE2 no hydrogen 2.800 N/A PHE 157.A N ILE 182.A O no hydrogen 2.814 N/A ASP 158.A N ILE 129.A O no hydrogen 2.982 N/A ASN 160.A N ASP 158.A O no hydrogen 2.832 N/A ASN 160.A ND2 SER 131.A OG no hydrogen 3.022 N/A ILE 161.A N PRO 159.A O no hydrogen 2.756 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.494 N/A ASP 166.A N GLU 164.A O no hydrogen 2.769 N/A ASP 171.A N PRO 168.A O no hydrogen 2.708 N/A ALA 172.A N GLU 169.A O no hydrogen 3.045 N/A HIS 174.A N ARG 170.A O no hydrogen 3.291 N/A PHE 175.A N ASP 171.A O no hydrogen 3.006 N/A VAL 176.A N ALA 172.A O no hydrogen 3.225 N/A LEU 177.A N LEU 173.A O no hydrogen 3.119 N/A GLU 178.A N HIS 174.A O no hydrogen 2.837 N/A LEU 179.A N VAL 176.A O no hydrogen 2.937 N/A THR 180.A N LEU 177.A O no hydrogen 3.128 N/A THR 180.A OG1 VAL 176.A O no hydrogen 2.632 N/A ASP 181.A N ILE 155.A O no hydrogen 2.834 N/A ILE 182.A N ILE 155.A O no hydrogen 2.969 N/A TYR 183.A N GLU 212.A O no hydrogen 2.893 N/A SER 185.A N GLU 188.A OE1 no hydrogen 2.955 N/A GLU 186.A N LYS 216.A O no hydrogen 2.721 N/A GLU 188.A N SER 185.A O no hydrogen 2.816 N/A LEU 191.A N GLU 188.A O no hydrogen 3.284 N/A SER 193.A N LEU 190.A O no hydrogen 3.193 N/A HIS 195.A N SER 193.A OG no hydrogen 3.142 N/A HIS 195.A ND1 ARG 200.A O no hydrogen 2.873 N/A ALA 201.A N THR 197.A O no hydrogen 2.752 N/A ILE 202.A N PRO 198.A O no hydrogen 2.832 N/A ALA 203.A N GLU 199.A O no hydrogen 3.084 N/A GLY 204.A N ARG 200.A O no hydrogen 2.916 N/A PHE 205.A N ALA 201.A O no hydrogen 2.933 N/A LEU 206.A N ILE 202.A O no hydrogen 3.162 N/A GLU 207.A N ALA 203.A O no hydrogen 3.103 N/A GLU 208.A N GLY 204.A O no hydrogen 2.888 N/A GLY 209.A N LEU 206.A O no hydrogen 3.357 N/A VAL 210.A N PHE 205.A O no hydrogen 3.018 N/A LYS 211.A N ASP 181.A O no hydrogen 2.878 N/A LYS 211.A NZ ASP 181.A OD1 no hydrogen 3.530 N/A GLU 212.A N ASP 181.A O no hydrogen 3.098 N/A VAL 213.A N TYR 225.A O no hydrogen 2.800 N/A ILE 214.A N TYR 183.A O no hydrogen 2.874 N/A VAL 215.A N SER 223.A O no hydrogen 2.882 N/A LYS 216.A N PRO 184.A O no hydrogen 3.114 N/A LYS 216.A NZ ASP 158.A OD1 no hydrogen 3.238 N/A LYS 216.A NZ ASP 158.A OD2 no hydrogen 2.694 N/A ARG 217.A N GLY 221.A O no hydrogen 2.854 N/A ARG 217.A NE SER 223.A OG no hydrogen 2.686 N/A ARG 217.A NH2 SER 223.A OG no hydrogen 3.383 N/A GLN 220.A N ARG 217.A O no hydrogen 2.724 N/A GLN 220.A NE2 ASN 219.A OD1 no hydrogen 3.354 N/A ALA 222.A N VAL 233.A O no hydrogen 3.146 N/A SER 223.A N VAL 215.A O no hydrogen 2.973 N/A SER 223.A OG HIS 232.A ND1 no hydrogen 2.861 N/A TYR 224.A N PHE 231.A O no hydrogen 2.864 N/A TYR 224.A OH GLU 212.A OE2 no hydrogen 2.465 N/A TYR 225.A N VAL 213.A O no hydrogen 2.772 N/A SER 226.A N GLU 229.A O no hydrogen 2.863 N/A SER 226.A OG GLU 229.A O no hydrogen 3.453 N/A GLU 229.A N SER 226.A OG no hydrogen 2.949 N/A GLN 230.A NE2 HIS 232.A NE2 no hydrogen 3.324 N/A PHE 231.A N TYR 224.A O no hydrogen 3.142 N/A HIS 232.A ND1 SER 223.A OG no hydrogen 2.861 N/A VAL 233.A N ALA 222.A O no hydrogen 2.961 N/A SER 235.A OG ASN 219.A O no hydrogen 2.549 N/A VAL 241.A N VAL 279.A O no hydrogen 2.732 N/A ASP 242.A N VAL 279.A O no hydrogen 2.967 N/A THR 244.A N ASP 242.A OD1 no hydrogen 3.207 N/A THR 244.A OG1 ASP 242.A OD1 no hydrogen 3.030 N/A THR 244.A OG1 ASP 242.A OD2 no hydrogen 2.966 N/A ALA 246.A N PRO 243.A O no hydrogen 3.204 N/A CYS 249.A N GLY 245.A O no hydrogen 2.920 N/A CYS 249.A SG GLY 245.A O no hydrogen 3.514 N/A PHE 250.A N ALA 246.A O no hydrogen 2.952 N/A GLY 251.A N GLY 247.A O no hydrogen 3.228 N/A GLY 252.A N ASP 248.A O no hydrogen 2.910 N/A ALA 253.A N CYS 249.A O no hydrogen 2.817 N/A TRP 254.A N PHE 250.A O no hydrogen 2.874 N/A ILE 255.A N GLY 251.A O no hydrogen 2.963 N/A ALA 256.A N GLY 252.A O no hydrogen 2.946 N/A CYS 257.A N ALA 253.A O no hydrogen 2.777 N/A CYS 257.A SG ALA 253.A O no hydrogen 3.217 N/A ARG 258.A N TRP 254.A O no hydrogen 3.038 N/A ARG 258.A NH1 PHE 262.A O no hydrogen 3.146 N/A GLN 259.A N ILE 255.A O no hydrogen 3.056 N/A LEU 260.A N ALA 256.A O no hydrogen 2.929 N/A LEU 260.A N CYS 257.A O no hydrogen 3.033 N/A GLY 261.A N ARG 258.A O no hydrogen 3.136 N/A PHE 262.A N CYS 257.A O no hydrogen 3.058 N/A HIS 265.A NE2 GLU 229.A OE1 no hydrogen 2.908 N/A ARG 266.A N ASP 263.A OD1 no hydrogen 2.641 N/A ARG 266.A NH2 TYR 270.A OH no hydrogen 3.047 N/A ALA 267.A N ASP 263.A O no hydrogen 2.976 N/A LEU 268.A N ALA 264.A O no hydrogen 2.908 N/A GLN 269.A N HIS 265.A O no hydrogen 3.105 N/A TYR 270.A N ARG 266.A O no hydrogen 2.995 N/A TYR 270.A OH GLU 293.A OE2 no hydrogen 2.898 N/A ALA 271.A N ALA 267.A O no hydrogen 2.926 N/A ASN 272.A N LEU 268.A O no hydrogen 2.903 N/A ASN 272.A ND2 GLU 234.A O no hydrogen 2.843 N/A ALA 273.A N GLN 269.A O no hydrogen 2.954 N/A CYS 274.A N TYR 270.A O no hydrogen 2.649 N/A CYS 274.A SG CYS 249.A O no hydrogen 3.544 N/A GLY 275.A N ALA 271.A O no hydrogen 2.818 N/A ALA 276.A N ASN 272.A O no hydrogen 3.000 N/A LEU 277.A N ALA 273.A O no hydrogen 2.946 N/A ALA 278.A N CYS 274.A O no hydrogen 3.123 N/A VAL 279.A N GLY 275.A O no hydrogen 3.454 N/A THR 280.A OG1 LEU 277.A O no hydrogen 2.760 N/A ARG 281.A N ALA 278.A O no hydrogen 3.319 N/A GLY 283.A N ASP 242.A OD2 no hydrogen 3.169 N/A THR 287.A OG1 ASP 41.A OD2 no hydrogen 3.435 N/A ARG 289.A N GLU 291.A OE1 no hydrogen 2.985 N/A ILE 292.A N ARG 289.A O no hydrogen 3.179 N/A GLU 293.A N LEU 290.A O no hydrogen 2.968 N/A PHE 295.A N GLU 291.A O no hydrogen 2.878 N/A ILE 296.A N ILE 292.A O no hydrogen 2.949 N/A GLN 297.A N GLU 293.A O no hydrogen 2.939 N/A ARG 298.A N THR 294.A O no hydrogen 3.241 N/A HIS 299.A N ILE 296.A O no hydrogen 2.762 N/A