Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k13_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N ASP 234.A O no hydrogen 2.950 N/A ILE 7.A N GLY 235.A O no hydrogen 2.787 N/A GLY 8.A N VAL 45.A O no hydrogen 2.875 N/A GLU 9.A N VAL 237.A O no hydrogen 2.875 N/A ARG 10.A N GLN 38.A OE1 no hydrogen 2.952 N/A VAL 13.A N ASN 49.A O no hydrogen 2.869 N/A ALA 14.A N ASN 12.A OD1 no hydrogen 2.767 N/A GLY 15.A N ASN 12.A O no hydrogen 3.002 N/A GLY 15.A N ASN 12.A OD1 no hydrogen 2.911 N/A PHE 19.A N SER 16.A OG no hydrogen 3.075 N/A LEU 20.A N SER 16.A O no hydrogen 3.008 N/A ARG 21.A N ARG 17.A O no hydrogen 3.043 N/A ARG 21.A NH1 GLU 25.A OE1 no hydrogen 3.081 N/A LEU 22.A N LYS 18.A O no hydrogen 2.910 N/A VAL 23.A N PHE 19.A O no hydrogen 3.054 N/A ASN 24.A N LEU 20.A O no hydrogen 2.978 N/A GLU 25.A N ARG 21.A O no hydrogen 2.860 N/A LYS 26.A N VAL 23.A O no hydrogen 2.862 N/A LYS 26.A NZ TYR 28.A OH no hydrogen 3.245 N/A LYS 27.A N LEU 22.A O no hydrogen 2.879 N/A LYS 27.A NZ GLU 25.A OE1 no hydrogen 2.978 N/A TYR 28.A OH GLU 59.A OE1 no hydrogen 2.572 N/A ALA 31.A N LYS 27.A O no hydrogen 3.000 N/A LEU 32.A N TYR 28.A O no hydrogen 2.855 N/A SER 33.A N ASP 29.A O no hydrogen 3.030 N/A SER 33.A OG ASP 29.A O no hydrogen 3.217 N/A ILE 34.A N ALA 31.A O no hydrogen 3.161 N/A ARG 36.A N LEU 32.A O no hydrogen 2.936 N/A ARG 36.A NE GLU 68.A OE1.B no hydrogen 2.627 N/A ARG 36.A NH1 SER 33.A OG no hydrogen 3.071 N/A ARG 36.A NH2 GLU 68.A OE1.A no hydrogen 2.900 N/A ARG 36.A NH2 GLU 68.A OE1.B no hydrogen 3.137 N/A GLN 37.A N SER 33.A O no hydrogen 2.845 N/A GLN 37.A NE2 ASP 41.A OD1 no hydrogen 3.152 N/A GLN 37.A NE2 ASP 41.A OD2 no hydrogen 3.463 N/A GLN 38.A N ILE 34.A O no hydrogen 3.210 N/A GLN 38.A NE2 ILE 34.A O no hydrogen 3.311 N/A VAL 39.A N ALA 35.A O no hydrogen 3.078 N/A GLU 40.A N ARG 36.A O no hydrogen 2.922 N/A ASP 41.A N GLN 37.A O no hydrogen 2.855 N/A GLY 42.A N VAL 39.A O no hydrogen 3.157 N/A ALA 43.A N GLN 38.A O no hydrogen 2.967 N/A LEU 44.A N ASN 6.A O no hydrogen 2.888 N/A ILE 46.A N PRO 75.A O no hydrogen 3.041 N/A ASP 47.A N GLY 8.A O no hydrogen 3.041 N/A ASN 49.A N CYS 11.A O no hydrogen 2.922 N/A LEU 53.A N ASP 51.A OD2 no hydrogen 2.768 N/A LEU 54.A N ASP 51.A O no hydrogen 2.947 N/A THR 58.A N ASP 55.A OD1 no hydrogen 3.484 N/A THR 58.A OG1 ASP 55.A OD2 no hydrogen 2.696 N/A GLU 59.A N ASP 55.A O no hydrogen 2.982 N/A THR 60.A OG1 ARG 57.A O no hydrogen 3.430 N/A THR 60.A OG1 THR 58.A O no hydrogen 3.273 N/A THR 61.A N THR 58.A O no hydrogen 2.971 N/A THR 61.A OG1 THR 58.A O no hydrogen 2.949 N/A PHE 62.A N GLU 59.A O no hydrogen 2.925 N/A ASN 64.A N THR 60.A O no hydrogen 2.942 N/A LEU 65.A N THR 61.A O no hydrogen 2.960 N/A ILE 66.A N PHE 62.A O no hydrogen 2.872 N/A SER 67.A OG LEU 65.A O no hydrogen 2.607 N/A GLU 68.A N ILE 66.A O no hydrogen 2.936 N/A GLU 70.A N GLU 68.A OE2.B no hydrogen 3.389 N/A ILE 71.A N GLU 68.A O no hydrogen 2.862 N/A ALA 72.A N GLU 68.A O no hydrogen 2.878 N/A VAL 74.A N ILE 71.A O no hydrogen 3.240 N/A ASP 78.A N VAL 48.A O no hydrogen 2.893 N/A SER 79.A N ASN 99.A O no hydrogen 3.129 N/A SER 79.A OG ASP 50.A OD1 no hydrogen 2.705 N/A SER 79.A OG ASP 50.A OD2 no hydrogen 3.284 N/A SER 79.A OG LYS 81.A O no hydrogen 3.536 N/A SER 80.A N ASP 50.A OD2 no hydrogen 2.855 N/A SER 80.A OG ASP 50.A OD2 no hydrogen 3.353 N/A LYS 81.A N SER 79.A OG no hydrogen 3.046 N/A TRP 82.A NE1 GLU 86.A OE1 no hydrogen 2.954 N/A VAL 84.A N LYS 81.A O no hydrogen 3.136 N/A ILE 85.A N LYS 81.A O no hydrogen 3.241 N/A GLU 86.A N TRP 82.A O no hydrogen 2.824 N/A ALA 87.A N GLU 83.A O no hydrogen 2.971 N/A GLY 88.A N VAL 84.A O no hydrogen 2.965 N/A LEU 89.A N ILE 85.A O no hydrogen 2.881 N/A LYS 90.A N GLU 86.A O no hydrogen 2.992 N/A CYS 91.A N ALA 87.A O no hydrogen 3.083 N/A CYS 91.A N GLY 88.A O no hydrogen 3.243 N/A CYS 91.A SG THR 60.A O no hydrogen 4.032 N/A CYS 91.A SG ASN 64.A OD1 no hydrogen 3.694 N/A LEU 92.A N GLY 88.A O no hydrogen 2.920 N/A LYS 95.A NZ GLY 121.A O no hydrogen 3.249 N/A LYS 95.A NZ ASP 161.A OD1 no hydrogen 3.006 N/A LYS 95.A NZ ASP 161.A OD2 no hydrogen 2.963 N/A ILE 97.A N VAL 76.A O no hydrogen 2.957 N/A VAL 98.A N ALA 123.A O no hydrogen 2.864 N/A ASN 99.A N ILE 77.A O no hydrogen 2.812 N/A ASN 99.A ND2 ASP 47.A OD1 no hydrogen 3.200 N/A ILE 101.A N VAL 125.A O no hydrogen 3.010 N/A LEU 103.A N PHE 128.A O no hydrogen 2.986 N/A LYS 104.A N SER 102.A OG no hydrogen 3.091 N/A GLY 106.A N LEU 103.A O no hydrogen 2.800 N/A PHE 110.A N GLY 106.A O no hydrogen 3.205 N/A LEU 111.A N GLU 107.A O no hydrogen 2.890 N/A GLU 112.A N GLU 108.A O no hydrogen 2.977 N/A HIS 113.A N VAL 109.A O no hydrogen 2.983 N/A ALA 114.A N PHE 110.A O no hydrogen 2.930 N/A ARG 115.A N LEU 111.A O no hydrogen 2.934 N/A ILE 116.A N GLU 112.A O no hydrogen 3.135 N/A ILE 117.A N HIS 113.A O no hydrogen 2.906 N/A LYS 118.A N ALA 114.A O no hydrogen 2.851 N/A LYS 118.A NZ VAL 155.A O no hydrogen 3.070 N/A LYS 118.A NZ GLY 156.A O no hydrogen 3.140 N/A GLN 119.A N ARG 115.A O no hydrogen 3.067 N/A TYR 120.A N ILE 116.A O no hydrogen 3.103 N/A GLY 121.A N LYS 118.A O no hydrogen 2.943 N/A ALA 122.A N ILE 117.A O no hydrogen 3.208 N/A ALA 123.A N SER 96.A O no hydrogen 3.256 N/A THR 124.A N ASP 161.A O no hydrogen 2.948 N/A THR 124.A OG1 VAL 98.A O no hydrogen 3.490 N/A THR 124.A OG1 VAL 125.A O no hydrogen 2.953 N/A VAL 125.A N VAL 98.A O no hydrogen 2.783 N/A VAL 126.A N ILE 163.A O no hydrogen 2.824 N/A ASP 129.A N GLY 132.A O no hydrogen 3.042 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.608 N/A LYS 131.A N ASP 129.A OD1 no hydrogen 2.849 N/A LYS 131.A NZ GLU 142.A OE1 no hydrogen 3.520 N/A LYS 131.A NZ GLU 142.A OE2 no hydrogen 2.855 N/A GLY 132.A N ASP 129.A O no hydrogen 2.987 N/A ALA 134.A N ALA 127.A O no hydrogen 2.920 N/A ASP 135.A N ASP 135.A OD1 no hydrogen 2.583 N/A THR 136.A N ASP 135.A OD1 no hydrogen 2.998 N/A ALA 137.A N ASP 184.A OD1 no hydrogen 3.265 N/A ARG 139.A N THR 136.A OG1 no hydrogen 3.079 N/A ARG 139.A NH1 ASP 129.A OD1 no hydrogen 2.874 N/A ARG 139.A NH2 ASP 129.A OD2 no hydrogen 2.982 N/A ARG 139.A NH2 GLU 142.A OE1 no hydrogen 3.015 N/A LYS 140.A N THR 136.A O no hydrogen 2.949 N/A LYS 140.A NZ ALA 134.A O no hydrogen 2.872 N/A LYS 140.A NZ ASP 135.A O no hydrogen 3.377 N/A LYS 140.A NZ PRO 166.A O no hydrogen 2.697 N/A LYS 140.A NZ ASN 167.A O no hydrogen 3.379 N/A ILE 141.A N ALA 137.A O no hydrogen 2.994 N/A GLU 142.A N ALA 138.A O no hydrogen 2.939 N/A VAL 143.A N ARG 139.A O no hydrogen 3.035 N/A CYS 144.A N LYS 140.A O no hydrogen 3.097 N/A CYS 144.A SG LYS 140.A O no hydrogen 3.340 N/A GLU 145.A N ILE 141.A O no hydrogen 2.969 N/A ARG 146.A N GLU 142.A O no hydrogen 3.230 N/A ARG 146.A NH1 GLU 130.A OE1 no hydrogen 2.750 N/A ARG 146.A NH2 GLU 107.A OE1 no hydrogen 2.993 N/A ARG 146.A NH2 GLU 130.A OE2 no hydrogen 2.842 N/A ALA 147.A N VAL 143.A O no hydrogen 2.867 N/A TYR 148.A N CYS 144.A O no hydrogen 2.773 N/A TYR 148.A OH PRO 197.A O no hydrogen 2.541 N/A ARG 149.A N GLU 145.A O no hydrogen 3.076 N/A ARG 149.A NE ASP 153.A OD2 no hydrogen 3.039 N/A ARG 149.A NH2 ASP 153.A OD1 no hydrogen 3.078 N/A LEU 150.A N ARG 146.A O no hydrogen 3.025 N/A LEU 151.A N ALA 147.A O no hydrogen 2.932 N/A VAL 152.A N TYR 148.A O no hydrogen 2.856 N/A ASP 153.A N ARG 149.A O no hydrogen 2.773 N/A LYS 154.A N LEU 150.A O no hydrogen 2.865 N/A VAL 155.A N LEU 150.A O no hydrogen 3.297 N/A VAL 155.A N LEU 151.A O no hydrogen 3.256 N/A PHE 157.A N LEU 151.A O no hydrogen 2.946 N/A HIS 160.A N ASN 158.A OD1 no hydrogen 3.032 N/A ASP 161.A N ASN 158.A O no hydrogen 2.888 N/A ILE 162.A N PRO 159.A O no hydrogen 3.126 N/A ILE 163.A N THR 124.A O no hydrogen 2.795 N/A PHE 164.A N HIS 200.A O no hydrogen 2.910 N/A ASP 165.A N VAL 126.A O no hydrogen 2.884 N/A ASN 167.A N ASP 165.A OD1 no hydrogen 2.883 N/A ASN 167.A ND2 ALA 127.A O no hydrogen 2.789 N/A ASN 167.A ND2 ALA 134.A O no hydrogen 3.123 N/A VAL 171.A N LEU 208.A O no hydrogen 3.373 N/A THR 173.A OG1 HIS 178.A ND1 no hydrogen 2.769 N/A ILE 175.A N THR 173.A OG1 no hydrogen 3.174 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.811 N/A HIS 178.A N ILE 175.A O no hydrogen 2.941 N/A HIS 178.A ND1 THR 173.A OG1 no hydrogen 2.769 N/A ASN 179.A N GLU 176.A O no hydrogen 3.079 N/A ASN 180.A ND2 ASP 184.A OD1 no hydrogen 3.248 N/A TYR 181.A N HIS 178.A O no hydrogen 3.057 N/A ASP 184.A N ASN 180.A O no hydrogen 2.809 N/A PHE 185.A N TYR 181.A O no hydrogen 3.209 N/A ILE 186.A N ALA 182.A O no hydrogen 2.963 N/A GLU 187.A N VAL 183.A O no hydrogen 2.845 N/A ALA 188.A N ASP 184.A O no hydrogen 2.947 N/A THR 189.A N PHE 185.A O no hydrogen 2.852 N/A THR 189.A OG1 PHE 185.A O no hydrogen 2.829 N/A GLY 190.A N ILE 186.A O no hydrogen 3.113 N/A TRP 191.A N GLU 187.A O no hydrogen 3.156 N/A ILE 192.A N ALA 188.A O no hydrogen 2.878 N/A ARG 193.A N THR 189.A O no hydrogen 3.059 N/A ARG 193.A NH1.A ALA 199.A O no hydrogen 2.868 N/A ARG 193.A NH2.B ASP 234.A OD2 no hydrogen 3.369 N/A LYS 194.A N GLY 190.A O no hydrogen 3.107 N/A ASN 195.A N TRP 191.A O no hydrogen 2.862 N/A ASN 195.A N ILE 192.A O no hydrogen 3.180 N/A ASN 195.A ND2 TRP 191.A O no hydrogen 2.884 N/A LEU 196.A N ILE 192.A O no hydrogen 2.872 N/A ALA 199.A N LEU 196.A O no hydrogen 3.291 N/A HIS 200.A N ILE 162.A O no hydrogen 2.855 N/A HIS 200.A ND1 ASP 234.A OD2 no hydrogen 2.665 N/A VAL 201.A N ASP 234.A OD1 no hydrogen 2.939 N/A SER 202.A N PHE 164.A O no hydrogen 2.892 N/A VAL 205.A N ILE 236.A O no hydrogen 3.138 N/A SER 206.A OG GLU 9.A OE1 no hydrogen 2.671 N/A SER 206.A OG GLU 9.A OE2 no hydrogen 3.452 N/A ASN 207.A N GLY 204.A O no hydrogen 3.169 N/A LEU 208.A N VAL 205.A O no hydrogen 2.988 N/A SER 209.A N SER 206.A O no hydrogen 3.436 N/A SER 209.A OG SER 206.A O no hydrogen 3.160 N/A SER 209.A OG HIS 222.A NE2 no hydrogen 2.629 N/A PHE 210.A N ASN 207.A O no hydrogen 3.497 N/A SER 211.A OG VAL 171.A O no hydrogen 2.878 N/A SER 211.A OG ALA 172.A O no hydrogen 3.042 N/A PHE 212.A N SER 209.A O no hydrogen 2.813 N/A ARG 213.A N PHE 210.A O no hydrogen 3.397 N/A ASN 215.A N PHE 212.A O no hydrogen 2.860 N/A ASN 215.A ND2 ALA 274.A O no hydrogen 3.100 N/A ARG 219.A N ASN 215.A O no hydrogen 3.038 N/A ARG 219.A NE SER 209.A OG no hydrogen 2.735 N/A ARG 219.A NH2 SER 206.A O no hydrogen 2.907 N/A ARG 219.A NH2 SER 209.A OG no hydrogen 3.216 N/A GLU 220.A N ASN 216.A O no hydrogen 3.030 N/A ALA 221.A N TYR 217.A O no hydrogen 2.786 N/A HIS 222.A NE2 SER 209.A OG no hydrogen 2.629 N/A ALA 223.A N GLU 220.A O no hydrogen 2.935 N/A VAL 224.A N ALA 221.A O no hydrogen 2.963 N/A LEU 226.A N HIS 222.A O no hydrogen 2.890 N/A TYR 227.A N ALA 223.A O no hydrogen 2.923 N/A HIS 228.A N VAL 224.A O no hydrogen 3.160 N/A HIS 228.A NE2 GLU 256.A OE2 no hydrogen 2.754 N/A ALA 229.A N PHE 225.A O no hydrogen 2.761 N/A ILE 230.A N LEU 226.A O no hydrogen 2.858 N/A GLN 232.A N ALA 229.A O no hydrogen 3.018 N/A GLY 233.A N ILE 230.A O no hydrogen 2.914 N/A ASP 234.A N VAL 201.A O no hydrogen 3.158 N/A ILE 236.A N GLY 203.A O no hydrogen 2.842 N/A VAL 237.A N ILE 7.A O no hydrogen 2.811 N/A GLY 240.A N ASN 238.A OD1 no hydrogen 3.391 N/A TYR 244.A OH GLU 256.A OE2 no hydrogen 2.496 N/A ASP 246.A N LEU 243.A O no hydrogen 2.927 N/A ILE 247.A N TYR 244.A O no hydrogen 3.340 N/A LEU 252.A N PRO 248.A O no hydrogen 2.779 N/A GLU 253.A N ALA 249.A O no hydrogen 2.963 N/A LYS 254.A N ASP 250.A O no hydrogen 3.257 N/A ILE 255.A N THR 251.A O no hydrogen 2.993 N/A GLU 256.A N LEU 252.A O no hydrogen 2.763 N/A ASP 257.A N GLU 253.A O no hydrogen 2.787 N/A VAL 258.A N LYS 254.A O no hydrogen 3.363 N/A VAL 259.A N ILE 255.A O no hydrogen 2.863 N/A LEU 260.A N GLU 256.A O no hydrogen 2.828 N/A ASN 261.A N VAL 258.A O no hydrogen 3.104 N/A ASN 261.A ND2 ASN 180.A OD1 no hydrogen 2.910 N/A ARG 262.A N ASP 257.A O no hydrogen 2.945 N/A ARG 262.A NE ASP 257.A OD1 no hydrogen 2.864 N/A ARG 262.A NH1 ASP 257.A OD1 no hydrogen 2.866 N/A ARG 262.A NH2 GLU 256.A OE1 no hydrogen 3.547 N/A ARG 263.A NE ASP 265.A OD1 no hydrogen 2.784 N/A ARG 263.A NH2 ASP 265.A OD1 no hydrogen 3.546 N/A ARG 263.A NH2 ASP 265.A OD2 no hydrogen 2.925 N/A ALA 266.A N ARG 263.A O no hydrogen 3.173 N/A ARG 269.A N ASP 265.A O no hydrogen 3.088 N/A LEU 270.A N ALA 266.A O no hydrogen 3.020 N/A ILE 271.A N ALA 267.A O no hydrogen 2.829 N/A GLU 272.A N GLU 268.A O no hydrogen 3.028 N/A LEU 273.A N ARG 269.A O no hydrogen 3.218 N/A ALA 274.A N LEU 270.A O no hydrogen 2.893 N/A GLU 275.A N ILE 271.A O no hydrogen 2.969 N/A ALA 276.A N GLU 272.A O no hydrogen 3.092 N/A LEU 277.A N LEU 273.A O no hydrogen 3.002 N/A LYS 278.A N ALA 274.A O no hydrogen 3.269 N/A LYS 278.A N GLU 275.A O no hydrogen 3.343 N/A LYS 278.A NZ ASN 215.A OD1 no hydrogen 2.712 N/A