Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jnd_K.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N HIS 27.A O no hydrogen 2.510 N/A ARG 7.A N PRO 4.A O no hydrogen 3.219 N/A LEU 8.A N ILE 5.A O no hydrogen 2.867 N/A GLU 9.A N SER 6.A O no hydrogen 2.963 N/A GLN 10.A N ARG 7.A O no hydrogen 3.023 N/A GLN 10.A N GLN 10.A OE1 no hydrogen 2.563 N/A CYS 11.A N LEU 8.A O no hydrogen 2.969 N/A CYS 11.A SG ARG 7.A O no hydrogen 3.815 N/A CYS 11.A SG GLU 57.A O no hydrogen 3.983 N/A GLY 12.A N GLU 9.A O no hydrogen 3.048 N/A ILE 13.A N GLU 57.A OE1 no hydrogen 3.213 N/A VAL 18.A N ASN 14.A O no hydrogen 3.349 N/A LYS 19.A N ALA 15.A O no hydrogen 2.932 N/A LYS 19.A NZ GLU 22.A OE1 no hydrogen 3.382 N/A LYS 20.A N ASN 16.A O no hydrogen 2.938 N/A LYS 20.A NZ GLY 45.A O no hydrogen 3.413 N/A LEU 21.A N ASP 17.A O no hydrogen 2.923 N/A GLU 22.A N VAL 18.A O no hydrogen 2.933 N/A GLU 23.A N LYS 19.A O no hydrogen 2.903 N/A ALA 24.A N LYS 20.A O no hydrogen 2.915 N/A GLY 25.A N LEU 21.A O no hydrogen 2.861 N/A PHE 26.A N LEU 21.A O no hydrogen 2.883 N/A VAL 29.A N GLN 3.A O no hydrogen 2.486 N/A ALA 31.A N THR 28.A O no hydrogen 3.028 N/A ALA 31.A N THR 28.A OG1 no hydrogen 2.889 N/A VAL 32.A N THR 28.A O no hydrogen 3.141 N/A ALA 33.A N VAL 29.A O no hydrogen 2.904 N/A TYR 34.A N GLU 30.A O no hydrogen 3.439 N/A LYS 37.A NZ ASP 52.A OD1 no hydrogen 2.326 N/A ILE 41.A N LYS 37.A O no hydrogen 2.967 N/A ASN 42.A N LYS 38.A O no hydrogen 2.895 N/A ILE 43.A N LEU 40.A O no hydrogen 3.269 N/A ALA 51.A N SER 47.A O no hydrogen 3.191 N/A ASP 52.A N GLU 48.A O no hydrogen 2.919 N/A LYS 53.A N ALA 49.A O no hydrogen 2.968 N/A ILE 54.A N LYS 50.A O no hydrogen 2.955 N/A LEU 55.A N ALA 51.A O no hydrogen 2.937 N/A ALA 56.A N ASP 52.A O no hydrogen 2.926 N/A GLU 57.A N LYS 53.A O no hydrogen 2.984 N/A ALA 58.A N ILE 54.A O no hydrogen 2.822 N/A ALA 59.A N LEU 55.A O no hydrogen 2.976 N/A LYS 60.A N GLU 57.A O no hydrogen 3.264 N/A VAL 62.A N ALA 58.A O no hydrogen 2.958 N/A GLN 63.A NE2 GLN 76.A O no hydrogen 3.166 N/A ILE 64.A N ILE 79.A O no hydrogen 3.029 N/A THR 65.A N GLY 113.A O no hydrogen 2.325 N/A THR 65.A OG1 ASP 72.A OD2 no hydrogen 2.531 N/A THR 66.A N ASP 72.A OD1 no hydrogen 2.742 N/A THR 66.A OG1 ASP 72.A OD1 no hydrogen 2.767 N/A GLY 67.A N THR 65.A OG1 no hydrogen 3.101 N/A SER 68.A N THR 66.A OG1 no hydrogen 3.134 N/A SER 68.A OG ASP 280.A OD1 no hydrogen 2.626 N/A LYS 69.A N ASP 280.A OD2 no hydrogen 2.933 N/A GLU 70.A N ASP 280.A OD1 no hydrogen 2.517 N/A LEU 71.A N SER 68.A OG no hydrogen 3.389 N/A ASP 72.A N SER 68.A O no hydrogen 2.768 N/A LYS 73.A N LYS 69.A O no hydrogen 2.858 N/A LEU 74.A N GLU 70.A O no hydrogen 2.907 N/A LEU 75.A N LEU 71.A O no hydrogen 2.893 N/A GLN 76.A N LYS 73.A O no hydrogen 3.121 N/A GLY 77.A N ASP 72.A O no hydrogen 2.417 N/A ILE 79.A N ILE 64.A O no hydrogen 3.148 N/A GLY 82.A N VAL 223.A O no hydrogen 2.615 N/A SER 83.A OG GLU 80.A O no hydrogen 2.894 N/A THR 85.A N VAL 225.A O no hydrogen 3.115 N/A GLU 86.A N THR 242.A O no hydrogen 2.922 N/A PHE 88.A N LEU 244.A O no hydrogen 2.816 N/A THR 93.A OG1 GLU 90.A O no hydrogen 2.904 N/A LYS 95.A NZ GLY 89.A O no hydrogen 3.442 N/A THR 96.A OG1 GLU 125.A OE1 no hydrogen 3.518 N/A THR 96.A OG1 ASP 184.A OD2 no hydrogen 3.296 N/A ILE 98.A N GLY 94.A O no hydrogen 2.806 N/A CYS 99.A N LYS 95.A O no hydrogen 2.916 N/A CYS 99.A SG LYS 95.A O no hydrogen 3.107 N/A HIS 100.A N THR 96.A O no hydrogen 2.921 N/A HIS 100.A ND1 THR 96.A O no hydrogen 2.707 N/A THR 101.A N GLN 97.A O no hydrogen 2.939 N/A THR 101.A OG1 GLN 97.A O no hydrogen 3.158 N/A LEU 102.A N ILE 98.A O no hydrogen 2.876 N/A ALA 103.A N CYS 99.A O no hydrogen 2.899 N/A VAL 104.A N THR 101.A O no hydrogen 3.085 N/A THR 105.A N THR 101.A O no hydrogen 2.960 N/A THR 105.A OG1 THR 65.A O no hydrogen 2.952 N/A THR 105.A OG1 THR 101.A O no hydrogen 3.419 N/A THR 105.A OG1 LEU 102.A O no hydrogen 3.241 N/A CYS 106.A N LEU 102.A O no hydrogen 2.935 N/A CYS 106.A SG LEU 102.A O no hydrogen 3.403 N/A CYS 106.A SG ALA 103.A O no hydrogen 3.117 N/A CYS 106.A SG GLY 117.A O no hydrogen 3.890 N/A GLN 107.A N VAL 104.A O no hydrogen 2.911 N/A GLN 107.A NE2 ALA 103.A O no hydrogen 3.312 N/A GLN 107.A NE2 VAL 147.A O no hydrogen 3.252 N/A LEU 108.A N THR 105.A O no hydrogen 2.896 N/A ILE 110.A N GLU 116.A OE2 no hydrogen 2.885 N/A ARG 112.A N PRO 109.A O no hydrogen 2.861 N/A ARG 112.A NH1 TYR 140.A O no hydrogen 3.186 N/A ARG 112.A NH2 TYR 140.A O no hydrogen 3.202 N/A GLY 113.A N ILE 110.A O no hydrogen 2.991 N/A GLY 114.A N PRO 109.A O no hydrogen 2.749 N/A GLY 115.A N CYS 106.A O no hydrogen 2.920 N/A GLU 116.A N LEU 108.A O no hydrogen 3.126 N/A LYS 118.A N ARG 177.A O no hydrogen 3.059 N/A ALA 119.A N ASN 150.A O no hydrogen 2.608 N/A MET 120.A N LEU 180.A O no hydrogen 2.638 N/A TYR 121.A N ALA 152.A O no hydrogen 3.046 N/A TYR 121.A OH ASP 184.A OD2 no hydrogen 2.931 N/A ILE 122.A N ILE 182.A O no hydrogen 2.543 N/A ASP 123.A N ALA 154.A O no hydrogen 2.975 N/A THR 124.A N ASP 184.A O no hydrogen 3.312 N/A THR 124.A OG1 ASP 184.A O no hydrogen 2.543 N/A THR 124.A OG1 SER 185.A O no hydrogen 2.755 N/A GLU 125.A N ASP 123.A OD1 no hydrogen 3.464 N/A GLU 125.A N ASP 123.A OD2 no hydrogen 3.162 N/A GLY 126.A N ASP 123.A OD2 no hydrogen 2.549 N/A THR 127.A OG1 GLU 125.A OE1 no hydrogen 2.868 N/A THR 127.A OG1 ASP 184.A OD2 no hydrogen 2.984 N/A ARG 129.A N HIS 100.A NE2 no hydrogen 2.891 N/A ARG 129.A NH2 GLY 126.A O no hydrogen 2.851 N/A ARG 129.A NH2 PHE 128.A O no hydrogen 2.856 N/A ARG 132.A NH1 ASN 274.A O no hydrogen 3.201 N/A ARG 132.A NH2 ALA 275.A O no hydrogen 2.288 N/A LEU 133.A N ARG 129.A O no hydrogen 3.417 N/A LEU 134.A N PRO 130.A O no hydrogen 2.901 N/A ALA 135.A N GLU 131.A O no hydrogen 2.882 N/A VAL 136.A N ARG 132.A O no hydrogen 2.941 N/A ALA 137.A N LEU 133.A O no hydrogen 2.888 N/A GLU 138.A N LEU 134.A O no hydrogen 2.888 N/A ARG 139.A N ALA 135.A O no hydrogen 2.936 N/A ARG 139.A NH1 GLY 67.A O no hydrogen 2.640 N/A ARG 139.A NH2 GLY 67.A O no hydrogen 3.305 N/A ARG 139.A NH2 VAL 278.A O no hydrogen 3.033 N/A TYR 140.A N VAL 136.A O no hydrogen 3.277 N/A GLY 141.A N GLU 138.A O no hydrogen 3.201 N/A LEU 142.A N ALA 137.A O no hydrogen 2.435 N/A SER 145.A OG SER 143.A OG no hydrogen 2.969 N/A ASP 146.A N SER 143.A OG no hydrogen 3.403 N/A VAL 147.A N SER 143.A O no hydrogen 2.846 N/A LEU 148.A N GLY 144.A O no hydrogen 2.933 N/A ASP 149.A N SER 145.A O no hydrogen 2.887 N/A ASN 150.A N VAL 147.A O no hydrogen 3.017 N/A ASN 150.A ND2 GLN 107.A OE1 no hydrogen 3.340 N/A VAL 151.A N LEU 148.A O no hydrogen 3.438 N/A ALA 152.A N ALA 119.A O no hydrogen 3.090 N/A ALA 154.A N TYR 121.A O no hydrogen 3.314 N/A ALA 156.A N ASP 123.A O no hydrogen 2.628 N/A THR 159.A N ASP 193.A OD2 no hydrogen 2.995 N/A GLN 162.A N ASN 158.A O no hydrogen 2.696 N/A GLN 162.A NE2 ALA 186.A O no hydrogen 3.511 N/A THR 163.A N THR 159.A O no hydrogen 2.909 N/A THR 163.A OG1 THR 159.A O no hydrogen 3.232 N/A THR 163.A OG1 HIS 206.A NE2 no hydrogen 2.473 N/A GLN 164.A N ASP 160.A O no hydrogen 2.853 N/A LEU 165.A N HIS 161.A O no hydrogen 2.935 N/A LEU 166.A N THR 163.A O no hydrogen 2.994 N/A TYR 167.A N GLN 164.A O no hydrogen 3.103 N/A TYR 167.A OH GLU 22.A OE1 no hydrogen 3.235 N/A ALA 169.A N LEU 165.A O no hydrogen 2.879 N/A SER 170.A N LEU 166.A O no hydrogen 2.859 N/A SER 170.A OG LEU 166.A O no hydrogen 3.346 N/A SER 170.A OG TYR 167.A O no hydrogen 2.935 N/A MET 172.A N GLN 168.A O no hydrogen 2.948 N/A MET 173.A N ALA 169.A O no hydrogen 2.840 N/A VAL 174.A N ALA 171.A O no hydrogen 3.373 N/A ARG 177.A NE GLU 116.A O no hydrogen 3.169 N/A ARG 177.A NH1 GLY 115.A O no hydrogen 2.879 N/A ALA 179.A N LYS 118.A O no hydrogen 2.719 N/A LEU 181.A N ALA 224.A O no hydrogen 2.890 N/A ILE 182.A N MET 120.A O no hydrogen 2.502 N/A VAL 183.A N VAL 226.A O no hydrogen 2.878 N/A ASP 184.A N ILE 122.A O no hydrogen 3.141 N/A SER 185.A N THR 228.A OG1 no hydrogen 2.379 N/A SER 185.A OG GLU 125.A OE2 no hydrogen 2.486 N/A ALA 186.A N THR 228.A O no hydrogen 2.962 N/A THR 187.A OG1 ASN 229.A OD1 no hydrogen 2.539 N/A ALA 188.A N SER 185.A O no hydrogen 3.002 N/A ARG 191.A N ALA 188.A O no hydrogen 3.016 N/A ARG 191.A NH1 GLN 230.A O no hydrogen 2.343 N/A ARG 191.A NH2 GLN 230.A O no hydrogen 3.000 N/A THR 192.A N ALA 188.A O no hydrogen 2.915 N/A THR 192.A OG1 ALA 188.A O no hydrogen 3.275 N/A THR 192.A OG1 LEU 189.A O no hydrogen 3.407 N/A THR 192.A OG1 ASP 193.A OD1 no hydrogen 3.363 N/A ASP 193.A N LEU 189.A O no hydrogen 3.000 N/A SER 195.A OG ARG 191.A O no hydrogen 2.619 N/A SER 195.A OG THR 192.A O no hydrogen 3.093 N/A LEU 200.A N ARG 197.A O no hydrogen 3.444 N/A ARG 203.A N GLU 199.A O no hydrogen 3.519 N/A GLN 204.A N LEU 200.A O no hydrogen 2.931 N/A MET 205.A N SER 201.A O no hydrogen 2.894 N/A HIS 206.A N ALA 202.A O no hydrogen 2.957 N/A HIS 206.A NE2 THR 159.A O no hydrogen 2.702 N/A LEU 207.A N ARG 203.A O no hydrogen 2.840 N/A ALA 208.A N GLN 204.A O no hydrogen 2.874 N/A ARG 209.A N MET 205.A O no hydrogen 2.965 N/A ARG 209.A NH1 HIS 206.A ND1 no hydrogen 3.149 N/A PHE 210.A N HIS 206.A O no hydrogen 2.882 N/A LEU 211.A N LEU 207.A O no hydrogen 2.852 N/A ARG 212.A N ALA 208.A O no hydrogen 2.947 N/A MET 213.A N ARG 209.A O no hydrogen 2.892 N/A LEU 214.A N PHE 210.A O no hydrogen 2.897 N/A LEU 215.A N LEU 211.A O no hydrogen 2.962 N/A ARG 216.A N ARG 212.A O no hydrogen 2.885 N/A LEU 217.A N MET 213.A O no hydrogen 2.871 N/A ALA 218.A N LEU 214.A O no hydrogen 2.894 N/A ASP 219.A N LEU 215.A O no hydrogen 2.934 N/A GLU 220.A N ARG 216.A O no hydrogen 2.866 N/A GLU 220.A N LEU 217.A O no hydrogen 3.181 N/A PHE 221.A N LEU 217.A O no hydrogen 2.930 N/A GLY 222.A N ALA 218.A O no hydrogen 2.896 N/A ALA 224.A N ALA 179.A O no hydrogen 2.903 N/A VAL 225.A N SER 83.A O no hydrogen 3.346 N/A VAL 226.A N LEU 181.A O no hydrogen 2.881 N/A THR 228.A N VAL 183.A O no hydrogen 2.933 N/A THR 228.A OG1 VAL 183.A O no hydrogen 3.437 N/A THR 228.A OG1 ASP 184.A OD1 no hydrogen 2.898 N/A ASN 229.A ND2 GLU 86.A OE2 no hydrogen 3.364 N/A VAL 231.A N GLY 89.A O no hydrogen 3.209 N/A ILE 236.A N GLY 233.A O no hydrogen 3.229 N/A ALA 237.A N ASN 234.A O no hydrogen 3.260 N/A HIS 238.A ND1 HIS 238.A O no hydrogen 2.500 N/A ALA 239.A N ILE 236.A O no hydrogen 2.861 N/A SER 240.A N ILE 236.A O no hydrogen 2.681 N/A SER 240.A OG GLU 86.A OE1 no hydrogen 3.427 N/A SER 240.A OG ILE 236.A O no hydrogen 3.067 N/A THR 241.A N ILE 84.A O no hydrogen 2.595 N/A THR 241.A OG1 ILE 84.A O no hydrogen 2.687 N/A ARG 243.A N ASP 260.A O no hydrogen 3.171 N/A ARG 243.A NE GLU 86.A OE1 no hydrogen 3.028 N/A ARG 243.A NH1 GLY 233.A O no hydrogen 2.854 N/A LEU 244.A N GLU 86.A O no hydrogen 2.879 N/A TYR 245.A N LYS 257.A O no hydrogen 2.803 N/A LEU 246.A N PHE 88.A O no hydrogen 2.986 N/A ARG 247.A N ILE 255.A O no hydrogen 2.991 N/A ARG 247.A NH1 GLU 268.A OE2 no hydrogen 3.205 N/A ARG 254.A N PHE 271.A O no hydrogen 2.761 N/A ARG 254.A NE ARG 92.A O no hydrogen 2.446 N/A ARG 254.A NH1 ARG 92.A O no hydrogen 2.464 N/A ARG 254.A NH1 GLU 252.A OE1 no hydrogen 3.504 N/A ARG 254.A NH2 GLU 252.A OE1 no hydrogen 3.155 N/A ILE 255.A N ARG 247.A O no hydrogen 2.898 N/A CYS 256.A N ALA 269.A O no hydrogen 2.946 N/A LYS 257.A N TYR 245.A O no hydrogen 2.905 N/A ILE 258.A N ALA 267.A O no hydrogen 2.761 N/A TYR 259.A N ARG 243.A O no hydrogen 2.918 N/A LEU 264.A N SER 261.A OG no hydrogen 2.877 N/A ALA 269.A N CYS 256.A O no hydrogen 2.882 N/A PHE 271.A N ARG 254.A O no hydrogen 2.969 N/A ALA 272.A N GLY 279.A O no hydrogen 2.763 N/A ILE 273.A N GLU 252.A O no hydrogen 3.277 N/A ASN 274.A N GLY 277.A O no hydrogen 2.848 N/A GLY 277.A N ASN 274.A O no hydrogen 2.890 N/A VAL 278.A N THR 101.A OG1 no hydrogen 3.022 N/A GLY 279.A N ALA 272.A O no hydrogen 3.021 N/A