Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i8x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ GLN 44.A OE1 no hydrogen 2.975 N/A LEU 4.A N GLN 51.A O no hydrogen 2.813 N/A THR 5.A N ASP 84.A OD2 no hydrogen 3.033 N/A ILE 6.A N THR 53.A O no hydrogen 2.971 N/A GLY 7.A N LEU 85.A O no hydrogen 2.929 N/A LEU 8.A N VAL 55.A O no hydrogen 2.850 N/A ILE 9.A N ILE 87.A O no hydrogen 2.998 N/A SER 14.A OG.A ASN 11.A O no hydrogen 3.105 N/A SER 14.A OG.A ASN 98.A OD1 no hydrogen 3.371 N/A SER 14.A OG.B ASN 11.A O no hydrogen 2.744 N/A LYS 16.A NZ ASP 56.A OD1 no hydrogen 2.687 N/A LYS 16.A NZ ASP 56.A OD2 no hydrogen 3.458 N/A LYS 16.A NZ LEU 57.A O no hydrogen 2.702 N/A LEU 19.A N GLY 15.A O no hydrogen 2.738 N/A PHE 20.A N LYS 16.A O no hydrogen 2.787 N/A ASN 21.A N THR 17.A O no hydrogen 2.848 N/A GLN 22.A N THR 18.A O no hydrogen 3.017 N/A LEU 23.A N LEU 19.A O no hydrogen 3.065 N/A LEU 23.A N PHE 20.A O no hydrogen 3.188 N/A THR 24.A N PHE 20.A O no hydrogen 2.954 N/A THR 24.A OG1 PHE 20.A O no hydrogen 3.013 N/A THR 24.A OG1 GLN 28.A OE1 no hydrogen 3.164 N/A GLY 25.A N ASN 21.A O no hydrogen 2.885 N/A ARG 27.A N THR 24.A O no hydrogen 2.964 N/A ARG 27.A NE GLN 44.A O no hydrogen 2.984 N/A GLN 28.A N SER 26.A O no hydrogen 2.843 N/A ARG 29.A N GLU 42.A O no hydrogen 2.683 N/A GLY 31.A N ARG 40.A O no hydrogen 2.685 N/A ASN 32.A ND2 TRP 33.A O no hydrogen 2.933 N/A ASN 32.A ND2 VAL 36.A O no hydrogen 2.972 N/A TRP 33.A N VAL 38.A O no hydrogen 2.867 N/A VAL 36.A N TRP 33.A O no hydrogen 3.167 N/A ARG 40.A N GLY 31.A O no hydrogen 2.851 N/A ARG 40.A NE GLU 42.A OE1 no hydrogen 3.261 N/A ARG 40.A NH2 GLU 42.A OE1 no hydrogen 2.910 N/A GLU 42.A N ARG 29.A O no hydrogen 2.939 N/A GLY 43.A N LEU 54.A O no hydrogen 2.963 N/A GLN 44.A N ARG 27.A O no hydrogen 2.922 N/A PHE 45.A N VAL 52.A O no hydrogen 3.308 N/A THR 47.A N HIS 50.A O no hydrogen 2.927 N/A THR 47.A OG1 HIS 50.A O no hydrogen 3.540 N/A THR 47.A OG1 ASP 161.A OD1 no hydrogen 3.166 N/A THR 47.A OG1 ASP 161.A OD2 no hydrogen 2.538 N/A ASP 49.A N ASP 161.A OD1 no hydrogen 3.341 N/A HIS 50.A N THR 47.A OG1 no hydrogen 3.099 N/A HIS 50.A ND1 ASP 161.A OD2 no hydrogen 2.747 N/A VAL 52.A N PHE 45.A O no hydrogen 2.901 N/A THR 53.A N LEU 4.A O no hydrogen 2.800 N/A THR 53.A OG1 GLN 44.A OE1 no hydrogen 3.298 N/A LEU 54.A N GLY 43.A O no hydrogen 2.919 N/A VAL 55.A N ILE 6.A O no hydrogen 2.853 N/A ASP 56.A N LYS 41.A O no hydrogen 2.959 N/A LEU 57.A N LEU 8.A O no hydrogen 2.991 N/A THR 60.A N GLY 10.A O no hydrogen 3.095 N/A THR 60.A OG1 SER 62.A O no hydrogen 2.544 N/A TYR 61.A OH TYR 246.A OH no hydrogen 2.960 N/A SER 62.A N THR 60.A OG1 no hydrogen 3.380 N/A LEU 63.A N GLN 104.A OE1.A no hydrogen 3.255 N/A LEU 63.A N GLN 104.A OE1.B no hydrogen 2.502 N/A THR 64.A N SER 62.A OG no hydrogen 3.102 N/A THR 64.A OG1 GLN 104.A OE1.A no hydrogen 3.142 N/A THR 65.A N ASP 209.A OD2 no hydrogen 3.041 N/A THR 65.A OG1 GLU 71.A OE1 no hydrogen 2.739 N/A THR 67.A OG1 THR 65.A O no hydrogen 3.494 N/A GLN 72.A N SER 68.A O no hydrogen 3.403 N/A ILE 73.A N LEU 69.A O no hydrogen 2.671 N/A ALA 74.A N ASP 70.A O no hydrogen 2.826 N/A CYS 75.A N GLU 71.A O no hydrogen 2.967 N/A CYS 75.A SG LEU 63.A O no hydrogen 3.606 N/A HIS 76.A N GLN 72.A O no hydrogen 2.855 N/A TYR 77.A N ILE 73.A O no hydrogen 3.099 N/A ILE 78.A N ALA 74.A O no hydrogen 3.056 N/A LEU 79.A N CYS 75.A O no hydrogen 2.940 N/A SER 80.A N TYR 77.A O no hydrogen 3.091 N/A SER 80.A OG TYR 77.A O no hydrogen 2.694 N/A ASP 82.A N SER 80.A OG no hydrogen 3.240 N/A ASP 84.A N THR 5.A O no hydrogen 2.676 N/A LEU 85.A N THR 5.A O no hydrogen 3.337 N/A LEU 86.A N PRO 111.A O no hydrogen 2.949 N/A ILE 87.A N GLY 7.A O no hydrogen 2.814 N/A ASN 88.A N ILE 113.A O no hydrogen 2.900 N/A ASN 88.A ND2 THR 102.A OG1 no hydrogen 2.664 N/A VAL 89.A N ILE 9.A O no hydrogen 2.829 N/A VAL 90.A N ALA 115.A O no hydrogen 2.804 N/A ASP 91.A N ASN 98.A OD1 no hydrogen 2.893 N/A ALA 92.A N ASN 117.A O no hydrogen 2.775 N/A SER 93.A N ASP 91.A OD1 no hydrogen 2.931 N/A SER 93.A OG ASP 91.A OD1 no hydrogen 2.468 N/A SER 93.A OG ASP 91.A OD2 no hydrogen 3.197 N/A ASN 94.A N ASP 91.A O no hydrogen 3.210 N/A ASN 94.A ND2 ASP 91.A OD2 no hydrogen 3.085 N/A ASN 98.A N ASN 94.A O no hydrogen 3.140 N/A ASN 98.A ND2 ASN 94.A O no hydrogen 2.871 N/A LEU 99.A N LEU 95.A O no hydrogen 2.896 N/A THR 102.A OG1 ASN 98.A O no hydrogen 3.244 N/A LEU 103.A N LEU 99.A O no hydrogen 3.027 N/A GLN 104.A N TYR 100.A O no hydrogen 3.322 N/A GLN 104.A NE2.A GLN 204.A OE1 no hydrogen 3.206 N/A GLN 104.A NE2.B THR 64.A OG1 no hydrogen 2.742 N/A LEU 105.A N LEU 101.A O no hydrogen 3.153 N/A LEU 106.A N THR 102.A O no hydrogen 2.932 N/A GLU 107.A N LEU 103.A O no hydrogen 2.823 N/A LEU 108.A N GLN 104.A O no hydrogen 3.301 N/A GLY 109.A N LEU 106.A O no hydrogen 3.213 N/A CYS 112.A N ASN 166.A OD1 no hydrogen 2.964 N/A CYS 112.A SG.B ILE 110.A O no hydrogen 3.281 N/A ILE 113.A N LEU 86.A O no hydrogen 2.955 N/A VAL 114.A N PRO 141.A O no hydrogen 3.005 N/A ALA 115.A N ASN 88.A O no hydrogen 2.750 N/A LEU 116.A N ILE 143.A O no hydrogen 2.801 N/A ASN 117.A N VAL 90.A O no hydrogen 2.656 N/A ASN 117.A ND2 SER 14.A O.A no hydrogen 2.883 N/A ASN 117.A ND2 SER 14.A O.B no hydrogen 2.886 N/A ILE 121.A N ASP 120.A OD2 no hydrogen 2.863 N/A ALA 122.A N MET 118.A O no hydrogen 3.021 N/A GLU 123.A N LEU 119.A O no hydrogen 2.779 N/A LYS 124.A N ASP 120.A O no hydrogen 2.997 N/A GLN 125.A N ALA 122.A O no hydrogen 3.090 N/A ASN 126.A N GLU 123.A O no hydrogen 2.840 N/A ILE 127.A N ALA 122.A O no hydrogen 3.013 N/A GLU 130.A N VAL 256.A O no hydrogen 2.678 N/A LEU 134.A N GLU 130.A O no hydrogen 3.125 N/A SER 135.A N ILE 131.A O no hydrogen 3.042 N/A SER 135.A OG CYS 140.A O no hydrogen 2.638 N/A ALA 136.A N ASP 132.A O no hydrogen 2.811 N/A ARG 137.A N ALA 133.A O no hydrogen 3.246 N/A ARG 137.A NH1 ALA 133.A O no hydrogen 2.762 N/A LEU 138.A N LEU 134.A O no hydrogen 2.935 N/A GLY 139.A N SER 135.A O no hydrogen 2.830 N/A CYS 140.A SG PRO 141.A O no hydrogen 3.678 N/A ILE 143.A N VAL 114.A O no hydrogen 2.797 N/A LEU 145.A N LEU 116.A O no hydrogen 2.852 N/A VAL 146.A N ARG 151.A O no hydrogen 3.099 N/A SER 147.A N ASN 117.A OD1 no hydrogen 3.380 N/A ARG 149.A N VAL 146.A O no hydrogen 3.162 N/A GLY 150.A N VAL 146.A O no hydrogen 3.095 N/A ARG 151.A N VAL 146.A O no hydrogen 3.093 N/A LEU 156.A N GLY 152.A O no hydrogen 2.720 N/A LYS 157.A N ILE 153.A O no hydrogen 2.966 N/A LYS 157.A NZ SER 46.A O no hydrogen 2.871 N/A LEU 158.A N GLU 154.A O no hydrogen 2.919 N/A ALA 159.A N ALA 155.A O no hydrogen 3.084 N/A ILE 160.A N LEU 156.A O no hydrogen 2.970 N/A ASP 161.A N LYS 157.A O no hydrogen 3.210 N/A ARG 162.A N ALA 159.A O no hydrogen 3.238 N/A TYR 163.A N ILE 160.A O no hydrogen 3.036 N/A ASN 166.A ND2 ILE 110.A O no hydrogen 2.857 N/A GLU 167.A N GLY 139.A O no hydrogen 2.787 N/A VAL 169.A N GLU 167.A O no hydrogen 2.711 N/A HIS 173.A ND1 GLU 170.A OE1 no hydrogen 3.015 N/A HIS 173.A ND1 GLU 170.A OE2 no hydrogen 3.261 N/A TYR 174.A OH GLU 107.A OE1 no hydrogen 2.987 N/A TYR 174.A OH GLU 107.A OE2 no hydrogen 3.162 N/A GLN 176.A NE2 ASN 180.A OD1 no hydrogen 2.910 N/A LEU 179.A N ALA 175.A O no hydrogen 3.421 N/A ASN 180.A N GLN 176.A O no hydrogen 2.822 N/A GLU 181.A N PRO 177.A O no hydrogen 2.914 N/A ALA 182.A N LEU 178.A O no hydrogen 2.948 N/A ASP 183.A N LEU 179.A O no hydrogen 3.033 N/A SER 184.A N ASN 180.A O no hydrogen 3.049 N/A SER 184.A OG ASN 180.A O no hydrogen 3.151 N/A LEU 185.A N GLU 181.A O no hydrogen 3.082 N/A ALA 186.A N ALA 182.A O no hydrogen 2.922 N/A LYS 187.A N ASP 183.A O no hydrogen 2.926 N/A VAL 188.A N LEU 185.A O no hydrogen 3.196 N/A MET 189.A N ALA 186.A O no hydrogen 3.104 N/A ILE 193.A N PRO 190.A O no hydrogen 3.277 N/A LYS 196.A NZ LEU 106.A O no hydrogen 3.058 N/A LYS 196.A NZ ASN 168.A OD1 no hydrogen 3.456 N/A ARG 198.A N PRO 194.A O no hydrogen 2.970 N/A ARG 198.A NE ILE 193.A O no hydrogen 2.787 N/A ARG 198.A NH1 ALA 186.A O no hydrogen 2.988 N/A ARG 199.A N LEU 195.A O no hydrogen 2.895 N/A ARG 199.A NE ASP 183.A OD2 no hydrogen 2.818 N/A ARG 199.A NH2 ASP 183.A OD2 no hydrogen 3.357 N/A TRP 200.A N LYS 196.A O no hydrogen 2.904 N/A LEU 201.A N GLN 197.A O no hydrogen 2.887 N/A GLY 202.A N ARG 198.A O no hydrogen 2.923 N/A LEU 203.A N ARG 199.A O no hydrogen 3.206 N/A GLN 204.A N TRP 200.A O no hydrogen 3.032 N/A GLN 204.A NE2 THR 64.A OG1 no hydrogen 2.774 N/A GLN 204.A NE2 ASP 209.A OD2 no hydrogen 2.871 N/A MET 205.A N LEU 201.A O no hydrogen 2.863 N/A LEU 206.A N GLY 202.A O no hydrogen 3.088 N/A GLU 207.A N LEU 203.A O no hydrogen 2.960 N/A GLY 208.A N MET 205.A O no hydrogen 2.961 N/A ASP 209.A N GLN 204.A O no hydrogen 2.969 N/A TYR 211.A OH TYR 215.A OH no hydrogen 3.222 N/A SER 212.A N ASP 209.A OD1 no hydrogen 3.370 N/A SER 212.A OG.A ASP 209.A O no hydrogen 2.722 N/A ARG 213.A N ILE 210.A O no hydrogen 3.149 N/A ALA 214.A N TYR 211.A O no hydrogen 3.060 N/A TYR 215.A N SER 212.A O no hydrogen 3.226 N/A TYR 215.A OH TYR 211.A OH no hydrogen 3.222 N/A ALA 216.A N ARG 213.A O no hydrogen 3.352 N/A ALA 219.A N ALA 216.A O no hydrogen 2.985 N/A GLN 221.A N GLU 218.A O no hydrogen 3.312 N/A HIS 222.A N ALA 219.A O no hydrogen 2.865 N/A ALA 226.A N HIS 222.A O no hydrogen 3.262 N/A LEU 227.A N LEU 223.A O no hydrogen 2.916 N/A ALA 228.A N ASP 224.A O no hydrogen 2.938 N/A ARG 229.A N ALA 225.A O no hydrogen 3.304 N/A ARG 229.A NE GLU 181.A OE2 no hydrogen 2.909 N/A ARG 229.A NH2 GLU 181.A OE1 no hydrogen 3.107 N/A LEU 230.A N ALA 226.A O no hydrogen 3.250 N/A ARG 231.A N LEU 227.A O no hydrogen 3.110 N/A ASN 232.A N ALA 228.A O no hydrogen 3.379 N/A GLU 233.A N ARG 229.A O no hydrogen 3.164 N/A GLU 233.A N LEU 230.A O no hydrogen 3.093 N/A MET 234.A N LEU 230.A O no hydrogen 2.951 N/A HIS 240.A N ASP 236.A O no hydrogen 2.969 N/A ILE 241.A N PRO 237.A O no hydrogen 3.055 N/A ALA 242.A N ALA 238.A O no hydrogen 3.192 N/A ASP 243.A N LEU 239.A O no hydrogen 2.837 N/A ALA 244.A N HIS 240.A O no hydrogen 2.988 N/A ARG 245.A N ILE 241.A O no hydrogen 3.254 N/A ARG 245.A NE TYR 174.A OH no hydrogen 3.006 N/A ARG 245.A NH1 TYR 100.A OH no hydrogen 3.417 N/A ARG 245.A NH1 GLN 204.A OE1 no hydrogen 3.060 N/A ARG 245.A NH2 TYR 174.A OH no hydrogen 3.549 N/A ARG 245.A NH2 GLN 204.A OE1 no hydrogen 2.862 N/A TYR 246.A N ALA 242.A O no hydrogen 3.129 N/A TYR 246.A OH TYR 61.A OH no hydrogen 2.960 N/A GLN 247.A N ASP 243.A O no hydrogen 2.758 N/A CYS 248.A N ALA 244.A O no hydrogen 3.083 N/A CYS 248.A SG LEU 171.A O no hydrogen 3.334 N/A ILE 249.A N ARG 245.A O no hydrogen 3.038 N/A ALA 250.A N TYR 246.A O no hydrogen 3.054 N/A ALA 251.A N GLN 247.A O no hydrogen 3.056 N/A ILE 252.A N CYS 248.A O no hydrogen 3.066 N/A CYS 253.A N ILE 249.A O no hydrogen 2.981 N/A CYS 253.A SG ILE 249.A O no hydrogen 3.320 N/A ASP 254.A N ALA 250.A O no hydrogen 2.904 N/A VAL 256.A N ILE 252.A O no hydrogen 3.027 N/A SER 257.A N CYS 253.A O no hydrogen 2.986 N/A ASN 258.A N ARG 128.A O no hydrogen 3.076 N/A