Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i3x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N VAL 21.A O no hydrogen 2.963 N/A HIS 4.A ND1 THR 6.A OG1 no hydrogen 2.733 N/A THR 6.A N HIS 4.A ND1 no hydrogen 3.455 N/A THR 6.A OG1 HIS 4.A ND1 no hydrogen 2.733 N/A ALA 7.A N HIS 4.A O no hydrogen 3.308 N/A ILE 8.A N SER 25.A O no hydrogen 2.954 N/A ASP 10.A N ILE 27.A O no hydrogen 2.959 N/A LYS 12.A N ASP 10.A OD1 no hydrogen 2.751 N/A ALA 13.A N ASP 10.A O no hydrogen 3.310 N/A GLU 14.A N VAL 31.A O no hydrogen 2.644 N/A HIS 16.A N ILE 33.A O no hydrogen 2.959 N/A SER 18.A N HIS 16.A ND1 no hydrogen 3.048 N/A SER 18.A OG HIS 16.A ND1 no hydrogen 2.630 N/A GLU 20.A N THR 37.A O no hydrogen 3.308 N/A SER 25.A OG GLY 22.A O no hydrogen 3.464 N/A SER 25.A OG GLU 40.A O no hydrogen 2.823 N/A ILE 26.A N VAL 43.A O no hydrogen 2.874 N/A ILE 27.A N ILE 8.A O no hydrogen 2.815 N/A GLU 28.A N ILE 45.A O no hydrogen 3.038 N/A SER 32.A N SER 49.A O no hydrogen 2.953 N/A ILE 33.A N GLU 14.A O no hydrogen 2.916 N/A GLN 34.A N ILE 51.A O no hydrogen 2.937 N/A GLY 36.A N SER 18.A OG no hydrogen 3.067 N/A THR 37.A OG1 GLY 52.A O no hydrogen 2.764 N/A ILE 38.A N ASN 55.A O no hydrogen 2.916 N/A ILE 39.A N GLU 20.A O no hydrogen 2.711 N/A GLU 40.A N PHE 57.A O no hydrogen 2.871 N/A HIS 42.A N PRO 23.A O no hydrogen 2.985 N/A VAL 43.A N SER 25.A OG no hydrogen 3.159 N/A LYS 44.A N ALA 61.A O no hydrogen 3.055 N/A ILE 45.A N ILE 26.A O no hydrogen 3.003 N/A CYS 46.A N ILE 63.A O no hydrogen 2.815 N/A CYS 46.A SG ILE 63.A O no hydrogen 3.507 N/A ALA 47.A N GLU 28.A OE1 no hydrogen 2.840 N/A GLY 48.A N ASN 30.A O no hydrogen 2.951 N/A SER 49.A OG CYS 46.A O no hydrogen 2.701 N/A GLU 50.A N THR 80.A O no hydrogen 2.783 N/A ILE 51.A N SER 32.A O no hydrogen 2.625 N/A GLY 52.A N ILE 82.A O no hydrogen 2.963 N/A LYS 53.A N ASP 84.A OD1 no hydrogen 3.049 N/A PHE 54.A N GLU 35.A O no hydrogen 2.901 N/A ASN 55.A N THR 37.A OG1 no hydrogen 3.188 N/A ASN 55.A ND2 GLY 83.A O no hydrogen 2.733 N/A ARG 56.A N ASN 86.A O no hydrogen 2.959 N/A ARG 56.A NE GLU 40.A OE2 no hydrogen 3.477 N/A ARG 56.A NH2 GLU 40.A OE2 no hydrogen 3.123 N/A PHE 57.A N ILE 38.A O no hydrogen 2.956 N/A HIS 58.A N PHE 88.A O no hydrogen 2.829 N/A GLN 59.A N GLU 40.A OE1 no hydrogen 2.942 N/A GLN 59.A NE2 TYR 91.A OH no hydrogen 3.199 N/A GLY 60.A N GLY 41.A O no hydrogen 3.113 N/A ALA 61.A N HIS 58.A O no hydrogen 3.250 N/A VAL 62.A N SER 92.A O no hydrogen 2.946 N/A ILE 63.A N LYS 44.A O no hydrogen 2.781 N/A VAL 65.A N ILE 94.A O no hydrogen 3.228 N/A GLY 71.A N ASP 69.A OD2 no hydrogen 2.907 N/A PHE 72.A N ASP 69.A O no hydrogen 3.161 N/A LEU 76.A N ASN 73.A O no hydrogen 3.081 N/A THR 78.A OG1 GLY 97.A O no hydrogen 2.746 N/A LYS 79.A NZ LEU 77.A O no hydrogen 3.349 N/A THR 80.A N GLY 48.A O no hydrogen 3.032 N/A VAL 81.A N THR 104.A O no hydrogen 2.725 N/A ILE 82.A N GLU 50.A O no hydrogen 3.000 N/A GLY 83.A N ILE 106.A O no hydrogen 2.914 N/A GLY 83.A N GLY 107.A O no hydrogen 3.102 N/A ASP 84.A N ASN 108.A OD1 no hydrogen 2.936 N/A HIS 85.A N LYS 53.A O no hydrogen 2.900 N/A ASN 86.A N ASN 55.A OD1 no hydrogen 2.761 N/A ASN 86.A ND2 ASN 55.A OD1 no hydrogen 3.238 N/A ASN 86.A ND2 GLY 107.A O no hydrogen 2.788 N/A ILE 87.A N ASN 110.A O no hydrogen 2.907 N/A PHE 88.A N ARG 56.A O no hydrogen 2.828 N/A ARG 89.A N PHE 112.A O no hydrogen 2.784 N/A ARG 89.A NE GLU 90.A OE1 no hydrogen 2.955 N/A ARG 89.A NH1 TYR 111.A OH no hydrogen 3.207 N/A ARG 89.A NH2 GLU 90.A OE1 no hydrogen 3.116 N/A ARG 89.A NH2 GLU 90.A OE2 no hydrogen 3.517 N/A GLU 90.A N GLU 90.A OE1 no hydrogen 2.657 N/A TYR 91.A N GLN 59.A O no hydrogen 3.129 N/A SER 92.A N ARG 89.A O no hydrogen 3.057 N/A SER 92.A OG ARG 89.A O no hydrogen 2.790 N/A ASN 93.A N.A SER 116.A O no hydrogen 2.894 N/A ASN 93.A N.B SER 116.A O no hydrogen 2.910 N/A ASN 93.A ND2.B TYR 91.A O no hydrogen 3.480 N/A ILE 94.A N VAL 62.A O no hydrogen 2.890 N/A HIS 95.A N VAL 118.A O no hydrogen 3.014 N/A LYS 96.A N VAL 65.A O no hydrogen 3.018 N/A GLY 97.A N LYS 79.A O no hydrogen 3.173 N/A THR 98.A N ASP 121.A OD1 no hydrogen 3.018 N/A THR 98.A OG1 ASP 121.A OD1 no hydrogen 3.542 N/A THR 98.A OG1 ASP 121.A OD2 no hydrogen 2.582 N/A GLU 100.A N GLU 100.A OE2 no hydrogen 2.820 N/A SER 102.A N LYS 99.A O no hydrogen 3.004 N/A SER 102.A OG ASP 121.A OD1 no hydrogen 2.585 N/A THR 104.A N LYS 79.A O no hydrogen 3.107 N/A THR 104.A OG1 HIS 95.A O no hydrogen 2.686 N/A VAL 105.A N CYS 122.A O no hydrogen 2.973 N/A ILE 106.A N VAL 81.A O no hydrogen 2.749 N/A GLY 107.A N LEU 124.A O no hydrogen 3.053 N/A GLY 107.A N GLY 125.A O no hydrogen 3.185 N/A ASN 108.A N ASN 126.A OD1 no hydrogen 2.864 N/A LYS 109.A N ASP 84.A O no hydrogen 2.884 N/A ASN 110.A N ASN 86.A OD1 no hydrogen 2.901 N/A ASN 110.A ND2 ASN 86.A OD1 no hydrogen 2.949 N/A ASN 110.A ND2 GLY 125.A O no hydrogen 3.018 N/A TYR 111.A N ASN 128.A O no hydrogen 2.923 N/A PHE 112.A N ILE 87.A O no hydrogen 2.784 N/A MET 113.A N LEU 130.A O no hydrogen 2.806 N/A ASN 115.A N GLU 90.A O no hydrogen 2.984 N/A SER 116.A N MET 113.A O no hydrogen 3.179 N/A SER 116.A OG MET 113.A O no hydrogen 2.769 N/A HIS 117.A N ALA 134.A O no hydrogen 2.850 N/A HIS 117.A ND1 ASN 93.A OD1.B no hydrogen 2.352 N/A VAL 118.A N ASN 93.A O.A no hydrogen 3.002 N/A VAL 118.A N ASN 93.A O.B no hydrogen 3.066 N/A GLY 119.A N LEU 136.A O no hydrogen 2.976 N/A HIS 120.A ND1 ASP 121.A OD2 no hydrogen 2.813 N/A ASP 121.A N THR 104.A OG1 no hydrogen 2.982 N/A CYS 122.A N GLY 119.A O no hydrogen 3.304 N/A CYS 122.A SG GLY 119.A O no hydrogen 3.326 N/A CYS 122.A SG ALA 137.A O no hydrogen 2.965 N/A ILE 123.A N VAL 140.A O no hydrogen 2.899 N/A LEU 124.A N VAL 105.A O no hydrogen 2.748 N/A GLY 125.A N LEU 142.A O no hydrogen 3.060 N/A ASN 126.A N ASN 144.A OD1 no hydrogen 2.779 N/A ASN 127.A N ASN 108.A O no hydrogen 2.887 N/A ASN 128.A N ASN 110.A OD1 no hydrogen 2.928 N/A ASN 128.A ND2 ASN 110.A OD1 no hydrogen 3.181 N/A ASN 128.A ND2 GLY 143.A O no hydrogen 2.799 N/A ILE 129.A N ALA 146.A O no hydrogen 2.852 N/A LEU 130.A N TYR 111.A O no hydrogen 2.835 N/A THR 131.A N ILE 148.A O no hydrogen 2.829 N/A THR 131.A OG1 ILE 148.A O no hydrogen 2.896 N/A GLY 133.A N GLY 114.A O no hydrogen 3.133 N/A ALA 134.A N THR 131.A O no hydrogen 3.068 N/A VAL 135.A N VAL 152.A O no hydrogen 2.875 N/A LEU 136.A N HIS 117.A O no hydrogen 2.818 N/A ALA 137.A N VAL 154.A O no hydrogen 2.968 N/A HIS 139.A N HIS 120.A O no hydrogen 2.951 N/A THR 141.A N CYS 158.A O no hydrogen 3.008 N/A LEU 142.A N ILE 123.A O no hydrogen 2.798 N/A GLY 143.A N VAL 160.A O no hydrogen 3.021 N/A ASN 144.A N ASP 162.A OD1 no hydrogen 2.641 N/A PHE 145.A N ASN 126.A O no hydrogen 2.862 N/A ALA 146.A N ASN 128.A OD1 no hydrogen 2.710 N/A PHE 147.A N SER 164.A O no hydrogen 2.900 N/A ILE 148.A N ILE 129.A O no hydrogen 2.789 N/A SER 149.A N VAL 166.A O no hydrogen 2.775 N/A GLY 150.A N SER 149.A OG no hydrogen 2.682 N/A LEU 151.A N HIS 132.A O no hydrogen 2.992 N/A ALA 153.A N ALA 170.A O no hydrogen 3.260 N/A VAL 154.A N VAL 135.A O no hydrogen 2.943 N/A HIS 155.A N VAL 172.A O no hydrogen 2.950 N/A HIS 155.A ND1 GLN 156.A O no hydrogen 2.903 N/A PHE 157.A N HIS 139.A O no hydrogen 3.059 N/A CYS 158.A N HIS 155.A O no hydrogen 3.390 N/A CYS 158.A SG HIS 155.A O no hydrogen 3.406 N/A PHE 159.A N ASP 175.A OD1 no hydrogen 2.964 N/A VAL 160.A N THR 141.A O no hydrogen 2.716 N/A GLY 161.A N VAL 176.A O no hydrogen 2.699 N/A ASP 162.A N TYR 243.A OH no hydrogen 2.983 N/A TYR 163.A N ASN 144.A O no hydrogen 3.063 N/A SER 164.A OG GLY 161.A O no hydrogen 2.715 N/A MET 165.A N SER 180.A O no hydrogen 2.796 N/A VAL 166.A N PHE 147.A O no hydrogen 2.910 N/A ALA 167.A N VAL 182.A O no hydrogen 2.971 N/A ALA 170.A N ALA 167.A O no hydrogen 3.367 N/A LYS 171.A N GLY 184.A O no hydrogen 2.924 N/A VAL 172.A N ALA 153.A O no hydrogen 2.939 N/A GLN 174.A NE2 ARG 253.A O no hydrogen 2.950 N/A ASP 175.A N GLY 254.A O no hydrogen 3.015 N/A VAL 176.A N PHE 159.A O no hydrogen 2.943 N/A TYR 179.A N ASP 162.A O no hydrogen 2.880 N/A SER 180.A OG PRO 178.A O no hydrogen 2.954 N/A THR 181.A N GLY 191.A O no hydrogen 2.807 N/A VAL 182.A N MET 165.A O no hydrogen 2.818 N/A ASP 183.A N THR 188.A O no hydrogen 3.004 N/A SER 187.A OG LYS 171.A O no hydrogen 2.813 N/A THR 188.A N ASP 183.A O no hydrogen 2.951 N/A VAL 189.A N ASN 257.A O no hydrogen 2.779 N/A VAL 190.A N THR 181.A O no hydrogen 2.752 N/A ASN 193.A N TYR 179.A O no hydrogen 2.706 N/A ASN 193.A ND2 TYR 163.A O no hydrogen 2.635 N/A GLY 196.A N ASN 193.A OD1 no hydrogen 3.157 N/A MET 197.A N ASN 193.A O no hydrogen 3.074 N/A LYS 198.A N SER 194.A O no hydrogen 2.844 N/A ARG 199.A N VAL 195.A O no hydrogen 2.907 N/A ALA 200.A N GLY 196.A O no hydrogen 2.991 N/A GLY 201.A N LYS 198.A O no hydrogen 2.684 N/A PHE 202.A N MET 197.A O no hydrogen 2.987 N/A SER 203.A OG GLU 205.A OE1 no hydrogen 3.430 N/A VAL 206.A N SER 203.A OG no hydrogen 3.205 N/A ARG 207.A N SER 203.A O no hydrogen 3.022 N/A ARG 207.A NE PHE 202.A O no hydrogen 3.343 N/A ASN 208.A N PRO 204.A O no hydrogen 2.833 N/A ALA 209.A N GLU 205.A O no hydrogen 2.990 N/A ILE 210.A N VAL 206.A O no hydrogen 2.851 N/A LYS 211.A N ARG 207.A O no hydrogen 2.882 N/A HIS 212.A N ASN 208.A O no hydrogen 2.769 N/A ALA 213.A N ALA 209.A O no hydrogen 2.884 N/A TYR 214.A N ILE 210.A O no hydrogen 3.104 N/A TYR 214.A OH PRO 178.A O no hydrogen 2.706 N/A LYS 215.A N LYS 211.A O no hydrogen 2.873 N/A VAL 216.A N HIS 212.A O no hydrogen 3.036 N/A ILE 217.A N ALA 213.A O no hydrogen 3.073 N/A TYR 218.A N TYR 214.A O no hydrogen 2.776 N/A HIS 219.A N LYS 215.A O no hydrogen 2.695 N/A SER 220.A OG LYS 215.A O no hydrogen 3.357 N/A LYS 226.A N SER 223.A OG no hydrogen 3.259 N/A ALA 227.A N SER 223.A O no hydrogen 2.861 N/A LEU 228.A N THR 224.A O no hydrogen 3.015 N/A ASP 229.A N ARG 225.A O no hydrogen 3.343 N/A GLU 230.A N LYS 226.A O no hydrogen 2.965 N/A LEU 231.A N ALA 227.A O no hydrogen 3.137 N/A GLU 232.A N LEU 228.A O no hydrogen 3.215 N/A ALA 233.A N ASP 229.A O no hydrogen 3.039 N/A SER 234.A N LEU 231.A O no hydrogen 3.241 N/A GLY 235.A N GLU 232.A O no hydrogen 3.204 N/A GLN 240.A N GLN 240.A OE1 no hydrogen 2.706 N/A LYS 242.A N ILE 238.A O no hydrogen 3.029 N/A TYR 243.A N GLU 239.A O no hydrogen 2.869 N/A ILE 244.A N GLN 240.A O no hydrogen 2.927 N/A ILE 245.A N VAL 241.A O no hydrogen 2.993 N/A LYS 246.A N LYS 242.A O no hydrogen 2.936 N/A LYS 246.A NZ ASP 250.A OD2 no hydrogen 2.802 N/A PHE 247.A N TYR 243.A O no hydrogen 2.862 N/A PHE 248.A N ILE 244.A O no hydrogen 3.124 N/A ARG 249.A N ILE 245.A O no hydrogen 3.046 N/A ARG 249.A NH1 ASP 229.A OD1 no hydrogen 3.511 N/A ARG 249.A NH2 ASP 229.A OD1 no hydrogen 3.106 N/A ARG 249.A NH2 GLU 232.A OE2 no hydrogen 2.791 N/A ASP 250.A N LYS 246.A O no hydrogen 2.850 N/A SER 251.A OG ASP 175.A OD2 no hydrogen 2.854 N/A ARG 253.A NE VAL 173.A O no hydrogen 2.897 N/A ARG 253.A NH2 VAL 173.A O no hydrogen 3.053 N/A THR 256.A N ASP 175.A O no hydrogen 2.932 N/A THR 256.A OG1 ASP 175.A O no hydrogen 2.722 N/A HIS 258.A ND1 ARG 259.A O no hydrogen 2.906 N/A ARG 259.A N VAL 189.A O no hydrogen 2.854 N/A ARG 259.A NE THR 188.A OG1 no hydrogen 3.158 N/A ARG 259.A NH2 ASP 183.A OD2 no hydrogen 3.003 N/A