Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5jec_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE GLY 18.A O no hydrogen 3.469 N/A ARG 3.A NH1 LEU 15.A O no hydrogen 2.653 N/A ILE 4.A N ILE 19.A O no hydrogen 2.869 N/A SER 5.A N GLY 53.A O no hydrogen 2.909 N/A SER 5.A OG ASP 12.A OD2 no hydrogen 2.726 N/A THR 6.A N ASP 12.A OD1 no hydrogen 2.907 N/A THR 6.A OG1 ASP 12.A OD1 no hydrogen 2.727 N/A GLY 7.A N SER 5.A OG no hydrogen 3.303 N/A SER 8.A N THR 6.A OG1 no hydrogen 3.276 N/A SER 8.A OG ASP 226.A OD1 no hydrogen 2.722 N/A SER 10.A N ASP 226.A OD1 no hydrogen 2.843 N/A SER 10.A OG SER 8.A OG no hydrogen 3.329 N/A SER 10.A OG VAL 216.A O no hydrogen 2.707 N/A SER 10.A OG ASP 226.A OD1 no hydrogen 3.084 N/A LEU 11.A N SER 8.A OG no hydrogen 3.397 N/A ASP 12.A N SER 8.A O no hydrogen 3.046 N/A LYS 13.A N LYS 9.A O no hydrogen 3.117 N/A LEU 14.A N SER 10.A O no hydrogen 3.232 N/A LEU 15.A N LEU 11.A O no hydrogen 3.082 N/A GLY 16.A N LYS 13.A O no hydrogen 3.137 N/A GLY 17.A N ASP 12.A O no hydrogen 2.744 N/A ILE 19.A N ILE 4.A O no hydrogen 2.904 N/A THR 21.A OG1 ASP 167.A OD1 no hydrogen 2.652 N/A GLN 22.A N ILE 168.A O no hydrogen 2.790 N/A GLN 22.A NE2 ASP 167.A OD1 no hydrogen 2.795 N/A ILE 24.A N THR 187.A OG1 no hydrogen 2.858 N/A THR 25.A N VAL 170.A O no hydrogen 2.784 N/A GLU 26.A N LEU 188.A O no hydrogen 2.823 N/A VAL 27.A N VAL 172.A O no hydrogen 2.998 N/A PHE 28.A N VAL 190.A O no hydrogen 2.886 N/A GLY 29.A N ASN 174.A O no hydrogen 3.258 N/A SER 33.A N GLU 30.A O no hydrogen 3.398 N/A SER 33.A OG GLU 30.A O no hydrogen 2.785 N/A LYS 35.A NZ GLY 29.A O no hydrogen 2.976 N/A THR 36.A OG1 ASP 129.A OD1 no hydrogen 3.473 N/A THR 36.A OG1 ASP 129.A OD2 no hydrogen 2.882 N/A LEU 38.A N GLY 34.A O no hydrogen 3.062 N/A ALA 39.A N LYS 35.A O no hydrogen 3.151 N/A HIS 40.A N THR 36.A O no hydrogen 2.913 N/A HIS 40.A ND1 THR 36.A O no hydrogen 2.870 N/A THR 41.A N GLN 37.A O no hydrogen 3.043 N/A THR 41.A OG1 GLN 37.A O no hydrogen 2.823 N/A LEU 42.A N LEU 38.A O no hydrogen 3.036 N/A ALA 43.A N ALA 39.A O no hydrogen 3.175 N/A VAL 44.A N THR 41.A O no hydrogen 3.138 N/A MET 45.A N THR 41.A O no hydrogen 2.804 N/A VAL 46.A N LEU 42.A O no hydrogen 2.988 N/A GLN 47.A N VAL 44.A O no hydrogen 3.175 N/A GLN 47.A NE2 ALA 43.A O no hydrogen 3.083 N/A GLN 47.A NE2 VAL 87.A O no hydrogen 3.181 N/A LEU 48.A N MET 45.A O no hydrogen 3.146 N/A GLU 52.A N PRO 49.A O no hydrogen 2.915 N/A GLY 53.A N PRO 50.A O no hydrogen 2.928 N/A GLY 54.A N PRO 49.A O no hydrogen 3.161 N/A LEU 55.A N VAL 46.A O no hydrogen 3.027 N/A ASN 56.A N LEU 48.A O no hydrogen 2.906 N/A GLY 57.A N VAL 46.A O no hydrogen 2.934 N/A LYS 58.A N PRO 122.A O no hydrogen 2.814 N/A LYS 58.A NZ ARG 121.A O no hydrogen 2.962 N/A ALA 59.A N ASN 90.A O no hydrogen 2.927 N/A MET 60.A N LEU 125.A O no hydrogen 2.870 N/A TYR 61.A N ALA 92.A O no hydrogen 2.767 N/A TYR 61.A OH ASP 129.A OD2 no hydrogen 2.679 N/A ILE 62.A N ILE 127.A O no hydrogen 2.732 N/A ASP 63.A N ALA 94.A O no hydrogen 2.942 N/A THR 64.A N ASP 129.A O no hydrogen 2.913 N/A THR 64.A OG1 SER 130.A O no hydrogen 3.014 N/A THR 64.A OG1 SER 133.A OG no hydrogen 2.902 N/A GLU 65.A N ASP 63.A OD1 no hydrogen 3.332 N/A GLY 66.A N ASP 63.A OD1 no hydrogen 2.872 N/A THR 67.A N ASP 63.A OD1 no hydrogen 2.993 N/A THR 67.A OG1 ASP 63.A OD1 no hydrogen 3.244 N/A THR 67.A OG1 ASP 129.A OD2 no hydrogen 3.097 N/A PHE 68.A N ASP 63.A OD2 no hydrogen 3.034 N/A ARG 69.A N HIS 40.A NE2 no hydrogen 2.895 N/A ARG 69.A NH1 GLY 66.A O no hydrogen 2.903 N/A ARG 69.A NH1 PHE 68.A O no hydrogen 2.863 N/A ARG 72.A N ARG 69.A O no hydrogen 2.974 N/A ARG 72.A NE GLN 37.A OE1 no hydrogen 2.684 N/A ARG 72.A NH1 GLN 37.A OE1 no hydrogen 3.094 N/A ARG 72.A NH1 THR 220.A O no hydrogen 2.739 N/A ARG 72.A NH2 GLU 75.A OE1 no hydrogen 3.055 N/A ARG 72.A NH2 THR 220.A O no hydrogen 3.301 N/A ARG 72.A NH2 GLU 221.A O no hydrogen 3.520 N/A LEU 73.A N ARG 69.A O no hydrogen 3.233 N/A LEU 74.A N PRO 70.A O no hydrogen 3.076 N/A GLU 75.A N GLU 71.A O no hydrogen 3.082 N/A ILE 76.A N ARG 72.A O no hydrogen 2.950 N/A ALA 77.A N LEU 73.A O no hydrogen 2.949 N/A GLN 78.A N LEU 74.A O no hydrogen 2.952 N/A ASN 79.A N GLU 75.A O no hydrogen 3.052 N/A ASN 79.A ND2 GLU 75.A O no hydrogen 2.914 N/A ARG 80.A N ALA 77.A O no hydrogen 3.214 N/A ARG 80.A NE LYS 222.A O no hydrogen 2.791 N/A ARG 80.A NH2 LYS 222.A O no hydrogen 2.816 N/A GLY 81.A N GLN 78.A O no hydrogen 3.221 N/A LEU 82.A N ALA 77.A O no hydrogen 2.814 N/A SER 85.A OG SER 83.A OG no hydrogen 2.676 N/A ASP 86.A N SER 83.A OG no hydrogen 3.296 N/A VAL 87.A N SER 83.A O no hydrogen 3.349 N/A LEU 88.A N GLY 84.A O no hydrogen 3.337 N/A ASP 89.A N SER 85.A O no hydrogen 3.175 N/A ASN 90.A N ASP 86.A O no hydrogen 3.064 N/A ASN 90.A N VAL 87.A O no hydrogen 3.176 N/A ASN 90.A ND2 GLN 47.A OE1 no hydrogen 2.978 N/A VAL 91.A N LEU 88.A O no hydrogen 3.453 N/A ALA 92.A N ALA 59.A O no hydrogen 2.794 N/A TYR 93.A OH ASP 63.A OD2 no hydrogen 3.182 N/A ALA 94.A N TYR 61.A O no hydrogen 3.048 N/A ARG 95.A NH2 ASP 63.A O no hydrogen 3.419 N/A ARG 95.A NH2 THR 64.A O no hydrogen 3.035 N/A ALA 96.A N ASP 63.A O no hydrogen 2.783 N/A SER 99.A N GLU 138.A OE1 no hydrogen 2.858 N/A SER 99.A OG GLU 138.A OE2 no hydrogen 2.664 N/A HIS 101.A N ASN 98.A OD1 no hydrogen 2.942 N/A GLN 102.A N ASN 98.A O no hydrogen 3.057 N/A GLN 102.A NE2 LEU 131.A O no hydrogen 2.842 N/A GLN 102.A NE2 HIS 155.A NE2 no hydrogen 3.063 N/A MET 103.A N SER 99.A O no hydrogen 2.988 N/A LEU 104.A N ASN 100.A O no hydrogen 2.990 N/A LEU 105.A N HIS 101.A O no hydrogen 2.835 N/A VAL 106.A N MET 103.A O no hydrogen 3.239 N/A GLN 107.A N LEU 104.A O no hydrogen 2.946 N/A GLN 108.A N LEU 104.A O no hydrogen 3.257 N/A ALA 109.A N LEU 105.A O no hydrogen 2.831 N/A SER 110.A N VAL 106.A O no hydrogen 3.258 N/A SER 110.A OG TYR 166.A OH no hydrogen 3.388 N/A ASP 111.A N GLN 107.A O no hydrogen 3.085 N/A MET 112.A N GLN 108.A O no hydrogen 3.160 N/A MET 113.A N ALA 109.A O no hydrogen 3.044 N/A MET 113.A N SER 110.A O no hydrogen 3.269 N/A VAL 114.A N SER 110.A O no hydrogen 3.017 N/A LEU 116.A N MET 113.A O no hydrogen 3.257 N/A THR 119.A N LEU 116.A O no hydrogen 2.976 N/A THR 119.A OG1 LEU 116.A O no hydrogen 2.684 N/A ARG 121.A NH1 GLN 47.A O no hydrogen 3.285 N/A ARG 121.A NH2 GLN 47.A O no hydrogen 3.376 N/A LYS 124.A N LYS 58.A O no hydrogen 2.810 N/A LYS 124.A NZ ASP 167.A O no hydrogen 3.004 N/A LEU 125.A N LYS 58.A O no hydrogen 3.256 N/A LEU 126.A N ALA 169.A O no hydrogen 2.879 N/A ILE 127.A N MET 60.A O no hydrogen 2.771 N/A VAL 128.A N PHE 171.A O no hydrogen 3.036 N/A ASP 129.A N ILE 62.A O no hydrogen 2.843 N/A SER 130.A N THR 64.A OG1 no hydrogen 2.981 N/A SER 130.A OG SER 133.A OG no hydrogen 3.144 N/A LEU 131.A N THR 173.A O no hydrogen 3.002 N/A THR 132.A OG1 ASN 174.A OD1 no hydrogen 2.694 N/A SER 133.A OG THR 64.A OG1 no hydrogen 2.902 N/A SER 133.A OG GLU 65.A OE2 no hydrogen 2.702 N/A SER 133.A OG SER 130.A OG no hydrogen 3.144 N/A HIS 134.A NE2 ALA 96.A O no hydrogen 2.791 N/A ARG 136.A N THR 132.A O no hydrogen 2.984 N/A SER 137.A N SER 133.A O no hydrogen 3.163 N/A GLU 138.A N HIS 134.A O no hydrogen 3.063 N/A ALA 144.A N GLY 141.A O no hydrogen 3.293 N/A ARG 148.A N ALA 144.A O no hydrogen 2.988 N/A GLN 149.A N LEU 145.A O no hydrogen 3.165 N/A GLN 149.A NE2 ALA 183.A O no hydrogen 2.975 N/A GLN 150.A N ALA 146.A O no hydrogen 3.092 N/A LYS 151.A N GLU 147.A O no hydrogen 2.892 N/A LYS 151.A NZ GLU 147.A OE2 no hydrogen 3.208 N/A LEU 152.A N ARG 148.A O no hydrogen 3.137 N/A ALA 153.A N GLN 149.A O no hydrogen 2.801 N/A LYS 154.A N GLN 150.A O no hydrogen 3.148 N/A HIS 155.A N LYS 151.A O no hydrogen 2.957 N/A LEU 156.A N LEU 152.A O no hydrogen 2.997 N/A ALA 157.A N ALA 153.A O no hydrogen 3.065 N/A ASP 158.A N LYS 154.A O no hydrogen 2.926 N/A LEU 159.A N HIS 155.A O no hydrogen 3.130 N/A HIS 160.A N LEU 156.A O no hydrogen 3.025 N/A ARG 161.A N ALA 157.A O no hydrogen 3.043 N/A LEU 162.A N ASP 158.A O no hydrogen 3.081 N/A ALA 163.A N LEU 159.A O no hydrogen 2.892 N/A ASN 164.A N HIS 160.A O no hydrogen 3.131 N/A ASN 164.A ND2 GLN 22.A O no hydrogen 3.547 N/A LEU 165.A N ARG 161.A O no hydrogen 2.896 N/A TYR 166.A N LEU 162.A O no hydrogen 3.119 N/A TYR 166.A OH SER 110.A OG no hydrogen 3.388 N/A ILE 168.A N ALA 163.A O no hydrogen 3.184 N/A ALA 169.A N LYS 124.A O no hydrogen 2.833 N/A VAL 170.A N ALA 23.A O no hydrogen 3.091 N/A PHE 171.A N LEU 126.A O no hydrogen 2.842 N/A VAL 172.A N THR 25.A O no hydrogen 2.821 N/A THR 173.A N VAL 128.A O no hydrogen 3.170 N/A THR 173.A OG1 ASP 129.A OD1 no hydrogen 2.650 N/A ASN 174.A N VAL 27.A O no hydrogen 3.001 N/A ASN 174.A ND2 GLU 26.A OE1 no hydrogen 3.031 N/A VAL 176.A N GLY 29.A O no hydrogen 3.223 N/A ALA 178.A N GLU 30.A OE2 no hydrogen 2.752 N/A HIS 184.A ND1 LEU 182.A O no hydrogen 2.691 N/A HIS 184.A NE2 GLU 26.A OE2 no hydrogen 2.561 N/A THR 187.A N ILE 24.A O no hydrogen 2.797 N/A THR 187.A OG1 ILE 24.A O no hydrogen 3.539 N/A LEU 188.A N ILE 24.A O no hydrogen 3.101 N/A VAL 190.A N GLU 26.A O no hydrogen 2.833 N/A TYR 191.A N ARG 203.A O no hydrogen 2.868 N/A LEU 192.A N PHE 28.A O no hydrogen 2.860 N/A ARG 193.A N ILE 201.A O no hydrogen 3.030 N/A LYS 194.A NZ GLY 32.A O no hydrogen 3.329 N/A GLY 197.A N GLY 195.A O no hydrogen 2.967 N/A LYS 199.A NZ SER 218.A OG no hydrogen 2.851 N/A ARG 200.A N PHE 217.A O no hydrogen 2.735 N/A ARG 200.A NH1 GLY 197.A O no hydrogen 3.452 N/A ARG 200.A NH1 LYS 199.A O no hydrogen 3.276 N/A ILE 201.A N ARG 193.A O no hydrogen 2.840 N/A ALA 202.A N ALA 215.A O no hydrogen 2.865 N/A ARG 203.A N TYR 191.A O no hydrogen 2.836 N/A ARG 203.A NE GLU 214.A OE2 no hydrogen 3.055 N/A LEU 204.A N GLY 213.A O no hydrogen 3.230 N/A ILE 205.A N ARG 189.A O no hydrogen 2.959 N/A LEU 210.A N PRO 208.A O no hydrogen 2.758 N/A GLY 213.A N GLU 212.A OE1 no hydrogen 3.207 N/A ALA 215.A N ALA 202.A O no hydrogen 2.941 N/A PHE 217.A N ARG 200.A O no hydrogen 2.999 N/A SER 218.A N GLU 225.A O no hydrogen 2.743 N/A SER 218.A OG ASP 226.A OXT no hydrogen 3.556 N/A THR 220.A N GLY 223.A O no hydrogen 3.007 N/A THR 220.A OG1 GLU 225.A OE1 no hydrogen 2.665 N/A LYS 222.A N THR 220.A OG1 no hydrogen 3.077 N/A GLY 223.A N THR 220.A O no hydrogen 3.028 N/A GLU 225.A N SER 218.A O no hydrogen 2.979 N/A