Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a4u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N THR 228.A O no hydrogen 3.093 N/A ARG 4.A NH2 GLU 65.A OE2 no hydrogen 2.757 N/A ARG 4.A NH2 GLU 67.A OE2 no hydrogen 2.583 N/A ARG 5.A N GLN 226.A O no hydrogen 2.814 N/A ARG 5.A NH1 GLU 7.A OE2 no hydrogen 2.895 N/A GLU 7.A N THR 224.A O no hydrogen 2.819 N/A TYR 10.A N GLU 7.A O no hydrogen 3.182 N/A TYR 10.A OH LYS 58.A O no hydrogen 2.824 N/A SER 11.A N TYR 8.A O no hydrogen 3.293 N/A SER 11.A OG GLU 7.A O no hydrogen 2.805 N/A PHE 12.A N PHE 222.A O no hydrogen 2.926 N/A LEU 17.A N SER 37.A O no hydrogen 2.863 N/A GLN 19.A N THR 23.A O no hydrogen 2.709 N/A GLN 19.A NE2 THR 23.A OG1 no hydrogen 2.778 N/A GLY 22.A N GLN 19.A O no hydrogen 2.833 N/A THR 23.A N ASP 21.A OD1 no hydrogen 3.172 N/A THR 23.A OG1 ASP 21.A OD1 no hydrogen 2.653 N/A TRP 27.A N VAL 24.A O no hydrogen 3.121 N/A TRP 27.A NE1 SER 11.A O no hydrogen 3.060 N/A ALA 28.A N TRP 54.A O no hydrogen 2.755 N/A ALA 30.A N SER 52.A O no hydrogen 2.909 N/A ASN 32.A N ARG 50.A O no hydrogen 2.701 N/A ALA 33.A N ALA 30.A O no hydrogen 3.415 N/A ILE 34.A N ARG 41.A O no hydrogen 2.779 N/A SER 36.A N GLN 39.A O no hydrogen 2.875 N/A SER 36.A OG GLN 39.A O no hydrogen 2.709 N/A ILE 40.A N VAL 219.A O no hydrogen 2.817 N/A ARG 41.A N ILE 34.A O no hydrogen 2.867 N/A ARG 41.A NE ASP 218.A OD1 no hydrogen 2.663 N/A ARG 41.A NH1 ASP 218.A OD1 no hydrogen 3.518 N/A ARG 41.A NH1 ASP 218.A OD2 no hydrogen 2.961 N/A VAL 42.A N HIS 217.A O no hydrogen 2.775 N/A SER 45.A N ASP 216.A OD1 no hydrogen 2.858 N/A SER 45.A OG ASP 216.A OD1 no hydrogen 3.288 N/A SER 45.A OG ASP 216.A OD2 no hydrogen 3.175 N/A LEU 46.A N PRO 44.A O no hydrogen 2.761 N/A LYS 47.A NZ GLY 212.A O no hydrogen 2.804 N/A SER 48.A N GLY 211.A O no hydrogen 2.930 N/A GLN 49.A N THR 210.A OG1 no hydrogen 2.766 N/A GLN 49.A NE2 LYS 47.A O no hydrogen 3.121 N/A GLY 51.A N ALA 208.A O no hydrogen 2.975 N/A SER 52.A N ALA 30.A O no hydrogen 3.172 N/A SER 52.A OG LEU 93.A O no hydrogen 2.492 N/A VAL 53.A N ILE 206.A O no hydrogen 2.782 N/A TRP 54.A N ALA 28.A O no hydrogen 2.813 N/A TRP 54.A NE1 SER 100.A OG no hydrogen 3.110 N/A THR 55.A N PHE 204.A O no hydrogen 2.895 N/A THR 55.A OG1 THR 57.A O no hydrogen 2.924 N/A THR 55.A OG1 PHE 204.A O no hydrogen 3.539 N/A LYS 56.A N PHE 26.A O no hydrogen 2.917 N/A ALA 59.A N GLY 202.A O no hydrogen 2.759 N/A TRP 64.A N TYR 167.A O no hydrogen 2.909 N/A GLU 65.A N PHE 225.A O no hydrogen 2.871 N/A VAL 66.A N ILE 165.A O no hydrogen 2.844 N/A GLU 67.A N LEU 223.A O no hydrogen 2.817 N/A VAL 68.A N ALA 163.A O no hydrogen 2.842 N/A THR 69.A N SER 221.A O no hydrogen 2.974 N/A PHE 70.A N VAL 161.A O no hydrogen 2.838 N/A ARG 71.A N ASP 218.A O no hydrogen 2.830 N/A THR 73.A N ASP 216.A O no hydrogen 2.962 N/A GLY 74.A N ASN 156.A OD1 no hydrogen 2.817 N/A ASP 81.A N ALA 209.A O no hydrogen 2.760 N/A LEU 83.A N PHE 111.A O no hydrogen 3.015 N/A ALA 84.A N SER 207.A O no hydrogen 2.795 N/A ILE 85.A N ILE 109.A O no hydrogen 2.882 N/A TRP 86.A N GLY 205.A O no hydrogen 2.796 N/A TRP 86.A NE1 SER 207.A OG no hydrogen 2.808 N/A TYR 87.A N VAL 107.A O no hydrogen 3.043 N/A TYR 87.A OH PRO 199.A O no hydrogen 2.785 N/A ALA 88.A N HIS 203.A O no hydrogen 3.006 N/A GLU 89.A N ASN 105.A O no hydrogen 2.830 N/A GLN 91.A NE2 THR 55.A O no hydrogen 2.941 N/A GLY 95.A N GLY 99.A O no hydrogen 3.205 N/A VAL 97.A N SER 100.A O no hydrogen 2.887 N/A SER 100.A N VAL 97.A O no hydrogen 2.942 N/A SER 100.A OG GLY 92.A O no hydrogen 2.885 N/A ALA 101.A N GLY 92.A O no hydrogen 3.165 N/A LEU 103.A N ASP 102.A OD1 no hydrogen 2.908 N/A ASN 105.A ND2 GLU 89.A OE1 no hydrogen 2.880 N/A GLY 106.A N ASN 130.A O no hydrogen 2.847 N/A VAL 107.A N TYR 87.A O no hydrogen 2.871 N/A GLY 108.A N ILE 128.A O no hydrogen 2.990 N/A ILE 109.A N ILE 85.A O no hydrogen 2.806 N/A PHE 110.A N VAL 126.A O no hydrogen 2.747 N/A PHE 111.A N LEU 83.A O no hydrogen 2.666 N/A ASP 112.A N ALA 124.A O no hydrogen 2.810 N/A SER 113.A N ASP 81.A O no hydrogen 3.096 N/A PHE 114.A N ASP 112.A OD1 no hydrogen 3.086 N/A ASN 116.A N ASP 141.A OD1 no hydrogen 3.196 N/A ASN 116.A N ASP 141.A OD2 no hydrogen 3.176 N/A GLY 118.A N ASP 115.A O no hydrogen 3.323 N/A LYS 119.A N ASP 115.A OD1 no hydrogen 3.003 N/A LYS 120.A N ASP 115.A OD2 no hydrogen 2.867 N/A ASN 122.A ND2 ASP 112.A O no hydrogen 3.030 N/A ASN 122.A ND2 ASP 141.A OD2 no hydrogen 3.483 N/A ALA 124.A N ASP 112.A O no hydrogen 3.018 N/A ILE 125.A N CYS 150.A O no hydrogen 2.781 N/A VAL 126.A N PHE 110.A O no hydrogen 2.845 N/A ILE 127.A N ALA 148.A O no hydrogen 2.978 N/A ILE 128.A N GLY 108.A O no hydrogen 2.905 N/A ASN 130.A N GLY 106.A O no hydrogen 2.907 N/A ASN 130.A ND2 ILE 134.A O no hydrogen 2.696 N/A ASN 131.A ND2 GLN 133.A OE1 no hydrogen 2.920 N/A GLY 132.A N ASN 130.A OD1 no hydrogen 2.954 N/A GLN 133.A N ASN 131.A OD1 no hydrogen 2.995 N/A ILE 134.A N ASN 130.A OD1 no hydrogen 3.042 N/A TYR 136.A N ASP 102.A OD1 no hydrogen 2.888 N/A ASP 137.A N GLN 145.A OE1 no hydrogen 2.881 N/A HIS 138.A N TYR 136.A O no hydrogen 3.111 N/A ASN 140.A N ASP 137.A O no hydrogen 3.331 N/A ASN 140.A ND2 ASP 137.A OD1 no hydrogen 3.180 N/A ASN 140.A ND2 ASP 137.A OD2 no hydrogen 2.991 N/A ASP 141.A N HIS 138.A O no hydrogen 3.103 N/A GLY 142.A N ASP 137.A O no hydrogen 2.857 N/A ALA 143.A N ASN 140.A O no hydrogen 2.981 N/A GLN 145.A N GLY 142.A O no hydrogen 2.907 N/A GLN 145.A NE2 HIS 135.A O no hydrogen 2.894 N/A LEU 147.A N ILE 127.A O no hydrogen 2.784 N/A CYS 150.A N ILE 125.A O no hydrogen 2.950 N/A ARG 152.A N PRO 123.A O no hydrogen 3.223 N/A ARG 152.A NE GLN 151.A O no hydrogen 2.970 N/A ARG 152.A NH1 PHE 189.A O no hydrogen 3.256 N/A ARG 152.A NH2 PHE 189.A O no hydrogen 3.521 N/A ARG 155.A N ASP 153.A OD1 no hydrogen 3.193 N/A ARG 155.A NE ASP 215.A OD2 no hydrogen 2.709 N/A ARG 155.A NH1 GLY 76.A O no hydrogen 3.112 N/A ARG 155.A NH2 GLY 76.A O no hydrogen 2.977 N/A ARG 155.A NH2 ASP 215.A OD1 no hydrogen 2.823 N/A ARG 155.A NH2 ASP 215.A OD2 no hydrogen 3.436 N/A ASN 156.A N VAL 72.A O no hydrogen 2.821 N/A ASN 156.A ND2 GLY 74.A O no hydrogen 2.964 N/A ASN 156.A ND2 GLY 76.A O no hydrogen 3.606 N/A LYS 157.A NZ ASP 153.A OD2 no hydrogen 3.356 N/A LYS 157.A NZ ARG 155.A O no hydrogen 2.696 N/A TYR 159.A N GLY 179.A O no hydrogen 2.922 N/A VAL 161.A N PHE 70.A O no hydrogen 2.812 N/A ARG 162.A N ASN 177.A O no hydrogen 2.953 N/A ARG 162.A NE THR 69.A OG1 no hydrogen 2.793 N/A ARG 162.A NH2 LYS 184.A O no hydrogen 3.320 N/A ALA 163.A N VAL 68.A O no hydrogen 2.840 N/A LYS 164.A N MET 175.A O no hydrogen 2.876 N/A ILE 165.A N VAL 66.A O no hydrogen 2.819 N/A THR 166.A N THR 173.A O no hydrogen 2.860 N/A THR 166.A OG1 GLU 65.A OE1 no hydrogen 2.634 N/A TYR 167.A N TRP 64.A O no hydrogen 2.757 N/A TYR 167.A OH MET 196.A O no hydrogen 3.282 N/A TYR 168.A N THR 171.A O no hydrogen 2.958 N/A GLN 169.A N ASN 63.A OD1 no hydrogen 2.876 N/A ASN 170.A ND2 MET 196.A O no hydrogen 3.535 N/A THR 171.A N TYR 168.A O no hydrogen 3.134 N/A THR 171.A OG1 TYR 168.A O no hydrogen 2.754 N/A LEU 172.A N VAL 193.A O no hydrogen 2.897 N/A THR 173.A N THR 166.A O no hydrogen 2.866 N/A VAL 174.A N ALA 191.A O no hydrogen 2.810 N/A MET 175.A N LYS 164.A O no hydrogen 2.913 N/A ILE 176.A N GLU 188.A O no hydrogen 2.810 N/A ASN 177.A N ARG 162.A O no hydrogen 2.767 N/A ASN 177.A ND2 ASP 183.A O no hydrogen 2.756 N/A GLY 179.A N ASN 177.A OD1 no hydrogen 2.999 N/A ASP 183.A N THR 181.A OG1 no hydrogen 3.266 N/A ASN 185.A N ASP 183.A OD1 no hydrogen 3.202 N/A ASP 186.A N ASP 183.A O no hydrogen 3.269 N/A TYR 187.A N ASN 185.A O no hydrogen 3.016 N/A TYR 187.A OH GLU 67.A OE1 no hydrogen 3.084 N/A GLU 188.A N ILE 176.A O no hydrogen 2.857 N/A CYS 190.A N VAL 174.A O no hydrogen 2.922 N/A ALA 191.A N VAL 174.A O no hydrogen 3.310 N/A VAL 193.A N LEU 172.A O no hydrogen 2.673 N/A MET 196.A N ASN 170.A O no hydrogen 2.757 N/A GLY 202.A N ALA 59.A O no hydrogen 3.062 N/A HIS 203.A N ALA 88.A O no hydrogen 2.757 N/A HIS 203.A ND1 GLU 89.A O no hydrogen 3.308 N/A PHE 204.A N THR 55.A OG1 no hydrogen 3.117 N/A GLY 205.A N TRP 86.A O no hydrogen 3.014 N/A ILE 206.A N VAL 53.A O no hydrogen 2.856 N/A SER 207.A N ALA 84.A O no hydrogen 3.006 N/A SER 207.A OG PHE 98.A O no hydrogen 2.706 N/A SER 207.A OG SER 100.A OG no hydrogen 3.152 N/A ALA 208.A N GLY 51.A O no hydrogen 2.968 N/A ALA 209.A N GLY 82.A O no hydrogen 3.279 N/A THR 210.A N GLN 49.A O no hydrogen 2.946 N/A THR 210.A OG1 LEU 46.A O no hydrogen 2.669 N/A GLY 211.A N LEU 213.A O no hydrogen 3.005 N/A ASP 215.A N ALA 80.A O no hydrogen 3.159 N/A ASP 216.A N THR 73.A O no hydrogen 2.777 N/A HIS 217.A N ALA 43.A O no hydrogen 2.775 N/A ASP 218.A N ARG 71.A O no hydrogen 2.873 N/A VAL 219.A N ILE 40.A O no hydrogen 2.787 N/A LEU 220.A N THR 69.A O no hydrogen 2.778 N/A SER 221.A N THR 69.A O no hydrogen 3.415 N/A PHE 222.A N PHE 12.A O no hydrogen 2.959 N/A LEU 223.A N GLU 67.A O no hydrogen 2.851 N/A THR 224.A N SER 11.A OG no hydrogen 2.932 N/A THR 224.A OG1 TYR 10.A O no hydrogen 2.629 N/A PHE 225.A N GLU 65.A O no hydrogen 2.771 N/A GLN 226.A N ARG 5.A O no hydrogen 2.832 N/A LEU 227.A N ASN 63.A O no hydrogen 2.844 N/A THR 228.A N HIS 3.A O no hydrogen 2.975 N/A THR 228.A OG1 HIS 3.A O no hydrogen 3.454 N/A