Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u1m_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N SER 2.A OG no hydrogen 3.229 N/A ASP 5.A N SER 2.A O no hydrogen 2.969 N/A LYS 6.A N TRP 3.A O no hydrogen 3.316 N/A LYS 6.A NZ GLN 55.A O no hydrogen 2.966 N/A ALA 8.A N LYS 60.A O no hydrogen 2.903 N/A LYS 9.A N HIS 57.A O no hydrogen 3.217 N/A LYS 9.A NZ LEU 56.A O no hydrogen 2.950 N/A GLN 11.A N CYS 80.A O no hydrogen 3.101 N/A GLN 11.A NE2 HIS 57.A ND1 no hydrogen 3.320 N/A GLN 11.A NE2 PHE 75.A O no hydrogen 3.132 N/A LYS 13.A N GLU 16.A OE2 no hydrogen 2.911 N/A GLU 16.A N LYS 13.A O no hydrogen 2.933 N/A LEU 17.A N GLU 14.A O no hydrogen 3.061 N/A GLN 24.A NE2 PHE 71.A O no hydrogen 2.979 N/A GLN 24.A NE2 PHE 111.A O no hydrogen 2.857 N/A GLY 26.A N ALA 23.A O no hydrogen 2.923 N/A PHE 29.A N GLY 26.A O no hydrogen 3.478 N/A TRP 32.A N THR 28.A O no hydrogen 2.968 N/A TRP 32.A NE1 SER 19.A O no hydrogen 2.987 N/A TYR 33.A N PHE 29.A O no hydrogen 2.824 N/A ASN 34.A N ASN 30.A O no hydrogen 2.807 N/A LYS 35.A N ILE 31.A O no hydrogen 3.063 N/A TRP 36.A N TRP 32.A O no hydrogen 2.969 N/A SER 37.A N TYR 33.A O no hydrogen 2.893 N/A SER 37.A OG TYR 33.A O no hydrogen 3.525 N/A SER 37.A OG ASN 34.A O no hydrogen 2.882 N/A GLN 38.A N ASN 34.A O no hydrogen 2.905 N/A GLY 39.A N LYS 35.A O no hydrogen 3.060 N/A GLY 39.A N TRP 36.A O no hydrogen 3.138 N/A PHE 40.A N SER 37.A O no hydrogen 3.216 N/A THR 44.A OG1 THR 213.A OG1 no hydrogen 2.643 N/A ARG 45.A NE GLY 214.A O no hydrogen 2.834 N/A ARG 45.A NH2 GLY 214.A O no hydrogen 3.392 N/A SER 48.A N ASN 195.A O no hydrogen 2.781 N/A SER 48.A OG PHE 50.A O no hydrogen 3.068 N/A PHE 50.A N SER 48.A OG no hydrogen 3.133 N/A GLN 53.A N HIS 57.A ND1 no hydrogen 3.037 N/A HIS 57.A N GLN 53.A O no hydrogen 2.760 N/A SER 58.A N PRO 54.A O no hydrogen 2.985 N/A SER 58.A OG PRO 54.A O no hydrogen 2.744 N/A GLY 59.A N HIS 90.A O no hydrogen 2.930 N/A LYS 60.A N LYS 6.A O no hydrogen 2.722 N/A LYS 60.A NZ ARG 4.A O no hydrogen 2.921 N/A THR 61.A N ASP 64.A OD2 no hydrogen 2.716 N/A THR 61.A OG1 ASP 64.A OD2 no hydrogen 3.315 N/A THR 61.A OG1 CYS 86.A O no hydrogen 3.314 N/A THR 61.A OG1 TYR 88.A O no hydrogen 2.952 N/A ARG 62.A N PRO 84.A O no hydrogen 3.037 N/A ARG 62.A NE GLU 87.A OE2 no hydrogen 3.401 N/A GLY 63.A N THR 61.A OG1 no hydrogen 3.024 N/A GLY 63.A N CYS 86.A O no hydrogen 3.225 N/A ASP 64.A N THR 61.A O no hydrogen 3.031 N/A ASN 65.A N ARG 62.A O no hydrogen 3.002 N/A ASP 66.A N GLY 63.A O no hydrogen 3.125 N/A GLN 68.A N GLY 63.A O no hydrogen 3.109 N/A GLN 68.A NE2 GLU 87.A O no hydrogen 3.033 N/A PHE 70.A N GLN 68.A OE1 no hydrogen 2.993 N/A PHE 71.A N CYS 110.A O no hydrogen 2.701 N/A CYS 72.A N LEU 89.A O no hydrogen 2.952 N/A CYS 72.A SG HIS 90.A NE2 no hydrogen 3.584 N/A LEU 73.A N GLN 24.A OE1 no hydrogen 2.708 N/A ALA 76.A N CYS 72.A O no hydrogen 3.061 N/A LYS 77.A N LEU 73.A O no hydrogen 3.130 N/A LYS 77.A NZ GLU 191.A O no hydrogen 2.841 N/A LYS 77.A NZ GLU 191.A OE1 no hydrogen 3.114 N/A GLY 78.A N PHE 75.A O no hydrogen 2.919 N/A MET 79.A N PHE 74.A O no hydrogen 2.814 N/A CYS 80.A N GLN 11.A OE1 no hydrogen 2.821 N/A CYS 80.A SG HIS 90.A NE2 no hydrogen 3.551 N/A LYS 85.A N LEU 82.A O no hydrogen 3.084 N/A CYS 86.A N GLY 83.A O no hydrogen 2.972 N/A CYS 86.A SG TYR 88.A O no hydrogen 3.602 N/A CYS 86.A SG HIS 90.A NE2 no hydrogen 3.527 N/A LEU 89.A N PHE 70.A O no hydrogen 3.073 N/A HIS 91.A NE2 ASP 97.A OD1 no hydrogen 2.719 N/A ASP 94.A N ASP 97.A OD1 no hydrogen 2.994 N/A ASP 97.A N ASP 94.A OD2 no hydrogen 2.859 N/A ILE 98.A N ASP 94.A O no hydrogen 2.951 N/A GLY 99.A N GLU 95.A O no hydrogen 2.992 N/A LYS 100.A N GLU 96.A O no hydrogen 3.114 N/A LYS 100.A NZ GLU 96.A OE2 no hydrogen 3.433 N/A LEU 101.A N ASP 97.A O no hydrogen 2.987 N/A ALA 102.A N ILE 98.A O no hydrogen 2.987 N/A LEU 103.A N GLY 99.A O no hydrogen 3.396 N/A LEU 103.A N LYS 100.A O no hydrogen 3.217 N/A ARG 104.A N LYS 100.A O no hydrogen 3.169 N/A ARG 104.A N LEU 101.A O no hydrogen 3.031 N/A ARG 104.A NH1 ARG 104.A O no hydrogen 3.020 N/A THR 105.A N LEU 101.A O no hydrogen 2.854 N/A VAL 107.A N THR 105.A OG1 no hydrogen 2.990 N/A LEU 108.A N THR 105.A OG1 no hydrogen 3.054 N/A ASP 109.A N ARG 113.A O no hydrogen 2.765 N/A CYS 110.A N GLU 187.A OE1 no hydrogen 2.907 N/A CYS 110.A SG ALA 184.A O no hydrogen 3.677 N/A PHE 111.A N ASP 109.A OD2 no hydrogen 2.908 N/A GLY 112.A N ASP 109.A O no hydrogen 3.003 N/A ARG 113.A N ASP 109.A OD2 no hydrogen 3.018 N/A ARG 113.A NE ASP 109.A OD1 no hydrogen 2.940 N/A ARG 113.A NH1 GLU 191.A OE2 no hydrogen 3.191 N/A ARG 113.A NH2 ASP 109.A OD1 no hydrogen 3.049 N/A ARG 113.A NH2 GLU 191.A OE2 no hydrogen 2.854 N/A LYS 115.A N VAL 107.A O no hydrogen 2.892 N/A LYS 115.A NZ LEU 108.A O no hydrogen 3.336 N/A LYS 115.A NZ GLN 183.A OE1 no hydrogen 3.148 N/A LYS 115.A NZ GLU 187.A OE2 no hydrogen 2.604 N/A ASP 118.A N LYS 115.A O no hydrogen 2.977 N/A TYR 119.A N PHE 116.A O no hydrogen 3.155 N/A ARG 120.A N PHE 116.A O no hydrogen 2.937 N/A GLY 124.A N ASP 122.A OD1 no hydrogen 2.904 N/A LYS 127.A NZ GLN 183.A OE1 no hydrogen 3.044 N/A ASN 128.A ND2 ALA 220.A O no hydrogen 2.900 N/A LYS 129.A NZ LYS 181.A O no hydrogen 3.093 N/A THR 130.A N ASN 128.A OD1 no hydrogen 3.079 N/A LEU 131.A N VAL 178.A O no hydrogen 2.744 N/A TYR 132.A N LYS 218.A O no hydrogen 2.795 N/A VAL 133.A N GLY 176.A O no hydrogen 2.850 N/A GLY 134.A N LEU 216.A O no hydrogen 2.752 N/A ASP 137.A N ASN 174.A OD1 no hydrogen 2.855 N/A ALA 139.A N GLY 135.A O no hydrogen 3.147 N/A LEU 140.A N ASP 137.A O no hydrogen 3.092 N/A ASN 141.A N GLY 138.A O no hydrogen 3.186 N/A ASN 141.A ND2 ASP 208.A O no hydrogen 2.946 N/A SER 142.A N ASP 137.A O no hydrogen 2.854 N/A SER 142.A OG ASP 137.A OD2 no hydrogen 2.746 N/A LYS 143.A N LEU 140.A O no hydrogen 2.891 N/A LYS 143.A NZ GLU 205.A OE1 no hydrogen 2.835 N/A LYS 143.A NZ GLU 205.A OE2 no hydrogen 3.165 N/A LYS 146.A N GLN 149.A OE1 no hydrogen 2.902 N/A ILE 150.A N LYS 146.A O no hydrogen 2.913 N/A GLU 151.A N PRO 147.A O no hydrogen 2.839 N/A SER 152.A N ALA 148.A O no hydrogen 3.143 N/A SER 152.A OG GLN 149.A O no hydrogen 2.808 N/A ARG 153.A N GLN 149.A O no hydrogen 3.203 N/A ARG 153.A N ILE 150.A O no hydrogen 3.074 N/A ARG 153.A NH1 LEU 198.A O no hydrogen 3.132 N/A ARG 153.A NH1 ASP 203.A OD2 no hydrogen 2.724 N/A ARG 153.A NH2 ASP 203.A OD1 no hydrogen 2.820 N/A ARG 153.A NH2 ASP 203.A OD2 no hydrogen 3.435 N/A ILE 154.A N ILE 150.A O no hydrogen 3.132 N/A ARG 155.A N GLU 151.A O no hydrogen 2.917 N/A ARG 155.A NE GLU 151.A OE2 no hydrogen 2.860 N/A ARG 155.A NH2 GLU 151.A OE2 no hydrogen 3.256 N/A PHE 156.A N.A SER 152.A O no hydrogen 2.908 N/A PHE 156.A N.B SER 152.A O no hydrogen 2.935 N/A VAL 157.A N ARG 153.A O no hydrogen 3.148 N/A PHE 158.A N ILE 154.A O no hydrogen 3.115 N/A SER 159.A N ARG 155.A O no hydrogen 2.826 N/A ARG 160.A N PHE 156.A O.A no hydrogen 3.378 N/A LEU 161.A N PHE 158.A O no hydrogen 2.865 N/A GLY 162.A N SER 159.A O no hydrogen 3.406 N/A ASP 165.A N LYS 179.A O no hydrogen 2.773 N/A ARG 166.A N LYS 179.A O no hydrogen 3.126 N/A ARG 168.A N PHE 177.A O no hydrogen 2.960 N/A VAL 170.A N CYS 175.A O no hydrogen 2.772 N/A LYS 173.A N VAL 170.A O no hydrogen 3.053 N/A ASN 174.A N GLU 171.A O no hydrogen 2.981 N/A CYS 175.A N VAL 170.A O no hydrogen 3.415 N/A GLY 176.A N VAL 133.A O no hydrogen 2.838 N/A PHE 177.A N ARG 168.A O no hydrogen 2.873 N/A VAL 178.A N LEU 131.A O no hydrogen 2.907 N/A LYS 179.A N ARG 166.A O no hydrogen 2.839 N/A PHE 180.A N LYS 129.A O no hydrogen 2.933 N/A LYS 181.A N ASP 163.A O no hydrogen 2.918 N/A LYS 181.A NZ GLU 95.A OE1 no hydrogen 3.359 N/A LYS 181.A NZ TYR 182.A OH no hydrogen 3.126 N/A GLN 183.A NE2 ASN 128.A O no hydrogen 3.660 N/A ASN 185.A N TYR 182.A O no hydrogen 3.207 N/A ASN 185.A ND2 PRO 93.A O no hydrogen 3.006 N/A ASN 185.A ND2 LEU 161.A O no hydrogen 2.994 N/A ALA 186.A N TYR 182.A O no hydrogen 3.341 N/A GLU 187.A N GLN 183.A O no hydrogen 2.885 N/A PHE 188.A N ALA 184.A O no hydrogen 2.934 N/A ALA 189.A N ASN 185.A O no hydrogen 2.765 N/A LYS 190.A N ALA 186.A O no hydrogen 2.935 N/A ALA 192.A N PHE 188.A O no hydrogen 2.974 N/A MET 193.A N ALA 189.A O no hydrogen 2.820 N/A SER 194.A N LYS 190.A O no hydrogen 3.224 N/A SER 194.A OG LYS 190.A O no hydrogen 2.749 N/A ASN 195.A N LEU 215.A O no hydrogen 2.913 N/A ASN 195.A ND2 PHE 46.A O no hydrogen 2.887 N/A GLN 196.A N MET 193.A O no hydrogen 3.117 N/A GLN 196.A NE2 PHE 50.A O no hydrogen 2.920 N/A GLN 196.A NE2 ALA 192.A O no hydrogen 3.535 N/A THR 197.A OG1 ALA 139.A O no hydrogen 3.134 N/A LEU 198.A N ALA 139.A O no hydrogen 2.780 N/A LEU 199.A N THR 197.A OG1 no hydrogen 2.953 N/A LEU 200.A N ASP 203.A OD2 no hydrogen 2.787 N/A ASP 203.A N LEU 200.A O no hydrogen 2.769 N/A GLU 205.A N GLU 205.A OE1 no hydrogen 2.622 N/A TRP 206.A N ASP 203.A O no hydrogen 3.118 N/A ASP 208.A N GLU 205.A O no hydrogen 2.864 N/A ARG 209.A N TRP 206.A O no hydrogen 3.023 N/A ARG 209.A NH1 TRP 206.A O no hydrogen 2.812 N/A ARG 210.A NH1 VAL 47.A O no hydrogen 2.843 N/A GLU 211.A N ASP 208.A O no hydrogen 2.983 N/A GLY 212.A N ARG 209.A O no hydrogen 3.312 N/A THR 213.A N GLY 138.A O no hydrogen 2.984 N/A THR 213.A OG1 THR 44.A OG1 no hydrogen 2.643 N/A GLY 214.A N ARG 45.A O no hydrogen 2.945 N/A LEU 215.A N GLN 196.A O no hydrogen 3.038 N/A LEU 216.A N GLY 134.A O no hydrogen 3.088 N/A LYS 218.A N TYR 132.A O no hydrogen 2.982 N/A ALA 220.A N THR 130.A O no hydrogen 2.919 N/A