Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i4f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 ASP 82.A OD1 no hydrogen 3.013 N/A ARG 3.A NH2 ASP 222.A OD1 no hydrogen 3.140 N/A ARG 3.A NH2 ASP 222.A OD2 no hydrogen 3.327 N/A HIS 4.A N ASP 82.A OD2 no hydrogen 3.068 N/A HIS 4.A ND1 SER 28.A OG no hydrogen 2.709 N/A HIS 4.A NE2 THR 30.A OG1 no hydrogen 2.718 N/A ALA 5.A N SER 28.A O no hydrogen 2.794 N/A LEU 6.A N PHE 83.A O no hydrogen 2.785 N/A ILE 7.A N THR 30.A O no hydrogen 3.011 N/A THR 8.A N ILE 85.A O no hydrogen 3.209 N/A THR 8.A OG1 ILE 85.A O no hydrogen 3.386 N/A ALA 9.A N THR 32.A OG1 no hydrogen 2.799 N/A GLY 10.A N THR 32.A O no hydrogen 3.248 N/A GLY 13.A N GLU 195.A OE2 no hydrogen 3.380 N/A LYS 16.A N LYS 12.A O no hydrogen 3.213 N/A LYS 16.A N GLY 13.A O no hydrogen 3.026 N/A LYS 16.A NZ GLU 195.A OE1 no hydrogen 3.372 N/A GLN 17.A NE2 GLU 195.A O no hydrogen 2.545 N/A VAL 18.A N LEU 14.A O no hydrogen 3.152 N/A THR 19.A N GLY 15.A O no hydrogen 2.805 N/A THR 19.A OG1 GLY 10.A O no hydrogen 2.795 N/A THR 19.A OG1 GLY 15.A O no hydrogen 2.950 N/A GLU 20.A N LYS 16.A O no hydrogen 2.900 N/A LYS 21.A N GLN 17.A O no hydrogen 2.853 N/A LYS 21.A NZ GLU 210.A OE2 no hydrogen 3.238 N/A LEU 22.A N VAL 18.A O no hydrogen 3.094 N/A LEU 23.A N THR 19.A O no hydrogen 3.099 N/A ALA 24.A N GLU 20.A O no hydrogen 3.091 N/A LYS 25.A N LYS 21.A O no hydrogen 2.899 N/A GLY 26.A N LEU 23.A O no hydrogen 3.052 N/A TYR 27.A N LEU 22.A O no hydrogen 2.870 N/A SER 28.A N ARG 3.A O no hydrogen 3.127 N/A SER 28.A OG ARG 3.A O no hydrogen 3.546 N/A SER 28.A OG HIS 4.A ND1 no hydrogen 2.709 N/A VAL 29.A N ARG 53.A O no hydrogen 2.838 N/A THR 30.A N ALA 5.A O no hydrogen 2.778 N/A THR 30.A OG1 HIS 4.A NE2 no hydrogen 2.718 N/A THR 30.A OG1 GLN 55.A OE1 no hydrogen 2.572 N/A VAL 31.A N GLN 55.A O no hydrogen 2.804 N/A THR 32.A N ILE 7.A O no hydrogen 3.171 N/A TYR 33.A N VAL 57.A O no hydrogen 3.036 N/A ALA 39.A N ASP 36.A OD1 no hydrogen 3.121 N/A GLU 41.A N THR 37.A O no hydrogen 3.002 N/A THR 42.A N THR 38.A O no hydrogen 3.191 N/A THR 42.A OG1 THR 38.A O no hydrogen 3.430 N/A THR 42.A OG1 ALA 39.A O no hydrogen 3.032 N/A MET 43.A N ALA 39.A O no hydrogen 3.226 N/A LYS 44.A N MET 40.A O no hydrogen 2.794 N/A GLU 45.A N GLU 41.A O no hydrogen 3.191 N/A THR 46.A N THR 42.A O no hydrogen 3.321 N/A THR 46.A OG1 THR 42.A O no hydrogen 2.671 N/A TYR 47.A N MET 43.A O no hydrogen 3.370 N/A LYS 48.A N GLU 45.A O no hydrogen 3.221 N/A GLU 51.A N LYS 48.A O no hydrogen 3.061 N/A ARG 53.A N VAL 50.A O no hydrogen 3.014 N/A ARG 53.A NH1 LEU 23.A O no hydrogen 3.391 N/A ARG 53.A NH2 LEU 23.A O no hydrogen 2.842 N/A ARG 53.A NH2 TYR 27.A O no hydrogen 2.864 N/A LEU 54.A N GLU 51.A O no hydrogen 3.236 N/A GLN 55.A N VAL 29.A O no hydrogen 3.036 N/A GLN 55.A NE2 GLU 73.A O no hydrogen 3.433 N/A VAL 57.A N VAL 31.A O no hydrogen 2.799 N/A GLN 58.A NE2 TYR 33.A O no hydrogen 3.483 N/A GLN 58.A NE2 HIS 34.A O no hydrogen 2.760 N/A ALA 59.A N TYR 33.A O no hydrogen 2.935 N/A ASP 60.A N ASP 66.A OD2 no hydrogen 2.869 N/A THR 62.A N ASP 60.A OD1 no hydrogen 3.170 N/A THR 62.A OG1 ASP 60.A OD1 no hydrogen 2.666 N/A LYS 63.A N ASP 60.A O no hydrogen 3.079 N/A LYS 63.A NZ ASP 60.A OD2 no hydrogen 3.223 N/A LEU 67.A N LYS 63.A O no hydrogen 3.102 N/A HIS 68.A N LYS 64.A O no hydrogen 3.065 N/A HIS 68.A ND1.B LYS 64.A O no hydrogen 2.817 N/A LYS 69.A N GLU 65.A O no hydrogen 3.204 N/A LYS 69.A NZ GLN 58.A O no hydrogen 2.859 N/A ILE 70.A N ASP 66.A O no hydrogen 3.172 N/A VAL 71.A N LEU 67.A O no hydrogen 3.392 N/A GLU 72.A N HIS 68.A O no hydrogen 3.003 N/A GLU 73.A N LYS 69.A O no hydrogen 2.860 N/A ALA 74.A N ILE 70.A O no hydrogen 2.913 N/A MET 75.A N VAL 71.A O no hydrogen 2.942 N/A SER 76.A N GLU 72.A O no hydrogen 3.050 N/A SER 76.A OG GLU 72.A O no hydrogen 3.332 N/A HIS 77.A N GLU 73.A O no hydrogen 3.120 N/A PHE 78.A N ALA 74.A O no hydrogen 2.878 N/A GLY 79.A N MET 75.A O no hydrogen 2.958 N/A ILE 81.A N GLN 131.A OE1 no hydrogen 2.988 N/A ASP 82.A N HIS 4.A O no hydrogen 2.834 N/A PHE 83.A N HIS 4.A O no hydrogen 3.021 N/A LEU 84.A N ARG 135.A O no hydrogen 2.774 N/A ILE 85.A N LEU 6.A O no hydrogen 2.869 N/A ASN 86.A N ILE 137.A O no hydrogen 2.884 N/A ASN 86.A ND2 ILE 137.A O no hydrogen 3.413 N/A ASN 86.A ND2 ASN 138.A OD1 no hydrogen 2.640 N/A ASN 87.A ND2 THR 8.A O no hydrogen 3.194 N/A ALA 88.A N THR 8.A OG1 no hydrogen 3.143 N/A LYS 96.A NZ ASP 100.A O no hydrogen 3.424 N/A LYS 96.A NZ GLU 105.A OE1 no hydrogen 3.110 N/A LYS 96.A NZ GLU 105.A OE2 no hydrogen 2.973 N/A ASP 100.A N LYS 97.A O no hydrogen 2.878 N/A TYR 101.A N LEU 98.A O no hydrogen 2.933 N/A GLU 102.A N GLU 105.A OE1 no hydrogen 2.595 N/A TRP 106.A N GLU 102.A O no hydrogen 3.129 N/A ASN 107.A N GLU 103.A O no hydrogen 3.017 N/A ASN 107.A ND2 GLU 103.A OE2 no hydrogen 3.093 N/A GLU 108.A N ASP 104.A O no hydrogen 2.965 N/A MET 109.A N GLU 105.A O no hydrogen 3.174 N/A ILE 110.A N TRP 106.A O no hydrogen 3.125 N/A GLN 111.A N ASN 107.A O no hydrogen 2.878 N/A GLY 112.A N GLU 108.A O no hydrogen 2.761 N/A ASN 113.A N MET 109.A O no hydrogen 3.109 N/A ASN 113.A ND2 PRO 90.A O no hydrogen 3.089 N/A ASN 113.A ND2 MET 109.A O no hydrogen 3.220 N/A LEU 114.A N ILE 110.A O no hydrogen 2.916 N/A THR 115.A N ILE 110.A O no hydrogen 3.125 N/A ALA 116.A N GLN 111.A O no hydrogen 2.844 N/A PHE 118.A N LEU 114.A O no hydrogen 3.226 N/A HIS 119.A N THR 115.A O no hydrogen 2.979 N/A LEU 120.A N ALA 116.A O no hydrogen 2.964 N/A LEU 121.A N VAL 117.A O no hydrogen 2.809 N/A LYS 122.A N PHE 118.A O no hydrogen 2.909 N/A LEU 123.A N LEU 120.A O no hydrogen 3.098 N/A VAL 124.A N LEU 120.A O no hydrogen 2.770 N/A VAL 125.A N LEU 121.A O no hydrogen 2.819 N/A MET 128.A N VAL 124.A O no hydrogen 3.078 N/A ARG 129.A N VAL 125.A O no hydrogen 2.953 N/A ARG 129.A NE GLU 174.A OE1 no hydrogen 2.997 N/A ARG 129.A NH2 GLU 174.A OE1 no hydrogen 3.131 N/A ARG 129.A NH2 GLU 174.A OE2 no hydrogen 2.790 N/A LYS 130.A N PRO 126.A O no hydrogen 3.247 N/A GLN 131.A N VAL 127.A O no hydrogen 3.063 N/A GLN 131.A NE2 ILE 81.A O no hydrogen 2.812 N/A GLN 131.A NE2 PHE 133.A O no hydrogen 3.086 N/A ASN 132.A N ARG 129.A O no hydrogen 2.977 N/A PHE 133.A N MET 128.A O no hydrogen 3.206 N/A GLY 134.A N GLY 178.A O no hydrogen 3.019 N/A ARG 135.A N ASP 82.A O no hydrogen 3.085 N/A ARG 135.A NE GLU 221.A O no hydrogen 3.377 N/A ARG 135.A NH1 GLY 134.A O no hydrogen 2.779 N/A ARG 135.A NH2 GLU 221.A O no hydrogen 3.286 N/A ILE 136.A N THR 180.A O no hydrogen 2.891 N/A ILE 137.A N LEU 84.A O no hydrogen 2.733 N/A ASN 138.A N ASN 182.A O no hydrogen 2.971 N/A ASN 138.A ND2 THR 167.A OG1 no hydrogen 2.854 N/A TYR 139.A OH ASN 87.A OD1 no hydrogen 2.707 N/A GLY 140.A N VAL 184.A O no hydrogen 3.097 N/A GLY 143.A N GLU 233.A OE2 no hydrogen 2.579 N/A ALA 144.A N PHE 141.A O no hydrogen 2.943 N/A SER 146.A N GLY 143.A O no hydrogen 3.054 N/A SER 146.A OG GLY 143.A O no hydrogen 2.999 N/A ALA 147.A N ALA 144.A O no hydrogen 2.970 N/A ARG 153.A N TRP 150.A O no hydrogen 2.898 N/A ARG 153.A NH1 GLU 94.A O no hydrogen 3.175 N/A ARG 153.A NH1 TYR 152.A O no hydrogen 2.966 N/A ARG 153.A NH2 PHE 93.A O no hydrogen 3.142 N/A ALA 157.A N ARG 153.A O no hydrogen 2.788 N/A ALA 158.A N SER 154.A O no hydrogen 2.874 N/A ALA 159.A N ALA 155.A O no hydrogen 3.064 N/A LYS 160.A N PHE 156.A O no hydrogen 3.015 N/A LYS 160.A NZ TYR 139.A O no hydrogen 2.942 N/A VAL 161.A N ALA 157.A O no hydrogen 2.847 N/A GLY 162.A N ALA 158.A O no hydrogen 2.972 N/A LEU 163.A N ALA 159.A O no hydrogen 3.119 N/A VAL 164.A N LYS 160.A O no hydrogen 3.021 N/A SER 165.A N VAL 161.A O no hydrogen 3.428 N/A LEU 166.A N GLY 162.A O no hydrogen 3.017 N/A THR 167.A N LEU 163.A O no hydrogen 2.889 N/A THR 167.A OG1 LEU 163.A O no hydrogen 2.708 N/A LYS 168.A N VAL 164.A O no hydrogen 3.250 N/A LYS 168.A NZ ASP 145.A OD1 no hydrogen 2.838 N/A THR 169.A N SER 165.A O no hydrogen 2.880 N/A THR 169.A OG1 SER 165.A O no hydrogen 3.092 N/A VAL 170.A N LEU 166.A O no hydrogen 2.879 N/A ALA 171.A N THR 167.A O no hydrogen 2.997 N/A TYR 172.A N LYS 168.A O no hydrogen 2.998 N/A GLU 173.A N THR 169.A O no hydrogen 2.953 N/A GLU 174.A N VAL 170.A O no hydrogen 2.973 N/A TYR 177.A N GLU 174.A O no hydrogen 3.106 N/A GLY 178.A N ALA 175.A O no hydrogen 3.245 N/A THR 180.A N GLY 134.A O no hydrogen 2.994 N/A ALA 181.A N THR 228.A OG1 no hydrogen 3.026 N/A ASN 182.A N ILE 136.A O no hydrogen 2.977 N/A ASN 182.A ND2 ILE 227.A O no hydrogen 2.856 N/A MET 183.A N THR 230.A O no hydrogen 2.956 N/A VAL 184.A N ASN 138.A O no hydrogen 2.985 N/A CYS 185.A N ILE 232.A O no hydrogen 2.861 N/A CYS 185.A SG PHE 141.A O no hydrogen 3.461 N/A ILE 189.A N GLY 187.A O no hydrogen 2.758 N/A LYS 194.A N GLY 191.A O no hydrogen 3.307 N/A GLU 195.A N GLU 192.A O no hydrogen 3.300 N/A ALA 196.A N MET 193.A O no hydrogen 3.246 N/A THR 197.A N GLU 200.A OE1 no hydrogen 3.075 N/A THR 197.A OG1 GLU 200.A OE1 no hydrogen 3.430 N/A ILE 198.A N GLU 210.A OE1 no hydrogen 2.750 N/A GLU 200.A N THR 197.A OG1 no hydrogen 3.126 N/A ALA 201.A N THR 197.A O no hydrogen 3.131 N/A ARG 202.A N ILE 198.A O no hydrogen 2.900 N/A GLN 203.A N GLN 199.A O no hydrogen 3.025 N/A LEU 204.A N GLU 200.A O no hydrogen 3.493 N/A ARG 205.A NH1 SER 206.A O no hydrogen 2.766 N/A ARG 205.A NH1 ASP 211.A OD2 no hydrogen 3.004 N/A ARG 205.A NH2 ASP 211.A OD1 no hydrogen 2.651 N/A SER 206.A OG GLY 207.A O no hydrogen 2.842 N/A THR 208.A N ASP 211.A OD2 no hydrogen 2.784 N/A THR 208.A OG1 ALA 196.A O no hydrogen 3.440 N/A THR 208.A OG1 ASP 211.A OD2 no hydrogen 3.226 N/A GLY 209.A N MET 193.A O no hydrogen 3.255 N/A ALA 213.A N GLY 209.A O no hydrogen 2.748 N/A ARG 214.A N GLU 210.A O no hydrogen 2.751 N/A THR 215.A OG1 ASP 211.A O no hydrogen 3.092 N/A ILE 216.A N ILE 212.A O no hydrogen 2.994 N/A SER 217.A N ALA 213.A O no hydrogen 2.941 N/A SER 217.A OG ARG 214.A O no hydrogen 3.533 N/A PHE 218.A N ARG 214.A O no hydrogen 3.042 N/A LEU 219.A N THR 215.A O no hydrogen 3.129 N/A CYS 220.A N ILE 216.A O no hydrogen 2.929 N/A CYS 220.A SG ILE 216.A O no hydrogen 3.244 N/A GLU 221.A N PHE 218.A O no hydrogen 3.365 N/A SER 224.A N GLU 221.A O no hydrogen 3.173 N/A SER 224.A OG PHE 218.A O no hydrogen 2.553 N/A ILE 227.A N SER 224.A O no hydrogen 3.012 N/A THR 228.A OG1 ALA 181.A O no hydrogen 3.521 N/A GLY 229.A N ALA 181.A O no hydrogen 2.807 N/A THR 230.A N ASN 182.A OD1 no hydrogen 2.976 N/A THR 230.A OG1 ASN 182.A OD1 no hydrogen 3.564 N/A ILE 232.A N MET 183.A O no hydrogen 2.770 N/A VAL 234.A N CYS 185.A O no hydrogen 3.092 N/A ALA 237.A N THR 235.A OG1 no hydrogen 2.955 N/A HIS 242.A N ASP 239.A OD2 no hydrogen 3.028 N/A