Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3n5e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 ARG 224.A O no hydrogen 2.628 N/A GLU 5.A N HIS 3.A ND1 no hydrogen 3.028 N/A LEU 6.A N HIS 3.A O no hydrogen 3.063 N/A GLN 7.A N GLY 4.A O no hydrogen 3.126 N/A GLN 7.A NE2 GLY 4.A O no hydrogen 3.199 N/A GLN 7.A NE2 ARG 38.A O no hydrogen 2.581 N/A TYR 8.A OH MET 169.A O no hydrogen 2.647 N/A LEU 9.A N GLU 5.A O no hydrogen 2.935 N/A GLY 10.A N LEU 6.A O no hydrogen 2.852 N/A GLN 11.A N GLN 7.A O no hydrogen 2.965 N/A ILE 12.A N TYR 8.A O no hydrogen 3.113 N/A GLN 13.A N LEU 9.A O no hydrogen 2.973 N/A HIS 14.A N GLY 10.A O no hydrogen 2.838 N/A ILE 15.A N GLN 11.A O no hydrogen 3.005 N/A LEU 16.A N ILE 12.A O no hydrogen 2.878 N/A ARG 17.A N GLN 13.A O no hydrogen 3.044 N/A VAL 19.A N SER 31.A O no hydrogen 2.997 N/A LYS 21.A N THR 29.A O no hydrogen 3.132 N/A LYS 21.A NZ ASP 204.A OD2 no hydrogen 2.839 N/A ASP 23.A N THR 27.A O no hydrogen 2.911 N/A THR 25.A N ASP 23.A OD2 no hydrogen 2.982 N/A THR 25.A OG1 ASP 23.A OD2 no hydrogen 2.779 N/A THR 25.A OG1 THR 27.A OG1 no hydrogen 2.590 N/A GLY 26.A N ASP 23.A O no hydrogen 2.916 N/A THR 27.A N ASP 23.A OD2 no hydrogen 2.988 N/A THR 27.A OG1 THR 25.A OG1 no hydrogen 2.590 N/A THR 29.A N LYS 21.A O no hydrogen 2.964 N/A THR 29.A OG1 LYS 21.A O no hydrogen 2.896 N/A LEU 30.A N ILE 207.A O no hydrogen 2.798 N/A SER 31.A N VAL 19.A O no hydrogen 2.786 N/A SER 31.A OG ASP 204.A OD1 no hydrogen 2.433 N/A VAL 32.A N ALA 205.A O no hydrogen 3.015 N/A GLY 34.A N GLY 203.A O no hydrogen 2.793 N/A MET 35.A N LEU 202.A O no hydrogen 3.210 N/A GLN 36.A NE2 THR 201.A OG1 no hydrogen 2.967 N/A ALA 37.A N HIS 200.A O no hydrogen 2.955 N/A ARG 38.A N GLN 7.A OE1 no hydrogen 2.830 N/A ARG 38.A NH2 ASP 197.A OD2 no hydrogen 3.190 N/A TYR 39.A N PHE 198.A O no hydrogen 2.723 N/A LEU 41.A N GLY 196.A O no hydrogen 2.755 N/A ARG 42.A N SER 40.A OG no hydrogen 3.159 N/A ARG 42.A NE GLU 157.A OE1 no hydrogen 2.796 N/A ARG 42.A NE GLU 157.A OE2 no hydrogen 3.060 N/A ARG 42.A NH1 SER 40.A OG no hydrogen 3.409 N/A ARG 42.A NH1 ASP 197.A OD1 no hydrogen 2.821 N/A ARG 42.A NH2 GLU 157.A OE1 no hydrogen 2.987 N/A ARG 42.A NH2 ASP 197.A OD2 no hydrogen 3.051 N/A PHE 45.A N PRO 227.A O no hydrogen 2.773 N/A LEU 47.A N PHE 45.A O no hydrogen 2.763 N/A THR 49.A N GLU 5.A OE1 no hydrogen 3.151 N/A THR 49.A N GLU 5.A OE2 no hydrogen 2.733 N/A THR 49.A OG1 GLU 5.A OE2 no hydrogen 2.821 N/A THR 49.A OG1 ARG 224.A O no hydrogen 3.409 N/A THR 50.A N GLU 5.A OE1 no hydrogen 2.718 N/A THR 50.A OG1 GLU 5.A OE1 no hydrogen 2.581 N/A LYS 51.A NZ GLY 170.A O no hydrogen 2.778 N/A VAL 53.A N TYR 251.A OH no hydrogen 2.951 N/A GLY 57.A N PHE 54.A O no hydrogen 3.196 N/A VAL 58.A N PHE 54.A O no hydrogen 3.264 N/A LEU 59.A N TRP 55.A O no hydrogen 3.035 N/A GLU 60.A N LYS 56.A O no hydrogen 2.940 N/A GLU 61.A N GLY 57.A O no hydrogen 3.021 N/A LEU 62.A N VAL 58.A O no hydrogen 3.019 N/A LEU 63.A N LEU 59.A O no hydrogen 3.050 N/A TRP 64.A N GLU 60.A O no hydrogen 3.090 N/A PHE 65.A N GLU 61.A O no hydrogen 2.937 N/A ILE 66.A N LEU 62.A O no hydrogen 2.799 N/A LYS 67.A N LEU 63.A O no hydrogen 3.138 N/A GLY 68.A N PHE 65.A O no hydrogen 3.010 N/A SER 69.A OG GLU 74.A OE2 no hydrogen 3.350 N/A ASN 71.A N SER 69.A OG no hydrogen 3.228 N/A LYS 73.A N ASN 71.A OD1 no hydrogen 3.126 N/A GLU 74.A N ASN 71.A O no hydrogen 3.314 N/A LEU 75.A N ALA 72.A O no hydrogen 2.902 N/A SER 76.A N LYS 73.A O no hydrogen 3.070 N/A SER 76.A OG ALA 72.A O no hydrogen 3.063 N/A LYS 78.A N SER 76.A O no hydrogen 2.918 N/A LYS 78.A NZ SER 77.A O no hydrogen 2.910 N/A LEU 83.A N THR 70.A O no hydrogen 3.283 N/A GLN 90.A N VAL 86.A O no hydrogen 3.470 N/A GLN 90.A NE2 TRP 133.A O no hydrogen 3.348 N/A TRP 91.A N TYR 87.A O no hydrogen 3.051 N/A ARG 92.A N GLY 88.A O no hydrogen 3.005 N/A ARG 92.A NE ASP 111.A OD1 no hydrogen 2.886 N/A ARG 92.A NE ASP 111.A OD2 no hydrogen 3.312 N/A ARG 92.A NH1 ILE 66.A O no hydrogen 2.675 N/A ARG 92.A NH1 ASP 239.A OD1 no hydrogen 2.849 N/A ARG 92.A NH2 ASP 111.A OD2 no hydrogen 2.862 N/A HIS 93.A N PHE 89.A O no hydrogen 2.726 N/A PHE 94.A N VAL 110.A O no hydrogen 3.014 N/A ALA 96.A N HIS 93.A O no hydrogen 3.422 N/A ARG 99.A N TYR 105.A OH no hydrogen 3.122 N/A ARG 99.A NH2 ASP 104.A O no hydrogen 3.529 N/A TYR 105.A OH ASP 100.A O no hydrogen 2.363 N/A SER 106.A N ASP 104.A OD2 no hydrogen 3.278 N/A SER 106.A OG ASP 104.A OD2 no hydrogen 2.972 N/A GLN 108.A N TYR 105.A O no hydrogen 2.960 N/A VAL 110.A N PHE 94.A O no hydrogen 3.077 N/A GLN 112.A NE2 GLN 90.A O no hydrogen 2.936 N/A LEU 113.A N TRP 91.A O no hydrogen 3.133 N/A GLN 114.A N ASP 111.A OD1 no hydrogen 3.054 N/A GLN 114.A NE2 ASP 118.A OD1 no hydrogen 2.758 N/A ARG 115.A N ASP 111.A O no hydrogen 2.909 N/A VAL 116.A N GLN 112.A O no hydrogen 3.042 N/A ILE 117.A N LEU 113.A O no hydrogen 3.127 N/A ASP 118.A N GLN 114.A O no hydrogen 2.770 N/A THR 119.A N ARG 115.A O no hydrogen 2.959 N/A THR 119.A OG1 ARG 115.A O no hydrogen 2.792 N/A ILE 120.A N VAL 116.A O no hydrogen 3.019 N/A LYS 121.A N ILE 117.A O no hydrogen 3.241 N/A THR 122.A N ASP 118.A O no hydrogen 2.861 N/A THR 122.A OG1 ASP 118.A O no hydrogen 2.855 N/A ASN 123.A N THR 119.A O no hydrogen 2.662 N/A ASP 126.A N ASN 123.A O no hydrogen 2.922 N/A ARG 128.A N ASP 126.A OD1 no hydrogen 2.711 N/A ARG 128.A NE ASP 126.A OD1 no hydrogen 2.965 N/A ARG 128.A NE ASP 126.A OD2 no hydrogen 3.458 N/A ARG 128.A NH2 ASP 126.A OD2 no hydrogen 2.920 N/A MET 131.A N CYS 149.A O no hydrogen 2.927 N/A TRP 133.A N GLN 90.A OE1 no hydrogen 2.873 N/A TRP 133.A NE1 PRO 144.A O no hydrogen 2.840 N/A ARG 136.A N ASN 134.A OD1 no hydrogen 3.176 N/A ASP 137.A N ASN 134.A O no hydrogen 3.028 N/A LEU 138.A N PRO 135.A O no hydrogen 3.286 N/A LEU 140.A N ASP 137.A O no hydrogen 2.982 N/A HIS 146.A N ALA 132.A O no hydrogen 2.786 N/A ALA 147.A N ALA 132.A O no hydrogen 3.103 N/A LEU 148.A N TYR 163.A O no hydrogen 2.836 N/A CYS 149.A N MET 131.A O no hydrogen 2.872 N/A GLN 150.A N GLN 161.A O no hydrogen 2.803 N/A PHE 151.A N ILE 129.A O no hydrogen 2.838 N/A TYR 152.A N SER 159.A O no hydrogen 2.939 N/A VAL 154.A N GLU 157.A O no hydrogen 3.269 N/A GLU 157.A N VAL 154.A O no hydrogen 2.897 N/A LEU 158.A N LYS 194.A O no hydrogen 2.786 N/A SER 159.A N TYR 152.A O no hydrogen 2.744 N/A CYS 160.A N ASP 197.A O no hydrogen 2.927 N/A GLN 161.A N GLN 150.A O no hydrogen 2.771 N/A GLN 161.A NE2 THR 201.A OG1 no hydrogen 2.616 N/A LEU 162.A N ILE 199.A O no hydrogen 2.881 N/A TYR 163.A N LEU 148.A O no hydrogen 2.695 N/A GLN 164.A N THR 201.A O no hydrogen 2.900 N/A ARG 165.A N HIS 146.A O no hydrogen 3.022 N/A ARG 165.A NH1 ASP 137.A OD2 no hydrogen 2.846 N/A ARG 165.A NH2 ASP 137.A OD2 no hydrogen 3.206 N/A GLY 167.A N ASP 204.A O no hydrogen 2.859 N/A MET 169.A N HIS 206.A O no hydrogen 2.828 N/A LEU 171.A N ASP 168.A OD1 no hydrogen 3.284 N/A VAL 173.A N ASP 168.A O no hydrogen 2.903 N/A ASN 176.A N GLY 172.A O no hydrogen 2.896 N/A ASN 176.A ND2 GLY 172.A O no hydrogen 2.986 N/A ILE 177.A N VAL 173.A O no hydrogen 2.909 N/A ALA 178.A N PRO 174.A O no hydrogen 3.232 N/A SER 179.A N PHE 175.A O no hydrogen 2.973 N/A TYR 180.A N ASN 176.A O no hydrogen 2.950 N/A ALA 181.A N ILE 177.A O no hydrogen 3.012 N/A LEU 182.A N ALA 178.A O no hydrogen 2.975 N/A LEU 183.A N SER 179.A O no hydrogen 2.938 N/A THR 184.A N TYR 180.A O no hydrogen 3.011 N/A THR 184.A OG1 TYR 180.A O no hydrogen 2.778 N/A TYR 185.A N ALA 181.A O no hydrogen 2.990 N/A TYR 185.A OH LEU 41.A O no hydrogen 2.873 N/A TYR 185.A OH GLU 44.A O no hydrogen 2.867 N/A MET 186.A N LEU 182.A O no hydrogen 2.892 N/A ILE 187.A N LEU 183.A O no hydrogen 2.945 N/A ALA 188.A N THR 184.A O no hydrogen 2.871 N/A HIS 189.A N TYR 185.A O no hydrogen 3.087 N/A ILE 190.A N MET 186.A O no hydrogen 3.187 N/A THR 191.A N ILE 187.A O no hydrogen 3.081 N/A THR 191.A N ALA 188.A O no hydrogen 3.170 N/A THR 191.A OG1 ILE 187.A O no hydrogen 2.856 N/A THR 191.A OG1 ALA 188.A O no hydrogen 3.292 N/A LEU 193.A N ALA 188.A O no hydrogen 2.971 N/A LYS 194.A N SER 156.A O no hydrogen 2.804 N/A GLY 196.A N LEU 158.A O no hydrogen 2.711 N/A ASP 197.A N SER 159.A OG no hydrogen 3.022 N/A PHE 198.A N TYR 39.A O no hydrogen 2.819 N/A ILE 199.A N CYS 160.A O no hydrogen 2.778 N/A HIS 200.A N ALA 37.A O no hydrogen 2.723 N/A HIS 200.A NE2 GLN 164.A OE1 no hydrogen 2.512 N/A THR 201.A N LEU 162.A O no hydrogen 2.797 N/A LEU 202.A N MET 35.A O no hydrogen 2.989 N/A GLY 203.A N GLN 164.A O no hydrogen 2.846 N/A ASP 204.A N ARG 165.A O no hydrogen 3.001 N/A ALA 205.A N VAL 32.A O no hydrogen 2.840 N/A HIS 206.A N GLY 167.A O no hydrogen 2.936 N/A HIS 206.A ND1 ASP 204.A O no hydrogen 3.045 N/A ILE 207.A N LEU 30.A O no hydrogen 2.885 N/A TYR 208.A OH ASP 23.A OD1 no hydrogen 2.647 N/A LEU 209.A N GLY 28.A O no hydrogen 3.184 N/A ASN 210.A N ASN 210.A OD1 no hydrogen 2.484 N/A HIS 211.A N TYR 208.A O no hydrogen 2.943 N/A ILE 212.A N LEU 209.A O no hydrogen 3.240 N/A LEU 215.A N HIS 211.A O no hydrogen 2.953 N/A LYS 216.A N ILE 212.A O no hydrogen 2.917 N/A ILE 217.A N GLU 213.A O no hydrogen 3.286 N/A GLN 218.A N PRO 214.A O no hydrogen 2.972 N/A GLN 218.A NE2 THR 50.A OG1 no hydrogen 2.703 N/A LEU 219.A N LEU 215.A O no hydrogen 2.844 N/A GLN 220.A N ILE 217.A O no hydrogen 2.974 N/A ARG 221.A N GLN 218.A O no hydrogen 2.969 N/A ARG 221.A NH2 THR 50.A O no hydrogen 2.747 N/A ARG 221.A NH2 PRO 255.A O no hydrogen 2.759 N/A ARG 224.A N THR 49.A OG1 no hydrogen 2.957 N/A ARG 224.A NH2 ASN 252.A O no hydrogen 2.987 N/A LYS 228.A N GLU 249.A O no hydrogen 3.049 N/A ARG 230.A N GLN 247.A O no hydrogen 2.966 N/A ARG 230.A NE GLU 249.A OE2 no hydrogen 2.528 N/A ARG 230.A NH1 GLU 249.A OE1 no hydrogen 2.657 N/A ARG 230.A NH1 GLU 249.A OE2 no hydrogen 3.312 N/A LEU 232.A N ASP 245.A O no hydrogen 2.682 N/A ARG 233.A NE ASP 245.A OD1 no hydrogen 3.118 N/A ARG 233.A NH2 ASP 240.A O no hydrogen 3.057 N/A ARG 233.A NH2 ASP 245.A OD1 no hydrogen 3.453 N/A ARG 233.A NH2 ASP 245.A OD2 no hydrogen 2.674 N/A LYS 234.A NZ GLU 236.A OE1 no hydrogen 3.114 N/A VAL 235.A N HIS 189.A NE2 no hydrogen 2.966 N/A ASP 240.A N LYS 237.A O no hydrogen 2.900 N/A LYS 242.A N ASP 245.A OD2 no hydrogen 2.895 N/A ASP 245.A N LYS 242.A O no hydrogen 2.927 N/A PHE 246.A N ALA 243.A O no hydrogen 3.249 N/A GLN 247.A N ARG 230.A O no hydrogen 2.916 N/A GLU 249.A N LYS 228.A O no hydrogen 2.988 N/A TYR 251.A OH LEU 48.A O no hydrogen 2.665 N/A HIS 254.A N THR 49.A O no hydrogen 2.758 N/A HIS 254.A NE2 GLU 222.A O no hydrogen 2.791 N/A