Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ni3_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N LYS 1.A O no hydrogen 3.128 N/A LEU 5.A N GLY 2.A O no hydrogen 3.059 N/A PHE 6.A N GLU 3.A O no hydrogen 3.047 N/A THR 7.A OG1 GLU 4.A O no hydrogen 3.288 N/A VAL 10.A N GLY 33.A O no hydrogen 2.941 N/A ILE 12.A N GLY 31.A O no hydrogen 2.886 N/A LEU 13.A N LEU 114.A O no hydrogen 3.024 N/A VAL 14.A N GLY 29.A O no hydrogen 2.867 N/A GLU 15.A N ASN 116.A O no hydrogen 2.957 N/A LEU 16.A N VAL 27.A O no hydrogen 2.904 N/A ASP 17.A N ILE 118.A O no hydrogen 3.001 N/A GLY 18.A N PHE 25.A O no hydrogen 2.808 N/A ASP 19.A N LEU 120.A O no hydrogen 3.037 N/A VAL 20.A N HIS 23.A O no hydrogen 2.949 N/A ASN 21.A N GLY 122.A O no hydrogen 2.912 N/A ASN 21.A ND2 PHE 125.A O no hydrogen 2.885 N/A HIS 23.A N VAL 20.A O no hydrogen 2.880 N/A LYS 24.A NZ ASP 19.A OD2 no hydrogen 2.662 N/A PHE 25.A N GLY 18.A O no hydrogen 2.992 N/A SER 26.A N THR 48.A OG1 no hydrogen 3.146 N/A SER 26.A OG ASP 17.A OD1 no hydrogen 2.837 N/A VAL 27.A N LEU 16.A O no hydrogen 2.921 N/A ARG 28.A N ILE 45.A O no hydrogen 3.028 N/A ARG 28.A NE GLU 30.A OE2 no hydrogen 2.886 N/A ARG 28.A NH1 GLU 30.A OE2 no hydrogen 3.153 N/A GLY 29.A N VAL 14.A O no hydrogen 2.803 N/A GLU 30.A N LYS 43.A O no hydrogen 3.100 N/A GLY 31.A N ILE 12.A O no hydrogen 3.128 N/A GLU 32.A N THR 41.A O no hydrogen 2.931 N/A GLY 33.A N VAL 10.A O no hydrogen 2.923 N/A ASP 34.A N LYS 39.A O no hydrogen 2.781 N/A THR 36.A OG1 THR 7.A O no hydrogen 3.407 N/A ASN 37.A N ASP 34.A O no hydrogen 3.099 N/A GLY 38.A N ALA 35.A O no hydrogen 3.070 N/A LYS 39.A N ASP 34.A O no hydrogen 2.982 N/A LEU 40.A N GLU 217.A O no hydrogen 2.853 N/A THR 41.A N GLU 32.A O no hydrogen 3.015 N/A LEU 42.A N LEU 215.A O no hydrogen 2.980 N/A LYS 43.A N GLU 30.A O no hydrogen 3.009 N/A LYS 43.A NZ ASP 205.A OD2 no hydrogen 2.959 N/A LYS 43.A NZ GLU 208.A OE1 no hydrogen 2.863 N/A PHE 44.A N MET 213.A O no hydrogen 2.806 N/A ILE 45.A N ARG 28.A O no hydrogen 2.880 N/A CYS 46.A N ASP 211.A O no hydrogen 2.941 N/A CYS 46.A SG SER 26.A O no hydrogen 3.653 N/A CYS 46.A SG THR 48.A OG1 no hydrogen 3.332 N/A CYS 46.A SG GLY 49.A O no hydrogen 3.300 N/A THR 47.A N SER 26.A O no hydrogen 2.990 N/A THR 47.A OG1 SER 26.A O no hydrogen 3.399 N/A LEU 51.A N ASP 211.A OD2 no hydrogen 2.858 N/A TRP 55.A NE1 ASP 211.A OD1 no hydrogen 2.936 N/A THR 57.A N PRO 54.A O no hydrogen 2.963 N/A THR 57.A OG1 PRO 54.A O no hydrogen 2.822 N/A THR 57.A OG1 TYR 101.A OH no hydrogen 2.828 N/A LEU 58.A N TRP 55.A O no hydrogen 2.943 N/A VAL 59.A N PRO 56.A O no hydrogen 3.342 N/A THR 60.A OG1 HIS 176.A NE2 no hydrogen 2.690 N/A LEU 62.A N LEU 58.A O no hydrogen 2.929 N/A PHE 66.A N VAL 63.A O no hydrogen 2.997 N/A SER 67.A N GLN 64.A O no hydrogen 3.133 N/A SER 67.A OG GLN 64.A O no hydrogen 2.776 N/A ARG 68.A N VAL 219.A O no hydrogen 2.891 N/A TYR 69.A OH HIS 194.A NE2 no hydrogen 2.696 N/A HIS 72.A NE2 ILE 224.A O no hydrogen 2.773 N/A MET 73.A N PRO 70.A O no hydrogen 2.770 N/A LYS 74.A N ASP 71.A O no hydrogen 3.299 N/A LYS 74.A NZ TYR 69.A O no hydrogen 3.230 N/A HIS 76.A N MET 73.A O no hydrogen 2.887 N/A ASP 77.A N LYS 74.A O no hydrogen 3.299 N/A PHE 78.A N HIS 76.A O no hydrogen 3.206 N/A LYS 80.A N ASP 77.A OD1 no hydrogen 3.207 N/A LYS 80.A NZ CYS 65.A O no hydrogen 2.895 N/A LYS 80.A NZ SER 67.A O no hydrogen 2.843 N/A LYS 80.A NZ ASP 77.A OD2 no hydrogen 2.819 N/A SER 81.A N ASP 77.A O no hydrogen 3.430 N/A SER 81.A OG PHE 78.A O no hydrogen 2.719 N/A ALA 82.A N PHE 78.A O no hydrogen 3.192 N/A MET 83.A N LYS 80.A O no hydrogen 3.028 N/A GLY 86.A N ALA 82.A O no hydrogen 2.829 N/A TYR 87.A N VAL 107.A O no hydrogen 2.965 N/A VAL 88.A N THR 181.A O no hydrogen 2.852 N/A GLN 89.A N ALA 105.A O no hydrogen 2.847 N/A GLU 90.A N GLN 179.A O no hydrogen 2.907 N/A ARG 91.A N THR 103.A O no hydrogen 3.043 N/A ARG 91.A NE GLN 178.A OE1 no hydrogen 2.891 N/A ARG 91.A NH1 THR 60.A O no hydrogen 2.845 N/A ARG 91.A NH2 GLN 178.A OE1 no hydrogen 2.845 N/A THR 92.A N TYR 177.A O no hydrogen 3.047 N/A ILE 93.A N TYR 101.A O no hydrogen 2.863 N/A SER 94.A N ASP 175.A O no hydrogen 2.843 N/A PHE 95.A N GLY 99.A O no hydrogen 2.988 N/A LYS 96.A N LEU 173.A O no hydrogen 2.992 N/A LYS 96.A NZ ASP 97.A OD1 no hydrogen 3.412 N/A LYS 96.A NZ ASP 97.A OD2 no hydrogen 3.457 N/A ASP 98.A N PHE 95.A O no hydrogen 2.894 N/A GLY 99.A N ASP 98.A OD1 no hydrogen 2.827 N/A THR 100.A N ILE 123.A O no hydrogen 3.004 N/A TYR 101.A N ILE 93.A O no hydrogen 2.845 N/A TYR 101.A OH THR 57.A OG1 no hydrogen 2.828 N/A LYS 102.A N LYS 121.A O no hydrogen 2.753 N/A LYS 102.A NZ THR 92.A OG1 no hydrogen 2.785 N/A THR 103.A N ARG 91.A O no hydrogen 2.961 N/A ARG 104.A N GLU 119.A O no hydrogen 2.995 N/A ARG 104.A NH1 GLU 106.A OE2 no hydrogen 3.417 N/A ARG 104.A NH2 GLU 106.A OE2 no hydrogen 3.183 N/A ALA 105.A N GLN 89.A O no hydrogen 2.851 N/A GLU 106.A N ARG 117.A O no hydrogen 2.969 N/A VAL 107.A N TYR 87.A O no hydrogen 2.930 N/A LYS 108.A N VAL 115.A O no hydrogen 3.052 N/A LYS 108.A NZ GLU 106.A OE1 no hydrogen 3.198 N/A PHE 109.A N PRO 84.A O no hydrogen 3.265 N/A GLU 110.A N THR 113.A O no hydrogen 2.871 N/A THR 113.A N GLU 110.A O no hydrogen 3.208 N/A LEU 114.A N PRO 11.A O no hydrogen 2.941 N/A VAL 115.A N LYS 108.A O no hydrogen 2.865 N/A ASN 116.A N LEU 13.A O no hydrogen 2.958 N/A ASN 116.A ND2 THR 61.A O no hydrogen 3.423 N/A ASN 116.A ND2 LEU 62.A O no hydrogen 3.022 N/A ARG 117.A N GLU 106.A O no hydrogen 2.987 N/A ARG 117.A NH1 GLU 15.A OE1 no hydrogen 2.873 N/A ARG 117.A NH2 GLU 110.A OE2 no hydrogen 2.703 N/A ILE 118.A N GLU 15.A O no hydrogen 2.793 N/A GLU 119.A N ARG 104.A O no hydrogen 2.922 N/A LEU 120.A N ASP 17.A O no hydrogen 2.929 N/A LYS 121.A N LYS 102.A O no hydrogen 2.909 N/A LYS 121.A NZ.A ASP 19.A O no hydrogen 3.235 N/A LYS 121.A NZ.A ASP 19.A OD1 no hydrogen 2.809 N/A LYS 121.A NZ.A GLY 122.A O no hydrogen 2.812 N/A GLY 122.A N ASP 19.A O no hydrogen 2.809 N/A ILE 123.A N THR 100.A O no hydrogen 3.025 N/A PHE 125.A N ASN 21.A OD1 no hydrogen 3.122 N/A LYS 126.A N ASP 98.A OD1 no hydrogen 2.887 N/A LYS 126.A NZ ASP 97.A O no hydrogen 2.920 N/A GLY 129.A N LYS 126.A O no hydrogen 3.121 N/A GLY 133.A N GLY 129.A O no hydrogen 2.863 N/A HIS 134.A N ILE 131.A O no hydrogen 3.057 N/A LYS 135.A N ASN 130.A O no hydrogen 3.015 N/A LYS 135.A NZ ASP 128.A O no hydrogen 2.886 N/A LYS 135.A NZ ASP 128.A OD2 no hydrogen 3.159 N/A GLU 137.A N ASN 165.A O no hydrogen 2.970 N/A TYR 138.A OH SER 203.A O no hydrogen 2.744 N/A ASN 139.A N GLU 137.A O no hydrogen 2.986 N/A ASN 139.A ND2 GLU 137.A OE1 no hydrogen 2.964 N/A SER 142.A OG.B THR 198.A O no hydrogen 2.592 N/A HIS 143.A N THR 198.A OG1 no hydrogen 3.075 N/A ASN 144.A ND2 TYR 146.A OH no hydrogen 3.046 N/A VAL 145.A N LEU 196.A O no hydrogen 2.862 N/A TYR 146.A N ASN 159.A O no hydrogen 3.090 N/A ILE 147.A N HIS 194.A O no hydrogen 2.843 N/A THR 148.A N LYS 157.A O no hydrogen 2.923 N/A ASP 150.A N GLY 155.A O no hydrogen 2.777 N/A LYS 153.A N ASP 150.A O no hydrogen 3.076 N/A ASN 154.A N LYS 151.A O no hydrogen 2.971 N/A GLY 155.A N ASP 150.A O no hydrogen 3.080 N/A ILE 156.A N ASN 180.A O no hydrogen 3.111 N/A LYS 157.A N THR 148.A O no hydrogen 2.902 N/A LYS 157.A NZ ALA 149.A O no hydrogen 2.888 N/A ALA 158.A N GLN 178.A O no hydrogen 2.906 N/A ASN 159.A N TYR 146.A O no hydrogen 3.026 N/A PHE 160.A N HIS 176.A O no hydrogen 3.144 N/A LYS 161.A NZ ASP 175.A OD1 no hydrogen 2.775 N/A ILE 162.A N ALA 174.A O no hydrogen 2.985 N/A HIS 164.A N GLN 172.A O no hydrogen 2.882 N/A VAL 166.A N SER 170.A O no hydrogen 2.940 N/A GLU 167.A N LYS 135.A O no hydrogen 2.882 N/A GLY 169.A N VAL 166.A O no hydrogen 2.962 N/A SER 170.A N ASP 168.A OD1 no hydrogen 2.989 N/A SER 170.A OG ASP 168.A OD1 no hydrogen 2.606 N/A GLN 172.A N HIS 164.A O no hydrogen 2.819 N/A ALA 174.A N ILE 162.A O no hydrogen 2.838 N/A ASP 175.A N SER 94.A O no hydrogen 2.899 N/A HIS 176.A N PHE 160.A O no hydrogen 2.815 N/A HIS 176.A ND1 ALA 174.A O no hydrogen 2.988 N/A HIS 176.A NE2 THR 60.A OG1 no hydrogen 2.690 N/A TYR 177.A N THR 92.A O no hydrogen 2.997 N/A GLN 178.A N ALA 158.A O no hydrogen 2.908 N/A GLN 178.A NE2 GLN 64.A OE1 no hydrogen 2.873 N/A GLN 179.A N GLU 90.A O no hydrogen 2.944 N/A ASN 180.A N ILE 156.A O no hydrogen 2.941 N/A THR 181.A N VAL 88.A O no hydrogen 3.012 N/A ILE 183.A N GLY 86.A O no hydrogen 2.878 N/A LEU 189.A N SER 81.A OG no hydrogen 2.967 N/A ASP 192.A N HIS 76.A ND1 no hydrogen 3.037 N/A HIS 194.A N ILE 147.A O no hydrogen 3.211 N/A HIS 194.A ND1 ASP 192.A O no hydrogen 2.870 N/A HIS 194.A NE2 TYR 69.A OH no hydrogen 2.696 N/A TYR 195.A N ALA 222.A O no hydrogen 3.013 N/A LEU 196.A N VAL 145.A O no hydrogen 2.894 N/A SER 197.A N THR 220.A O no hydrogen 2.825 N/A SER 197.A OG ASN 144.A OD1 no hydrogen 3.561 N/A THR 198.A N HIS 143.A O no hydrogen 2.907 N/A THR 198.A OG1 HIS 143.A O no hydrogen 3.004 N/A LYS 199.A N PHE 218.A O no hydrogen 2.980 N/A LYS 199.A NZ SER 197.A OG no hydrogen 3.420 N/A SER 200.A OG GLU 217.A OE1 no hydrogen 3.343 N/A VAL 201.A N LEU 216.A O no hydrogen 2.825 N/A SER 203.A N VAL 214.A O no hydrogen 2.894 N/A LYS 204.A NZ HIS 212.A O no hydrogen 2.770 N/A ASP 205.A N HIS 212.A NE2 no hydrogen 2.816 N/A ASN 207.A N ASP 205.A OD1 no hydrogen 2.982 N/A GLU 208.A N ASP 205.A O no hydrogen 3.071 N/A ARG 210.A N GLU 208.A OE2 no hydrogen 2.908 N/A ARG 210.A NE GLU 208.A OE2 no hydrogen 2.797 N/A ARG 210.A NH1 GLU 208.A OE1 no hydrogen 3.066 N/A HIS 212.A ND1 ARG 210.A O no hydrogen 2.874 N/A MET 213.A N PHE 44.A O no hydrogen 2.894 N/A VAL 214.A N SER 203.A O no hydrogen 2.980 N/A LEU 215.A N LEU 42.A O no hydrogen 2.861 N/A LEU 216.A N VAL 201.A O no hydrogen 3.010 N/A GLU 217.A N LEU 40.A O no hydrogen 2.969 N/A PHE 218.A N LYS 199.A O no hydrogen 2.958 N/A VAL 219.A N GLY 38.A O no hydrogen 2.806 N/A THR 220.A N SER 197.A O no hydrogen 3.068 N/A ALA 221.A N ARG 68.A O no hydrogen 2.869 N/A ALA 222.A N TYR 195.A O no hydrogen 2.880 N/A GLY 227.A N THR 225.A OG1 no hydrogen 3.014 N/A