Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nqi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N CYS 44.A O no hydrogen 2.781 N/A GLY 6.A N ILE 42.A O no hydrogen 2.954 N/A VAL 8.A N ALA 40.A O no hydrogen 2.892 N/A LYS 9.A N THR 19.A O no hydrogen 2.922 N/A VAL 10.A N ARG 39.A O no hydrogen 2.970 N/A ASN 11.A N THR 17.A O no hydrogen 2.682 N/A ARG 13.A N TYR 15.A O no hydrogen 2.689 N/A TYR 15.A N ARG 13.A O no hydrogen 2.977 N/A THR 17.A N ASN 11.A O no hydrogen 3.084 N/A THR 17.A OG1 ASN 11.A OD1 no hydrogen 2.998 N/A THR 17.A OG1 GLU 25.A OE2 no hydrogen 2.587 N/A PHE 18.A N LEU 26.A O no hydrogen 3.011 N/A THR 19.A N LYS 9.A O no hydrogen 2.898 N/A THR 19.A OG1 ASN 11.A OD1 no hydrogen 2.885 N/A ASP 20.A N THR 24.A O no hydrogen 2.959 N/A GLY 23.A N ASP 20.A O no hydrogen 2.914 N/A THR 24.A N ASP 20.A OD1 no hydrogen 2.861 N/A THR 24.A OG1 ASP 20.A OD1 no hydrogen 3.452 N/A GLU 25.A N LYS 51.A O no hydrogen 3.048 N/A LEU 26.A N PHE 18.A O no hydrogen 2.603 N/A ILE 27.A N ILE 53.A O no hydrogen 2.741 N/A THR 29.A N ILE 55.A O no hydrogen 2.851 N/A THR 29.A OG1 ASP 47.A OD2 no hydrogen 2.697 N/A THR 29.A OG1 ILE 55.A O no hydrogen 3.122 N/A ASN 30.A ND2 LEU 57.A O no hydrogen 3.086 N/A ARG 39.A N ASP 65.A OD2 no hydrogen 2.737 N/A ARG 39.A NH2 THR 107.A OG1 no hydrogen 3.030 N/A TYR 41.A N THR 62.A O no hydrogen 2.917 N/A ILE 42.A N GLY 6.A O no hydrogen 3.002 N/A TYR 43.A OH GLN 3.A OE1 no hydrogen 2.869 N/A CYS 44.A N TRP 4.A O no hydrogen 2.710 N/A CYS 44.A SG TRP 4.A O no hydrogen 3.765 N/A GLN 45.A N THR 56.A O no hydrogen 2.869 N/A VAL 46.A N GLN 2.A O no hydrogen 2.976 N/A ASP 47.A N LYS 54.A O no hydrogen 3.163 N/A ILE 53.A N GLU 25.A O no hydrogen 2.880 N/A ILE 55.A N ILE 27.A O no hydrogen 2.708 N/A THR 56.A N GLN 45.A O no hydrogen 2.843 N/A THR 56.A OG1 THR 29.A OG1 no hydrogen 3.282 N/A THR 56.A OG1 ASP 47.A OD1 no hydrogen 2.534 N/A LEU 57.A N ASN 30.A OD1 no hydrogen 2.786 N/A LEU 58.A N TYR 43.A O no hydrogen 2.805 N/A THR 62.A N TYR 41.A O no hydrogen 3.106 N/A ALA 66.A N ALA 177.A O no hydrogen 2.767 N/A ILE 69.A N LEU 136.A O no hydrogen 2.836 N/A THR 71.A N CYS 138.A O no hydrogen 2.983 N/A THR 71.A OG1 SER 77.A O no hydrogen 2.937 N/A GLY 75.A N ASP 79.A OD2 no hydrogen 2.864 N/A GLU 76.A N LYS 73.A O no hydrogen 3.358 N/A ASP 79.A N GLU 76.A O no hydrogen 2.925 N/A ASN 83.A N TYR 156.A O no hydrogen 2.950 N/A ASN 83.A ND2 VAL 158.A O no hydrogen 3.019 N/A VAL 86.A N GLN 204.A O no hydrogen 3.133 N/A GLY 87.A N LEU 113.A O no hydrogen 2.738 N/A SER 88.A N LEU 113.A O no hydrogen 3.205 N/A SER 88.A OG.A SER 90.A O no hydrogen 2.993 N/A SER 88.A OG.B SER 90.A OG.B no hydrogen 2.648 N/A LEU 89.A N TYR 222.A OH no hydrogen 3.130 N/A SER 90.A OG.A VAL 98.A O no hydrogen 2.780 N/A SER 90.A OG.B SER 88.A OG.B no hydrogen 2.648 N/A PHE 91.A N VAL 98.A O no hydrogen 3.314 N/A SER 93.A N SER 96.A O no hydrogen 2.838 N/A SER 96.A N SER 93.A O no hydrogen 3.366 N/A SER 96.A OG.B THR 97.A O no hydrogen 3.426 N/A THR 97.A OG1.A SER 90.A OG.A no hydrogen 2.651 N/A THR 97.A OG1.A PHE 91.A O no hydrogen 3.318 N/A VAL 98.A N PHE 91.A O no hydrogen 2.856 N/A PHE 101.A N VAL 109.A O no hydrogen 2.923 N/A GLN 102.A NE2 SER 104.A O no hydrogen 2.931 N/A GLN 102.A NE2 LYS 227.A O no hydrogen 2.843 N/A PHE 103.A N THR 107.A O no hydrogen 2.862 N/A SER 104.A N THR 107.A O no hydrogen 3.242 N/A ASN 106.A N SER 104.A OG no hydrogen 3.146 N/A THR 107.A N SER 104.A O no hydrogen 3.466 N/A ILE 108.A N TYR 178.A O no hydrogen 3.108 N/A VAL 109.A N PHE 101.A O no hydrogen 2.824 N/A LEU 110.A N LYS 176.A O no hydrogen 2.795 N/A VAL 112.A N SER 174.A O no hydrogen 2.686 N/A LEU 113.A N SER 88.A O no hydrogen 2.877 N/A TYR 114.A N THR 172.A O no hydrogen 2.932 N/A TYR 114.A OH SER 174.A OG no hydrogen 2.992 N/A ARG 115.A NE ASN 210.A OD1 no hydrogen 2.729 N/A ARG 115.A NH1 ASN 206.A O no hydrogen 2.953 N/A ARG 115.A NH2 PRO 85.A O no hydrogen 3.220 N/A ARG 115.A NH2 ASN 206.A O no hydrogen 2.861 N/A ARG 115.A NH2 ASN 210.A OD1 no hydrogen 3.489 N/A VAL 116.A N THR 170.A O no hydrogen 2.806 N/A LYS 117.A N GLU 128.A OE2 no hydrogen 2.989 N/A THR 121.A OG1 GLU 123.A OE1 no hydrogen 3.499 N/A GLU 123.A N GLU 123.A OE1 no hydrogen 2.608 N/A ASP 124.A N THR 121.A OG1 no hydrogen 2.889 N/A ILE 125.A N THR 121.A O no hydrogen 2.866 N/A LYS 126.A N THR 122.A O no hydrogen 3.072 N/A ASN 127.A N GLU 123.A O no hydrogen 2.878 N/A GLU 128.A N ASP 124.A O no hydrogen 2.849 N/A LEU 129.A N ILE 125.A O no hydrogen 2.921 N/A ALA 130.A N LYS 126.A O no hydrogen 3.179 N/A LYS 131.A N GLU 128.A O no hydrogen 3.035 N/A LYS 131.A NZ GLU 159.A O no hydrogen 2.814 N/A HIS 132.A N LEU 129.A O no hydrogen 3.231 N/A HIS 132.A ND1 TYR 156.A OH no hydrogen 2.713 N/A HIS 132.A NE2 GLU 128.A OE2 no hydrogen 2.933 N/A THR 133.A N LYS 157.A O no hydrogen 2.927 N/A THR 133.A OG1 LYS 157.A O no hydrogen 3.342 N/A THR 135.A N ARG 155.A O no hydrogen 2.900 N/A LEU 136.A N THR 67.A O no hydrogen 3.063 N/A VAL 137.A N TYR 153.A O no hydrogen 2.870 N/A CYS 138.A N ILE 69.A O no hydrogen 2.899 N/A TYR 139.A OH ASP 79.A OD1 no hydrogen 2.583 N/A THR 140.A N THR 71.A O no hydrogen 2.843 N/A THR 140.A OG1 THR 71.A O no hydrogen 3.503 N/A ASP 141.A N PRO 72.A O no hydrogen 2.897 N/A ASP 142.A N TYR 139.A O no hydrogen 3.097 N/A ILE 143.A N THR 140.A O no hydrogen 3.068 N/A LYS 144.A N ASP 147.A OD2.B no hydrogen 2.749 N/A GLY 146.A N SER 191.A O no hydrogen 2.777 N/A ASP 147.A N LYS 144.A O no hydrogen 3.053 N/A ILE 149.A N ASP 147.A OD1.A no hydrogen 3.132 N/A LEU 150.A N LYS 198.A O no hydrogen 2.864 N/A LEU 152.A N THR 200.A O no hydrogen 2.770 N/A TYR 153.A N VAL 137.A O no hydrogen 2.825 N/A LEU 154.A N VAL 202.A O no hydrogen 2.925 N/A ARG 155.A N THR 135.A O no hydrogen 2.703 N/A ARG 155.A NE TYR 139.A OH no hydrogen 2.939 N/A ARG 155.A NH2 TYR 139.A OH no hydrogen 3.014 N/A TYR 156.A N THR 82.A OG1 no hydrogen 3.159 N/A TYR 156.A OH HIS 132.A ND1 no hydrogen 2.713 N/A LYS 157.A N THR 133.A O no hydrogen 2.988 N/A VAL 158.A N ASN 83.A OD1 no hydrogen 2.766 N/A GLU 159.A N LYS 131.A O no hydrogen 2.932 N/A ASP 160.A N VAL 158.A O no hydrogen 2.967 N/A GLU 161.A N ASP 160.A OD1 no hydrogen 2.673 N/A ILE 165.A N GLU 161.A O no hydrogen 2.971 N/A ALA 166.A N PRO 162.A O no hydrogen 3.108 N/A GLU 167.A N ALA 163.A O no hydrogen 3.183 N/A ARG 168.A N ILE 165.A O no hydrogen 3.099 N/A ARG 168.A NE GLU 128.A OE2 no hydrogen 2.772 N/A ARG 168.A NH1 ASP 160.A OD2 no hydrogen 3.180 N/A ARG 168.A NH1 ALA 164.A O no hydrogen 3.001 N/A ARG 168.A NH2 GLU 128.A OE1 no hydrogen 2.783 N/A ARG 168.A NH2 GLU 128.A OE2 no hydrogen 3.368 N/A ARG 168.A NH2 ASP 160.A OD2 no hydrogen 3.068 N/A THR 170.A N VAL 116.A O no hydrogen 2.980 N/A THR 170.A OG1 VAL 116.A O no hydrogen 3.326 N/A THR 172.A N TYR 114.A O no hydrogen 2.903 N/A THR 172.A OG1.A THR 170.A O no hydrogen 3.398 N/A SER 174.A N VAL 112.A O no hydrogen 2.912 N/A SER 174.A OG TYR 114.A OH no hydrogen 2.992 N/A LYS 176.A N LEU 110.A O no hydrogen 2.876 N/A ALA 177.A N ILE 64.A O no hydrogen 2.793 N/A TYR 178.A N ILE 108.A O no hydrogen 2.879 N/A TYR 178.A OH PHE 134.A O no hydrogen 2.568 N/A ILE 180.A N ASN 106.A O no hydrogen 2.832 N/A SER 181.A N GLU 179.A OE1 no hydrogen 2.931 N/A SER 181.A OG.A ASN 106.A OD1 no hydrogen 2.608 N/A SER 181.A OG.A GLU 179.A OE2 no hydrogen 2.620 N/A SER 181.A OG.B GLU 179.A OE1 no hydrogen 2.716 N/A SER 181.A OG.B GLU 179.A OE2 no hydrogen 2.836 N/A LEU 184.A N ILE 180.A O no hydrogen 2.838 N/A ARG 185.A N SER 181.A O no hydrogen 2.916 N/A ARG 185.A NH1.A GLU 186.A OE2 no hydrogen 3.124 N/A ARG 185.A NH2.A GLU 186.A OE2 no hydrogen 3.501 N/A GLU 186.A N GLN 182.A O no hydrogen 3.145 N/A TYR 187.A N ILE 183.A O no hydrogen 2.924 N/A TYR 187.A OH ASP 147.A O no hydrogen 2.662 N/A THR 188.A N LEU 184.A O no hydrogen 2.916 N/A THR 188.A OG1 LEU 184.A O no hydrogen 3.364 N/A THR 188.A OG1 GLN 193.A O no hydrogen 2.845 N/A THR 188.A OG1 THR 194.A O no hydrogen 3.504 N/A LEU 189.A N ARG 185.A O no hydrogen 3.043 N/A LYS 190.A N GLU 186.A O no hydrogen 3.059 N/A SER 191.A N TYR 187.A O no hydrogen 2.876 N/A SER 191.A OG TYR 187.A O no hydrogen 2.632 N/A GLY 192.A N THR 188.A O no hydrogen 2.878 N/A GLN 193.A N SER 191.A OG no hydrogen 3.037 N/A GLN 193.A NE2 GLY 146.A O no hydrogen 2.918 N/A LYS 195.A NZ THR 228.A OG1 no hydrogen 2.812 N/A LYS 195.A NZ GLU 230.A O no hydrogen 3.390 N/A ALA 197.A N THR 148.A O no hydrogen 2.784 N/A LYS 198.A N THR 148.A O no hydrogen 3.489 N/A LYS 198.A NZ GLU 223.A OE2 no hydrogen 2.761 N/A ILE 199.A N ILE 224.A O no hydrogen 2.924 N/A THR 200.A N LEU 150.A O no hydrogen 2.829 N/A ILE 201.A N TYR 222.A O no hydrogen 2.918 N/A VAL 202.A N LEU 152.A O no hydrogen 2.882 N/A ALA 203.A N LYS 220.A O no hydrogen 2.796 N/A GLN 205.A N ILE 218.A O no hydrogen 2.828 N/A ASN 206.A N VAL 86.A O no hydrogen 2.770 N/A ASN 206.A ND2 ASN 209.A OD1 no hydrogen 3.003 N/A ASN 206.A ND2 LYS 211.A O no hydrogen 3.263 N/A ASN 206.A ND2 THR 217.A OG1 no hydrogen 3.184 N/A TYR 208.A N ASN 206.A OD1 no hydrogen 2.798 N/A ASN 209.A N ASN 206.A OD1 no hydrogen 2.943 N/A ASN 210.A ND2 ILE 165.A O no hydrogen 2.864 N/A LYS 211.A N ASN 209.A OD1 no hydrogen 2.996 N/A ASP 214.A N LYS 211.A O no hydrogen 3.310 N/A SER 216.A N ASP 214.A OD2 no hydrogen 2.765 N/A THR 217.A N ASP 214.A O no hydrogen 3.040 N/A THR 217.A OG1 LEU 212.A O no hydrogen 2.666 N/A THR 217.A OG1 ASP 214.A O no hydrogen 3.443 N/A ILE 218.A N GLN 205.A O no hydrogen 2.741 N/A LYS 220.A N ALA 203.A O no hydrogen 2.833 N/A TYR 222.A N ILE 201.A O no hydrogen 2.835 N/A TYR 222.A OH GLN 205.A OE1 no hydrogen 2.669 N/A ILE 224.A N ILE 199.A O no hydrogen 2.787 N/A TYR 226.A N ALA 197.A O no hydrogen 3.095 N/A TYR 226.A OH GLU 105.A O no hydrogen 2.580 N/A LYS 227.A N GLN 102.A OE1 no hydrogen 2.790 N/A THR 228.A OG1 GLU 230.A O no hydrogen 2.919 N/A ALA 229.A N GLU 105.A OE2 no hydrogen 2.818 N/A