Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nii_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N ILE 10.A O.A no hydrogen 3.040 N/A GLU 2.A N ILE 10.A O.B no hydrogen 2.905 N/A LEU 4.A N ALA 8.A O no hydrogen 3.219 N/A ALA 5.A N ALA 8.A O no hydrogen 3.484 N/A ALA 8.A N ALA 5.A O no hydrogen 2.994 N/A VAL 9.A N VAL 163.A O no hydrogen 2.843 N/A ILE 10.A N.A GLU 2.A O no hydrogen 3.055 N/A ILE 10.A N.B GLU 2.A O no hydrogen 3.033 N/A LEU 11.A N VAL 161.A O no hydrogen 2.690 N/A ARG 13.A N ASP 160.A OD1 no hydrogen 2.794 N/A ARG 13.A NH1 HIS 158.A O no hydrogen 2.697 N/A PHE 14.A N LEU 11.A O no hydrogen 3.295 N/A ALA 15.A N GLY 159.A O no hydrogen 2.792 N/A PHE 16.A N ARG 13.A O no hydrogen 3.141 N/A ALA 19.A N PHE 16.A O no hydrogen 3.307 N/A GLN 21.A NE2 ASP 25.A OD2 no hydrogen 2.833 N/A LEU 22.A N ALA 18.A O no hydrogen 3.025 N/A ILE 23.A N ALA 19.A O no hydrogen 2.935 N/A ARG 24.A N GLU 20.A O no hydrogen 3.009 N/A ARG 24.A NE GLN 21.A OE1 no hydrogen 3.093 N/A ARG 24.A NH2 GLN 21.A OE1 no hydrogen 2.562 N/A ASP 25.A N GLN 21.A O no hydrogen 2.893 N/A ILE 26.A N LEU 22.A O no hydrogen 2.849 N/A ASN 27.A N ILE 23.A O no hydrogen 3.056 N/A ASP 28.A N ARG 24.A O no hydrogen 3.029 N/A VAL 29.A N ASP 25.A O no hydrogen 2.927 N/A ALA 30.A N ILE 26.A O no hydrogen 2.917 N/A SER 31.A N ASN 27.A O no hydrogen 2.934 N/A SER 31.A N ASP 28.A O no hydrogen 3.270 N/A SER 31.A OG ASP 28.A O no hydrogen 2.775 N/A GLN 32.A N VAL 29.A O no hydrogen 2.997 N/A SER 33.A N VAL 29.A O no hydrogen 2.916 N/A SER 33.A OG ASP 71.A OD2 no hydrogen 2.663 N/A ARG 36.A N MET 50.A O no hydrogen 2.892 N/A ARG 36.A NE PRO 34.A O no hydrogen 2.987 N/A ARG 36.A NH1 ASP 71.A OD1 no hydrogen 2.766 N/A ARG 36.A NH2 PRO 34.A O no hydrogen 2.898 N/A ARG 36.A NH2 ASP 71.A OD1 no hydrogen 3.308 N/A ARG 36.A NH2 ASP 71.A OD2 no hydrogen 2.795 N/A GLN 37.A NE2 MET 46.A O no hydrogen 2.836 N/A THR 40.A N TYR 44.A O no hydrogen 2.806 N/A THR 40.A OG1 TYR 44.A O no hydrogen 3.363 N/A GLY 43.A N THR 40.A O no hydrogen 3.004 N/A TYR 44.A N THR 40.A OG1 no hydrogen 3.071 N/A MET 46.A N MET 38.A O.A no hydrogen 2.833 N/A MET 46.A N MET 38.A O.B no hydrogen 2.815 N/A ALA 49.A N ARG 110.A O no hydrogen 3.015 N/A MET 50.A N ARG 36.A O no hydrogen 2.783 N/A THR 51.A N ILE 108.A O no hydrogen 2.938 N/A THR 51.A OG1 SER 33.A O no hydrogen 2.694 N/A ASN 52.A N THR 51.A OG1 no hydrogen 2.840 N/A ASN 52.A ND2 TRP 58.A O no hydrogen 3.015 N/A CYS 53.A N CYS 106.A O no hydrogen 2.861 N/A GLY 54.A N PRO 79.A O no hydrogen 2.788 N/A HIS 55.A N.B ASP 104.A O no hydrogen 2.978 N/A LEU 56.A N ASP 104.A O no hydrogen 3.002 N/A GLY 57.A N SER 68.A O no hydrogen 2.894 N/A TRP 58.A N ASN 52.A OD1 no hydrogen 3.077 N/A THR 59.A N.A LEU 66.A O no hydrogen 2.813 N/A THR 59.A N.B LEU 66.A O no hydrogen 2.795 N/A THR 59.A OG1.A THR 60.A O no hydrogen 3.259 N/A THR 59.A OG1.B LEU 66.A O no hydrogen 3.025 N/A THR 60.A OG1 VAL 39.A O no hydrogen 2.642 N/A HIS 61.A N GLY 64.A O no hydrogen 2.996 N/A HIS 61.A ND1 GLY 64.A O no hydrogen 3.182 N/A GLN 63.A N GLN 63.A OE1 no hydrogen 2.841 N/A GLY 64.A N HIS 61.A O no hydrogen 3.513 N/A LEU 66.A N THR 59.A O.A no hydrogen 2.828 N/A LEU 66.A N THR 59.A O.B no hydrogen 3.023 N/A SER 68.A N GLY 57.A O no hydrogen 2.862 N/A SER 68.A OG ILE 70.A O no hydrogen 3.291 N/A ILE 70.A N SER 68.A OG no hydrogen 3.294 N/A ASP 71.A N LYS 76.A O no hydrogen 2.832 N/A GLN 73.A N ASP 71.A OD1 no hydrogen 2.818 N/A THR 74.A N ASP 71.A O no hydrogen 3.201 N/A THR 74.A OG1 ASP 71.A O no hydrogen 3.502 N/A THR 74.A OG1 LYS 76.A O no hydrogen 3.540 N/A ASN 75.A N ASP 71.A O no hydrogen 2.676 N/A LYS 76.A N THR 74.A OG1 no hydrogen 3.157 N/A TRP 78.A NE1 SER 68.A O no hydrogen 2.837 N/A SER 84.A OG ASP 25.A OD2 no hydrogen 2.600 N/A HIS 86.A N PRO 82.A O no hydrogen 2.862 N/A ASN 87.A N GLN 83.A O no hydrogen 2.851 N/A LEU 88.A N SER 84.A O no hydrogen 3.076 N/A CYS 89.A N PHE 85.A O no hydrogen 2.954 N/A GLN 90.A N HIS 86.A O no hydrogen 3.034 N/A ARG 91.A N.A ASN 87.A O no hydrogen 3.057 N/A ARG 91.A N.B ASN 87.A O no hydrogen 3.058 N/A ARG 91.A NE.B ASN 87.A OD1 no hydrogen 2.922 N/A ARG 91.A NH2.B ASN 87.A OD1 no hydrogen 3.309 N/A ALA 92.A N LEU 88.A O no hydrogen 2.873 N/A ALA 93.A N CYS 89.A O no hydrogen 2.770 N/A THR 94.A N GLN 90.A O no hydrogen 2.939 N/A THR 94.A OG1 GLN 90.A O no hydrogen 2.842 N/A ALA 95.A N ARG 91.A O.A no hydrogen 2.999 N/A ALA 95.A N ARG 91.A O.B no hydrogen 3.021 N/A ALA 96.A N ALA 92.A O no hydrogen 2.987 N/A ALA 96.A N ALA 93.A O no hydrogen 3.212 N/A GLY 97.A N THR 94.A O no hydrogen 2.977 N/A TYR 98.A N ALA 93.A O no hydrogen 2.749 N/A TYR 98.A OH GLY 7.A O no hydrogen 2.722 N/A PHE 101.A N TYR 98.A O no hydrogen 3.350 N/A ASP 104.A N ARG 196.A O no hydrogen 2.940 N/A CYS 106.A N CYS 53.A O no hydrogen 3.017 N/A CYS 106.A SG LEU 107.A O no hydrogen 4.044 N/A CYS 106.A SG THR 194.A O no hydrogen 4.012 N/A LEU 107.A N THR 194.A O no hydrogen 2.871 N/A ILE 108.A N THR 51.A O no hydrogen 2.810 N/A ASN 109.A N.A ASN 192.A O no hydrogen 2.901 N/A ASN 109.A N.B ASN 192.A O no hydrogen 2.912 N/A ASN 109.A ND2.B TYR 111.A OH no hydrogen 3.235 N/A ARG 110.A N ALA 49.A O no hydrogen 2.712 N/A TYR 111.A N ARG 190.A O no hydrogen 2.740 N/A GLY 114.A N LEU 178.A O no hydrogen 2.769 N/A ALA 115.A N ALA 112.A O no hydrogen 2.891 N/A LYS 116.A N SER 47.A OG no hydrogen 3.008 N/A LEU 117.A N ILE 175.A O no hydrogen 2.991 N/A HIS 120.A N HIS 173.A O no hydrogen 2.912 N/A HIS 120.A ND1 CYS 118.A O no hydrogen 2.976 N/A GLN 121.A NE2 LEU 170.A O no hydrogen 2.765 N/A ILE 129.A N TRP 164.A O no hydrogen 2.751 N/A VAL 130.A N PHE 195.A O no hydrogen 3.256 N/A SER 131.A N VAL 162.A O no hydrogen 2.791 N/A SER 131.A OG ASN 192.A OD1 no hydrogen 3.128 N/A VAL 132.A N LEU 193.A O no hydrogen 2.822 N/A SER 133.A N ASP 160.A O no hydrogen 2.827 N/A LEU 134.A N TYR 191.A O no hydrogen 2.753 N/A LEU 136.A N CYS 189.A O no hydrogen 3.146 N/A ALA 138.A N LEU 156.A O no hydrogen 3.068 N/A PHE 140.A N LEU 154.A O no hydrogen 2.839 N/A GLN 141.A N GLY 174.A O no hydrogen 2.757 N/A GLN 141.A NE2 GLN 176.A OE1 no hydrogen 2.908 N/A PHE 142.A N LYS 152.A O no hydrogen 2.869 N/A GLY 143.A N TYR 172.A O no hydrogen 2.803 N/A LYS 146.A N ASP 149.A OD2 no hydrogen 3.096 N/A ASP 149.A N LYS 146.A O no hydrogen 2.939 N/A LYS 152.A N PHE 142.A O no hydrogen 2.808 N/A LYS 152.A NZ LEU 4.A O no hydrogen 2.842 N/A ARG 153.A NE GLN 176.A OE1 no hydrogen 2.750 N/A LEU 154.A N PHE 140.A O no hydrogen 2.837 N/A LEU 156.A N ALA 138.A O no hydrogen 2.798 N/A GLU 157.A N ASP 160.A OD2 no hydrogen 2.858 N/A GLY 159.A N SER 133.A O no hydrogen 2.776 N/A ASP 160.A N GLU 157.A O no hydrogen 2.890 N/A VAL 161.A N LEU 11.A O no hydrogen 3.017 N/A VAL 162.A N SER 131.A O no hydrogen 2.816 N/A VAL 163.A N VAL 9.A O no hydrogen 2.945 N/A TRP 164.A N ILE 129.A O no hydrogen 3.046 N/A SER 168.A N GLY 165.A O no hydrogen 3.056 N/A SER 168.A OG ALA 6.A O no hydrogen 2.794 N/A SER 168.A OG GLY 165.A O no hydrogen 2.979 N/A ARG 169.A N.A GLY 166.A O no hydrogen 3.182 N/A ARG 169.A N.B GLY 166.A O no hydrogen 3.195 N/A ARG 169.A NE.A ALA 127.A O no hydrogen 2.471 N/A ARG 169.A NH1.A ALA 127.A O no hydrogen 3.432 N/A ARG 169.A NH2.A ASP 122.A O no hydrogen 2.888 N/A ARG 169.A NH2.A ARG 169.A O.A no hydrogen 2.973 N/A PHE 171.A N SER 168.A O no hydrogen 3.120 N/A TYR 172.A N GLY 144.A O no hydrogen 2.837 N/A HIS 173.A N HIS 120.A O no hydrogen 2.941 N/A HIS 173.A ND1 PHE 171.A O no hydrogen 3.080 N/A GLY 174.A N GLN 141.A O no hydrogen 3.048 N/A ILE 175.A N LEU 117.A O no hydrogen 2.835 N/A GLN 176.A N ILE 139.A O no hydrogen 2.943 N/A LEU 178.A N ALA 115.A O no hydrogen 2.893 N/A HIS 183.A N ILE 187.A O no hydrogen 3.058 N/A LEU 185.A N HIS 183.A ND1 no hydrogen 3.179 N/A THR 186.A OG1 CYS 189.A O no hydrogen 2.736 N/A ILE 187.A N HIS 183.A O no hydrogen 2.744 N/A ASP 188.A N THR 186.A O no hydrogen 2.828 N/A CYS 189.A SG THR 186.A O no hydrogen 3.756 N/A ARG 190.A N TYR 111.A O no hydrogen 3.020 N/A ARG 190.A NH2 SER 133.A OG no hydrogen 2.836 N/A TYR 191.A N LEU 134.A O no hydrogen 2.731 N/A ASN 192.A N ASN 109.A O.A no hydrogen 2.920 N/A ASN 192.A N ASN 109.A O.B no hydrogen 3.035 N/A ASN 192.A ND2 SER 131.A OG no hydrogen 3.237 N/A LEU 193.A N VAL 132.A O no hydrogen 2.890 N/A THR 194.A N LEU 107.A O no hydrogen 2.863 N/A THR 194.A OG1 ASN 192.A OD1 no hydrogen 3.056 N/A PHE 195.A N VAL 130.A O no hydrogen 2.782 N/A ARG 196.A N ALA 105.A O no hydrogen 2.992 N/A ARG 196.A NH1 TYR 67.A OH no hydrogen 2.559 N/A ARG 196.A NH1 LYS 123.A O no hydrogen 2.908 N/A ALA 198.A N ASP 104.A OD1 no hydrogen 2.666 N/A GLY 199.A N ASP 104.A OD2 no hydrogen 2.868 N/A