Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1iaa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N ARG 135.A O no hydrogen 2.876 N/A ILE 3.A N GLY 99.A O no hydrogen 2.864 N/A TYR 8.A N GLY 5.A O no hydrogen 3.167 N/A LEU 9.A N ASP 6.A O no hydrogen 3.067 N/A TRP 10.A N TYR 194.A OH no hydrogen 3.106 N/A TRP 10.A NE1 ALA 97.A O no hydrogen 2.900 N/A GLY 12.A N GLU 197.A OE1 no hydrogen 2.860 N/A GLY 13.A N TRP 10.A O no hydrogen 2.860 N/A VAL 14.A N SER 11.A O no hydrogen 3.197 N/A ILE 15.A N ARG 44.A O no hydrogen 2.838 N/A TYR 17.A N VAL 46.A O no hydrogen 2.852 N/A THR 18.A N VAL 55.A O no hydrogen 2.804 N/A ALA 20.A N ILE 57.A O no hydrogen 2.782 N/A ASP 26.A N SER 23.A OG no hydrogen 3.104 N/A GLN 27.A N SER 23.A O no hydrogen 2.787 N/A GLN 27.A NE2 VAL 22.A O no hydrogen 2.929 N/A SER 28.A N GLY 24.A O no hydrogen 2.958 N/A SER 28.A OG GLY 24.A O no hydrogen 2.841 N/A ALA 29.A N ALA 25.A O no hydrogen 3.261 N/A ILE 30.A N ASP 26.A O no hydrogen 2.954 N/A LEU 31.A N GLN 27.A O no hydrogen 2.929 N/A SER 32.A N SER 28.A O no hydrogen 3.114 N/A GLY 33.A N ALA 29.A O no hydrogen 3.015 N/A MET 34.A N ILE 30.A O no hydrogen 2.907 N/A GLN 35.A N LEU 31.A O no hydrogen 2.780 N/A GLN 35.A NE2 GLU 39.A OE2 no hydrogen 3.082 N/A GLU 36.A N SER 32.A O no hydrogen 3.258 N/A LEU 37.A N GLY 33.A O no hydrogen 3.392 N/A GLU 38.A N MET 34.A O no hydrogen 2.940 N/A GLU 39.A N GLN 35.A O no hydrogen 2.909 N/A LYS 40.A N GLU 36.A O no hydrogen 3.118 N/A LYS 40.A NZ GLU 36.A OE2 no hydrogen 3.031 N/A THR 41.A N LEU 37.A O no hydrogen 2.888 N/A THR 41.A OG1 LEU 37.A O no hydrogen 2.763 N/A CYS 42.A N ASN 191.A OD1 no hydrogen 3.135 N/A ILE 43.A N THR 41.A OG1 no hydrogen 3.184 N/A ARG 44.A N GLY 13.A O no hydrogen 2.951 N/A ARG 44.A NH1 GLU 38.A O no hydrogen 2.971 N/A ARG 44.A NH1 THR 41.A O no hydrogen 2.969 N/A ARG 44.A NH1 ILE 43.A O no hydrogen 2.953 N/A PHE 45.A N GLU 38.A OE2 no hydrogen 2.818 N/A VAL 46.A N ILE 15.A O no hydrogen 2.999 N/A ARG 48.A N TYR 17.A O no hydrogen 2.921 N/A ARG 48.A NE GLU 51.A O no hydrogen 2.812 N/A ARG 48.A NH2 GLU 51.A O no hydrogen 2.914 N/A THR 49.A N GLU 51.A OE1 no hydrogen 2.784 N/A THR 50.A N THR 49.A OG1 no hydrogen 2.753 N/A GLU 51.A N GLU 51.A OE1 no hydrogen 2.775 N/A TYR 54.A N GLY 73.A O no hydrogen 3.184 N/A VAL 55.A N PRO 16.A O no hydrogen 2.857 N/A GLU 56.A N GLN 75.A O no hydrogen 2.797 N/A ILE 57.A N THR 18.A O no hydrogen 2.917 N/A PHE 58.A N VAL 77.A O no hydrogen 3.216 N/A GLY 63.A N GLN 80.A OE1 no hydrogen 2.900 N/A TRP 65.A N SER 78.A O no hydrogen 3.051 N/A SER 66.A OG TYR 67.A O no hydrogen 2.834 N/A SER 66.A OG GLU 93.A O no hydrogen 3.336 N/A GLY 69.A N HIS 96.A O no hydrogen 2.916 N/A ARG 70.A N TYR 8.A O no hydrogen 2.862 N/A ILE 71.A N GLN 75.A OE1 no hydrogen 3.086 N/A SER 72.A OG ILE 71.A O no hydrogen 2.648 N/A GLY 73.A N ASP 53.A OD1 no hydrogen 2.850 N/A GLN 75.A N TYR 54.A O no hydrogen 2.894 N/A GLN 75.A NE2 GLY 69.A O no hydrogen 2.958 N/A GLN 76.A NE2 GLU 56.A OE2 no hydrogen 3.080 N/A VAL 77.A N GLU 56.A O no hydrogen 2.896 N/A SER 78.A N TRP 65.A O no hydrogen 2.969 N/A SER 78.A OG GLY 63.A O no hydrogen 2.794 N/A LEU 79.A N PHE 58.A O no hydrogen 3.014 N/A GLN 80.A N GLY 63.A O no hydrogen 3.343 N/A ALA 81.A N THR 59.A O no hydrogen 2.970 N/A CYS 84.A N GLN 80.A O no hydrogen 3.039 N/A TYR 86.A N CYS 84.A O no hydrogen 2.860 N/A HIS 87.A NE2 GLU 36.A OE1 no hydrogen 2.720 N/A ILE 90.A N TYR 86.A O no hydrogen 2.870 N/A ILE 91.A N HIS 87.A O no hydrogen 3.044 N/A HIS 92.A N GLY 88.A O no hydrogen 2.936 N/A HIS 92.A ND1 ILE 146.A O no hydrogen 2.827 N/A GLU 93.A N THR 89.A O no hydrogen 3.000 N/A LEU 94.A N ILE 90.A O no hydrogen 3.215 N/A MET 95.A N ILE 91.A O no hydrogen 2.874 N/A HIS 96.A N HIS 92.A O no hydrogen 3.170 N/A HIS 96.A ND1 PHE 100.A O no hydrogen 2.771 N/A HIS 96.A NE2 HIS 102.A NE2 no hydrogen 2.942 N/A ALA 97.A N GLU 93.A O no hydrogen 3.175 N/A ILE 98.A N LEU 94.A O no hydrogen 2.867 N/A GLY 99.A N MET 95.A O no hydrogen 3.192 N/A PHE 100.A N MET 95.A O no hydrogen 3.151 N/A PHE 100.A N HIS 96.A O no hydrogen 3.356 N/A TYR 101.A N ALA 1.A O no hydrogen 2.946 N/A HIS 102.A NE2 TYR 149.A OH no hydrogen 2.870 N/A GLU 103.A N MET 147.A O no hydrogen 2.967 N/A THR 105.A OG1 HIS 102.A O no hydrogen 3.148 N/A THR 105.A OG1 ASP 131.A OD2 no hydrogen 2.661 N/A ARG 106.A N GLU 103.A O no hydrogen 3.070 N/A ARG 106.A NE ASP 108.A OD1 no hydrogen 2.904 N/A ARG 106.A NH1 GLU 139.A O no hydrogen 2.842 N/A ARG 106.A NH2 ASP 108.A OD1 no hydrogen 3.561 N/A ARG 106.A NH2 ASP 108.A OD2 no hydrogen 2.940 N/A ARG 109.A N ARG 106.A O no hydrogen 3.075 N/A ARG 109.A NE ASP 110.A OD1 no hydrogen 2.801 N/A ARG 109.A NH1 HIS 104.A O no hydrogen 2.977 N/A ARG 109.A NH1 PHE 128.A O no hydrogen 2.913 N/A ARG 109.A NH2 TYR 117.A OH no hydrogen 3.341 N/A ARG 109.A NH2 PHE 128.A O no hydrogen 3.145 N/A ASN 111.A N ASP 108.A O no hydrogen 2.895 N/A TYR 112.A N ARG 109.A O no hydrogen 2.834 N/A VAL 113.A N ARG 109.A O no hydrogen 2.875 N/A THR 114.A N VAL 165.A O no hydrogen 2.821 N/A ASN 116.A N THR 163.A O no hydrogen 2.834 N/A ASN 116.A ND2 GLU 162.A O no hydrogen 3.084 N/A GLN 118.A N GLN 118.A OE1 no hydrogen 2.693 N/A ASN 119.A N ASN 116.A O no hydrogen 2.880 N/A ASN 119.A ND2 GLU 162.A O no hydrogen 2.816 N/A VAL 120.A N TYR 117.A O no hydrogen 3.050 N/A ASP 121.A N PHE 154.A O no hydrogen 2.893 N/A SER 123.A N ASP 121.A OD1 no hydrogen 3.209 N/A SER 123.A OG ASP 121.A OD1 no hydrogen 2.789 N/A MET 124.A N ASP 121.A O no hydrogen 2.909 N/A ASN 127.A N MET 124.A O no hydrogen 3.073 N/A ASN 127.A ND2 MET 124.A O no hydrogen 2.957 N/A PHE 128.A N THR 125.A O no hydrogen 3.003 N/A ASP 129.A N SER 126.A O no hydrogen 2.967 N/A ASP 131.A N THR 105.A O no hydrogen 2.851 N/A THR 132.A OG1 ILE 130.A O no hydrogen 3.401 N/A SER 134.A OG ASP 131.A O no hydrogen 2.716 N/A ARG 135.A N ALA 2.A O no hydrogen 2.940 N/A ARG 135.A NE ILE 3.A O no hydrogen 2.794 N/A ARG 135.A NH1 ASP 6.A OD1 no hydrogen 3.114 N/A ARG 135.A NH2 ILE 3.A O no hydrogen 3.134 N/A ARG 135.A NH2 ASP 6.A OD1 no hydrogen 3.036 N/A TYR 141.A OH HIS 148.A NE2 no hydrogen 2.678 N/A GLN 142.A N GLU 103.A OE2 no hydrogen 2.812 N/A TYR 143.A OH TYR 112.A O no hydrogen 2.662 N/A SER 145.A N GLN 142.A O no hydrogen 3.216 N/A SER 145.A OG ASP 186.A OD1 no hydrogen 2.751 N/A ILE 146.A N ASP 186.A OD2 no hydrogen 2.951 N/A MET 147.A N SER 145.A OG no hydrogen 2.991 N/A HIS 148.A N SER 145.A O no hydrogen 3.046 N/A HIS 148.A ND1 TYR 149.A O no hydrogen 2.788 N/A HIS 148.A NE2 TYR 141.A OH no hydrogen 2.678 N/A TYR 149.A N HIS 104.A ND1 no hydrogen 3.316 N/A TYR 149.A OH HIS 92.A NE2 no hydrogen 3.068 N/A GLY 150.A N ASP 175.A OD1 no hydrogen 2.850 N/A LYS 151.A N LEU 173.A O no hydrogen 3.328 N/A LYS 151.A NZ ASP 172.A OD1 no hydrogen 2.811 N/A SER 153.A N GLY 150.A O no hydrogen 3.226 N/A SER 153.A OG GLY 150.A O no hydrogen 2.867 N/A SER 155.A N TYR 152.A O no hydrogen 2.890 N/A SER 155.A OG LEU 161.A O no hydrogen 2.598 N/A ILE 156.A N ASN 119.A O no hydrogen 2.888 N/A GLN 157.A N SER 155.A OG no hydrogen 2.977 N/A VAL 160.A N GLN 157.A O no hydrogen 3.004 N/A LEU 161.A N GLN 157.A O no hydrogen 2.998 N/A THR 163.A N LYS 151.A O no hydrogen 2.706 N/A THR 163.A OG1 LYS 151.A O no hydrogen 3.242 N/A THR 163.A OG1 SER 153.A O no hydrogen 2.747 N/A ILE 164.A N LYS 151.A O no hydrogen 3.215 N/A VAL 165.A N THR 114.A O no hydrogen 2.960 N/A LEU 167.A N TYR 112.A O no hydrogen 2.842 N/A ASP 172.A N TYR 144.A OH no hydrogen 2.971 N/A ASP 178.A N ASP 175.A O no hydrogen 2.961 N/A LYS 179.A N PRO 176.A O no hydrogen 2.924 N/A LYS 179.A NZ THR 174.A OG1 no hydrogen 2.869 N/A HIS 181.A ND1 GLU 36.A OE1 no hydrogen 2.962 N/A MET 182.A N GLU 36.A OE2 no hydrogen 2.946 N/A LEU 183.A N ASP 186.A OD2 no hydrogen 3.016 N/A GLN 184.A NE2 ASN 188.A OD1 no hydrogen 2.904 N/A ASP 186.A N LEU 183.A O no hydrogen 2.871 N/A ALA 187.A N LEU 183.A O no hydrogen 3.157 N/A ASN 188.A N GLN 184.A O no hydrogen 2.872 N/A ASN 188.A ND2 GLU 139.A OE2 no hydrogen 3.017 N/A GLN 189.A N THR 185.A O no hydrogen 3.177 N/A GLN 189.A NE2 THR 185.A O no hydrogen 3.446 N/A ILE 190.A N ASP 186.A O no hydrogen 3.315 N/A ASN 191.A N ALA 187.A O no hydrogen 2.963 N/A ASN 191.A ND2 LYS 40.A O no hydrogen 3.157 N/A ASN 192.A N ASN 188.A O no hydrogen 2.851 N/A ASN 192.A ND2 VAL 137.A O no hydrogen 2.826 N/A LEU 193.A N GLN 189.A O no hydrogen 2.824 N/A TYR 194.A N ILE 190.A O no hydrogen 2.859 N/A TYR 194.A N ASN 191.A O no hydrogen 3.187 N/A TYR 194.A OH ILE 98.A O no hydrogen 2.588 N/A THR 195.A OG1 ASN 191.A O no hydrogen 3.188 N/A THR 195.A OG1 ASN 192.A O no hydrogen 2.781 N/A CYS 198.A N TYR 194.A O no hydrogen 2.735 N/A CYS 198.A SG GLY 12.A O no hydrogen 3.945 N/A CYS 198.A SG TYR 194.A O no hydrogen 4.019 N/A