Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3khi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 7.A N PRO 3.A O no hydrogen 2.943 N/A LEU 8.A N TRP 4.A O no hydrogen 3.053 N/A LEU 8.A N GLU 5.A O no hydrogen 3.243 N/A ALA 9.A N GLN 6.A O no hydrogen 2.947 N/A ILE 10.A N LEU 8.A O no hydrogen 2.874 N/A VAL 12.A N PHE 106.A O no hydrogen 2.895 N/A LEU 13.A N ILE 10.A O no hydrogen 3.027 N/A ALA 14.A N PRO 11.A O no hydrogen 3.100 N/A LEU 16.A N LEU 13.A O no hydrogen 3.265 N/A SER 17.A N GLU 20.A OE1 no hydrogen 2.860 N/A GLU 20.A N SER 17.A OG no hydrogen 3.025 N/A GLN 21.A N SER 17.A O no hydrogen 2.835 N/A GLN 21.A NE2 LEU 16.A O no hydrogen 3.110 N/A HIS 22.A N SER 18.A O no hydrogen 3.024 N/A HIS 22.A ND1 SER 18.A O no hydrogen 3.019 N/A LYS 23.A N THR 19.A O no hydrogen 2.947 N/A LYS 23.A NZ LEU 60.A O no hydrogen 3.285 N/A LYS 23.A NZ GLU 61.A OE1 no hydrogen 2.826 N/A LYS 23.A NZ GLU 61.A OE2 no hydrogen 3.215 N/A LEU 24.A N GLU 20.A O no hydrogen 2.760 N/A THR 25.A N GLN 21.A O no hydrogen 3.027 N/A THR 25.A OG1 GLN 21.A O no hydrogen 2.681 N/A GLN 26.A N HIS 22.A O no hydrogen 3.134 N/A ALA 28.A N THR 25.A O no hydrogen 2.956 N/A ARG 29.A N GLN 26.A O no hydrogen 3.022 N/A LEU 31.A N ALA 27.A O no hydrogen 3.010 N/A GLN 32.A N ALA 28.A O no hydrogen 3.133 N/A GLN 33.A N ARG 29.A O no hydrogen 2.993 N/A GLN 33.A N PHE 30.A O no hydrogen 3.051 N/A LYS 34.A N PHE 30.A O no hydrogen 2.723 N/A LYS 34.A NZ LEU 67.A O no hydrogen 2.920 N/A LYS 34.A NZ PHE 70.A O no hydrogen 2.740 N/A ARG 35.A N HIS 71.A O no hydrogen 3.345 N/A ARG 35.A NH2 GLU 72.A OE2 no hydrogen 3.439 N/A VAL 37.A N VAL 73.A O no hydrogen 2.714 N/A LEU 39.A N ILE 75.A O no hydrogen 2.834 N/A LEU 42.A N LEU 39.A O no hydrogen 3.019 N/A THR 45.A N HIS 48.A ND1 no hydrogen 3.105 N/A HIS 48.A N THR 45.A OG1 no hydrogen 3.120 N/A GLN 49.A N THR 45.A O no hydrogen 2.880 N/A ALA 50.A N PRO 46.A O no hydrogen 2.870 N/A ARG 51.A N LEU 47.A O no hydrogen 3.000 N/A ARG 51.A NE ALA 7.A O no hydrogen 2.962 N/A ARG 51.A NH2 GLN 6.A O no hydrogen 2.790 N/A ILE 52.A N HIS 48.A O no hydrogen 2.874 N/A ALA 53.A N GLN 49.A O no hydrogen 3.025 N/A PHE 55.A N ILE 52.A O no hydrogen 3.076 N/A CYS 56.A N ALA 53.A O no hydrogen 2.979 N/A CYS 56.A SG ALA 53.A O no hydrogen 3.397 N/A VAL 59.A N CYS 56.A O no hydrogen 2.990 N/A LEU 60.A N LEU 57.A O no hydrogen 3.172 N/A LEU 62.A N VAL 59.A O no hydrogen 3.057 N/A GLY 63.A N VAL 59.A O no hydrogen 2.831 N/A GLU 65.A N GLU 65.A OE1.A no hydrogen 2.560 N/A TRP 66.A N GLY 63.A O no hydrogen 3.068 N/A LEU 67.A N ILE 64.A O no hydrogen 2.993 N/A ASP 68.A N GLU 65.A O no hydrogen 3.070 N/A VAL 73.A N ARG 35.A O no hydrogen 2.892 N/A LEU 74.A N VAL 95.A O no hydrogen 2.837 N/A ILE 75.A N VAL 37.A O no hydrogen 2.806 N/A TYR 76.A N LEU 97.A O no hydrogen 2.975 N/A ASN 85.A N GLY 81.A O no hydrogen 3.222 N/A ASN 85.A ND2 ASP 175.A OD2 no hydrogen 2.764 N/A GLN 86.A N LEU 82.A O no hydrogen 3.369 N/A ARG 87.A N VAL 83.A O no hydrogen 2.864 N/A VAL 88.A N HIS 84.A O no hydrogen 2.860 N/A VAL 89.A N ASN 85.A O no hydrogen 3.091 N/A GLN 90.A N ARG 87.A O no hydrogen 3.248 N/A GLN 90.A NE2 GLN 86.A O no hydrogen 2.708 N/A GLN 91.A NE2 GLY 127.A O no hydrogen 3.642 N/A VAL 95.A N GLU 72.A O no hydrogen 3.269 N/A LEU 97.A N LEU 74.A O no hydrogen 2.844 N/A ASN 98.A ND2 ASP 101.A OD2 no hydrogen 2.849 N/A TRP 99.A N TYR 76.A O no hydrogen 2.818 N/A LEU 100.A N PRO 77.A O no hydrogen 3.348 N/A ASP 101.A N ASN 98.A OD1 no hydrogen 2.934 N/A ILE 102.A N ASN 98.A O no hydrogen 2.967 N/A GLN 103.A N TRP 99.A O no hydrogen 2.940 N/A ASP 104.A N LEU 100.A O no hydrogen 3.312 N/A SER 105.A N ASP 101.A O no hydrogen 2.947 N/A SER 105.A OG ASP 101.A O no hydrogen 2.861 N/A PHE 106.A N GLN 103.A O no hydrogen 3.207 N/A ASP 107.A N ASP 104.A O no hydrogen 3.228 N/A SER 109.A OG ASP 107.A OD1.B no hydrogen 2.539 N/A GLY 110.A N SER 189.A OG.A no hydrogen 2.879 N/A PHE 111.A N SER 109.A OG no hydrogen 3.363 N/A ASN 112.A N GLU 185.A OE1 no hydrogen 2.823 N/A LEU 113.A N SER 105.A OG no hydrogen 2.857 N/A VAL 115.A N ASN 112.A OD1 no hydrogen 2.945 N/A HIS 116.A N ASN 112.A O no hydrogen 2.961 N/A HIS 116.A ND1 GLU 185.A OE2 no hydrogen 2.777 N/A HIS 116.A NE2 HIS 84.A NE2 no hydrogen 3.211 N/A GLU 117.A N LEU 113.A O no hydrogen 2.960 N/A VAL 118.A N VAL 114.A O no hydrogen 2.891 N/A ALA 119.A N VAL 115.A O no hydrogen 2.854 N/A HIS 120.A N HIS 116.A O no hydrogen 3.219 N/A HIS 120.A NE2 HIS 116.A NE2 no hydrogen 3.061 N/A HIS 120.A NE2 GLU 178.A OE1 no hydrogen 3.111 N/A LYS 121.A N GLU 117.A O no hydrogen 3.122 N/A LYS 121.A NZ GLY 69.A O no hydrogen 3.117 N/A LYS 121.A NZ GLN 91.A O no hydrogen 2.563 N/A LYS 121.A NZ GLY 93.A O no hydrogen 2.917 N/A LEU 122.A N VAL 118.A O no hydrogen 2.828 N/A ASP 123.A N ALA 119.A O no hydrogen 2.898 N/A THR 124.A N HIS 120.A O no hydrogen 3.099 N/A THR 124.A OG1 HIS 120.A O no hydrogen 3.278 N/A THR 124.A OG1 LYS 121.A O no hydrogen 3.516 N/A ARG 125.A N LEU 122.A O no hydrogen 3.398 N/A ARG 125.A NE ASP 68.A OD1.B no hydrogen 3.344 N/A ARG 125.A NH2 ASP 68.A OD2.B no hydrogen 3.171 N/A GLY 127.A N THR 124.A O no hydrogen 2.969 N/A SER 131.A N ASP 123.A OD1 no hydrogen 2.886 N/A GLY 132.A N ASP 123.A OD2 no hydrogen 2.747 N/A VAL 133.A N SER 131.A OG no hydrogen 3.324 N/A GLU 140.A N PRO 137.A O no hydrogen 2.961 N/A VAL 141.A N LEU 138.A O no hydrogen 3.066 N/A TRP 144.A N GLU 140.A O no hydrogen 2.826 N/A TRP 144.A NE1 GLY 132.A O no hydrogen 2.860 N/A GLU 145.A N VAL 141.A O no hydrogen 2.829 N/A HIS 146.A N ALA 142.A O no hydrogen 2.914 N/A ASP 147.A N GLY 143.A O no hydrogen 2.978 N/A LEU 148.A N TRP 144.A O no hydrogen 2.858 N/A HIS 149.A N GLU 145.A O no hydrogen 2.915 N/A ALA 150.A N HIS 146.A O no hydrogen 3.013 N/A ALA 151.A N ASP 147.A O no hydrogen 3.049 N/A ASN 153.A N ALA 150.A O no hydrogen 2.898 N/A ILE 154.A N ALA 151.A O no hydrogen 2.843 N/A GLN 155.A NE2 ASP 159.A OD1 no hydrogen 2.860 N/A ASP 156.A N ASN 152.A O no hydrogen 2.810 N/A GLU 157.A N ASN 153.A O no hydrogen 3.115 N/A ILE 158.A N ILE 154.A O no hydrogen 2.909 N/A ASP 159.A N GLN 155.A O no hydrogen 2.857 N/A LEU 160.A N ASP 156.A O no hydrogen 3.038 N/A LEU 160.A N GLU 157.A O no hydrogen 3.095 N/A VAL 161.A N GLU 157.A O no hydrogen 2.842 N/A GLY 162.A N ILE 158.A O no hydrogen 2.946 N/A ALA 166.A N GLU 163.A O no hydrogen 3.257 N/A SER 167.A N GLU 157.A OE1 no hydrogen 3.057 N/A SER 167.A N GLU 157.A OE2 no hydrogen 2.838 N/A SER 167.A OG GLU 157.A OE1 no hydrogen 2.719 N/A SER 167.A OG GLU 157.A OE2 no hydrogen 3.327 N/A ASP 169.A N TYR 186.A OH no hydrogen 2.825 N/A TYR 171.A N ASP 169.A OD1 no hydrogen 2.761 N/A TYR 171.A OH GLY 81.A O no hydrogen 2.815 N/A ALA 172.A N ASP 169.A O no hydrogen 3.080 N/A ALA 173.A N ALA 170.A O no hydrogen 3.046 N/A THR 174.A N TYR 171.A O no hydrogen 2.872 N/A THR 174.A OG1 TYR 171.A O no hydrogen 2.394 N/A GLU 178.A N ASP 175.A OD1 no hydrogen 2.652 N/A CYS 179.A N ASP 175.A O no hydrogen 2.828 N/A PHE 180.A N PRO 176.A O no hydrogen 2.969 N/A ALA 181.A N ALA 177.A O no hydrogen 3.191 N/A VAL 182.A N GLU 178.A O no hydrogen 2.825 N/A LEU 183.A N CYS 179.A O no hydrogen 2.913 N/A SER 184.A N PHE 180.A O no hydrogen 2.876 N/A SER 184.A OG PHE 180.A O no hydrogen 2.772 N/A SER 184.A OG TYR 209.A OH no hydrogen 2.733 N/A GLU 185.A N ALA 181.A O no hydrogen 3.067 N/A TYR 186.A N VAL 182.A O no hydrogen 3.118 N/A PHE 187.A N LEU 183.A O no hydrogen 2.794 N/A PHE 188.A N SER 184.A O no hydrogen 3.299 N/A SER 189.A N GLU 185.A O no hydrogen 2.892 N/A SER 189.A OG.C GLU 185.A O no hydrogen 2.511 N/A ALA 190.A N TYR 186.A O no hydrogen 2.752 N/A GLU 192.A N GLU 192.A OE1 no hydrogen 2.704 N/A LEU 193.A N ALA 190.A O no hydrogen 3.018 N/A PHE 194.A N PRO 191.A O no hydrogen 2.968 N/A ALA 195.A N PRO 191.A O no hydrogen 2.919 N/A ARG 197.A N PHE 194.A O no hydrogen 2.903 N/A ARG 197.A NH1 ASN 153.A OD1 no hydrogen 2.482 N/A PHE 198.A N PHE 194.A O no hydrogen 2.948 N/A TRP 202.A N PHE 198.A O no hydrogen 2.766 N/A GLN 203.A N PRO 199.A O no hydrogen 3.065 N/A ARG 204.A N ALA 200.A O no hydrogen 3.102 N/A ARG 204.A NE ASP 147.A OD2 no hydrogen 2.913 N/A PHE 205.A N LEU 201.A O no hydrogen 2.819 N/A CYS 206.A N TRP 202.A O no hydrogen 2.891 N/A CYS 206.A SG TRP 202.A O no hydrogen 3.536 N/A CYS 206.A SG GLN 211.A O no hydrogen 3.631 N/A HIS 207.A N GLN 203.A O no hydrogen 3.052 N/A PHE 208.A N ARG 204.A O no hydrogen 2.872 N/A TYR 209.A N PHE 205.A O no hydrogen 2.737 N/A TYR 209.A OH SER 184.A OG no hydrogen 2.733 N/A GLN 211.A NE2 LEU 57.A O no hydrogen 2.908 N/A LEU 214.A N ASP 212.A OD1 no hydrogen 3.125 N/A ALA 215.A N ASP 212.A OD1 no hydrogen 2.958 N/A ARG 216.A N ASP 212.A O no hydrogen 3.103 N/A ARG 216.A NE GLU 20.A OE1 no hydrogen 3.033 N/A ARG 216.A NE GLU 20.A OE2 no hydrogen 3.339 N/A ARG 216.A NH1 GLN 211.A OE1 no hydrogen 3.072 N/A ARG 216.A NH2 GLU 20.A OE2 no hydrogen 2.968 N/A ARG 216.A NH2 GLN 211.A OE1 no hydrogen 2.806 N/A ARG 217.A N PRO 213.A O no hydrogen 3.283 N/A ARG 218.A N ALA 215.A O no hydrogen 3.031 N/A