Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kk8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLN 75.A O no hydrogen 3.409 N/A THR 2.A N SER 1.A OG no hydrogen 2.752 N/A THR 2.A OG1 ASP 6.A OD2 no hydrogen 2.751 N/A PHE 4.A N GLU 76.A OE2 no hydrogen 3.249 N/A ASP 6.A N THR 2.A O no hydrogen 3.337 N/A ASN 7.A N PHE 4.A O no hydrogen 2.982 N/A ASN 7.A ND2 LYS 3.A O no hydrogen 2.861 N/A TYR 8.A N PHE 4.A O no hydrogen 2.910 N/A ASP 9.A N VAL 26.A O no hydrogen 2.842 N/A LYS 11.A N ARG 24.A O no hydrogen 2.734 N/A GLU 12.A N GLU 12.A OE1 no hydrogen 2.780 N/A LEU 14.A N VAL 22.A O no hydrogen 2.687 N/A GLY 15.A N VAL 22.A O no hydrogen 3.306 N/A GLY 17.A N SER 20.A O no hydrogen 2.868 N/A VAL 21.A N ILE 38.A O no hydrogen 3.098 N/A VAL 22.A N GLY 15.A O no hydrogen 2.865 N/A ARG 23.A N ALA 36.A O no hydrogen 2.924 N/A ARG 23.A NE LYS 11.A O no hydrogen 2.948 N/A ARG 23.A NH2 LYS 11.A O no hydrogen 2.841 N/A ARG 24.A N GLU 12.A O no hydrogen 2.984 N/A ARG 24.A NE GLU 12.A OE2 no hydrogen 2.768 N/A ARG 24.A NH1 GLU 33.A OE1 no hydrogen 2.864 N/A ARG 24.A NH2 GLU 12.A OE1 no hydrogen 2.765 N/A ARG 24.A NH2 GLU 12.A OE2 no hydrogen 3.434 N/A CYS 25.A N PHE 34.A O no hydrogen 2.919 N/A CYS 25.A SG PHE 34.A O no hydrogen 3.923 N/A VAL 26.A N ASP 9.A O no hydrogen 2.903 N/A HIS 27.A N LEU 32.A O no hydrogen 2.767 N/A HIS 27.A ND1 THR 30.A OG1 no hydrogen 2.808 N/A LYS 28.A N ASN 7.A O no hydrogen 2.875 N/A LYS 28.A NZ SER 5.A O no hydrogen 3.363 N/A THR 30.A N HIS 27.A ND1 no hydrogen 3.280 N/A THR 30.A OG1 HIS 27.A ND1 no hydrogen 2.808 N/A GLY 31.A N HIS 27.A O no hydrogen 2.775 N/A LEU 32.A N THR 30.A OG1 no hydrogen 3.292 N/A PHE 34.A N CYS 25.A O no hydrogen 2.888 N/A ALA 35.A N PHE 84.A O no hydrogen 2.949 N/A ALA 36.A N ARG 23.A O no hydrogen 2.801 N/A LYS 37.A N LEU 82.A O no hydrogen 2.825 N/A ILE 38.A N VAL 21.A O no hydrogen 2.766 N/A ILE 39.A N HIS 80.A O no hydrogen 2.843 N/A ASN 40.A N PHE 19.A O no hydrogen 2.933 N/A THR 41.A N SER 78.A O no hydrogen 2.917 N/A LYS 42.A N ASN 40.A OD1 no hydrogen 3.240 N/A ASP 48.A N SER 45.A OG no hydrogen 3.113 N/A PHE 49.A N SER 45.A O no hydrogen 2.828 N/A GLN 50.A N ALA 46.A O no hydrogen 2.988 N/A LYS 51.A N ARG 47.A O no hydrogen 2.886 N/A LEU 52.A N ASP 48.A O no hydrogen 2.965 N/A GLU 53.A N PHE 49.A O no hydrogen 2.914 N/A ARG 54.A N GLN 50.A O no hydrogen 3.074 N/A ARG 54.A NE ALA 155.A O no hydrogen 3.302 N/A GLU 55.A N LYS 51.A O no hydrogen 2.908 N/A ALA 56.A N LEU 52.A O no hydrogen 2.947 N/A ARG 57.A N GLU 53.A O no hydrogen 3.018 N/A ARG 57.A NH1 GLU 157.A OE1 no hydrogen 2.715 N/A ARG 57.A NH1 GLU 157.A OE2 no hydrogen 3.156 N/A ARG 57.A NH2 GLU 157.A OE2 no hydrogen 3.173 N/A ILE 58.A N ARG 54.A O no hydrogen 2.943 N/A CYS 59.A N GLU 55.A O no hydrogen 2.856 N/A CYS 59.A SG VAL 68.A O no hydrogen 4.031 N/A ARG 60.A N ALA 56.A O no hydrogen 2.919 N/A ARG 60.A NH2 ARG 60.A O no hydrogen 3.497 N/A LYS 61.A N ILE 58.A O no hydrogen 3.213 N/A LYS 61.A NZ GLU 157.A OE1 no hydrogen 2.899 N/A LEU 62.A N CYS 59.A O no hydrogen 3.238 N/A GLN 63.A N TYR 120.A OH no hydrogen 2.884 N/A GLN 63.A NE2 ARG 60.A O no hydrogen 3.270 N/A GLN 63.A NE2 LEU 70.A O no hydrogen 3.447 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 2.946 N/A ASN 66.A ND2 GLN 113.A OE1 no hydrogen 2.992 N/A ASN 66.A ND2 VAL 147.A O no hydrogen 2.805 N/A ILE 67.A N HIS 64.A O no hydrogen 3.096 N/A VAL 68.A N LEU 149.A O no hydrogen 2.911 N/A ARG 69.A N ASP 85.A OD1 no hydrogen 2.897 N/A ARG 69.A NE ASP 85.A OD1 no hydrogen 3.104 N/A ARG 69.A NE ASP 85.A OD2 no hydrogen 3.343 N/A ARG 69.A NH2 ASP 85.A OD2 no hydrogen 2.972 N/A HIS 71.A N VAL 83.A O no hydrogen 2.730 N/A HIS 71.A NE2 ASP 85.A OD2 no hydrogen 2.801 N/A SER 73.A N ASP 72.A OD1 no hydrogen 2.796 N/A SER 73.A OG HIS 80.A NE2 no hydrogen 2.718 N/A ILE 74.A N TYR 81.A O no hydrogen 2.818 N/A GLN 75.A NE2 GLU 76.A O no hydrogen 2.890 N/A GLU 76.A N PHE 79.A O no hydrogen 2.860 N/A HIS 80.A N ILE 39.A O no hydrogen 2.854 N/A HIS 80.A ND1 GLN 75.A OE1 no hydrogen 2.917 N/A HIS 80.A NE2 SER 73.A OG no hydrogen 2.718 N/A TYR 81.A N ILE 74.A O no hydrogen 2.792 N/A LEU 82.A N LYS 37.A O no hydrogen 2.924 N/A VAL 83.A N ASP 72.A O no hydrogen 2.904 N/A PHE 84.A N ALA 35.A O no hydrogen 2.880 N/A ASP 85.A N ARG 69.A O no hydrogen 2.850 N/A THR 88.A N ALA 139.A O no hydrogen 2.956 N/A GLY 89.A N LEU 138.A O no hydrogen 2.913 N/A LEU 92.A N LEU 136.A O no hydrogen 2.743 N/A PHE 93.A N PRO 133.A O no hydrogen 3.043 N/A GLU 94.A N GLU 91.A O no hydrogen 3.014 N/A ASP 95.A N GLU 91.A O no hydrogen 3.277 N/A ILE 96.A N LEU 92.A O no hydrogen 2.936 N/A VAL 97.A N PHE 93.A O no hydrogen 3.099 N/A ALA 98.A N GLU 94.A O no hydrogen 2.959 N/A ARG 99.A N ASP 95.A O no hydrogen 2.934 N/A ARG 99.A NH1 ASP 95.A OD2 no hydrogen 2.930 N/A GLU 100.A N VAL 97.A O no hydrogen 3.362 N/A TYR 102.A N LEU 200.A O no hydrogen 2.761 N/A TYR 102.A OH ASP 95.A OD2 no hydrogen 2.548 N/A ASP 106.A N SER 103.A OG no hydrogen 3.002 N/A ALA 107.A N SER 103.A O no hydrogen 2.827 N/A SER 108.A N GLU 104.A O no hydrogen 2.890 N/A SER 108.A OG TRP 264.A O no hydrogen 2.896 N/A HIS 109.A N ALA 105.A O no hydrogen 3.129 N/A CYS 110.A N ASP 106.A O no hydrogen 2.856 N/A ILE 111.A N ALA 107.A O no hydrogen 2.836 N/A GLN 112.A N SER 108.A O no hydrogen 2.874 N/A GLN 113.A N HIS 109.A O no hydrogen 3.267 N/A GLN 113.A NE2 HIS 109.A O no hydrogen 3.670 N/A ILE 114.A N CYS 110.A O no hydrogen 3.069 N/A LEU 115.A N ILE 111.A O no hydrogen 2.785 N/A GLU 116.A N GLN 112.A O no hydrogen 2.881 N/A SER 117.A N GLN 113.A O no hydrogen 3.027 N/A SER 117.A OG ILE 114.A O no hydrogen 2.752 N/A ILE 118.A N ILE 114.A O no hydrogen 3.028 N/A ALA 119.A N LEU 115.A O no hydrogen 2.757 N/A TYR 120.A N GLU 116.A O no hydrogen 3.000 N/A CYS 121.A N SER 117.A O no hydrogen 2.983 N/A CYS 121.A SG SER 117.A O no hydrogen 3.384 N/A HIS 122.A N ILE 118.A O no hydrogen 2.825 N/A HIS 122.A NE2 ASP 189.A OD1 no hydrogen 2.809 N/A SER 123.A N ALA 119.A O no hydrogen 2.929 N/A SER 123.A OG ALA 119.A O no hydrogen 3.490 N/A SER 123.A OG TYR 120.A O no hydrogen 2.844 N/A ASN 124.A N TYR 120.A O no hydrogen 3.195 N/A ASN 124.A N CYS 121.A O no hydrogen 2.894 N/A ASN 124.A ND2 TYR 120.A O no hydrogen 2.889 N/A GLY 125.A N HIS 122.A O no hydrogen 3.031 N/A ILE 126.A N CYS 121.A O no hydrogen 2.919 N/A VAL 127.A N ILE 156.A O no hydrogen 2.934 N/A HIS 128.A N ASP 189.A OD1 no hydrogen 2.897 N/A HIS 128.A NE2 ALA 150.A O no hydrogen 2.937 N/A ARG 129.A N ASP 189.A OD2 no hydrogen 2.883 N/A ARG 129.A NE LEU 154.A O no hydrogen 2.743 N/A ARG 129.A NH1 HIS 165.A O no hydrogen 3.071 N/A ARG 129.A NH1 TYR 184.A OH no hydrogen 2.854 N/A ARG 129.A NH2 LEU 154.A O no hydrogen 3.017 N/A ASN 130.A N HIS 128.A ND1 no hydrogen 2.982 N/A LYS 132.A NZ THR 170.A OG1 no hydrogen 2.825 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.729 N/A ASN 135.A N LYS 132.A O no hydrogen 2.936 N/A ASN 135.A ND2 ASN 130.A O no hydrogen 2.922 N/A LEU 136.A N PRO 133.A O no hydrogen 3.368 N/A LEU 137.A N LYS 148.A O no hydrogen 2.810 N/A LEU 138.A N GLY 90.A O no hydrogen 2.827 N/A ALA 139.A N ALA 146.A O no hydrogen 2.865 N/A LYS 141.A NZ THR 88.A O no hydrogen 3.101 N/A ALA 142.A N SER 140.A OG no hydrogen 3.202 N/A ALA 145.A N ALA 142.A O no hydrogen 3.126 N/A VAL 147.A N GLN 113.A OE1 no hydrogen 2.889 N/A LYS 148.A N LEU 137.A O no hydrogen 2.723 N/A LYS 148.A NZ PRO 65.A O no hydrogen 3.494 N/A LYS 148.A NZ ASP 85.A OD1 no hydrogen 2.858 N/A LEU 149.A N ASN 66.A O no hydrogen 2.839 N/A ALA 150.A N ASN 135.A O no hydrogen 2.973 N/A GLY 153.A N ASP 151.A OD1 no hydrogen 3.136 N/A ALA 155.A N PHE 152.A O no hydrogen 3.018 N/A ILE 156.A N VAL 127.A O no hydrogen 2.891 N/A VAL 158.A N GLY 125.A O no hydrogen 2.907 N/A SER 161.A N ASN 159.A OD1 no hydrogen 3.060 N/A SER 161.A OG ASN 159.A OD1 no hydrogen 2.765 N/A ALA 163.A N TYR 184.A O no hydrogen 3.386 N/A THR 170.A OG1 ASN 130.A OD1 no hydrogen 2.684 N/A TYR 173.A N THR 170.A O no hydrogen 2.861 N/A LEU 174.A N PRO 171.A O no hydrogen 3.278 N/A GLU 177.A N GLU 177.A OE2 no hydrogen 2.742 N/A VAL 178.A N SER 175.A OG no hydrogen 3.423 N/A LEU 179.A N SER 175.A O no hydrogen 3.063 N/A LYS 180.A N PRO 176.A O no hydrogen 2.841 N/A LYS 181.A N VAL 178.A O no hydrogen 2.975 N/A ASP 182.A N GLU 177.A O no hydrogen 2.871 N/A TYR 184.A N ALA 163.A O no hydrogen 2.896 N/A TYR 184.A OH GLY 166.A O no hydrogen 2.577 N/A LYS 186.A NZ HIS 122.A O no hydrogen 2.954 N/A VAL 188.A N SER 185.A O no hydrogen 3.099 N/A ASP 189.A N LYS 186.A O no hydrogen 3.058 N/A ILE 190.A N PRO 187.A O no hydrogen 2.937 N/A TRP 191.A N PRO 187.A O no hydrogen 3.159 N/A ALA 192.A N VAL 188.A O no hydrogen 3.304 N/A CYS 193.A N ASP 189.A O no hydrogen 2.975 N/A CYS 193.A SG ASP 189.A O no hydrogen 3.407 N/A GLY 194.A N ILE 190.A O no hydrogen 2.935 N/A VAL 195.A N TRP 191.A O no hydrogen 3.103 N/A ILE 196.A N ALA 192.A O no hydrogen 2.885 N/A LEU 197.A N CYS 193.A O no hydrogen 2.866 N/A TYR 198.A N GLY 194.A O no hydrogen 3.031 N/A TYR 198.A OH ASP 225.A O no hydrogen 2.747 N/A ILE 199.A N VAL 195.A O no hydrogen 3.008 N/A LEU 200.A N ILE 196.A O no hydrogen 2.789 N/A LEU 201.A N LEU 197.A O no hydrogen 3.202 N/A LEU 201.A N TYR 198.A O no hydrogen 3.192 N/A VAL 202.A N TYR 198.A O no hydrogen 3.337 N/A GLY 203.A N ILE 199.A O no hydrogen 2.764 N/A TYR 204.A OH GLU 230.A OE2 no hydrogen 2.598 N/A ASP 211.A N ASP 209.A OD1 no hydrogen 2.872 N/A ARG 214.A N ASP 211.A OD1 no hydrogen 3.108 N/A ARG 214.A NE ASP 209.A OD2 no hydrogen 2.876 N/A ARG 214.A NH2 ASP 209.A OD2 no hydrogen 3.475 N/A LEU 215.A N ASP 211.A O no hydrogen 2.957 N/A TYR 216.A N GLN 212.A O no hydrogen 2.884 N/A ALA 217.A N HIS 213.A O no hydrogen 3.049 N/A GLN 218.A N ARG 214.A O no hydrogen 2.912 N/A ILE 219.A N LEU 215.A O no hydrogen 2.987 N/A LYS 220.A N TYR 216.A O no hydrogen 2.953 N/A ALA 221.A N ALA 217.A O no hydrogen 3.098 N/A GLY 222.A N ILE 219.A O no hydrogen 2.914 N/A ALA 223.A N GLN 218.A O no hydrogen 2.881 N/A TYR 224.A OH ASP 243.A OD1 no hydrogen 2.613 N/A TYR 226.A OH ASP 243.A OD1 no hydrogen 2.746 N/A SER 228.A OG ASP 232.A OD1 no hydrogen 2.619 N/A SER 228.A OG ASP 232.A OD2 no hydrogen 3.491 N/A GLU 230.A N GLU 230.A OE1 no hydrogen 2.870 N/A TRP 231.A N PRO 227.A O no hydrogen 3.229 N/A ASP 232.A N PRO 229.A O no hydrogen 2.800 N/A VAL 234.A N TRP 231.A O no hydrogen 3.210 N/A THR 235.A N GLU 104.A OE2 no hydrogen 2.868 N/A THR 235.A OG1 GLU 104.A OE1 no hydrogen 2.627 N/A ALA 238.A N THR 235.A OG1 no hydrogen 3.305 N/A LYS 239.A N THR 235.A O no hydrogen 3.372 N/A LYS 239.A NZ TRP 231.A O no hydrogen 3.051 N/A LYS 239.A NZ VAL 234.A O no hydrogen 3.410 N/A SER 240.A N PRO 236.A O no hydrogen 2.797 N/A LEU 241.A N GLU 237.A O no hydrogen 3.056 N/A ILE 242.A N ALA 238.A O no hydrogen 3.049 N/A ASP 243.A N LYS 239.A O no hydrogen 2.864 N/A SER 244.A N SER 240.A O no hydrogen 2.994 N/A SER 244.A OG SER 240.A O no hydrogen 3.120 N/A MET 245.A N LEU 241.A O no hydrogen 3.132 N/A MET 245.A N ILE 242.A O no hydrogen 3.012 N/A LEU 246.A N ILE 242.A O no hydrogen 2.812 N/A THR 247.A OG1 ASP 243.A O no hydrogen 2.816 N/A THR 247.A OG1 SER 244.A O no hydrogen 3.245 N/A LYS 251.A N ASN 249.A OD1 no hydrogen 2.922 N/A LYS 252.A N ASN 249.A O no hydrogen 2.895 N/A ARG 253.A N PRO 250.A O no hydrogen 3.401 N/A ARG 253.A NE THR 247.A O no hydrogen 2.830 N/A ARG 253.A NH1 GLU 177.A OE1 no hydrogen 2.786 N/A ARG 253.A NH1 GLU 177.A OE2 no hydrogen 3.433 N/A ARG 253.A NH1 PRO 187.A O no hydrogen 2.980 N/A ARG 253.A NH2 GLU 177.A OE2 no hydrogen 2.830 N/A ARG 253.A NH2 THR 247.A O no hydrogen 2.958 N/A ARG 253.A NH2 VAL 248.A O no hydrogen 3.115 N/A ILE 254.A N SER 244.A O no hydrogen 3.201 N/A THR 255.A N GLN 258.A OE1 no hydrogen 2.934 N/A GLN 258.A N THR 255.A OG1 no hydrogen 3.090 N/A ALA 259.A N THR 255.A O no hydrogen 2.866 N/A LEU 260.A N ALA 256.A O no hydrogen 3.146 N/A LYS 261.A N GLN 258.A O no hydrogen 3.133 N/A VAL 262.A N ALA 259.A O no hydrogen 3.123 N/A TRP 264.A NE1 GLU 104.A OE1 no hydrogen 2.846 N/A ILE 265.A N VAL 262.A O no hydrogen 2.866 N/A CYS 266.A N VAL 262.A O no hydrogen 3.051 N/A CYS 266.A SG LEU 260.A O no hydrogen 3.626 N/A CYS 266.A SG VAL 262.A O no hydrogen 3.450 N/A ASN 267.A N PRO 263.A O no hydrogen 2.718 N/A ARG 270.A NE SER 273.A O no hydrogen 3.124 N/A ARG 270.A NE SER 273.A OG no hydrogen 2.548 N/A ARG 270.A NH1 SER 273.A O no hydrogen 2.952 N/A SER 273.A N ARG 270.A O no hydrogen 3.201 N/A LEU 283.A N ASP 281.A OD1 no hydrogen 3.023 N/A