Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3zkj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG HIS 5.A ND1 no hydrogen 3.325 N/A MET 4.A N SER 2.A OG no hydrogen 3.187 N/A HIS 5.A N SER 2.A OG no hydrogen 3.277 N/A HIS 5.A NE2 VAL 34.A O no hydrogen 2.758 N/A GLU 6.A N SER 2.A O no hydrogen 2.979 N/A ALA 7.A N PRO 3.A O no hydrogen 2.955 N/A ALA 8.A N MET 4.A O no hydrogen 3.096 N/A ILE 9.A N HIS 5.A O no hydrogen 2.913 N/A HIS 10.A NE2 GLU 6.A OE2 no hydrogen 2.949 N/A HIS 12.A N ALA 7.A O no hydrogen 2.997 N/A GLN 13.A N GLN 13.A OE1 no hydrogen 2.680 N/A LEU 16.A N HIS 12.A O no hydrogen 2.981 N/A ARG 17.A N GLN 13.A O no hydrogen 2.998 N/A ASN 18.A N LEU 14.A O no hydrogen 3.018 N/A ASN 18.A ND2 LEU 14.A O no hydrogen 3.015 N/A LEU 19.A N SER 15.A O no hydrogen 2.904 N/A ILE 20.A N LEU 16.A O no hydrogen 3.102 N/A SER 21.A N ARG 17.A O no hydrogen 3.044 N/A SER 21.A OG ASN 18.A O no hydrogen 3.264 N/A GLN 22.A N ASN 18.A O no hydrogen 2.999 N/A GLY 23.A N ILE 20.A O no hydrogen 3.278 N/A TRP 24.A N LEU 19.A O no hydrogen 3.113 N/A ASN 27.A ND2 GLY 56.A O no hydrogen 2.922 N/A THR 30.A N VAL 34.A O no hydrogen 3.056 N/A HIS 33.A N THR 30.A O no hydrogen 2.903 N/A HIS 33.A ND1 ALA 31.A O no hydrogen 3.201 N/A VAL 34.A N THR 30.A OG1 no hydrogen 3.142 N/A SER 35.A N HIS 38.A ND1 no hydrogen 3.056 N/A SER 35.A OG HIS 38.A ND1 no hydrogen 2.904 N/A HIS 38.A N SER 35.A OG no hydrogen 3.245 N/A HIS 38.A NE2 GLY 61.A O no hydrogen 2.954 N/A GLU 39.A N SER 35.A O no hydrogen 3.190 N/A ALA 40.A N PRO 36.A O no hydrogen 2.872 N/A CYS 41.A N LEU 37.A O no hydrogen 2.980 N/A CYS 41.A SG LEU 37.A O no hydrogen 3.166 N/A LEU 42.A N HIS 38.A O no hydrogen 3.145 N/A GLY 43.A N GLU 39.A O no hydrogen 3.196 N/A GLY 44.A N CYS 41.A O no hydrogen 2.956 N/A HIS 45.A N ALA 40.A O no hydrogen 3.061 N/A HIS 45.A NE2 ILE 9.A O no hydrogen 2.897 N/A VAL 49.A N HIS 45.A O no hydrogen 3.087 N/A LYS 50.A N LEU 46.A O no hydrogen 2.960 N/A ILE 51.A N SER 47.A O no hydrogen 3.010 N/A LEU 52.A N CYS 48.A O no hydrogen 2.894 N/A LEU 53.A N VAL 49.A O no hydrogen 3.003 N/A LYS 54.A N LYS 50.A O no hydrogen 3.030 N/A HIS 55.A N ILE 51.A O no hydrogen 3.275 N/A HIS 55.A N LEU 52.A O no hydrogen 3.290 N/A HIS 55.A ND1 ILE 51.A O no hydrogen 3.049 N/A GLY 56.A N LEU 53.A O no hydrogen 2.930 N/A ALA 57.A N LEU 52.A O no hydrogen 2.810 N/A GLN 58.A N ASN 27.A OD1 no hydrogen 2.844 N/A ASN 60.A ND2 GLY 89.A O no hydrogen 3.284 N/A THR 63.A N HIS 67.A O no hydrogen 2.944 N/A ALA 64.A N ASP 32.A O no hydrogen 2.810 N/A ASP 65.A N THR 63.A OG1 no hydrogen 3.099 N/A TRP 66.A N THR 63.A O no hydrogen 2.858 N/A HIS 67.A N THR 63.A OG1 no hydrogen 3.053 N/A PHE 71.A N THR 68.A OG1 no hydrogen 3.209 N/A ASN 72.A N THR 68.A O no hydrogen 2.992 N/A ASN 72.A ND2 HIS 38.A O no hydrogen 2.997 N/A ALA 73.A N PRO 69.A O no hydrogen 2.972 N/A CYS 74.A N LEU 70.A O no hydrogen 3.007 N/A CYS 74.A SG LEU 70.A O no hydrogen 3.509 N/A CYS 74.A SG PRO 101.A O no hydrogen 3.779 N/A VAL 75.A N PHE 71.A O no hydrogen 2.932 N/A SER 76.A N ASN 72.A O no hydrogen 2.963 N/A SER 76.A OG CYS 41.A O no hydrogen 3.335 N/A SER 76.A OG ALA 73.A O no hydrogen 2.867 N/A GLY 77.A N ALA 73.A O no hydrogen 3.121 N/A SER 78.A N SER 76.A OG no hydrogen 3.076 N/A TRP 79.A NE1 SER 116.A OG no hydrogen 3.062 N/A CYS 81.A N SER 78.A OG no hydrogen 3.107 N/A CYS 81.A SG SER 78.A OG no hydrogen 3.221 N/A VAL 82.A N SER 78.A O no hydrogen 3.113 N/A ASN 83.A N TRP 79.A O no hydrogen 2.859 N/A ASN 83.A ND2 TRP 79.A O no hydrogen 3.447 N/A LEU 84.A N ASP 80.A O no hydrogen 3.054 N/A LEU 85.A N CYS 81.A O no hydrogen 2.960 N/A LEU 86.A N VAL 82.A O no hydrogen 2.919 N/A GLN 87.A N ASN 83.A O no hydrogen 2.884 N/A HIS 88.A N LEU 84.A O no hydrogen 3.117 N/A HIS 88.A N LEU 85.A O no hydrogen 2.909 N/A HIS 88.A ND1 LEU 84.A O no hydrogen 3.009 N/A GLY 89.A N LEU 86.A O no hydrogen 2.973 N/A ALA 90.A N LEU 85.A O no hydrogen 2.939 N/A SER 91.A N ASN 60.A OD1 no hydrogen 2.752 N/A LEU 98.A N SER 96.A OG no hydrogen 2.788 N/A ALA 99.A N SER 96.A O no hydrogen 3.459 N/A SER 100.A OG HIS 103.A ND1 no hydrogen 2.975 N/A HIS 103.A N SER 100.A O no hydrogen 2.987 N/A HIS 103.A ND1 SER 100.A OG no hydrogen 2.975 N/A HIS 103.A NE2 GLY 132.A O no hydrogen 2.955 N/A GLU 104.A N SER 100.A O no hydrogen 2.977 N/A ALA 105.A N PRO 101.A O no hydrogen 2.880 N/A ALA 106.A N ILE 102.A O no hydrogen 2.991 N/A ARG 107.A N HIS 103.A O no hydrogen 2.790 N/A ARG 108.A N GLU 104.A O no hydrogen 3.242 N/A ARG 108.A NE GLU 104.A OE2 no hydrogen 2.563 N/A ARG 108.A NH2 GLU 104.A OE2 no hydrogen 3.242 N/A GLY 109.A N ALA 106.A O no hydrogen 3.130 N/A HIS 110.A N ALA 105.A O no hydrogen 2.886 N/A HIS 110.A ND1 CYS 74.A O no hydrogen 3.094 N/A CYS 113.A SG GLU 112.A OE2.A no hydrogen 3.603 N/A VAL 114.A N HIS 110.A O no hydrogen 2.977 N/A ASN 115.A N VAL 111.A O no hydrogen 2.722 N/A SER 116.A N GLU 112.A O no hydrogen 2.916 N/A SER 116.A OG TRP 79.A NE1 no hydrogen 3.062 N/A SER 116.A OG GLU 112.A O no hydrogen 3.433 N/A LEU 117.A N CYS 113.A O no hydrogen 2.982 N/A ILE 118.A N VAL 114.A O no hydrogen 3.027 N/A ALA 119.A N ASN 115.A O no hydrogen 2.927 N/A TYR 120.A N SER 116.A O no hydrogen 3.030 N/A TYR 120.A N LEU 117.A O no hydrogen 3.292 N/A GLY 121.A N ILE 118.A O no hydrogen 2.821 N/A GLY 122.A N LEU 117.A O no hydrogen 2.869 N/A ASP 125.A N ASN 123.A OD1 no hydrogen 3.152 N/A HIS 126.A N ASN 123.A O no hydrogen 3.179 N/A LYS 127.A NZ GLN 159.A OE1 no hydrogen 2.908 N/A LYS 127.A NZ GLY 162.A O no hydrogen 2.851 N/A ILE 128.A N GLY 132.A O no hydrogen 3.161 N/A LEU 131.A N ILE 128.A O no hydrogen 3.120 N/A GLY 132.A N ILE 128.A O no hydrogen 2.706 N/A THR 133.A N GLY 160.A O no hydrogen 2.913 N/A THR 133.A OG1 GLN 159.A O no hydrogen 2.567 N/A TYR 136.A N THR 133.A OG1 no hydrogen 3.239 N/A TYR 136.A OH ASP 164.A OD2 no hydrogen 2.569 N/A LEU 137.A N THR 133.A O no hydrogen 3.153 N/A ALA 138.A N PRO 134.A O no hydrogen 3.039 N/A CYS 139.A N LEU 135.A O no hydrogen 3.123 N/A CYS 139.A SG LEU 135.A O no hydrogen 3.263 N/A GLU 140.A N TYR 136.A O no hydrogen 2.963 N/A ASN 141.A N LEU 137.A O no hydrogen 2.818 N/A ASN 141.A ND2 LEU 137.A O no hydrogen 2.757 N/A GLN 142.A N CYS 139.A O no hydrogen 2.876 N/A GLN 143.A N ALA 138.A O no hydrogen 2.811 N/A GLN 143.A NE2 ARG 107.A O no hydrogen 3.131 N/A ARG 144.A NE GLU 177.A OE2 no hydrogen 3.102 N/A ARG 144.A NH2 GLU 177.A OE2 no hydrogen 3.543 N/A CYS 146.A SG ALA 106.A O no hydrogen 3.726 N/A VAL 147.A N GLN 143.A O no hydrogen 3.146 N/A LYS 148.A N ARG 144.A O no hydrogen 2.990 N/A LYS 149.A N ALA 145.A O no hydrogen 3.068 N/A LEU 150.A N CYS 146.A O no hydrogen 2.762 N/A LEU 151.A N VAL 147.A O no hydrogen 3.004 N/A GLU 152.A N LYS 148.A O no hydrogen 3.043 N/A SER 153.A N LYS 149.A O no hydrogen 3.007 N/A SER 153.A OG LYS 149.A O no hydrogen 2.942 N/A GLY 154.A N LEU 151.A O no hydrogen 2.893 N/A ALA 155.A N LEU 150.A O no hydrogen 2.915 N/A ASP 156.A N ASP 125.A OD1 no hydrogen 2.929 N/A ASN 158.A N ASP 156.A OD1 no hydrogen 2.897 N/A GLN 159.A N ASP 156.A O no hydrogen 3.170 N/A LYS 161.A N ASP 164.A O no hydrogen 2.824 N/A ASP 164.A N LYS 161.A O no hydrogen 2.752 N/A SER 165.A N HIS 168.A ND1 no hydrogen 3.306 N/A SER 165.A OG HIS 168.A ND1 no hydrogen 2.842 N/A HIS 168.A N SER 165.A O no hydrogen 2.802 N/A HIS 168.A ND1 SER 165.A OG no hydrogen 2.842 N/A HIS 168.A NE2 LYS 197.A O no hydrogen 2.947 N/A ALA 169.A N SER 165.A O no hydrogen 3.184 N/A VAL 170.A N PRO 166.A O no hydrogen 3.006 N/A ALA 171.A N LEU 167.A O no hydrogen 3.162 N/A ARG 172.A N HIS 168.A O no hydrogen 3.245 N/A ARG 172.A N ALA 169.A O no hydrogen 3.179 N/A ARG 172.A NH1 ASP 164.A OD2 no hydrogen 2.875 N/A ARG 172.A NH2 ASP 164.A OD1 no hydrogen 3.018 N/A ARG 172.A NH2 ASP 164.A OD2 no hydrogen 3.253 N/A THR 173.A N ALA 169.A O no hydrogen 3.417 N/A ALA 174.A N ALA 171.A O no hydrogen 3.191 N/A SER 175.A N VAL 170.A O no hydrogen 3.304 N/A LEU 178.A N SER 175.A OG no hydrogen 3.199 N/A ALA 179.A N SER 175.A O no hydrogen 2.967 N/A CYS 180.A N GLU 176.A O no hydrogen 3.122 N/A CYS 180.A SG GLU 176.A O no hydrogen 3.472 N/A LEU 181.A N GLU 177.A O no hydrogen 3.332 N/A LEU 182.A N LEU 178.A O no hydrogen 2.925 N/A MET 183.A N ALA 179.A O no hydrogen 3.081 N/A ASP 184.A N CYS 180.A O no hydrogen 2.953 N/A PHE 185.A N LEU 181.A O no hydrogen 3.147 N/A GLY 186.A N MET 183.A O no hydrogen 2.709 N/A ALA 187.A N LEU 182.A O no hydrogen 2.831 N/A ASP 188.A N ASN 158.A OD1 no hydrogen 2.783 N/A GLN 190.A N ASP 188.A OD1 no hydrogen 2.844 N/A ASN 193.A N LYS 197.A O no hydrogen 3.011 N/A GLY 196.A N ASN 193.A O no hydrogen 2.930 N/A LYS 197.A N ASN 193.A OD1 no hydrogen 2.825 N/A ARG 198.A N GLU 201.A OE1 no hydrogen 3.243 N/A GLU 201.A N ARG 198.A O no hydrogen 2.966 N/A LEU 202.A N PRO 199.A O no hydrogen 2.952 N/A SER 207.A N PRO 204.A O no hydrogen 3.093 N/A LEU 209.A N SER 207.A OG no hydrogen 3.206 N/A ALA 210.A N SER 207.A O no hydrogen 3.204 N/A LEU 212.A N PRO 208.A O no hydrogen 3.000 N/A PHE 213.A N LEU 209.A O no hydrogen 2.715 N/A LEU 214.A N ALA 210.A O no hydrogen 2.956 N/A GLU 215.A N GLN 211.A O no hydrogen 2.768 N/A ARG 216.A N LEU 212.A O no hydrogen 3.247 N/A GLN 223.A N SER 220.A OG no hydrogen 3.237 N/A LEU 224.A N SER 220.A O no hydrogen 2.937 N/A CYS 225.A N LEU 221.A O no hydrogen 2.886 N/A CYS 225.A SG LEU 221.A O no hydrogen 3.159 N/A ARG 226.A N MET 222.A O no hydrogen 2.988 N/A ARG 226.A NH1 PHE 253.A O no hydrogen 3.009 N/A LEU 227.A N GLN 223.A O no hydrogen 3.119 N/A ARG 228.A N LEU 224.A O no hydrogen 3.231 N/A ARG 228.A NH1 ARG 228.A O no hydrogen 2.988 N/A ILE 229.A N CYS 225.A O no hydrogen 2.910 N/A ARG 230.A N ARG 226.A O no hydrogen 2.925 N/A ARG 230.A NH1 LEU 254.A O no hydrogen 2.926 N/A ARG 230.A NH2 GLU 152.A O no hydrogen 3.133 N/A LYS 231.A N LEU 227.A O no hydrogen 3.035 N/A CYS 232.A N ILE 229.A O no hydrogen 2.941 N/A CYS 232.A SG ARG 228.A O no hydrogen 3.589 N/A PHE 233.A N ARG 230.A O no hydrogen 3.037 N/A GLN 236.A N SER 153.A O no hydrogen 2.992 N/A GLN 236.A NE2 ASN 115.A O no hydrogen 3.672 N/A GLN 236.A NE2 ASN 115.A OD1 no hydrogen 2.977 N/A GLN 236.A NE2 SER 153.A OG no hydrogen 3.375 N/A GLN 237.A N GLY 234.A O no hydrogen 3.065 N/A GLN 237.A NE2 ILE 235.A O no hydrogen 3.067 N/A LYS 240.A N GLN 237.A O no hydrogen 2.820 N/A LYS 240.A NZ GLN 237.A OE1 no hydrogen 3.026 N/A ILE 241.A N HIS 238.A O no hydrogen 2.847 N/A THR 242.A N HIS 239.A O no hydrogen 2.804 N/A THR 242.A OG1 HIS 239.A O no hydrogen 2.992 N/A LYS 243.A N LYS 240.A O no hydrogen 2.737 N/A LEU 244.A N ILE 241.A O no hydrogen 3.109 N/A LEU 250.A N PRO 247.A O no hydrogen 2.947 N/A LYS 251.A N PRO 247.A O no hydrogen 3.144 N/A LYS 251.A NZ THR 242.A O no hydrogen 3.069 N/A LYS 251.A NZ LEU 244.A O no hydrogen 3.127 N/A GLN 252.A N GLU 248.A O no hydrogen 3.074 N/A PHE 253.A N ASP 249.A O no hydrogen 3.079 N/A LEU 254.A N LEU 250.A O no hydrogen 2.836 N/A LEU 255.A N LYS 251.A O no hydrogen 2.929 N/A HIS 256.A N PHE 253.A O no hydrogen 3.021 N/A LEU 257.A N GLN 252.A O no hydrogen 2.920 N/A