Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kpk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N GLU 5.A OE1 no hydrogen 2.792 N/A THR 4.A OG1 HIS 47.A NE2 no hydrogen 2.849 N/A GLU 5.A N THR 2.A OG1 no hydrogen 3.025 N/A ILE 6.A N THR 2.A O no hydrogen 2.885 N/A LEU 7.A N GLN 3.A O no hydrogen 2.860 N/A ASP 8.A N THR 4.A O no hydrogen 2.710 N/A GLN 9.A N GLU 5.A O no hydrogen 3.106 N/A GLN 9.A NE2 GLU 5.A O no hydrogen 3.313 N/A GLN 10.A N ILE 6.A O no hydrogen 3.066 N/A LEU 11.A N LEU 7.A O no hydrogen 2.933 N/A HIS 12.A N GLU 41.A OE2 no hydrogen 2.774 N/A TYR 13.A N GLU 41.A OE1 no hydrogen 2.793 N/A TYR 13.A OH ASP 36.A OD2 no hydrogen 2.969 N/A SER 15.A N VAL 25.A O no hydrogen 2.924 N/A CYS 16.A N ASP 8.A OD1 no hydrogen 2.881 N/A CYS 16.A SG THR 4.A O no hydrogen 3.743 N/A THR 17.A N GLN 24.A O no hydrogen 3.147 N/A ASN 19.A N VAL 22.A O no hydrogen 3.121 N/A VAL 22.A N ASN 19.A O no hydrogen 3.097 N/A ALA 23.A N ILE 56.A O no hydrogen 2.990 N/A GLN 24.A N THR 17.A O no hydrogen 2.890 N/A LEU 26.A N LYS 60.A O no hydrogen 2.964 N/A ASP 27.A N TYR 13.A O no hydrogen 2.828 N/A ARG 28.A N ASN 33.A OD1 no hydrogen 2.880 N/A ARG 28.A NH1 ALA 34.A O no hydrogen 2.924 N/A ARG 28.A NH1 ASP 71.A OD2 no hydrogen 3.131 N/A ARG 28.A NH2 ASP 71.A OD2 no hydrogen 3.109 N/A LYS 31.A N ARG 28.A O no hydrogen 3.005 N/A HIS 32.A N SER 29.A O no hydrogen 2.844 N/A ASN 33.A N ARG 28.A O no hydrogen 3.115 N/A ASN 33.A ND2 ASN 62.A O no hydrogen 2.945 N/A ASN 33.A ND2 ASN 65.A O no hydrogen 3.054 N/A ASN 33.A ND2 PHE 66.A O no hydrogen 3.196 N/A ALA 34.A N LYS 31.A O no hydrogen 3.015 N/A PHE 35.A N GLY 69.A O no hydrogen 2.663 N/A GLU 37.A N GLU 37.A OE1 no hydrogen 2.764 N/A SER 40.A N GLU 37.A O no hydrogen 2.999 N/A GLU 41.A N VAL 38.A O no hydrogen 2.789 N/A GLN 43.A N SER 40.A O no hydrogen 3.002 N/A GLN 43.A NE2 SER 40.A OG no hydrogen 3.417 N/A VAL 44.A N GLU 41.A O no hydrogen 3.016 N/A GLU 46.A N ILE 42.A O no hydrogen 2.872 N/A HIS 47.A N GLN 43.A O no hydrogen 2.815 N/A HIS 47.A NE2 THR 4.A OG1 no hydrogen 2.849 N/A PHE 48.A N VAL 44.A O no hydrogen 2.957 N/A LYS 49.A N LEU 45.A O no hydrogen 2.961 N/A ARG 50.A N GLU 46.A O no hydrogen 3.355 N/A ASN 51.A N HIS 47.A O no hydrogen 3.373 N/A GLN 53.A N ASN 51.A OD1 no hydrogen 2.874 N/A CYS 54.A SG ILE 56.A O no hydrogen 3.239 N/A GLN 55.A N GLY 21.A O no hydrogen 2.704 N/A ILE 56.A N GLY 21.A O no hydrogen 3.101 N/A LEU 57.A N PRO 102.A O no hydrogen 3.103 N/A LEU 58.A N ALA 23.A O no hydrogen 2.783 N/A LEU 59.A N ILE 104.A O no hydrogen 2.814 N/A LYS 60.A NZ GLN 24.A OE1 no hydrogen 2.801 N/A ASN 62.A N LEU 26.A O no hydrogen 2.595 N/A ASN 62.A ND2 ASP 27.A OD1 no hydrogen 2.645 N/A PHE 66.A N GLN 108.A O no hydrogen 2.958 N/A SER 67.A N ALA 110.A O no hydrogen 3.138 N/A SER 67.A OG ASN 33.A O no hydrogen 2.670 N/A ALA 68.A N HIS 32.A O no hydrogen 2.856 N/A GLY 69.A N SER 67.A OG no hydrogen 2.858 N/A ASP 71.A N PHE 35.A O no hydrogen 2.818 N/A TRP 74.A N ASP 71.A OD1 no hydrogen 2.970 N/A LYS 76.A N ASN 73.A O no hydrogen 3.289 N/A GLN 77.A N TRP 74.A O no hydrogen 3.004 N/A LYS 79.A N LYS 76.A O no hydrogen 3.065 N/A ASP 80.A N GLN 83.A OE1 no hydrogen 3.051 N/A GLN 83.A N ASP 80.A OD1 no hydrogen 2.973 N/A ASN 84.A N ASP 80.A O no hydrogen 2.973 N/A ASN 84.A ND2 GLN 77.A O no hydrogen 3.520 N/A LEU 85.A N PHE 81.A O no hydrogen 2.777 N/A ALA 86.A N GLU 82.A O no hydrogen 3.156 N/A ASP 87.A N GLN 83.A O no hydrogen 3.058 N/A ALA 88.A N ASN 84.A O no hydrogen 2.988 N/A ASN 89.A N LEU 85.A O no hydrogen 2.813 N/A GLU 90.A N ALA 86.A O no hydrogen 3.038 N/A LEU 91.A N ASP 87.A O no hydrogen 3.103 N/A ALA 92.A N ALA 88.A O no hydrogen 2.705 N/A ARG 93.A N ASN 89.A O no hydrogen 2.879 N/A LEU 94.A N GLU 90.A O no hydrogen 2.951 N/A LYS 98.A N SER 95.A O no hydrogen 2.913 N/A LYS 98.A NZ ASP 97.A OD2 no hydrogen 3.160 N/A PHE 99.A N LEU 96.A O no hydrogen 3.027 N/A LYS 101.A NZ PHE 48.A O no hydrogen 2.856 N/A LYS 101.A NZ LYS 49.A O no hydrogen 3.148 N/A LYS 101.A NZ ASN 51.A O no hydrogen 2.843 N/A LYS 101.A NZ CYS 54.A O no hydrogen 3.186 N/A THR 103.A N ASP 123.A OD2 no hydrogen 3.235 N/A THR 103.A OG1 ASP 123.A OD2 no hydrogen 3.326 N/A ILE 104.A N LEU 57.A O no hydrogen 3.067 N/A THR 105.A N ILE 124.A O no hydrogen 2.721 N/A THR 105.A OG1 SER 122.A OG no hydrogen 2.425 N/A LEU 106.A N LEU 59.A O no hydrogen 2.931 N/A VAL 107.A N ILE 126.A O no hydrogen 2.727 N/A GLN 108.A N GLN 108.A OE1 no hydrogen 2.729 N/A GLN 108.A NE2 GLY 63.A O no hydrogen 2.919 N/A GLY 109.A N ASN 128.A OD1 no hydrogen 3.127 N/A ALA 111.A N SER 132.A O no hydrogen 3.014 N/A PHE 112.A N SER 67.A O no hydrogen 2.858 N/A LEU 116.A N GLY 113.A O no hydrogen 3.216 N/A LEU 118.A N GLY 114.A O no hydrogen 3.072 N/A ILE 119.A N ALA 115.A O no hydrogen 2.954 N/A CYS 120.A N LEU 116.A O no hydrogen 2.857 N/A CYS 120.A SG LEU 116.A O no hydrogen 3.434 N/A CYS 121.A N LEU 118.A O no hydrogen 3.047 N/A CYS 121.A SG GLY 117.A O no hydrogen 3.292 N/A SER 122.A N ILE 119.A O no hydrogen 3.081 N/A SER 122.A OG THR 105.A OG1 no hydrogen 2.425 N/A SER 122.A OG LEU 118.A O no hydrogen 2.960 N/A ASP 123.A N THR 103.A O no hydrogen 3.212 N/A ASP 123.A N THR 103.A OG1 no hydrogen 2.970 N/A ILE 124.A N THR 103.A O no hydrogen 3.153 N/A ILE 126.A N THR 105.A O no hydrogen 2.888 N/A ALA 127.A N ASP 181.A O no hydrogen 3.138 N/A ASN 128.A N VAL 107.A O no hydrogen 3.014 N/A GLU 129.A N ASP 184.A OD1 no hydrogen 3.099 N/A ALA 131.A N ASN 128.A O no hydrogen 3.224 N/A SER 132.A N GLY 109.A O no hydrogen 3.053 N/A PHE 133.A N PHE 168.A O no hydrogen 2.953 N/A CYS 134.A SG SER 136.A OG no hydrogen 3.178 N/A CYS 134.A SG ALA 165.A O no hydrogen 3.547 N/A GLU 137.A N GLU 137.A OE1 no hydrogen 2.703 N/A LYS 139.A N SER 136.A O no hydrogen 2.835 N/A LEU 140.A N GLU 137.A O no hydrogen 2.869 N/A GLY 141.A N VAL 138.A O no hydrogen 3.452 N/A LEU 142.A N GLU 137.A O no hydrogen 2.864 N/A SER 148.A N ALA 145.A O no hydrogen 3.374 N/A SER 148.A OG ALA 145.A O no hydrogen 2.662 N/A TYR 150.A N ILE 147.A O no hydrogen 3.106 N/A VAL 151.A N ILE 147.A O no hydrogen 2.926 N/A THR 152.A N SER 148.A O no hydrogen 3.012 N/A THR 152.A OG1 SER 148.A O no hydrogen 2.555 N/A ARG 153.A N PRO 149.A O no hydrogen 3.132 N/A ARG 153.A NH1 ASP 97.A OD1 no hydrogen 3.396 N/A ARG 153.A NH1 ASP 97.A OD2 no hydrogen 3.154 N/A ARG 153.A NH1 GLU 215.A OE2 no hydrogen 2.814 N/A ARG 153.A NH2 ASP 97.A OD1 no hydrogen 2.935 N/A ARG 153.A NH2 CYS 120.A O no hydrogen 3.262 N/A ALA 154.A N TYR 150.A O no hydrogen 3.153 N/A ALA 159.A N GLY 155.A O no hydrogen 2.991 N/A ARG 160.A N GLN 156.A O no hydrogen 2.998 N/A ARG 161.A NE GLU 166.A OE2 no hydrogen 2.952 N/A ARG 161.A NH2 GLU 166.A OE1 no hydrogen 2.680 N/A TYR 162.A N ALA 158.A O no hydrogen 2.970 N/A THR 164.A N ARG 161.A O no hydrogen 2.806 N/A THR 164.A OG1 ARG 161.A O no hydrogen 3.234 N/A THR 164.A OG1 GLU 166.A OE2 no hydrogen 2.518 N/A ALA 165.A N TYR 162.A O no hydrogen 3.015 N/A GLU 166.A N THR 164.A OG1 no hydrogen 3.237 N/A PHE 168.A N PHE 133.A O no hydrogen 2.732 N/A GLN 171.A NE2 GLU 175.A OE2 no hydrogen 2.657 N/A LYS 172.A N ASP 169.A OD1 no hydrogen 3.073 N/A ALA 173.A N ASP 169.A O no hydrogen 3.042 N/A LEU 174.A N ALA 170.A O no hydrogen 2.942 N/A GLU 175.A N GLN 171.A O no hydrogen 3.059 N/A LEU 176.A N LYS 172.A O no hydrogen 2.906 N/A GLN 177.A N LEU 174.A O no hydrogen 3.013 N/A ILE 179.A N ALA 173.A O no hydrogen 3.263 N/A HIS 180.A N ALA 125.A O no hydrogen 2.679 N/A ASN 183.A N ALA 127.A O no hydrogen 2.971 N/A ASP 185.A N ASN 183.A OD1 no hydrogen 3.018 N/A ALA 188.A N ASP 185.A OD1 no hydrogen 3.098 N/A ALA 189.A N ASP 185.A O no hydrogen 2.981 N/A ALA 190.A N LEU 186.A O no hydrogen 2.982 N/A ALA 190.A N ASP 187.A O no hydrogen 3.276 N/A GLN 191.A N ASP 187.A O no hydrogen 3.289 N/A GLN 191.A N ALA 188.A O no hydrogen 3.378 N/A GLN 191.A NE2 ASP 195.A OD1 no hydrogen 3.358 N/A ILE 194.A N ALA 190.A O no hydrogen 2.876 N/A ASP 195.A N GLN 191.A O no hydrogen 2.830 N/A ALA 196.A N PRO 192.A O no hydrogen 3.044 N/A LEU 197.A N PHE 193.A O no hydrogen 2.926 N/A LEU 198.A N ILE 194.A O no hydrogen 2.955 N/A SER 199.A N ALA 196.A O no hydrogen 3.185 N/A SER 199.A OG ASP 195.A O no hydrogen 2.685 N/A ASN 200.A N LEU 197.A O no hydrogen 3.171 N/A SER 201.A OG GLU 239.A OE1 no hydrogen 2.971 N/A SER 201.A OG GLU 239.A OE2 no hydrogen 3.317 N/A GLN 203.A N GLU 239.A OE1 no hydrogen 3.169 N/A GLN 203.A NE2 SER 237.A OG no hydrogen 2.964 N/A GLY 204.A N SER 201.A OG no hydrogen 2.880 N/A TRP 206.A N GLN 203.A O no hydrogen 2.894 N/A VAL 207.A N GLY 204.A O no hydrogen 2.791 N/A LYS 208.A NZ PHE 99.A O no hydrogen 2.815 N/A LYS 208.A NZ LYS 101.A O no hydrogen 3.452 N/A LYS 208.A NZ ASP 123.A OD1 no hydrogen 3.266 N/A LYS 208.A NZ ASP 123.A OD2 no hydrogen 2.659 N/A CYS 209.A N ALA 205.A O no hydrogen 3.208 N/A CYS 209.A SG ALA 205.A O no hydrogen 3.516 N/A LEU 210.A N TRP 206.A O no hydrogen 2.989 N/A LEU 211.A N VAL 207.A O no hydrogen 2.933 N/A SER 212.A N LYS 208.A O no hydrogen 2.992 N/A SER 213.A N CYS 209.A O no hydrogen 2.915 N/A SER 213.A OG LEU 210.A O no hydrogen 2.663 N/A SER 213.A OG HIS 226.A NE2 no hydrogen 3.347 N/A LEU 214.A N LEU 210.A O no hydrogen 3.200 N/A LEU 214.A N LEU 211.A O no hydrogen 3.109 N/A GLU 215.A N SER 212.A O no hydrogen 3.198 N/A GLY 217.A N LEU 214.A O no hydrogen 2.972 N/A VAL 218.A N ASP 216.A OD1 no hydrogen 3.063 N/A ASP 220.A N THR 223.A OG1 no hydrogen 3.111 N/A GLN 221.A NE2 ASP 225.A OD1 no hydrogen 3.002 N/A GLN 221.A NE2 ASP 225.A OD2 no hydrogen 3.421 N/A THR 223.A N ASP 220.A OD1 no hydrogen 3.037 N/A THR 223.A OG1 VAL 218.A O no hydrogen 3.349 N/A THR 223.A OG1 ASP 220.A OD1 no hydrogen 2.999 N/A LEU 224.A N ASP 220.A O no hydrogen 3.151 N/A ASP 225.A N GLN 221.A O no hydrogen 2.902 N/A HIS 226.A N ASN 222.A O no hydrogen 2.884 N/A THR 227.A N THR 223.A O no hydrogen 2.804 N/A THR 227.A OG1 THR 223.A O no hydrogen 3.149 N/A THR 227.A OG1 LEU 224.A O no hydrogen 3.233 N/A SER 228.A N LEU 224.A O no hydrogen 3.118 N/A SER 228.A OG LEU 224.A O no hydrogen 2.939 N/A GLU 229.A N ASP 225.A O no hydrogen 2.919 N/A ARG 230.A N HIS 226.A O no hydrogen 2.891 N/A ARG 230.A NE GLU 229.A OE1 no hydrogen 2.911 N/A ARG 230.A NH2 GLU 229.A OE1 no hydrogen 3.378 N/A ARG 230.A NH2 GLU 229.A OE2 no hydrogen 2.987 N/A ILE 231.A N THR 227.A O no hydrogen 3.169 N/A ALA 232.A N SER 228.A O no hydrogen 3.169 N/A ARG 233.A N GLU 229.A O no hydrogen 2.941 N/A ARG 233.A NE GLU 229.A OE2 no hydrogen 2.918 N/A ILE 234.A N ARG 230.A O no hydrogen 2.989 N/A ARG 235.A N ILE 231.A O no hydrogen 3.075 N/A SER 237.A N ARG 233.A O no hydrogen 3.171 N/A SER 237.A OG ILE 234.A O no hydrogen 2.581 N/A GLY 240.A N SER 237.A OG no hydrogen 2.868 N/A GLN 241.A N SER 237.A O no hydrogen 2.707 N/A GLU 242.A N GLU 238.A O no hydrogen 2.812 N/A GLY 243.A N GLU 239.A O no hydrogen 2.842 N/A LEU 244.A N GLY 240.A O no hydrogen 3.044 N/A ASN 245.A N GLN 241.A O no hydrogen 3.018 N/A ALA 246.A N GLU 242.A O no hydrogen 2.963 N/A PHE 247.A N GLY 243.A O no hydrogen 3.245 N/A PHE 248.A N LEU 244.A O no hydrogen 2.913 N/A GLU 249.A N ASN 245.A O no hydrogen 2.737 N/A LYS 250.A N PHE 247.A O no hydrogen 3.121 N/A ARG 251.A N ALA 246.A O no hydrogen 2.836 N/A ARG 251.A NE GLU 249.A OE1 no hydrogen 2.667 N/A ARG 251.A NH1 GLU 242.A OE1 no hydrogen 3.388 N/A ARG 251.A NH1 GLU 242.A OE2 no hydrogen 2.908 N/A ARG 251.A NH1 SER 252.A O no hydrogen 3.392 N/A ARG 251.A NH2 GLU 242.A OE1 no hydrogen 2.885 N/A ARG 251.A NH2 GLU 249.A OE1 no hydrogen 3.351 N/A SER 252.A OG PRO 253.A O no hydrogen 3.310 N/A GLN 254.A N GLU 242.A OE2 no hydrogen 2.559 N/A TRP 255.A NE1 SER 199.A O no hydrogen 3.150 N/A