Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ion_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ THR 74.A O no hydrogen 2.671 N/A LYS 3.A NZ GLU 27.A OE1 no hydrogen 2.917 N/A ARG 4.A N ASP 7.A OD2 no hydrogen 3.001 N/A ASP 7.A N ARG 4.A O no hydrogen 3.012 N/A PHE 8.A N PRO 5.A O no hydrogen 3.339 N/A LYS 9.A N ARG 26.A O no hydrogen 2.706 N/A GLY 11.A N LEU 24.A O no hydrogen 2.626 N/A LEU 14.A N VAL 22.A O no hydrogen 2.656 N/A GLY 15.A N VAL 22.A O no hydrogen 3.221 N/A GLY 17.A N SER 20.A O no hydrogen 2.808 N/A THR 21.A N ILE 38.A O no hydrogen 3.012 N/A VAL 22.A N GLY 15.A O no hydrogen 2.865 N/A VAL 23.A N ILE 36.A O no hydrogen 2.954 N/A LEU 24.A N LYS 12.A O no hydrogen 2.874 N/A ALA 25.A N TYR 34.A O no hydrogen 2.965 N/A ARG 26.A N LYS 9.A O no hydrogen 2.914 N/A GLU 27.A N ARG 32.A O no hydrogen 2.754 N/A LEU 28.A N ASP 7.A O no hydrogen 2.977 N/A THR 30.A OG1 GLU 27.A OE2 no hydrogen 2.416 N/A SER 31.A N GLU 27.A O no hydrogen 2.746 N/A ARG 32.A N THR 30.A OG1 no hydrogen 3.281 N/A TYR 34.A N ALA 25.A O no hydrogen 2.841 N/A ALA 35.A N LEU 85.A O no hydrogen 2.954 N/A ILE 36.A N VAL 23.A O no hydrogen 2.929 N/A LYS 37.A N PHE 83.A O no hydrogen 2.841 N/A LYS 37.A NZ SER 20.A OG no hydrogen 3.245 N/A ILE 38.A N THR 21.A O no hydrogen 2.740 N/A LEU 39.A N LEU 81.A O no hydrogen 2.800 N/A LYS 41.A N GLU 79.A O no hydrogen 2.927 N/A LYS 41.A NZ GLN 76.A OE1 no hydrogen 2.797 N/A LYS 41.A NZ ASP 77.A O no hydrogen 2.730 N/A ILE 44.A N GLU 40.A O no hydrogen 3.310 N/A ILE 45.A N LYS 41.A O no hydrogen 2.985 N/A LYS 46.A N ARG 42.A O no hydrogen 2.956 N/A GLU 47.A N HIS 43.A O no hydrogen 3.162 N/A ASN 48.A N ILE 45.A O no hydrogen 3.290 N/A LYS 49.A N ILE 44.A O no hydrogen 2.788 N/A VAL 53.A N LYS 49.A O no hydrogen 2.933 N/A THR 54.A N VAL 50.A O no hydrogen 2.986 N/A THR 54.A OG1 VAL 50.A O no hydrogen 2.889 N/A ARG 55.A N PRO 51.A O no hydrogen 3.085 N/A GLU 56.A N TYR 52.A O no hydrogen 2.945 N/A ARG 57.A N VAL 53.A O no hydrogen 3.112 N/A ASP 58.A N THR 54.A O no hydrogen 3.019 N/A VAL 59.A N ARG 55.A O no hydrogen 2.769 N/A MET 60.A N GLU 56.A O no hydrogen 3.006 N/A SER 61.A N ARG 57.A O no hydrogen 2.966 N/A SER 61.A OG ARG 57.A O no hydrogen 3.176 N/A ARG 62.A N VAL 59.A O no hydrogen 3.078 N/A LEU 63.A N MET 60.A O no hydrogen 3.309 N/A ASP 64.A N TYR 121.A OH no hydrogen 2.993 N/A PHE 67.A N HIS 65.A ND1 no hydrogen 3.098 N/A PHE 68.A N HIS 65.A O no hydrogen 3.093 N/A VAL 69.A N ILE 147.A O no hydrogen 2.991 N/A LYS 70.A N SER 86.A OG no hydrogen 2.980 N/A TYR 72.A N GLY 84.A O no hydrogen 2.849 N/A PHE 75.A N TYR 82.A O no hydrogen 3.048 N/A ASP 77.A N LYS 80.A O no hydrogen 3.160 N/A GLU 79.A N ASP 77.A OD1 no hydrogen 3.095 N/A LYS 80.A N ASP 77.A OD1 no hydrogen 2.740 N/A LEU 81.A N LEU 39.A O no hydrogen 2.648 N/A TYR 82.A N PHE 75.A O no hydrogen 2.786 N/A TYR 82.A OH ASP 77.A OD2 no hydrogen 2.891 N/A PHE 83.A N LYS 37.A O no hydrogen 2.857 N/A GLY 84.A N PHE 73.A O no hydrogen 2.773 N/A LEU 85.A N ALA 35.A O no hydrogen 2.949 N/A SER 86.A N LYS 70.A O no hydrogen 3.141 N/A ASN 90.A N LEU 139.A O no hydrogen 3.046 N/A ASN 90.A ND2 ASN 140.A O no hydrogen 2.955 N/A ASN 90.A ND2 GLU 141.A O no hydrogen 3.631 N/A GLY 91.A N ALA 88.A O no hydrogen 3.093 N/A LEU 93.A N ILE 137.A O no hydrogen 2.800 N/A LEU 94.A N PRO 134.A O no hydrogen 3.315 N/A LYS 95.A NZ ASN 90.A O no hydrogen 2.743 N/A TYR 96.A OH ASN 90.A OD1 no hydrogen 3.252 N/A ILE 97.A N LEU 93.A O no hydrogen 3.002 N/A ARG 98.A N LEU 94.A O no hydrogen 3.049 N/A LYS 99.A N LYS 95.A O no hydrogen 3.112 N/A ILE 100.A N TYR 96.A O no hydrogen 3.142 N/A PHE 103.A N LEU 190.A O no hydrogen 2.844 N/A CYS 107.A N ASP 104.A OD1 no hydrogen 2.969 N/A CYS 107.A SG ASP 104.A OD1 no hydrogen 3.420 N/A CYS 107.A SG LYS 272.A O no hydrogen 3.461 N/A THR 108.A N ASP 104.A O no hydrogen 3.030 N/A THR 108.A OG1 ASP 104.A O no hydrogen 2.732 N/A ARG 109.A N GLU 105.A O no hydrogen 2.937 N/A ARG 109.A NH2 GLU 105.A OE1 no hydrogen 3.363 N/A PHE 110.A N THR 106.A O no hydrogen 2.984 N/A TYR 111.A N CYS 107.A O no hydrogen 3.036 N/A TYR 111.A OH MET 143.A O no hydrogen 2.551 N/A THR 112.A N THR 108.A O no hydrogen 2.844 N/A THR 112.A OG1 THR 108.A O no hydrogen 2.649 N/A ALA 113.A N ARG 109.A O no hydrogen 2.880 N/A GLU 114.A N PHE 110.A O no hydrogen 3.063 N/A ILE 115.A N TYR 111.A O no hydrogen 3.169 N/A VAL 116.A N THR 112.A O no hydrogen 2.894 N/A SER 117.A N ALA 113.A O no hydrogen 2.991 N/A SER 117.A OG ALA 113.A O no hydrogen 2.778 N/A ALA 118.A N GLU 114.A O no hydrogen 3.088 N/A LEU 119.A N ILE 115.A O no hydrogen 2.877 N/A GLU 120.A N VAL 116.A O no hydrogen 2.841 N/A TYR 121.A N SER 117.A O no hydrogen 3.127 N/A LEU 122.A N ALA 118.A O no hydrogen 2.907 N/A HIS 123.A N LEU 119.A O no hydrogen 2.779 N/A HIS 123.A NE2 ASP 179.A OD2 no hydrogen 2.811 N/A GLY 124.A N GLU 120.A O no hydrogen 3.122 N/A LYS 125.A N LEU 122.A O no hydrogen 3.115 N/A GLY 126.A N HIS 123.A O no hydrogen 3.035 N/A ILE 127.A N LEU 122.A O no hydrogen 3.253 N/A ILE 128.A N LYS 154.A O no hydrogen 2.700 N/A HIS 129.A N ASP 179.A OD2 no hydrogen 2.924 N/A HIS 129.A NE2 THR 148.A O no hydrogen 2.901 N/A ARG 130.A N ASP 179.A OD1 no hydrogen 3.020 N/A ARG 130.A NE THR 152.A O no hydrogen 2.706 N/A ARG 130.A NH1 THR 152.A O no hydrogen 3.210 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 3.232 N/A LYS 133.A NZ GLU 135.A OE2 no hydrogen 3.399 N/A LYS 133.A NZ THR 160.A OG1 no hydrogen 2.765 N/A ASN 136.A N LYS 133.A O no hydrogen 2.903 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.692 N/A ILE 137.A N PRO 134.A O no hydrogen 3.396 N/A LEU 138.A N GLN 146.A O no hydrogen 2.912 N/A LEU 139.A N GLY 91.A O no hydrogen 2.777 N/A ASN 140.A N HIS 144.A O no hydrogen 2.976 N/A MET 143.A N ASN 140.A O no hydrogen 2.813 N/A HIS 144.A N ASN 140.A OD1 no hydrogen 2.967 N/A HIS 144.A ND1 GLU 114.A OE1 no hydrogen 2.681 N/A ILE 145.A N GLU 114.A OE2 no hydrogen 3.073 N/A GLN 146.A N LEU 138.A O no hydrogen 2.818 N/A ILE 147.A N PHE 67.A O no hydrogen 2.786 N/A THR 148.A N ASN 136.A O no hydrogen 2.864 N/A ASP 149.A N THR 148.A OG1 no hydrogen 2.708 N/A ALA 153.A N PHE 150.A O no hydrogen 3.374 N/A LYS 154.A N ILE 128.A O no hydrogen 2.793 N/A LEU 156.A N GLY 126.A O no hydrogen 2.833 N/A THR 160.A OG1 ASP 131.A OD1 no hydrogen 2.828 N/A GLN 162.A NE2 PHE 197.A O no hydrogen 2.968 N/A TYR 163.A N THR 160.A O no hydrogen 2.934 N/A TYR 163.A OH GLN 189.A OE1 no hydrogen 2.506 N/A SER 165.A OG SER 178.A OG no hydrogen 3.203 N/A GLU 167.A N GLU 167.A OE2 no hydrogen 2.805 N/A LEU 168.A N SER 165.A O no hydrogen 3.291 N/A LEU 169.A N PRO 166.A O no hydrogen 2.881 N/A THR 170.A N GLU 167.A O no hydrogen 3.146 N/A THR 170.A OG1 PRO 166.A O no hydrogen 3.310 N/A GLU 171.A N GLU 167.A O no hydrogen 2.923 N/A LYS 176.A NZ HIS 123.A O no hydrogen 2.935 N/A LYS 176.A NZ GLU 243.A OE2 no hydrogen 3.193 N/A SER 177.A OG ALA 236.A O no hydrogen 2.707 N/A SER 178.A N CYS 175.A O no hydrogen 3.223 N/A SER 178.A OG SER 165.A OG no hydrogen 3.203 N/A SER 178.A OG GLU 167.A OE1 no hydrogen 3.238 N/A LEU 180.A N LYS 176.A O no hydrogen 3.286 N/A TRP 181.A N SER 177.A O no hydrogen 2.882 N/A ALA 182.A N SER 178.A O no hydrogen 3.145 N/A LEU 183.A N ASP 179.A O no hydrogen 2.905 N/A GLY 184.A N LEU 180.A O no hydrogen 3.202 N/A CYS 185.A N TRP 181.A O no hydrogen 3.116 N/A CYS 185.A SG GLN 162.A O no hydrogen 3.940 N/A CYS 185.A SG TRP 181.A O no hydrogen 3.684 N/A ILE 186.A N ALA 182.A O no hydrogen 2.909 N/A ILE 187.A N LEU 183.A O no hydrogen 2.909 N/A TYR 188.A N GLY 184.A O no hydrogen 3.167 N/A TYR 188.A OH ASP 215.A O no hydrogen 2.546 N/A GLN 189.A N CYS 185.A O no hydrogen 2.947 N/A LEU 190.A N ILE 186.A O no hydrogen 2.863 N/A VAL 191.A N ILE 187.A O no hydrogen 3.148 N/A ALA 192.A N TYR 188.A O no hydrogen 2.726 N/A GLY 193.A N GLN 189.A O no hydrogen 2.825 N/A ARG 198.A NE PRO 195.A O no hydrogen 3.250 N/A LEU 204.A N ASN 201.A OD1 no hydrogen 3.020 N/A ILE 205.A N ASN 201.A O no hydrogen 3.150 N/A PHE 206.A N GLU 202.A O no hydrogen 3.024 N/A GLN 207.A N TYR 203.A O no hydrogen 3.040 N/A LYS 208.A N LEU 204.A O no hydrogen 3.330 N/A LYS 208.A NZ ARG 198.A O no hydrogen 2.669 N/A ILE 209.A N ILE 205.A O no hydrogen 3.016 N/A ILE 210.A N PHE 206.A O no hydrogen 3.198 N/A LYS 211.A N GLN 207.A O no hydrogen 3.260 N/A LEU 212.A N ILE 209.A O no hydrogen 3.086 N/A GLU 213.A N LYS 208.A O no hydrogen 2.748 N/A PHE 220.A N PRO 217.A O no hydrogen 3.067 N/A ARG 225.A N PHE 221.A O no hydrogen 2.738 N/A ARG 225.A NE GLU 229.A OE1 no hydrogen 2.811 N/A ARG 225.A NH1 GLU 229.A OE1 no hydrogen 3.447 N/A ASP 226.A N PRO 222.A O no hydrogen 2.954 N/A LEU 227.A N LYS 223.A O no hydrogen 3.125 N/A VAL 228.A N ALA 224.A O no hydrogen 2.974 N/A GLU 229.A N ARG 225.A O no hydrogen 2.927 N/A LYS 230.A N LEU 227.A O no hydrogen 2.991 N/A LYS 230.A NZ ASP 226.A OD2 no hydrogen 3.308 N/A LEU 231.A N VAL 228.A O no hydrogen 3.171 N/A LEU 232.A N VAL 228.A O no hydrogen 2.829 N/A THR 237.A N ASP 235.A OD1 no hydrogen 2.927 N/A LYS 238.A N ASP 235.A O no hydrogen 3.128 N/A ARG 239.A NE VAL 233.A O no hydrogen 2.728 N/A ARG 239.A NH1 GLU 167.A OE1 no hydrogen 2.994 N/A ARG 239.A NH1 GLU 167.A OE2 no hydrogen 3.428 N/A ARG 239.A NH1 SER 177.A O no hydrogen 2.755 N/A ARG 239.A NH2 GLU 167.A OE2 no hydrogen 2.740 N/A ARG 239.A NH2 VAL 233.A O no hydrogen 3.051 N/A LEU 240.A N LYS 230.A O no hydrogen 3.124 N/A CYS 242.A N ARG 239.A O no hydrogen 3.221 N/A CYS 242.A SG ALA 236.A O no hydrogen 3.782 N/A CYS 242.A SG THR 237.A O no hydrogen 3.559 N/A CYS 242.A SG ARG 239.A O no hydrogen 3.204 N/A CYS 242.A SG GLU 244.A OE1 no hydrogen 3.340 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 2.904 N/A MET 245.A N CYS 242.A O no hydrogen 3.005 N/A GLU 246.A N GLU 243.A O no hydrogen 3.032 N/A GLY 247.A N CYS 242.A O no hydrogen 2.945 N/A TYR 248.A OH HIS 123.A ND1 no hydrogen 2.547 N/A LYS 252.A N TYR 248.A O no hydrogen 2.859 N/A LYS 252.A NZ GLU 120.A OE1 no hydrogen 2.970 N/A LYS 252.A NZ GLU 120.A OE2 no hydrogen 3.395 N/A ALA 253.A N GLY 249.A O no hydrogen 2.901 N/A HIS 254.A N LEU 251.A O no hydrogen 3.270 N/A HIS 254.A NE2 ASP 226.A OD2 no hydrogen 2.793 N/A PHE 256.A N HIS 254.A ND1 no hydrogen 3.145 N/A PHE 257.A N HIS 254.A O no hydrogen 2.793 N/A GLU 258.A N PRO 255.A O no hydrogen 3.314 N/A VAL 260.A N PHE 257.A O no hydrogen 2.980 N/A GLN 267.A N ASN 264.A O no hydrogen 3.085 N/A GLN 268.A N LEU 265.A O no hydrogen 3.322 N/A GLN 268.A NE2 THR 261.A O no hydrogen 2.828 N/A GLN 268.A NE2 ASN 264.A OD1 no hydrogen 2.822 N/A