Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kpg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 10.A N HIS 6.A O no hydrogen 3.301 N/A GLN 11.A N PHE 7.A O no hydrogen 2.793 N/A ALA 12.A N ALA 8.A O no hydrogen 2.950 N/A HIS 13.A N VAL 10.A O no hydrogen 3.095 N/A HIS 13.A ND1 ILE 191.A O no hydrogen 2.994 N/A HIS 13.A NE2 TYR 31.A OH no hydrogen 2.744 N/A TYR 14.A N VAL 10.A O no hydrogen 3.151 N/A TYR 14.A OH HIS 135.A NE2 no hydrogen 2.591 N/A ASP 15.A N GLN 11.A O no hydrogen 2.991 N/A LEU 16.A N HIS 13.A O no hydrogen 3.250 N/A PHE 20.A N SER 17.A O no hydrogen 2.914 N/A PHE 20.A N SER 17.A OG no hydrogen 3.336 N/A PHE 21.A N SER 17.A O no hydrogen 3.219 N/A ARG 22.A N ASP 18.A O no hydrogen 2.866 N/A LEU 23.A N PHE 20.A O no hydrogen 2.877 N/A PHE 24.A N PHE 21.A O no hydrogen 3.006 N/A LEU 25.A N PHE 21.A O no hydrogen 3.161 N/A THR 28.A N ASP 26.A OD2 no hydrogen 3.067 N/A THR 28.A OG1 ASP 26.A OD1 no hydrogen 3.114 N/A THR 28.A OG1 ASP 26.A OD2 no hydrogen 2.678 N/A THR 28.A OG1 THR 30.A OG1 no hydrogen 2.781 N/A GLN 29.A N ASP 26.A O no hydrogen 2.747 N/A THR 30.A N THR 28.A OG1 no hydrogen 3.376 N/A THR 30.A OG1 THR 28.A OG1 no hydrogen 2.781 N/A TYR 31.A OH HIS 13.A NE2 no hydrogen 2.744 N/A TYR 31.A OH TYR 255.A OH no hydrogen 2.762 N/A CYS 33.A SG ALA 34.A O no hydrogen 3.295 N/A CYS 33.A SG LEU 219.A O no hydrogen 3.775 N/A ALA 34.A N THR 226.A OG1 no hydrogen 3.104 N/A TYR 35.A N ALA 45.A O no hydrogen 2.900 N/A PHE 36.A N HIS 222.A ND1 no hydrogen 3.054 N/A GLU 37.A N TYR 35.A O no hydrogen 2.815 N/A GLU 44.A N THR 41.A OG1 no hydrogen 3.222 N/A ALA 45.A N THR 41.A O no hydrogen 2.928 N/A GLN 46.A N LEU 42.A O no hydrogen 2.935 N/A GLN 46.A N GLN 43.A O no hydrogen 3.171 N/A GLN 46.A NE2 SER 32.A O no hydrogen 2.990 N/A ILE 47.A N GLN 43.A O no hydrogen 3.185 N/A ALA 48.A N GLU 44.A O no hydrogen 2.945 N/A LYS 49.A N ALA 45.A O no hydrogen 3.010 N/A LYS 49.A NZ SER 32.A OG no hydrogen 2.799 N/A LYS 49.A NZ CYS 33.A O no hydrogen 2.639 N/A LYS 49.A NZ GLN 46.A OE1 no hydrogen 2.779 N/A ILE 50.A N GLN 46.A O no hydrogen 2.949 N/A ASP 51.A N ILE 47.A O no hydrogen 2.826 N/A LEU 52.A N ALA 48.A O no hydrogen 2.931 N/A ALA 53.A N LYS 49.A O no hydrogen 3.035 N/A LEU 54.A N ILE 50.A O no hydrogen 2.869 N/A GLY 55.A N ASP 51.A O no hydrogen 2.695 N/A LYS 56.A N ALA 53.A O no hydrogen 3.223 N/A LYS 56.A NZ GLN 217.A OE1 no hydrogen 2.798 N/A LYS 56.A NZ GLN 271.A OE1 no hydrogen 2.974 N/A LEU 57.A N LEU 54.A O no hydrogen 3.360 N/A GLY 62.A N ASP 81.A O no hydrogen 3.118 N/A LEU 64.A N ASN 83.A O no hydrogen 2.796 N/A LEU 65.A N ARG 126.A O no hydrogen 2.964 N/A ASP 66.A N VAL 85.A O no hydrogen 2.783 N/A VAL 67.A N VAL 128.A O no hydrogen 2.959 N/A GLY 68.A N LEU 87.A O no hydrogen 2.768 N/A CYS 69.A N LEU 87.A O no hydrogen 2.952 N/A CYS 69.A SG GLY 70.A O no hydrogen 3.838 N/A CYS 69.A SG LEU 87.A O no hydrogen 3.737 N/A TRP 71.A NE1 ASP 18.A OD2 no hydrogen 3.072 N/A GLY 72.A N CYS 69.A O no hydrogen 2.932 N/A ARG 75.A NE ASP 51.A OD1 no hydrogen 3.377 N/A ARG 75.A NE ASP 51.A OD2 no hydrogen 2.625 N/A ARG 75.A NH2 ASP 51.A OD1 no hydrogen 2.859 N/A ARG 75.A NH2 ASP 51.A OD2 no hydrogen 3.182 N/A ALA 76.A N THR 74.A O no hydrogen 3.001 N/A LYS 79.A N ARG 75.A O no hydrogen 2.775 N/A TYR 80.A N ALA 76.A O no hydrogen 2.921 N/A TYR 80.A OH ASP 51.A OD2 no hydrogen 2.882 N/A ASP 81.A N VAL 77.A O no hydrogen 2.940 N/A VAL 84.A N SER 109.A O no hydrogen 2.785 N/A VAL 85.A N LEU 64.A O no hydrogen 2.899 N/A GLY 86.A N ARG 111.A O no hydrogen 2.736 N/A LEU 87.A N ASP 66.A O no hydrogen 2.919 N/A THR 88.A N LEU 113.A O no hydrogen 3.151 N/A THR 88.A OG1 GLN 93.A OE1 no hydrogen 2.762 N/A SER 90.A N THR 88.A OG1 no hydrogen 3.136 N/A SER 90.A OG ASP 15.A OD1 no hydrogen 2.573 N/A LYS 91.A N ASP 15.A OD2 no hydrogen 2.858 N/A ASN 92.A N ASP 15.A OD1 no hydrogen 2.784 N/A GLN 93.A N SER 90.A OG no hydrogen 3.152 N/A ALA 94.A N SER 90.A O no hydrogen 3.045 N/A ASN 95.A N LYS 91.A O no hydrogen 2.951 N/A HIS 96.A N ASN 92.A O no hydrogen 2.827 N/A VAL 97.A N GLN 93.A O no hydrogen 2.809 N/A GLN 98.A N ALA 94.A O no hydrogen 2.878 N/A GLN 99.A N ASN 95.A O no hydrogen 3.271 N/A GLN 99.A N HIS 96.A O no hydrogen 3.080 N/A LEU 100.A N HIS 96.A O no hydrogen 3.239 N/A VAL 101.A N VAL 97.A O no hydrogen 2.895 N/A ALA 102.A N GLN 98.A O no hydrogen 2.861 N/A ASN 103.A N GLN 99.A O no hydrogen 2.995 N/A ASN 103.A ND2 GLN 99.A O no hydrogen 2.974 N/A SER 104.A N VAL 101.A O no hydrogen 3.308 N/A GLU 105.A N GLU 105.A OE1 no hydrogen 2.538 N/A ASN 106.A N SER 104.A OG no hydrogen 3.183 N/A ARG 108.A NE ASP 81.A OD1 no hydrogen 2.943 N/A ARG 108.A NH2 ASP 81.A OD2 no hydrogen 2.777 N/A LYS 110.A NZ ASN 106.A O no hydrogen 2.766 N/A LYS 110.A NZ ARG 108.A O no hydrogen 2.906 N/A ARG 111.A N VAL 84.A O no hydrogen 2.872 N/A ARG 111.A NH1 GLU 122.A OE2 no hydrogen 3.213 N/A ARG 111.A NH2 GLU 122.A OE1 no hydrogen 2.549 N/A ARG 111.A NH2 GLU 122.A OE2 no hydrogen 3.568 N/A LEU 113.A N GLY 86.A O no hydrogen 2.805 N/A GLY 116.A N GLN 119.A OE1 no hydrogen 3.180 N/A GLU 118.A N GLU 118.A OE2 no hydrogen 2.822 N/A GLN 119.A N GLY 116.A O no hydrogen 2.869 N/A PHE 120.A N TRP 117.A O no hydrogen 3.017 N/A VAL 124.A N LEU 151.A O no hydrogen 3.058 N/A ASP 125.A N THR 63.A O no hydrogen 3.106 N/A ARG 126.A N THR 63.A O no hydrogen 3.456 N/A ARG 126.A NE LEU 57.A O no hydrogen 2.651 N/A ARG 126.A NH1 ASP 125.A O no hydrogen 2.874 N/A ILE 127.A N VAL 157.A O no hydrogen 3.156 N/A VAL 128.A N LEU 65.A O no hydrogen 2.862 N/A SER 129.A N LEU 158.A O no hydrogen 3.081 N/A SER 129.A OG VAL 67.A O no hydrogen 2.934 N/A GLY 131.A N HIS 160.A O no hydrogen 2.874 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.577 N/A HIS 135.A N ALA 132.A O no hydrogen 2.835 N/A HIS 135.A NE2 TYR 14.A OH no hydrogen 2.591 N/A PHE 136.A N PHE 133.A O no hydrogen 3.092 N/A ARG 140.A N GLY 137.A O no hydrogen 3.001 N/A ARG 140.A NH2 LYS 4.A O no hydrogen 3.018 N/A PHE 144.A N ARG 140.A O no hydrogen 2.658 N/A PHE 145.A N TYR 141.A O no hydrogen 3.122 N/A SER 146.A N ASP 142.A O no hydrogen 3.017 N/A LEU 147.A N ALA 143.A O no hydrogen 3.124 N/A ALA 148.A N PHE 144.A O no hydrogen 2.918 N/A HIS 149.A N PHE 145.A O no hydrogen 2.845 N/A ARG 150.A N SER 146.A O no hydrogen 3.035 N/A ARG 150.A NH1 ASP 121.A OD1 no hydrogen 3.058 N/A LEU 151.A N LEU 147.A O no hydrogen 2.967 N/A LEU 152.A N ALA 148.A O no hydrogen 3.220 N/A GLY 156.A N PRO 153.A O no hydrogen 2.851 N/A LEU 159.A N PHE 272.A O no hydrogen 3.011 N/A HIS 160.A N SER 129.A O no hydrogen 2.857 N/A THR 161.A N ASN 270.A O no hydrogen 2.948 N/A THR 161.A OG1 ILE 162.A O no hydrogen 2.930 N/A ILE 162.A N GLU 134.A OE2 no hydrogen 2.874 N/A THR 163.A N ASP 268.A O no hydrogen 2.835 N/A GLY 164.A N PRO 198.A O no hydrogen 2.764 N/A LEU 165.A N TYR 266.A O no hydrogen 3.211 N/A GLU 169.A N HIS 166.A O no hydrogen 2.859 N/A ILE 170.A N HIS 166.A O no hydrogen 3.351 N/A ARG 173.A N GLU 169.A O no hydrogen 3.458 N/A GLY 174.A N HIS 171.A O no hydrogen 3.206 N/A LEU 175.A N ILE 170.A O no hydrogen 3.164 N/A ALA 181.A N SER 177.A O no hydrogen 3.149 N/A ARG 182.A N PHE 178.A O no hydrogen 2.887 N/A PHE 183.A N THR 179.A O no hydrogen 2.940 N/A LEU 184.A N PHE 180.A O no hydrogen 2.938 N/A LYS 185.A N ALA 181.A O no hydrogen 3.133 N/A PHE 186.A N ARG 182.A O no hydrogen 3.102 N/A ILE 187.A N PHE 183.A O no hydrogen 3.027 N/A VAL 188.A N LEU 184.A O no hydrogen 2.994 N/A THR 189.A N LYS 185.A O no hydrogen 2.985 N/A THR 189.A OG1 LYS 185.A O no hydrogen 2.715 N/A THR 189.A OG1 PHE 186.A O no hydrogen 3.414 N/A GLU 190.A N PHE 186.A O no hydrogen 2.837 N/A ILE 191.A N ILE 187.A O no hydrogen 2.954 N/A PHE 192.A N ILE 187.A O no hydrogen 2.834 N/A GLY 195.A N PHE 192.A O no hydrogen 2.806 N/A ARG 196.A N GLU 134.A O no hydrogen 2.942 N/A GLN 203.A N ILE 200.A O no hydrogen 2.962 N/A GLU 204.A N PRO 201.A O no hydrogen 2.875 N/A ALA 206.A N VAL 202.A O no hydrogen 2.925 N/A SER 207.A N GLN 203.A O no hydrogen 3.159 N/A ALA 208.A N GLU 204.A O no hydrogen 2.870 N/A ASN 209.A N ALA 206.A O no hydrogen 3.109 N/A ASN 209.A ND2 ASP 142.A OD2 no hydrogen 3.117 N/A ASN 209.A ND2 CYS 205.A O no hydrogen 2.576 N/A GLY 210.A N SER 207.A O no hydrogen 3.200 N/A PHE 211.A N ALA 206.A O no hydrogen 3.004 N/A THR 212.A N GLN 275.A O no hydrogen 2.874 N/A THR 214.A N THR 273.A O no hydrogen 3.070 N/A GLN 217.A N GLN 271.A O no hydrogen 3.010 N/A SER 218.A OG ASP 268.A OD1 no hydrogen 2.554 N/A SER 218.A OG ASP 268.A OD2 no hydrogen 3.230 N/A LEU 219.A N VAL 269.A O no hydrogen 2.938 N/A GLN 220.A N SER 218.A OG no hydrogen 3.292 N/A GLN 220.A NE2 ILE 267.A O no hydrogen 3.024 N/A TYR 223.A N LEU 219.A O no hydrogen 3.281 N/A TYR 223.A N GLN 220.A O no hydrogen 3.026 N/A LYS 225.A N PRO 221.A O no hydrogen 3.508 N/A THR 226.A N HIS 222.A O no hydrogen 2.919 N/A THR 226.A OG1 HIS 222.A O no hydrogen 2.751 N/A LEU 227.A N TYR 223.A O no hydrogen 2.737 N/A ASP 228.A N ALA 224.A O no hydrogen 2.909 N/A LEU 229.A N LYS 225.A O no hydrogen 2.953 N/A TRP 230.A N THR 226.A O no hydrogen 2.991 N/A SER 231.A N LEU 227.A O no hydrogen 2.933 N/A SER 231.A OG LEU 227.A O no hydrogen 3.234 N/A SER 231.A OG ASP 228.A O no hydrogen 3.187 N/A ALA 232.A N ASP 228.A O no hydrogen 2.980 N/A ALA 233.A N LEU 229.A O no hydrogen 3.128 N/A LEU 234.A N TRP 230.A O no hydrogen 2.941 N/A GLN 235.A N SER 231.A O no hydrogen 2.965 N/A ALA 236.A N ALA 232.A O no hydrogen 3.367 N/A ASN 237.A N ALA 233.A O no hydrogen 3.153 N/A ASN 237.A N LEU 234.A O no hydrogen 3.122 N/A LYS 238.A N GLN 235.A O no hydrogen 3.049 N/A ALA 241.A N ASN 237.A O no hydrogen 2.823 N/A ILE 242.A N LYS 238.A O no hydrogen 2.945 N/A ALA 243.A N GLY 239.A O no hydrogen 3.018 N/A LEU 244.A N GLN 240.A O no hydrogen 2.828 N/A GLN 245.A N ALA 241.A O no hydrogen 2.751 N/A VAL 249.A N SER 246.A OG no hydrogen 3.220 N/A TYR 250.A N SER 246.A O no hydrogen 3.002 N/A GLU 251.A N GLU 247.A O no hydrogen 2.872 N/A ARG 252.A N GLU 248.A O no hydrogen 3.023 N/A TYR 253.A N VAL 249.A O no hydrogen 2.922 N/A TYR 255.A N ARG 252.A O no hydrogen 2.998 N/A TYR 255.A OH TYR 31.A OH no hydrogen 2.762 N/A LEU 256.A N TYR 253.A O no hydrogen 2.778 N/A GLY 258.A N LYS 254.A O no hydrogen 2.937 N/A CYS 259.A N TYR 255.A O no hydrogen 2.970 N/A CYS 259.A SG TYR 255.A O no hydrogen 3.281 N/A ALA 260.A N LEU 256.A O no hydrogen 3.161 N/A GLU 261.A N THR 257.A O no hydrogen 3.142 N/A ARG 263.A N ALA 260.A O no hydrogen 2.983 N/A ARG 263.A NE GLU 261.A OE2 no hydrogen 2.883 N/A ARG 263.A NH1 ASP 228.A OD2 no hydrogen 2.731 N/A ARG 263.A NH2 ASP 228.A OD1 no hydrogen 3.061 N/A ARG 263.A NH2 ASP 228.A OD2 no hydrogen 3.540 N/A ARG 263.A NH2 GLU 261.A OE1 no hydrogen 2.745 N/A ILE 264.A N GLU 261.A O no hydrogen 3.068 N/A GLY 265.A N PHE 262.A O no hydrogen 2.916 N/A TYR 266.A OH PRO 176.A O no hydrogen 2.840 N/A ASP 268.A N THR 163.A O no hydrogen 2.654 N/A VAL 269.A N ASP 268.A OD1 no hydrogen 2.697 N/A ASN 270.A N THR 161.A O no hydrogen 2.918 N/A ASN 270.A ND2 THR 163.A OG1 no hydrogen 3.121 N/A ASN 270.A ND2 ASP 268.A OD2 no hydrogen 3.110 N/A GLN 271.A N GLN 217.A O no hydrogen 2.777 N/A GLN 271.A NE2 HIS 160.A ND1 no hydrogen 2.921 N/A PHE 272.A N LEU 159.A O no hydrogen 2.696 N/A THR 273.A N ARG 215.A O no hydrogen 2.938 N/A CYS 274.A SG PHE 272.A O no hydrogen 3.595 N/A GLN 275.A N THR 212.A O no hydrogen 3.047 N/A GLN 275.A NE2 ASP 155.A O no hydrogen 3.556 N/A LYS 276.A N GLY 156.A O no hydrogen 3.098 N/A LYS 276.A NZ HIS 149.A O no hydrogen 2.830 N/A LYS 276.A NZ LEU 152.A O no hydrogen 2.632 N/A