Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3icp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N ASP 64.A OD2 no hydrogen 3.064 N/A ILE 3.A N GLU 26.A O no hydrogen 2.801 N/A VAL 4.A N VAL 65.A O no hydrogen 2.904 N/A VAL 5.A N VAL 28.A O no hydrogen 2.768 N/A THR 6.A N PHE 67.A O no hydrogen 2.932 N/A GLY 7.A N VAL 30.A O no hydrogen 2.744 N/A GLY 8.A N VAL 5.A O no hydrogen 3.332 N/A ALA 9.A N ASP 31.A OD2 no hydrogen 2.988 N/A GLY 10.A N GLY 7.A O no hydrogen 2.951 N/A SER 14.A N GLY 10.A O no hydrogen 2.811 N/A SER 14.A OG GLY 10.A O no hydrogen 2.689 N/A SER 14.A OG PHE 11.A O no hydrogen 3.075 N/A HIS 15.A N PHE 11.A O no hydrogen 3.434 N/A HIS 15.A NE2 PRO 170.A O no hydrogen 2.815 N/A LEU 16.A N ILE 12.A O no hydrogen 2.854 N/A VAL 17.A N GLY 13.A O no hydrogen 2.843 N/A ASP 18.A N SER 14.A O no hydrogen 3.022 N/A LYS 19.A N HIS 15.A O no hydrogen 3.221 N/A LYS 19.A NZ GLU 22.A OE2 no hydrogen 2.901 N/A LEU 20.A N LEU 16.A O no hydrogen 2.978 N/A VAL 21.A N VAL 17.A O no hydrogen 2.825 N/A GLU 22.A N ASP 18.A O no hydrogen 2.986 N/A LEU 23.A N LYS 19.A O no hydrogen 2.926 N/A GLY 24.A N VAL 21.A O no hydrogen 2.979 N/A TYR 25.A N LEU 20.A O no hydrogen 3.062 N/A GLU 26.A N MET 1.A O no hydrogen 3.312 N/A VAL 28.A N ILE 3.A O no hydrogen 2.766 N/A VAL 29.A N GLU 46.A O no hydrogen 2.717 N/A VAL 30.A N VAL 5.A O no hydrogen 3.163 N/A ASP 31.A N HIS 48.A O no hydrogen 3.102 N/A LEU 33.A N ASP 31.A OD1 no hydrogen 2.698 N/A SER 34.A N ASN 32.A OD1 no hydrogen 3.050 N/A SER 34.A OG ASN 32.A OD1 no hydrogen 2.762 N/A ARG 37.A N ALA 9.A O no hydrogen 2.982 N/A ARG 37.A NE GLU 39.A OE2 no hydrogen 3.112 N/A ARG 37.A NH2 GLU 39.A OE2 no hydrogen 2.731 N/A GLU 39.A N GLU 39.A OE1 no hydrogen 2.645 N/A PHE 40.A N ARG 37.A O no hydrogen 2.984 N/A VAL 41.A N ARG 38.A O no hydrogen 3.130 N/A ASN 42.A ND2 ASP 18.A OD1 no hydrogen 2.815 N/A SER 44.A N ASN 42.A OD1 no hydrogen 2.947 N/A ALA 45.A N ASN 42.A O no hydrogen 2.907 N/A GLU 46.A N VAL 27.A O no hydrogen 2.914 N/A HIS 48.A N VAL 29.A O no hydrogen 2.690 N/A HIS 48.A NE2 GLU 46.A OE2 no hydrogen 2.646 N/A ARG 50.A NH1 TRP 57.A O no hydrogen 2.674 N/A ARG 50.A NH1 ALA 59.A O no hydrogen 2.946 N/A ARG 50.A NH2 ALA 59.A O no hydrogen 3.211 N/A LYS 53.A N ASP 51.A OD1 no hydrogen 3.011 N/A LYS 53.A NZ ASP 51.A OD1 no hydrogen 2.801 N/A LYS 53.A NZ ASP 51.A OD2 no hydrogen 3.000 N/A LYS 53.A NZ GLU 88.A OE2 no hydrogen 2.875 N/A ASP 54.A N ASP 51.A O no hydrogen 2.880 N/A TYR 55.A OH GLU 98.A OE2 no hydrogen 3.014 N/A TRP 57.A N ASP 54.A O no hydrogen 3.057 N/A TRP 57.A NE1 ASN 95.A O no hydrogen 3.048 N/A ALA 59.A N SER 56.A O no hydrogen 3.217 N/A ILE 61.A N GLY 58.A O no hydrogen 2.904 N/A LYS 62.A NZ GLY 63.A O no hydrogen 3.263 N/A LYS 62.A NZ THR 103.A O no hydrogen 3.015 N/A ASP 64.A N ARG 2.A O no hydrogen 2.859 N/A VAL 66.A N THR 107.A O no hydrogen 2.916 N/A PHE 67.A N VAL 4.A O no hydrogen 2.722 N/A HIS 68.A N VAL 109.A O no hydrogen 2.903 N/A PHE 69.A N THR 6.A O no hydrogen 3.216 N/A ALA 70.A N THR 6.A OG1 no hydrogen 3.072 N/A THR 79.A N ARG 76.A O no hydrogen 2.981 N/A VAL 84.A N GLU 81.A O no hydrogen 2.898 N/A HIS 85.A N GLU 81.A O no hydrogen 3.359 N/A PHE 86.A N PRO 82.A O no hydrogen 2.851 N/A ASN 87.A N ILE 83.A O no hydrogen 2.834 N/A GLU 88.A N VAL 84.A O no hydrogen 2.894 N/A ASN 89.A N HIS 85.A O no hydrogen 3.051 N/A VAL 91.A N PHE 86.A O no hydrogen 3.182 N/A ALA 92.A N ASN 87.A O no hydrogen 3.121 N/A THR 93.A N ASN 89.A O no hydrogen 2.985 N/A THR 93.A OG1 ASN 89.A O no hydrogen 2.637 N/A PHE 94.A N VAL 90.A O no hydrogen 3.038 N/A ASN 95.A N VAL 91.A O no hydrogen 2.963 N/A ASN 95.A ND2 LEU 52.A O no hydrogen 2.888 N/A VAL 96.A N ALA 92.A O no hydrogen 2.990 N/A LEU 97.A N THR 93.A O no hydrogen 2.936 N/A GLU 98.A N PHE 94.A O no hydrogen 2.938 N/A TRP 99.A N ASN 95.A O no hydrogen 3.099 N/A TRP 99.A NE1 ILE 61.A O no hydrogen 3.019 N/A ALA 100.A N VAL 96.A O no hydrogen 2.854 N/A ARG 101.A N LEU 97.A O no hydrogen 2.853 N/A ARG 101.A NE GLU 98.A OE1 no hydrogen 2.818 N/A ARG 101.A NH2 GLU 98.A OE1 no hydrogen 3.490 N/A ARG 101.A NH2 GLU 98.A OE2 no hydrogen 2.804 N/A GLN 102.A N GLU 98.A O no hydrogen 2.896 N/A GLN 102.A NE2 TYR 55.A OH no hydrogen 3.079 N/A GLN 102.A NE2 GLU 98.A OE2 no hydrogen 3.083 N/A THR 103.A N TRP 99.A O no hydrogen 2.887 N/A THR 103.A OG1 TRP 99.A O no hydrogen 2.735 N/A GLY 104.A N ARG 101.A O no hydrogen 3.401 N/A VAL 105.A N ALA 100.A O no hydrogen 2.830 N/A ARG 106.A N ASP 64.A O no hydrogen 3.062 N/A ARG 106.A NH1 ASP 64.A OD1 no hydrogen 3.449 N/A THR 107.A OG1 GLU 215.A OE1 no hydrogen 3.359 N/A THR 107.A OG1 GLU 215.A OE2 no hydrogen 2.558 N/A VAL 108.A N ARG 158.A O no hydrogen 2.771 N/A VAL 109.A N VAL 66.A O no hydrogen 2.806 N/A PHE 110.A N LEU 160.A O no hydrogen 2.879 N/A ALA 111.A N HIS 68.A O no hydrogen 3.158 N/A SER 112.A N VAL 162.A O no hydrogen 2.640 N/A SER 112.A OG GLU 145.A OE2 no hydrogen 2.620 N/A SER 113.A OG GLU 74.A OE1 no hydrogen 2.441 N/A SER 113.A OG GLU 74.A OE2 no hydrogen 3.330 N/A SER 113.A OG THR 115.A OG1 no hydrogen 2.944 N/A SER 114.A N TYR 164.A O no hydrogen 3.021 N/A THR 115.A N SER 113.A OG no hydrogen 3.024 N/A THR 115.A OG1 SER 113.A OG no hydrogen 2.944 N/A VAL 116.A N SER 113.A O no hydrogen 3.108 N/A TYR 117.A N SER 114.A O no hydrogen 2.986 N/A TYR 117.A OH ASN 225.A OD1 no hydrogen 2.637 N/A GLY 118.A N THR 115.A O no hydrogen 3.025 N/A ALA 120.A N GLY 118.A O no hydrogen 3.029 N/A THR 125.A N THR 261.A O no hydrogen 2.759 N/A THR 125.A OG1 VAL 122.A O no hydrogen 2.559 N/A THR 125.A OG1 THR 261.A O no hydrogen 3.539 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.766 N/A GLU 129.A N PRO 126.A O no hydrogen 3.165 N/A TYR 131.A OH GLU 145.A OE1 no hydrogen 2.657 N/A LYS 132.A N VAL 116.A O no hydrogen 3.059 N/A TYR 137.A OH ASN 72.A O no hydrogen 2.672 N/A GLY 138.A N SER 135.A OG no hydrogen 2.992 N/A ALA 139.A N SER 135.A O no hydrogen 2.998 N/A ALA 140.A N VAL 136.A O no hydrogen 2.807 N/A LYS 141.A N TYR 137.A O no hydrogen 2.916 N/A LYS 141.A NZ ALA 111.A O no hydrogen 2.798 N/A ALA 142.A N GLY 138.A O no hydrogen 3.036 N/A ALA 143.A N ALA 139.A O no hydrogen 2.843 N/A GLY 144.A N ALA 140.A O no hydrogen 2.862 N/A GLU 145.A N LYS 141.A O no hydrogen 2.909 N/A VAL 146.A N ALA 142.A O no hydrogen 2.992 N/A MET 147.A N ALA 143.A O no hydrogen 3.072 N/A CYS 148.A N GLY 144.A O no hydrogen 2.937 N/A CYS 148.A SG GLY 144.A O no hydrogen 3.340 N/A ALA 149.A N GLU 145.A O no hydrogen 2.911 N/A THR 150.A N VAL 146.A O no hydrogen 3.065 N/A THR 150.A OG1 VAL 146.A O no hydrogen 2.879 N/A TYR 151.A N MET 147.A O no hydrogen 2.952 N/A TYR 151.A OH GLU 98.A OE1 no hydrogen 2.626 N/A ALA 152.A N CYS 148.A O no hydrogen 3.084 N/A ARG 153.A N ALA 149.A O no hydrogen 3.058 N/A LEU 154.A N THR 150.A O no hydrogen 2.758 N/A PHE 155.A N TYR 151.A O no hydrogen 2.890 N/A GLY 156.A N ALA 152.A O no hydrogen 3.215 N/A VAL 157.A N TYR 151.A O no hydrogen 3.270 N/A ARG 158.A N ARG 106.A O no hydrogen 3.261 N/A ARG 158.A NE ALA 219.A O no hydrogen 3.045 N/A ARG 158.A NH1 PHE 214.A O no hydrogen 3.101 N/A ARG 158.A NH2 PHE 214.A O no hydrogen 2.854 N/A ARG 158.A NH2 ALA 219.A O no hydrogen 2.776 N/A CYS 159.A N PRO 220.A O no hydrogen 2.934 N/A CYS 159.A SG VAL 108.A O no hydrogen 3.190 N/A LEU 160.A N VAL 108.A O no hydrogen 2.907 N/A ALA 161.A N LEU 222.A O no hydrogen 2.721 N/A VAL 162.A N PHE 110.A O no hydrogen 2.833 N/A ARG 163.A N LEU 224.A O no hydrogen 2.992 N/A ARG 163.A NE GLU 145.A OE1 no hydrogen 3.449 N/A ARG 163.A NE GLU 145.A OE2 no hydrogen 2.943 N/A ARG 163.A NH1 TYR 117.A OH no hydrogen 2.763 N/A ARG 163.A NH1 GLU 127.A O no hydrogen 3.201 N/A ARG 163.A NH2 GLU 145.A OE1 no hydrogen 2.866 N/A TYR 164.A OH THR 207.A OG1 no hydrogen 2.635 N/A ALA 165.A N VAL 226.A O no hydrogen 2.992 N/A ASN 166.A N SER 196.A O no hydrogen 3.171 N/A VAL 168.A N LEU 198.A O no hydrogen 3.025 N/A ARG 171.A N GLU 293.A OE1 no hydrogen 3.030 N/A ARG 171.A N GLU 293.A OE2 no hydrogen 3.158 N/A ARG 171.A NH1 SER 14.A OG no hydrogen 3.038 N/A ARG 171.A NH1 ASP 18.A OD2 no hydrogen 2.864 N/A ARG 171.A NH2 ASP 18.A OD2 no hydrogen 2.838 N/A ARG 173.A NH1 LEU 172.A O no hydrogen 2.847 N/A ARG 173.A NH1 GLU 293.A OE1 no hydrogen 2.853 N/A ARG 173.A NH2 GLU 293.A OE1 no hydrogen 2.785 N/A ASP 179.A N GLY 175.A O no hydrogen 2.996 N/A PHE 180.A N VAL 176.A O no hydrogen 2.967 N/A ILE 181.A N ILE 177.A O no hydrogen 3.058 N/A MET 182.A N TYR 178.A O no hydrogen 2.987 N/A LYS 183.A N ASP 179.A O no hydrogen 2.950 N/A LEU 184.A N PHE 180.A O no hydrogen 2.971 N/A ARG 185.A N ILE 181.A O no hydrogen 2.909 N/A ARG 186.A N MET 182.A O no hydrogen 3.133 N/A ARG 186.A N LYS 183.A O no hydrogen 2.931 N/A ASN 187.A N LYS 183.A O no hydrogen 2.881 N/A ASN 189.A N ASN 187.A OD1 no hydrogen 2.970 N/A VAL 190.A N ASN 187.A O no hydrogen 3.254 N/A LEU 191.A N GLU 250.A O no hydrogen 3.027 N/A ARG 194.A N LYS 258.A O no hydrogen 3.227 N/A LYS 195.A N VAL 232.A O no hydrogen 3.206 N/A LYS 195.A NZ ASP 256.A OD1 no hydrogen 3.283 N/A LYS 195.A NZ VAL 257.A O no hydrogen 3.224 N/A SER 196.A N MET 260.A O no hydrogen 3.227 N/A SER 196.A OG ASP 230.A O no hydrogen 2.968 N/A TYR 197.A N SER 279.A OG no hydrogen 3.020 N/A LEU 198.A N ASN 166.A O no hydrogen 2.814 N/A TYR 199.A OH ASP 289.A OD2 no hydrogen 2.632 N/A VAL 200.A N VAL 168.A O no hydrogen 2.742 N/A ALA 203.A N TYR 199.A O no hydrogen 3.052 N/A VAL 204.A N VAL 200.A O no hydrogen 2.904 N/A GLU 205.A N ARG 201.A O no hydrogen 3.096 N/A ALA 206.A N ASP 202.A O no hydrogen 2.919 N/A THR 207.A N ALA 203.A O no hydrogen 2.962 N/A THR 207.A OG1 TYR 164.A OH no hydrogen 2.635 N/A THR 207.A OG1 ALA 203.A O no hydrogen 2.704 N/A LEU 208.A N VAL 204.A O no hydrogen 2.923 N/A ALA 209.A N GLU 205.A O no hydrogen 2.898 N/A ALA 210.A N ALA 206.A O no hydrogen 2.938 N/A TRP 211.A N THR 207.A O no hydrogen 2.929 N/A TRP 211.A NE1 GLU 215.A OE2 no hydrogen 2.850 N/A LYS 212.A N LEU 208.A O no hydrogen 3.013 N/A LYS 212.A NZ GLU 216.A OE2 no hydrogen 3.084 N/A LYS 213.A N ALA 209.A O no hydrogen 3.152 N/A PHE 214.A N ALA 210.A O no hydrogen 2.786 N/A GLU 215.A N TRP 211.A O no hydrogen 2.900 N/A GLU 216.A N LYS 213.A O no hydrogen 3.050 N/A MET 217.A N PHE 214.A O no hydrogen 3.009 N/A LEU 222.A N CYS 159.A O no hydrogen 3.025 N/A LEU 224.A N ALA 161.A O no hydrogen 2.888 N/A ASN 225.A N GLU 127.A OE2 no hydrogen 2.731 N/A ASN 225.A ND2 ALA 263.A O no hydrogen 3.131 N/A VAL 226.A N ARG 163.A O no hydrogen 2.876 N/A ASN 228.A ND2 TYR 197.A O no hydrogen 2.820 N/A ASN 228.A ND2 MET 277.A O no hydrogen 2.836 N/A VAL 229.A N ASN 228.A OD1 no hydrogen 2.862 N/A VAL 232.A N LYS 195.A O no hydrogen 3.023 N/A ARG 233.A N ASP 236.A OD2 no hydrogen 3.000 N/A VAL 234.A N GLN 193.A O no hydrogen 3.115 N/A ASP 236.A N ARG 233.A O no hydrogen 2.867 N/A ILE 237.A N ARG 233.A O no hydrogen 3.138 N/A ALA 238.A N VAL 234.A O no hydrogen 3.029 N/A GLN 239.A N LEU 235.A O no hydrogen 3.082 N/A GLN 239.A NE2 GLN 239.A O no hydrogen 3.603 N/A ILE 240.A N ASP 236.A O no hydrogen 2.890 N/A VAL 241.A N ILE 237.A O no hydrogen 2.880 N/A ALA 242.A N ALA 238.A O no hydrogen 3.161 N/A GLU 243.A N GLN 239.A O no hydrogen 3.109 N/A VAL 244.A N ILE 240.A O no hydrogen 3.071 N/A LEU 245.A N VAL 241.A O no hydrogen 3.108 N/A GLY 246.A N GLU 243.A O no hydrogen 2.953 N/A LEU 247.A N ALA 242.A O no hydrogen 2.793 N/A ARG 248.A NH1 LEU 247.A O no hydrogen 2.744 N/A GLU 250.A N ASN 189.A O no hydrogen 2.933 N/A ARG 252.A N LEU 191.A O no hydrogen 3.015 N/A ARG 252.A NH2 GLU 192.A OE2 no hydrogen 3.125 N/A LYS 258.A NZ TYR 259.A OH no hydrogen 3.323 N/A MET 260.A N ARG 194.A O no hydrogen 2.924 N/A THR 261.A OG1 MET 260.A O no hydrogen 2.656 N/A ALA 263.A N THR 125.A O no hydrogen 2.764 N/A MET 268.A N VAL 264.A O no hydrogen 2.974 N/A LYS 269.A N THR 265.A O no hydrogen 2.951 N/A LEU 270.A N LYS 266.A O no hydrogen 2.897 N/A THR 271.A N LEU 267.A O no hydrogen 2.940 N/A THR 271.A OG1 LEU 267.A O no hydrogen 2.816 N/A GLY 272.A N MET 268.A O no hydrogen 2.694 N/A TRP 273.A N THR 271.A OG1 no hydrogen 3.057 N/A ARG 274.A NH1 TRP 273.A O no hydrogen 2.866 N/A THR 276.A N ASP 202.A OD2 no hydrogen 2.763 N/A THR 276.A OG1 ASP 202.A OD1 no hydrogen 2.655 N/A THR 276.A OG1 ASP 202.A OD2 no hydrogen 2.981 N/A THR 278.A N GLU 281.A OE1 no hydrogen 2.790 N/A SER 279.A N ASP 230.A OD1 no hydrogen 3.011 N/A SER 279.A N ASP 230.A OD2 no hydrogen 3.293 N/A SER 279.A OG TYR 197.A O no hydrogen 3.321 N/A SER 279.A OG ASP 230.A O no hydrogen 3.151 N/A SER 279.A OG ASP 230.A OD1 no hydrogen 2.641 N/A GLU 281.A N THR 278.A OG1 no hydrogen 3.116 N/A ALA 282.A N THR 278.A O no hydrogen 2.834 N/A VAL 283.A N SER 279.A O no hydrogen 2.998 N/A LYS 284.A N ALA 280.A O no hydrogen 3.064 N/A LYS 284.A NZ GLU 288.A OE2 no hydrogen 2.743 N/A LYS 285.A N GLU 281.A O no hydrogen 2.956 N/A THR 286.A N ALA 282.A O no hydrogen 3.028 N/A THR 286.A OG1 ALA 282.A O no hydrogen 2.744 N/A ALA 287.A N VAL 283.A O no hydrogen 2.944 N/A GLU 288.A N LYS 284.A O no hydrogen 3.067 N/A ASP 289.A N LYS 285.A O no hydrogen 2.848 N/A LEU 290.A N THR 286.A O no hydrogen 2.822 N/A ALA 291.A N ALA 287.A O no hydrogen 2.888 N/A LYS 292.A NZ GLU 288.A O no hydrogen 2.929 N/A GLU 293.A N LEU 290.A O no hydrogen 2.980 N/A LEU 294.A N LEU 290.A O no hydrogen 2.644 N/A TRP 295.A N ALA 291.A O no hydrogen 2.891 N/A