Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nag_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N ASN 49.A O no hydrogen 2.874 N/A ILE 4.A N PHE 51.A O no hydrogen 2.748 N/A ALA 5.A N VAL 25.A O no hydrogen 2.722 N/A LEU 6.A N ILE 53.A O no hydrogen 2.977 N/A ARG 7.A NE GLU 64.A OE2 no hydrogen 2.685 N/A ARG 7.A NH2 GLU 64.A OE1 no hydrogen 3.129 N/A ARG 7.A NH2 GLU 64.A OE2 no hydrogen 3.362 N/A SER 9.A N LEU 6.A O no hydrogen 2.953 N/A ALA 13.A N SER 9.A O no hydrogen 2.837 N/A ALA 14.A N LEU 10.A O no hydrogen 2.919 N/A ARG 15.A N LYS 11.A O no hydrogen 3.003 N/A ARG 15.A NH1 ASP 262.A OD2 no hydrogen 2.813 N/A ILE 16.A N LEU 12.A O no hydrogen 2.835 N/A ALA 17.A N ALA 13.A O no hydrogen 2.912 N/A GLU 18.A N ALA 14.A O no hydrogen 2.981 N/A GLU 19.A N ARG 15.A O no hydrogen 3.127 N/A LEU 20.A N ILE 16.A O no hydrogen 2.978 N/A LYS 21.A N GLU 18.A O no hydrogen 3.108 N/A THR 22.A N ALA 17.A O no hydrogen 2.878 N/A VAL 25.A N ILE 3.A O no hydrogen 2.757 N/A ASP 28.A N ARG 40.A O no hydrogen 2.949 N/A ARG 30.A N TYR 38.A O no hydrogen 3.080 N/A ARG 31.A NH1 GLY 35.A O no hydrogen 2.845 N/A PHE 32.A N GLU 36.A O no hydrogen 2.766 N/A GLY 35.A N PHE 32.A O no hydrogen 2.836 N/A GLU 36.A N ASP 34.A OD1 no hydrogen 2.978 N/A TYR 38.A N ARG 30.A O no hydrogen 2.813 N/A ARG 40.A N ASP 28.A O no hydrogen 2.927 N/A TYR 41.A OH THR 68.A OG1 no hydrogen 2.770 N/A GLU 43.A N GLU 43.A OE1 no hydrogen 2.784 N/A THR 46.A N ASP 44.A OD1 no hydrogen 3.010 N/A THR 46.A OG1 ASP 44.A OD1 no hydrogen 2.696 N/A GLY 47.A N ARG 76.A O no hydrogen 2.718 N/A HIS 48.A N LEU 45.A O no hydrogen 3.204 N/A HIS 48.A ND1 THR 46.A O no hydrogen 3.033 N/A ILE 50.A N SER 79.A O no hydrogen 2.817 N/A PHE 51.A N LYS 2.A O no hydrogen 2.835 N/A ILE 52.A N ASN 81.A O no hydrogen 2.967 N/A ILE 53.A N ILE 4.A O no hydrogen 2.790 N/A GLY 54.A N ILE 83.A O no hydrogen 3.161 N/A ASN 55.A N SER 8.A OG no hydrogen 2.823 N/A ASN 55.A ND2 THR 263.A O no hydrogen 2.913 N/A THR 56.A N TYR 86.A O no hydrogen 3.256 N/A HIS 57.A N GLU 61.A OE1 no hydrogen 2.920 N/A SER 58.A N GLU 61.A OE1 no hydrogen 3.096 N/A GLU 61.A N SER 58.A OG no hydrogen 3.008 N/A VAL 62.A N SER 58.A O no hydrogen 3.045 N/A MET 63.A N ASP 59.A O no hydrogen 3.074 N/A GLU 64.A N ALA 60.A O no hydrogen 2.886 N/A MET 65.A N GLU 61.A O no hydrogen 2.975 N/A ILE 66.A N VAL 62.A O no hydrogen 2.915 N/A LEU 67.A N MET 63.A O no hydrogen 2.824 N/A THR 68.A N GLU 64.A O no hydrogen 3.050 N/A THR 68.A OG1 TYR 41.A OH no hydrogen 2.770 N/A THR 68.A OG1 GLU 64.A O no hydrogen 2.752 N/A LEU 69.A N MET 65.A O no hydrogen 2.967 N/A SER 70.A N ILE 66.A O no hydrogen 3.193 N/A SER 70.A N LEU 67.A O no hydrogen 3.207 N/A ALA 71.A N LEU 67.A O no hydrogen 2.884 N/A ILE 72.A N THR 68.A O no hydrogen 3.093 N/A GLN 73.A N SER 70.A O no hydrogen 3.060 N/A GLN 73.A NE2 LEU 69.A O no hydrogen 2.917 N/A ASP 74.A N ALA 71.A O no hydrogen 3.241 N/A TYR 75.A N ILE 72.A O no hydrogen 3.119 N/A TYR 75.A OH TYR 41.A O no hydrogen 2.677 N/A LYS 78.A N HIS 48.A O no hydrogen 2.847 N/A SER 79.A OG ASN 49.A OD1 no hydrogen 2.623 N/A VAL 80.A N ASN 116.A OD1 no hydrogen 2.775 N/A ASN 81.A N ILE 50.A O no hydrogen 2.777 N/A ASN 81.A ND2 ILE 50.A O no hydrogen 3.067 N/A ASN 81.A ND2 SER 79.A OG no hydrogen 2.880 N/A ILE 82.A N SER 117.A O no hydrogen 2.976 N/A ILE 83.A N ILE 52.A O no hydrogen 2.866 N/A ALA 84.A N ALA 119.A O no hydrogen 2.887 N/A TYR 86.A N ASN 55.A OD1 no hydrogen 2.904 N/A TYR 87.A OH THR 108.A OG1 no hydrogen 2.633 N/A GLY 88.A N THR 56.A OG1 no hydrogen 2.944 N/A TYR 96.A N GLU 100.A OE1 no hydrogen 3.312 N/A GLY 99.A N ASN 98.A OD1 no hydrogen 2.740 N/A SER 104.A OG THR 128.A OG1 no hydrogen 2.851 N/A GLN 105.A N ILE 102.A O no hydrogen 2.933 N/A ILE 106.A N ILE 102.A O no hydrogen 3.376 N/A LEU 107.A N SER 103.A O no hydrogen 3.095 N/A THR 108.A N SER 104.A O no hydrogen 2.983 N/A THR 108.A OG1 TYR 87.A OH no hydrogen 2.633 N/A THR 108.A OG1 SER 104.A O no hydrogen 2.619 N/A GLU 109.A N GLN 105.A O no hydrogen 2.901 N/A ILE 110.A N ILE 106.A O no hydrogen 3.025 N/A TYR 111.A N LEU 107.A O no hydrogen 2.965 N/A SER 112.A N THR 108.A O no hydrogen 2.858 N/A SER 112.A OG SER 132.A OG no hydrogen 3.369 N/A SER 113.A N GLU 109.A O no hydrogen 2.901 N/A SER 113.A N ILE 110.A O no hydrogen 3.039 N/A SER 113.A OG GLU 109.A O no hydrogen 2.752 N/A TYR 114.A N TYR 111.A O no hydrogen 3.171 N/A SER 115.A OG TYR 111.A O no hydrogen 2.765 N/A ASN 116.A N VAL 80.A O no hydrogen 2.696 N/A SER 117.A OG ASN 81.A OD1 no hydrogen 2.747 N/A ILE 118.A N LYS 135.A O no hydrogen 2.931 N/A ALA 119.A N ILE 82.A O no hydrogen 2.786 N/A THR 120.A N SER 137.A O no hydrogen 3.059 N/A THR 120.A OG1 ALA 84.A O no hydrogen 2.529 N/A THR 120.A OG1 PRO 85.A O no hydrogen 3.328 N/A VAL 121.A N PRO 85.A O no hydrogen 3.181 N/A ASP 122.A N LEU 139.A O no hydrogen 2.711 N/A ILE 123.A N ASP 138.A OD1 no hydrogen 2.933 N/A HIS 124.A ND1 ASP 211.A OD2 no hydrogen 2.630 N/A LYS 127.A N ASP 125.A OD2 no hydrogen 3.118 N/A THR 128.A N ASP 125.A O no hydrogen 3.332 N/A THR 128.A OG1 SER 104.A OG no hydrogen 2.851 N/A LEU 129.A N GLU 126.A O no hydrogen 3.033 N/A SER 130.A N LYS 127.A O no hydrogen 2.855 N/A SER 130.A OG LYS 127.A O no hydrogen 2.657 N/A TYR 131.A N THR 128.A O no hydrogen 2.991 N/A TYR 131.A OH HIS 93.A O no hydrogen 2.900 N/A SER 132.A N LEU 129.A O no hydrogen 3.496 N/A SER 132.A OG SER 112.A OG no hydrogen 3.369 N/A SER 132.A OG VAL 134.A O no hydrogen 2.553 N/A LYS 133.A N SER 112.A OG no hydrogen 2.998 N/A LYS 133.A NZ GLU 109.A O no hydrogen 3.314 N/A LYS 133.A NZ SER 113.A OG no hydrogen 3.137 N/A VAL 134.A N SER 112.A OG no hydrogen 3.035 N/A SER 137.A N ILE 118.A O no hydrogen 2.884 N/A LEU 139.A N THR 120.A O no hydrogen 2.810 N/A HIS 140.A ND1 ASP 122.A OD1 no hydrogen 2.925 N/A ALA 141.A N ASP 122.A OD2 no hydrogen 2.811 N/A ASN 142.A ND2 ASP 170.A OD2 no hydrogen 2.753 N/A ILE 145.A N ALA 141.A O no hydrogen 3.021 N/A VAL 146.A N ASN 142.A O no hydrogen 2.843 N/A ARG 147.A N ASP 143.A O no hydrogen 2.891 N/A TYR 148.A N ALA 144.A O no hydrogen 3.139 N/A TYR 149.A N ILE 145.A O no hydrogen 3.101 N/A TYR 149.A OH SER 237.A OG no hydrogen 2.716 N/A VAL 152.A N TYR 149.A O no hydrogen 3.013 N/A ASP 155.A N LYS 205.A O no hydrogen 2.758 N/A TYR 156.A N LYS 205.A O no hydrogen 3.222 N/A VAL 157.A N LYS 178.A O no hydrogen 3.122 N/A VAL 158.A N LEU 207.A O no hydrogen 2.714 N/A SER 159.A N PHE 180.A O no hydrogen 3.051 N/A SER 159.A OG ASP 161.A O no hydrogen 2.751 N/A GLY 163.A N ASP 161.A OD1 no hydrogen 3.156 N/A GLY 164.A N ASP 161.A OD1 no hydrogen 3.423 N/A VAL 168.A N GLY 164.A O no hydrogen 3.383 N/A ALA 169.A N LEU 165.A O no hydrogen 2.854 N/A ASP 170.A N ALA 166.A O no hydrogen 3.012 N/A ILE 171.A N ARG 167.A O no hydrogen 2.885 N/A SER 172.A N VAL 168.A O no hydrogen 2.931 N/A SER 172.A OG VAL 168.A O no hydrogen 2.767 N/A SER 172.A OG ALA 169.A O no hydrogen 3.083 N/A SER 172.A OG HIS 179.A ND1 no hydrogen 3.105 N/A ALA 173.A N ALA 169.A O no hydrogen 2.976 N/A LYS 174.A N ASP 170.A O no hydrogen 2.970 N/A LYS 174.A NZ ASP 143.A OD1 no hydrogen 2.793 N/A LYS 174.A NZ ASP 170.A OD1 no hydrogen 3.370 N/A LYS 174.A NZ ASP 170.A OD2 no hydrogen 2.910 N/A LEU 175.A N ILE 171.A O no hydrogen 2.943 N/A GLY 176.A N ALA 173.A O no hydrogen 3.130 N/A LYS 177.A N SER 172.A O no hydrogen 2.791 N/A LYS 177.A NZ VAL 154.A O no hydrogen 2.890 N/A PHE 180.A N VAL 157.A O no hydrogen 3.082 N/A PHE 181.A N VAL 196.A O no hydrogen 2.983 N/A ILE 182.A N SER 159.A O no hydrogen 2.956 N/A GLU 183.A N MET 194.A O no hydrogen 2.804 N/A LYS 185.A N VAL 192.A O no hydrogen 3.014 N/A ILE 187.A N ARG 190.A O no hydrogen 2.828 N/A ARG 190.A N ILE 187.A O no hydrogen 3.309 N/A VAL 192.A N LYS 185.A O no hydrogen 2.881 N/A MET 194.A N GLU 183.A O no hydrogen 2.953 N/A LYS 195.A NZ ASN 198.A OD1 no hydrogen 2.709 N/A LYS 195.A NZ VAL 199.A O no hydrogen 2.819 N/A VAL 196.A N PHE 181.A O no hydrogen 2.898 N/A VAL 199.A N PRO 197.A O no hydrogen 2.768 N/A ASN 202.A N ASP 200.A OD1 no hydrogen 3.024 N/A GLY 203.A N GLY 230.A O no hydrogen 2.754 N/A LYS 204.A N VAL 201.A O no hydrogen 2.972 N/A LYS 205.A N ASP 155.A OD2 no hydrogen 2.737 N/A LYS 205.A NZ ASP 153.A OD2 no hydrogen 2.642 N/A LEU 206.A N LYS 233.A O no hydrogen 2.797 N/A LEU 207.A N TYR 156.A O no hydrogen 2.886 N/A ILE 208.A N TYR 235.A O no hydrogen 2.813 N/A VAL 209.A N VAL 158.A O no hydrogen 2.915 N/A ASP 210.A N SER 237.A O no hydrogen 3.033 N/A ASP 211.A N ASP 210.A OD1 no hydrogen 2.798 N/A ILE 213.A N HIS 240.A O no hydrogen 2.925 N/A GLY 217.A N THR 215.A OG1 no hydrogen 3.267 N/A ALA 220.A N GLY 216.A O no hydrogen 2.857 N/A LYS 221.A N GLY 217.A O no hydrogen 2.978 N/A SER 222.A N THR 218.A O no hydrogen 3.177 N/A SER 222.A OG PRO 160.A O no hydrogen 3.342 N/A SER 222.A OG THR 218.A O no hydrogen 3.409 N/A SER 223.A N ILE 219.A O no hydrogen 2.843 N/A SER 223.A OG ILE 219.A O no hydrogen 3.041 N/A GLY 224.A N ALA 220.A O no hydrogen 3.049 N/A LEU 225.A N LYS 221.A O no hydrogen 3.077 N/A LEU 226.A N SER 222.A O no hydrogen 3.103 N/A ARG 227.A N SER 223.A O no hydrogen 2.880 N/A ARG 227.A NE ASN 254.A O no hydrogen 2.844 N/A ARG 227.A NH1 ALA 231.A O no hydrogen 3.140 N/A ARG 227.A NH2 ASN 254.A O no hydrogen 2.716 N/A ARG 227.A NH2 ASP 256.A OD2 no hydrogen 2.533 N/A GLU 228.A N GLY 224.A O no hydrogen 2.981 N/A LYS 229.A N LEU 225.A O no hydrogen 3.076 N/A GLY 230.A N ARG 227.A O no hydrogen 2.944 N/A ALA 231.A N LEU 226.A O no hydrogen 2.953 N/A SER 232.A N LYS 204.A O no hydrogen 2.867 N/A LYS 233.A NZ GLU 257.A OE2 no hydrogen 3.469 N/A ILE 234.A N ASP 256.A OD2 no hydrogen 2.792 N/A TYR 235.A N LEU 206.A O no hydrogen 2.840 N/A VAL 236.A N GLU 257.A O no hydrogen 2.875 N/A SER 237.A N ILE 208.A O no hydrogen 2.830 N/A SER 237.A OG TYR 149.A OH no hydrogen 2.716 N/A SER 237.A OG HIS 259.A O no hydrogen 2.565 N/A VAL 239.A N ASP 210.A O no hydrogen 3.342 N/A HIS 240.A N ASP 211.A O no hydrogen 2.869 N/A HIS 240.A ND1 THR 263.A OG1 no hydrogen 2.883 N/A HIS 240.A NE2 ASP 122.A O no hydrogen 3.122 N/A LEU 242.A N ILE 213.A O no hydrogen 2.832 N/A PHE 243.A N ILE 213.A O no hydrogen 3.134 N/A VAL 244.A N SER 214.A O no hydrogen 2.984 N/A SER 247.A N VAL 244.A O no hydrogen 2.930 N/A SER 247.A OG SER 214.A O no hydrogen 3.426 N/A SER 247.A OG VAL 244.A O no hydrogen 3.142 N/A LYS 250.A N GLY 246.A O no hydrogen 3.345 N/A ILE 251.A N SER 247.A O no hydrogen 3.016 N/A LEU 252.A N GLU 248.A O no hydrogen 2.964 N/A GLN 253.A N LYS 250.A O no hydrogen 3.422 N/A ASN 254.A N ILE 251.A O no hydrogen 3.218 N/A ALA 255.A N ILE 251.A O no hydrogen 2.929 N/A ASP 256.A N ILE 234.A O no hydrogen 2.877 N/A HIS 259.A N VAL 236.A O no hydrogen 2.831 N/A HIS 259.A ND1 ASP 270.A OD2 no hydrogen 2.496 N/A HIS 259.A NE2 GLU 257.A OE1 no hydrogen 2.830 N/A VAL 260.A N PHE 268.A O no hydrogen 2.916 N/A THR 261.A N VAL 239.A O no hydrogen 3.354 N/A THR 261.A OG1 VAL 239.A O no hydrogen 2.656 N/A ASP 262.A N ILE 271.A O no hydrogen 3.099 N/A THR 263.A N THR 261.A OG1 no hydrogen 3.101 N/A THR 263.A OG1 VAL 239.A O no hydrogen 3.081 N/A THR 263.A OG1 HIS 240.A ND1 no hydrogen 2.883 N/A THR 263.A OG1 THR 261.A OG1 no hydrogen 3.148 N/A SER 266.A N SER 269.A OG no hydrogen 2.828 N/A PHE 268.A N SER 266.A OG no hydrogen 3.136 N/A SER 269.A N SER 266.A O no hydrogen 3.042 N/A SER 269.A OG THR 261.A O no hydrogen 2.955 N/A SER 269.A OG VAL 264.A O no hydrogen 3.123 N/A SER 269.A OG GLU 265.A OE1 no hydrogen 3.461 N/A SER 269.A OG SER 266.A O no hydrogen 3.194 N/A ASP 270.A N VAL 260.A O no hydrogen 3.068 N/A ILE 271.A N VAL 260.A O no hydrogen 3.162 N/A SER 272.A OG ASP 262.A OD2 no hydrogen 2.619 N/A VAL 273.A N ASP 262.A OD1 no hydrogen 2.966 N/A TYR 274.A N SER 272.A OG no hydrogen 3.292 N/A GLN 275.A NE2 ASN 279.A OD1 no hydrogen 2.720 N/A VAL 277.A N VAL 273.A O no hydrogen 3.132 N/A CYS 278.A N TYR 274.A O no hydrogen 2.791 N/A CYS 278.A SG ILE 16.A O no hydrogen 3.763 N/A CYS 278.A SG TYR 274.A O no hydrogen 3.140 N/A ASN 279.A N GLN 275.A O no hydrogen 2.896 N/A TYR 280.A N GLU 276.A O no hydrogen 3.302 N/A ILE 281.A N VAL 277.A O no hydrogen 2.897 N/A ARG 282.A N CYS 278.A O no hydrogen 2.750 N/A ARG 282.A NH1 GLU 19.A OE2 no hydrogen 3.127 N/A ARG 282.A NH2 GLU 19.A OE2 no hydrogen 2.739 N/A ASP 283.A N ASN 279.A O no hydrogen 2.912 N/A ILE 284.A N ILE 281.A O no hydrogen 3.251 N/A