Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ngv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A NE1 GLN 60.A OE1 no hydrogen 2.656 N/A LEU 6.A N GLN 77.A OE1 no hydrogen 2.839 N/A ASP 7.A N GLN 10.A OE1 no hydrogen 2.859 N/A GLN 10.A N ASP 7.A OD1 no hydrogen 2.858 N/A ALA 11.A N ASP 7.A O no hydrogen 3.000 N/A LEU 12.A N ALA 8.A O no hydrogen 2.871 N/A TYR 13.A N GLU 9.A O no hydrogen 2.862 N/A VAL 14.A N GLN 10.A O no hydrogen 3.260 N/A TYR 15.A N ALA 11.A O no hydrogen 2.909 N/A TYR 15.A OH TYR 131.A O no hydrogen 2.760 N/A LYS 16.A N LEU 12.A O no hydrogen 2.912 N/A ARG 17.A N TYR 13.A O no hydrogen 2.952 N/A ARG 17.A NE ASP 21.A OD2 no hydrogen 2.771 N/A ARG 17.A NH1 GLU 209.A OE1.A no hydrogen 2.974 N/A ARG 17.A NH1 GLU 209.A OE1.B no hydrogen 3.153 N/A ARG 17.A NH1 GLU 209.A OE2.B no hydrogen 2.831 N/A ARG 17.A NH2 GLU 209.A OE1.A no hydrogen 3.329 N/A ARG 17.A NH2 GLU 209.A OE1.B no hydrogen 3.282 N/A ARG 17.A NH2 GLU 209.A OE2.A no hydrogen 2.934 N/A CYS 18.A N VAL 14.A O no hydrogen 2.941 N/A CYS 18.A SG VAL 14.A O no hydrogen 3.360 N/A TYR 19.A N TYR 15.A O no hydrogen 3.090 N/A GLU 20.A N LYS 16.A O no hydrogen 2.912 N/A ASP 21.A N ARG 17.A O no hydrogen 2.936 N/A HIS 22.A N TYR 19.A O no hydrogen 3.385 N/A LEU 23.A N TYR 19.A O no hydrogen 2.899 N/A ARG 29.A N GLY 26.A O no hydrogen 3.116 N/A ARG 29.A NH1 LEU 272.A O no hydrogen 3.044 N/A ARG 29.A NH2 LEU 272.A O no hydrogen 3.105 N/A TYR 32.A OH ASP 45.A OD2 no hydrogen 2.596 N/A MET 33.A N ARG 29.A O no hydrogen 2.749 N/A THR 34.A N LYS 30.A O no hydrogen 2.903 N/A THR 34.A OG1 LYS 30.A O no hydrogen 2.887 N/A THR 34.A OG1 THR 31.A O no hydrogen 3.320 N/A LEU 35.A N THR 31.A O no hydrogen 3.255 N/A TRP 36.A N TYR 32.A O no hydrogen 2.769 N/A TRP 36.A NE1 GLU 42.A O no hydrogen 3.058 N/A ASN 37.A N MET 33.A O no hydrogen 2.843 N/A ALA 38.A N LEU 35.A O no hydrogen 3.081 N/A TRP 39.A N TRP 36.A O no hydrogen 2.862 N/A ARG 40.A N LEU 35.A O no hydrogen 2.944 N/A ARG 40.A NE GLU 42.A OE2 no hydrogen 3.305 N/A ARG 40.A NH2 GLU 42.A OE2 no hydrogen 2.957 N/A THR 48.A N ASP 45.A OD1 no hydrogen 2.942 N/A THR 48.A OG1 PRO 43.A O no hydrogen 2.850 N/A THR 48.A OG1 ASP 45.A OD1 no hydrogen 3.131 N/A HIS 49.A N ASP 45.A O no hydrogen 2.899 N/A HIS 49.A NE2 ASN 44.A OD1 no hydrogen 2.699 N/A CYS 50.A N ALA 46.A O no hydrogen 3.051 N/A CYS 50.A SG ALA 46.A O no hydrogen 3.780 N/A TYR 51.A N ILE 47.A O no hydrogen 3.083 N/A ALA 52.A N THR 48.A O no hydrogen 2.937 N/A LYS 53.A N HIS 49.A O no hydrogen 3.040 N/A LYS 53.A NZ GLY 107.A O no hydrogen 2.826 N/A CYS 54.A N CYS 50.A O no hydrogen 2.899 N/A VAL 55.A N TYR 51.A O no hydrogen 2.917 N/A LEU 56.A N ALA 52.A O no hydrogen 2.899 N/A THR 57.A N LYS 53.A O no hydrogen 2.878 N/A THR 57.A OG1 LYS 53.A O no hydrogen 2.851 N/A GLY 58.A N CYS 54.A O no hydrogen 2.859 N/A LEU 59.A N VAL 55.A O no hydrogen 2.907 N/A GLN 60.A N THR 57.A O no hydrogen 3.003 N/A ILE 61.A N LEU 56.A O no hydrogen 2.971 N/A TYR 62.A N LEU 56.A O no hydrogen 3.102 N/A TYR 62.A OH ASN 67.A OD1 no hydrogen 2.724 N/A ASP 63.A N ALA 68.A O no hydrogen 2.895 N/A GLU 66.A N ASP 63.A OD2 no hydrogen 2.977 N/A ASN 67.A N PRO 64.A O no hydrogen 3.178 N/A ASN 67.A ND2 LYS 105.A O no hydrogen 3.009 N/A ALA 68.A N ASP 63.A O no hydrogen 3.282 N/A LYS 70.A N ILE 61.A O no hydrogen 2.795 N/A LYS 70.A NZ GLU 66.A OE1 no hydrogen 2.876 N/A ARG 73.A N LYS 70.A O no hydrogen 2.996 N/A ARG 73.A NH1 GLN 60.A O no hydrogen 2.848 N/A ILE 74.A N SER 71.A O no hydrogen 3.220 N/A GLN 77.A N ARG 73.A O no hydrogen 2.770 N/A GLN 77.A NE2 LEU 6.A O no hydrogen 2.993 N/A GLN 77.A NE2 LEU 130.A O no hydrogen 2.993 N/A TYR 78.A N ILE 74.A O no hydrogen 2.987 N/A TYR 78.A OH SER 87.A O no hydrogen 2.979 N/A GLN 79.A N PRO 75.A O no hydrogen 2.769 N/A ALA 80.A N VAL 76.A O no hydrogen 3.251 N/A TYR 81.A N TYR 78.A O no hydrogen 3.268 N/A LYS 82.A NZ GLN 79.A OE1 no hydrogen 3.177 N/A ILE 84.A N TYR 81.A O no hydrogen 2.911 N/A THR 85.A N TYR 81.A O no hydrogen 3.070 N/A THR 85.A OG1 TYR 81.A O no hydrogen 3.515 N/A THR 85.A OG1 SER 87.A OG no hydrogen 3.389 N/A GLN 86.A N LYS 82.A O no hydrogen 2.971 N/A SER 87.A N THR 85.A OG1 no hydrogen 3.233 N/A SER 87.A OG THR 85.A OG1 no hydrogen 3.389 N/A GLN 89.A NE2 GLN 89.A O no hydrogen 2.995 N/A GLN 89.A NE2 THR 93.A OG1 no hydrogen 3.196 N/A GLU 91.A N LYS 88.A O no hydrogen 2.968 N/A VAL 92.A N LYS 88.A O no hydrogen 3.070 N/A THR 93.A N GLN 89.A O no hydrogen 2.962 N/A THR 93.A OG1 GLN 89.A O no hydrogen 3.283 N/A GLU 94.A N LYS 90.A O no hydrogen 3.125 N/A TYR 95.A N GLU 91.A O no hydrogen 2.857 N/A TYR 95.A OH TYR 116.A OH no hydrogen 2.766 N/A GLN 96.A N VAL 92.A O no hydrogen 2.941 N/A LYS 97.A N THR 93.A O no hydrogen 2.974 N/A LYS 97.A NZ GLU 94.A OE2 no hydrogen 3.004 N/A ALA 98.A N GLU 94.A O no hydrogen 2.942 N/A LEU 99.A N TYR 95.A O no hydrogen 2.865 N/A ALA 100.A N GLN 96.A O no hydrogen 2.947 N/A ALA 101.A N LYS 97.A O no hydrogen 3.203 N/A ALA 101.A N ALA 98.A O no hydrogen 3.092 N/A ALA 102.A N LEU 99.A O no hydrogen 2.971 N/A LYS 105.A N ASN 103.A OD1 no hydrogen 2.891 N/A SER 106.A N ASP 111.A OD2 no hydrogen 2.954 N/A SER 106.A OG ASP 111.A OD2 no hydrogen 2.594 N/A GLY 107.A N ALA 104.A O no hydrogen 2.920 N/A SER 108.A N SER 106.A OG no hydrogen 3.167 N/A SER 108.A OG SER 106.A OG no hydrogen 3.203 N/A ASP 111.A N SER 108.A OG no hydrogen 3.114 N/A LEU 112.A N SER 108.A O no hydrogen 2.987 N/A TYR 113.A N CYS 109.A O no hydrogen 2.886 N/A TYR 113.A OH LEU 41.A O no hydrogen 2.726 N/A ASN 114.A N VAL 110.A O no hydrogen 2.825 N/A ALA 115.A N ASP 111.A O no hydrogen 3.033 N/A TYR 116.A N LEU 112.A O no hydrogen 2.890 N/A TYR 116.A OH TYR 95.A OH no hydrogen 2.766 N/A LEU 117.A N TYR 113.A O no hydrogen 2.907 N/A HIS 120.A N TYR 116.A O no hydrogen 2.856 N/A HIS 120.A NE2 TRP 39.A O no hydrogen 2.784 N/A ASN 121.A N LEU 117.A O no hydrogen 2.897 N/A ARG 122.A N VAL 119.A O no hydrogen 3.085 N/A PHE 123.A N VAL 119.A O no hydrogen 2.903 N/A PHE 123.A N HIS 120.A O no hydrogen 3.197 N/A SER 127.A N PHE 123.A O no hydrogen 2.809 N/A SER 127.A OG PHE 123.A O no hydrogen 3.540 N/A SER 127.A OG VAL 124.A O no hydrogen 2.747 N/A ARG 128.A N VAL 124.A O no hydrogen 3.063 N/A ARG 128.A N ASN 125.A O no hydrogen 3.211 N/A ARG 128.A NE GLY 133.A O no hydrogen 2.959 N/A ARG 128.A NH2 GLY 133.A O no hydrogen 3.129 N/A GLN 129.A N ASN 125.A O no hydrogen 3.164 N/A LEU 130.A N LEU 126.A O no hydrogen 2.806 N/A TYR 131.A N SER 127.A O no hydrogen 2.895 N/A HIS 132.A NE2 LEU 6.A O no hydrogen 2.970 N/A GLY 133.A N ARG 128.A O no hydrogen 2.790 N/A GLY 137.A N THR 134.A OG1 no hydrogen 2.981 N/A ALA 138.A N THR 134.A O no hydrogen 2.917 N/A ALA 139.A N VAL 135.A O no hydrogen 2.871 N/A LYS 140.A N GLU 136.A O no hydrogen 3.194 N/A ILE 141.A N GLY 137.A O no hydrogen 3.304 N/A TYR 142.A N ALA 138.A O no hydrogen 2.882 N/A ALA 143.A N ALA 139.A O no hydrogen 2.937 N/A ALA 144.A N LYS 140.A O no hydrogen 3.151 N/A ALA 144.A N ILE 141.A O no hydrogen 3.052 N/A MET 145.A N TYR 142.A O no hydrogen 3.116 N/A GLU 147.A N GLU 147.A OE1 no hydrogen 2.633 N/A ILE 148.A N MET 145.A O no hydrogen 3.022 N/A LYS 149.A NZ GLN 150.A O no hydrogen 2.948 N/A LYS 149.A NZ GLU 153.A O no hydrogen 2.829 N/A LYS 149.A NZ SER 265.A O no hydrogen 2.710 N/A GLN 150.A N GLU 153.A OE1 no hydrogen 2.976 N/A GLN 150.A NE2 TYR 142.A O no hydrogen 3.451 N/A GLN 150.A NE2 ILE 148.A O no hydrogen 3.062 N/A GLY 152.A N ALA 266.A O no hydrogen 2.768 N/A GLU 153.A N GLN 150.A O no hydrogen 3.164 N/A SER 154.A OG GLU 262.A OE2 no hydrogen 2.814 N/A PHE 155.A N SER 265.A OG no hydrogen 2.934 N/A ALA 157.A N SER 154.A OG no hydrogen 2.907 N/A TYR 158.A N SER 154.A O no hydrogen 2.994 N/A TYR 158.A OH GLU 147.A O no hydrogen 2.715 N/A CYS 159.A N PHE 155.A O no hydrogen 2.788 N/A CYS 159.A SG PHE 155.A O no hydrogen 3.114 N/A GLU 160.A N HIS 156.A O no hydrogen 3.008 N/A LYS 161.A N ALA 157.A O no hydrogen 3.179 N/A ARG 162.A N TYR 158.A O no hydrogen 3.360 N/A ALA 163.A N CYS 159.A O no hydrogen 2.896 N/A TRP 164.A N GLU 160.A O no hydrogen 3.079 N/A LYS 168.A NZ GLN 169.A O no hydrogen 3.133 N/A SER 170.A OG GLU 160.A OE2 no hydrogen 2.938 N/A TRP 172.A N SER 170.A OG no hydrogen 2.913 N/A LYS 173.A N SER 170.A O no hydrogen 3.333 N/A GLY 175.A N TRP 172.A O no hydrogen 2.914 N/A ARG 176.A NH1 TYR 178.A OH no hydrogen 3.031 N/A ARG 176.A NH1 ASP 259.A OD1 no hydrogen 3.467 N/A ARG 176.A NH2 ASP 259.A OD1 no hydrogen 2.941 N/A ARG 176.A NH2 GLU 262.A OE1 no hydrogen 2.847 N/A TYR 178.A OH ASP 259.A OD1 no hydrogen 2.622 N/A THR 181.A OG1 GLU 171.A OE1 no hydrogen 2.812 N/A THR 181.A OG1 GLU 171.A OE2 no hydrogen 3.089 N/A SER 183.A N THR 181.A OG1 no hydrogen 3.271 N/A SER 183.A OG GLU 171.A OE2 no hydrogen 2.652 N/A LEU 186.A N SER 183.A OG no hydrogen 3.002 N/A LYS 187.A N SER 183.A O no hydrogen 2.925 N/A ASP 188.A N PRO 184.A O no hydrogen 2.945 N/A ALA 189.A N GLU 185.A O no hydrogen 2.858 N/A ILE 190.A N LEU 186.A O no hydrogen 2.916 N/A ASP 191.A N LYS 187.A O no hydrogen 2.999 N/A CYS 192.A N ASP 188.A O no hydrogen 3.009 N/A ILE 193.A N ALA 189.A O no hydrogen 2.816 N/A PHE 194.A N ILE 190.A O no hydrogen 2.765 N/A ARG 195.A N ASP 191.A O no hydrogen 2.912 N/A ARG 195.A NE ASP 191.A OD1 no hydrogen 3.033 N/A ARG 195.A NE ASP 191.A OD2 no hydrogen 3.307 N/A ARG 195.A NH1 ASP 202.A OD1 no hydrogen 2.906 N/A ARG 195.A NH2 ASP 202.A OD1 no hydrogen 3.448 N/A GLY 196.A N CYS 192.A O no hydrogen 2.853 N/A LEU 197.A N ILE 193.A O no hydrogen 2.793 N/A ARG 198.A N ARG 195.A O no hydrogen 3.033 N/A ARG 198.A NH1 GLU 9.A OE2 no hydrogen 2.867 N/A ARG 198.A NH1 GLY 196.A O no hydrogen 2.878 N/A ARG 198.A NH2 GLU 9.A OE2 no hydrogen 3.221 N/A TYR 199.A N PHE 194.A O no hydrogen 2.800 N/A TYR 199.A OH ASP 213.A OD2 no hydrogen 2.613 N/A MET 200.A N PHE 194.A O no hydrogen 3.298 N/A ASP 201.A N GLY 204.A O no hydrogen 3.153 N/A THR 203.A N ASP 201.A OD1 no hydrogen 2.963 N/A THR 203.A OG1 ASP 201.A OD1 no hydrogen 2.567 N/A GLY 204.A N ASP 201.A O no hydrogen 3.068 N/A LYS 206.A N TYR 199.A O no hydrogen 2.741 N/A GLU 209.A N LYS 206.A O no hydrogen 2.994 N/A VAL 211.A N VAL 207.A O no hydrogen 3.033 N/A ARG 212.A N ASP 208.A O no hydrogen 2.848 N/A ARG 212.A NH1 GLU 20.A OE1 no hydrogen 3.248 N/A ARG 212.A NH2 GLU 20.A OE1 no hydrogen 2.857 N/A ARG 212.A NH2 ASP 21.A OD1 no hydrogen 3.043 N/A ASP 213.A N GLU 209.A O no hydrogen 3.128 N/A PHE 214.A N ILE 210.A O no hydrogen 3.169 N/A ASN 215.A N VAL 211.A O no hydrogen 2.891 N/A LEU 216.A N ARG 212.A O no hydrogen 2.979 N/A ILE 217.A N PHE 214.A O no hydrogen 3.260 N/A ASN 218.A N ASN 215.A O no hydrogen 2.940 N/A LYS 219.A N PHE 214.A O no hydrogen 2.854 N/A LYS 219.A NZ GLU 221.A OE2 no hydrogen 3.214 N/A GLU 221.A N GLU 221.A OE1 no hydrogen 2.732 N/A LEU 222.A N LYS 219.A O no hydrogen 2.989 N/A GLU 223.A N SER 220.A O no hydrogen 3.077 N/A VAL 226.A N LEU 222.A O no hydrogen 2.899 N/A ARG 227.A N GLU 223.A O no hydrogen 2.908 N/A ARG 227.A NE GLU 223.A OE2 no hydrogen 2.790 N/A ARG 227.A NH1 ASP 208.A OD1 no hydrogen 3.073 N/A ARG 227.A NH2 ASP 208.A OD1 no hydrogen 2.780 N/A ARG 227.A NH2 GLU 223.A OE2 no hydrogen 2.911 N/A SER 228.A N PRO 224.A O no hydrogen 2.913 N/A VAL 229.A N GLU 225.A O no hydrogen 2.928 N/A LEU 230.A N VAL 226.A O no hydrogen 3.085 N/A ALA 231.A N ARG 227.A O no hydrogen 2.843 N/A SER 232.A N SER 228.A O no hydrogen 3.121 N/A SER 232.A OG SER 228.A O no hydrogen 3.068 N/A CYS 233.A N LEU 230.A O no hydrogen 3.304 N/A CYS 233.A SG LYS 234.A O no hydrogen 3.838 N/A CYS 233.A SG ASP 240.A O no hydrogen 3.209 N/A GLU 237.A N ASP 240.A OD2 no hydrogen 2.909 N/A TYR 241.A N GLU 237.A O no hydrogen 3.339 N/A TYR 242.A N ALA 238.A O no hydrogen 3.023 N/A VAL 243.A N TYR 239.A O no hydrogen 2.843 N/A CYS 244.A N ASP 240.A O no hydrogen 3.012 N/A CYS 244.A SG ASP 240.A O no hydrogen 3.375 N/A LEU 245.A N TYR 241.A O no hydrogen 2.905 N/A VAL 246.A N TYR 242.A O no hydrogen 2.883 N/A ASN 247.A N VAL 243.A O no hydrogen 2.877 N/A SER 248.A N LEU 245.A O no hydrogen 3.242 N/A SER 248.A OG LEU 245.A O no hydrogen 2.786 N/A LEU 250.A N SER 248.A OG no hydrogen 2.912 N/A LYS 251.A N SER 248.A O no hydrogen 3.079 N/A GLN 252.A NE2 ASN 256.A OD1 no hydrogen 3.055 N/A PHE 254.A N LEU 250.A O no hydrogen 2.838 N/A LYS 255.A N LYS 251.A O no hydrogen 2.888 N/A ASN 256.A N GLN 252.A O no hydrogen 2.925 N/A ALA 257.A N HIS 253.A O no hydrogen 2.823 N/A PHE 258.A N PHE 254.A O no hydrogen 2.827 N/A ASP 259.A N LYS 255.A O no hydrogen 2.853 N/A PHE 260.A N ASN 256.A O no hydrogen 2.923 N/A HIS 261.A N ALA 257.A O no hydrogen 2.931 N/A HIS 261.A ND1 ASP 213.A OD2 no hydrogen 2.766 N/A GLU 262.A N PHE 258.A O no hydrogen 2.862 N/A LEU 263.A N ASP 259.A O no hydrogen 3.328 N/A ARG 264.A N PHE 260.A O no hydrogen 2.998 N/A ARG 264.A NH2 ASP 213.A OD1 no hydrogen 2.579 N/A SER 265.A N HIS 261.A O no hydrogen 2.769 N/A SER 265.A N GLU 262.A O no hydrogen 3.122 N/A SER 265.A OG HIS 261.A O no hydrogen 3.379 N/A SER 265.A OG GLU 262.A O no hydrogen 2.841 N/A ALA 266.A N GLU 262.A O no hydrogen 3.193 N/A ALA 266.A N LEU 263.A O no hydrogen 3.079 N/A ASP 267.A N LEU 263.A O no hydrogen 3.039 N/A TYR 268.A OH GLU 9.A OE2 no hydrogen 2.502 N/A ALA 269.A N ASP 267.A OD1 no hydrogen 3.087 N/A TYR 270.A N ASP 267.A O no hydrogen 2.950 N/A ARG 273.A N ALA 269.A O no hydrogen 3.017 N/A ARG 273.A N TYR 270.A O no hydrogen 3.359 N/A ARG 273.A NH1 ASP 267.A OD2 no hydrogen 2.698 N/A GLY 274.A N LEU 271.A O no hydrogen 3.145 N/A LYS 282.A N ASN 279.A OD1 no hydrogen 2.693 N/A LYS 282.A NZ GLU 278.A OE2 no hydrogen 3.503 N/A LYS 282.A NZ GLU 286.A OE2 no hydrogen 3.407 N/A VAL 283.A N ASN 279.A O no hydrogen 3.211 N/A LYS 284.A N PRO 280.A O no hydrogen 3.109 N/A GLU 285.A N GLU 281.A O no hydrogen 3.016 N/A GLU 286.A N LYS 282.A O no hydrogen 2.928 N/A MET 287.A N VAL 283.A O no hydrogen 2.829 N/A LYS 288.A N LYS 284.A O no hydrogen 2.975 N/A LYS 289.A N GLU 285.A O no hydrogen 3.060 N/A LYS 289.A NZ GLU 286.A OE2 no hydrogen 3.492 N/A LEU 290.A N GLU 286.A O no hydrogen 3.253 N/A LEU 290.A N MET 287.A O no hydrogen 3.160 N/A ASN 291.A N LYS 288.A O no hydrogen 3.078 N/A THR 292.A OG1 LYS 289.A O no hydrogen 2.663 N/A HIS 295.A N THR 292.A OG1 no hydrogen 3.130 N/A HIS 295.A ND1 LEU 290.A O no hydrogen 2.730 N/A