Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e2k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ALA 1.A O no hydrogen 2.980 N/A LYS 6.A N GLU 2.A O no hydrogen 2.930 N/A LYS 6.A NZ ASP 10.A OD1 no hydrogen 3.201 N/A LEU 7.A N PRO 3.A O no hydrogen 3.018 N/A GLU 8.A N PHE 4.A O no hydrogen 2.995 N/A GLN 9.A N ALA 5.A O no hydrogen 3.156 N/A ASP 10.A N LYS 6.A O no hydrogen 2.962 N/A PHE 11.A N LEU 7.A O no hydrogen 3.036 N/A GLY 12.A N GLU 8.A O no hydrogen 2.761 N/A GLY 13.A N GLU 8.A O no hydrogen 3.132 N/A SER 14.A N ARG 235.A O no hydrogen 2.721 N/A ILE 15.A N GLU 8.A OE1 no hydrogen 2.974 N/A GLY 16.A N TYR 233.A O no hydrogen 2.825 N/A VAL 17.A N TYR 30.A O no hydrogen 2.811 N/A TYR 18.A N ALA 231.A O no hydrogen 3.097 N/A ALA 19.A N VAL 28.A O no hydrogen 3.009 N/A MET 20.A N VAL 229.A O no hydrogen 2.859 N/A ASP 21.A N ALA 26.A O no hydrogen 2.916 N/A THR 22.A N PRO 227.A O no hydrogen 3.067 N/A THR 22.A OG1 PRO 227.A O no hydrogen 2.701 N/A GLY 23.A N ASP 21.A OD1 no hydrogen 2.731 N/A GLY 25.A N ASP 21.A O no hydrogen 2.871 N/A ALA 26.A N SER 24.A OG no hydrogen 3.307 N/A VAL 28.A N ALA 19.A O no hydrogen 2.906 N/A TYR 30.A N VAL 17.A O no hydrogen 2.920 N/A TYR 30.A OH GLU 8.A OE2 no hydrogen 2.540 N/A ARG 31.A NE GLU 8.A OE1 no hydrogen 2.978 N/A ARG 31.A NE GLU 8.A OE2 no hydrogen 3.334 N/A ARG 31.A NH1 GLU 34.A OE2 no hydrogen 3.066 N/A ARG 31.A NH2 GLU 8.A OE2 no hydrogen 2.820 N/A GLU 34.A N ARG 31.A O no hydrogen 3.229 N/A ARG 35.A NH1 THR 129.A O no hydrogen 2.997 N/A ARG 35.A NH1 THR 150.A OG1 no hydrogen 2.762 N/A ARG 35.A NH2 THR 129.A O no hydrogen 3.105 N/A PHE 36.A N SER 151.A O no hydrogen 2.852 N/A LEU 38.A N ASP 149.A O no hydrogen 2.959 N/A CYS 39.A SG PRO 37.A O no hydrogen 3.890 N/A SER 40.A OG SER 100.A OG no hydrogen 3.237 N/A SER 41.A N LEU 38.A O no hydrogen 2.974 N/A SER 41.A OG LEU 38.A O no hydrogen 2.814 N/A SER 41.A OG TYR 233.A OH no hydrogen 2.785 N/A PHE 42.A N CYS 39.A O no hydrogen 3.410 N/A LYS 43.A N SER 40.A O no hydrogen 2.994 N/A LYS 43.A NZ SER 40.A OG no hydrogen 2.734 N/A LYS 43.A NZ SER 100.A O no hydrogen 2.994 N/A LYS 43.A NZ ASN 102.A OD1 no hydrogen 2.701 N/A GLY 44.A N SER 41.A O no hydrogen 3.344 N/A LEU 46.A N PHE 42.A O no hydrogen 2.869 N/A ALA 47.A N LYS 43.A O no hydrogen 2.996 N/A ALA 48.A N GLY 44.A O no hydrogen 3.168 N/A ALA 49.A N PHE 45.A O no hydrogen 2.922 N/A VAL 50.A N LEU 46.A O no hydrogen 3.028 N/A LEU 51.A N ALA 47.A O no hydrogen 2.970 N/A ALA 52.A N ALA 48.A O no hydrogen 2.812 N/A ARG 53.A N ALA 49.A O no hydrogen 2.963 N/A ARG 53.A NE GLN 57.A OE1 no hydrogen 2.831 N/A SER 54.A N VAL 50.A O no hydrogen 2.962 N/A SER 54.A OG LEU 51.A O no hydrogen 2.596 N/A GLN 55.A N ALA 52.A O no hydrogen 3.106 N/A GLN 56.A N ARG 53.A O no hydrogen 2.880 N/A GLN 57.A N ARG 53.A O no hydrogen 2.860 N/A LEU 60.A N GLN 57.A O no hydrogen 3.192 N/A ASP 62.A N GLY 59.A O no hydrogen 3.215 N/A THR 63.A N LEU 60.A O no hydrogen 3.158 N/A THR 63.A OG1 GLY 59.A O no hydrogen 3.103 N/A THR 63.A OG1 LEU 60.A O no hydrogen 2.885 N/A ILE 65.A N MET 87.A O no hydrogen 2.633 N/A TYR 67.A OH SER 79.A O no hydrogen 2.673 N/A ALA 71.A N GLY 68.A O no hydrogen 2.911 N/A LEU 72.A N LYS 69.A O no hydrogen 3.072 N/A SER 76.A N GLU 80.A OE2.B no hydrogen 3.256 N/A SER 76.A OG VAL 73.A O no hydrogen 2.770 N/A ILE 78.A N ASP 101.A OD2 no hydrogen 2.843 N/A SER 79.A N ASP 101.A OD2 no hydrogen 2.916 N/A SER 79.A OG ASP 101.A OD1 no hydrogen 2.626 N/A SER 79.A OG ASP 101.A OD2 no hydrogen 3.161 N/A GLU 80.A N SER 76.A O no hydrogen 3.186 N/A LYS 81.A N ILE 78.A O no hydrogen 2.940 N/A TYR 82.A N ILE 78.A O no hydrogen 3.246 N/A THR 85.A N TYR 82.A O no hydrogen 2.990 N/A THR 85.A OG1 TYR 82.A O no hydrogen 3.422 N/A THR 85.A OG1 GLY 86.A O no hydrogen 3.408 N/A GLY 86.A N TYR 82.A O no hydrogen 2.694 N/A MET 87.A N ILE 65.A O no hydrogen 3.022 N/A THR 88.A N GLU 91.A OE1 no hydrogen 2.942 N/A VAL 89.A N THR 63.A O no hydrogen 3.062 N/A ALA 90.A N LEU 61.A O no hydrogen 2.947 N/A GLU 91.A N THR 88.A OG1 no hydrogen 3.111 N/A LEU 92.A N THR 88.A O no hydrogen 2.854 N/A SER 93.A N VAL 89.A O no hydrogen 2.932 N/A SER 93.A OG VAL 89.A O no hydrogen 2.909 N/A ALA 94.A N ALA 90.A O no hydrogen 2.968 N/A ALA 95.A N GLU 91.A O no hydrogen 3.021 N/A ALA 96.A N LEU 92.A O no hydrogen 2.942 N/A VAL 97.A N SER 93.A O no hydrogen 3.019 N/A GLN 98.A N ALA 94.A O no hydrogen 2.810 N/A GLN 98.A NE2 TRP 180.A O no hydrogen 3.049 N/A TYR 99.A N ALA 95.A O no hydrogen 2.979 N/A ASP 101.A N ALA 95.A O no hydrogen 3.202 N/A ASN 102.A N TRP 75.A O no hydrogen 2.994 N/A ASN 102.A ND2 PRO 74.A O no hydrogen 2.988 N/A ALA 103.A N SER 76.A OG no hydrogen 2.858 N/A ALA 104.A N ASP 101.A OD1 no hydrogen 2.874 N/A ALA 105.A N ASP 101.A O no hydrogen 3.109 N/A ASN 106.A N ASN 102.A O no hydrogen 3.088 N/A ASN 106.A ND2 GLU 136.A O no hydrogen 2.946 N/A LEU 107.A N ALA 103.A O no hydrogen 2.982 N/A LEU 108.A N ALA 104.A O no hydrogen 2.993 N/A LEU 109.A N ALA 105.A O no hydrogen 2.871 N/A LYS 110.A N ASN 106.A O no hydrogen 3.087 N/A GLU 111.A N LEU 107.A O no hydrogen 3.326 N/A LEU 112.A N LEU 108.A O no hydrogen 3.150 N/A LEU 112.A N LEU 109.A O no hydrogen 2.943 N/A GLY 113.A N LYS 110.A O no hydrogen 3.301 N/A GLY 114.A N LEU 109.A O no hydrogen 2.664 N/A LEU 118.A N GLY 114.A O no hydrogen 3.219 N/A THR 119.A N PRO 115.A O no hydrogen 2.987 N/A THR 119.A OG1 PRO 115.A O no hydrogen 3.040 N/A THR 119.A OG1 LEU 132.A O no hydrogen 3.155 N/A ALA 120.A N ALA 116.A O no hydrogen 2.885 N/A PHE 121.A N GLY 117.A O no hydrogen 3.076 N/A MET 122.A N LEU 118.A O no hydrogen 2.990 N/A ARG 123.A N THR 119.A O no hydrogen 2.907 N/A ARG 123.A NH1 ASP 127.A O no hydrogen 2.890 N/A ARG 123.A NH1 PHE 130.A O no hydrogen 2.712 N/A ARG 123.A NH2 PHE 130.A O no hydrogen 2.891 N/A SER 124.A N ALA 120.A O no hydrogen 3.012 N/A SER 124.A OG PHE 121.A O no hydrogen 2.559 N/A ILE 125.A N PHE 121.A O no hydrogen 3.301 N/A ILE 125.A N MET 122.A O no hydrogen 3.293 N/A GLY 126.A N ARG 123.A O no hydrogen 3.022 N/A ASP 127.A N MET 122.A O no hydrogen 2.973 N/A THR 129.A N ASP 127.A OD1 no hydrogen 3.017 N/A PHE 130.A N ASP 127.A OD1 no hydrogen 2.988 N/A ARG 131.A N THR 150.A O no hydrogen 2.973 N/A ARG 131.A NE ASP 133.A OD1 no hydrogen 3.283 N/A ARG 131.A NE ASP 133.A OD2 no hydrogen 3.086 N/A ARG 131.A NH2 ASP 133.A OD1 no hydrogen 2.567 N/A LEU 132.A N THR 119.A OG1 no hydrogen 3.086 N/A ASP 133.A N ASP 149.A OD1 no hydrogen 2.633 N/A ARG 134.A N ASP 149.A OD1 no hydrogen 3.035 N/A ARG 134.A NE ASP 149.A OD2 no hydrogen 2.683 N/A ARG 134.A NH1 SER 141.A OG no hydrogen 2.958 N/A ARG 134.A NH2 SER 141.A OG no hydrogen 2.950 N/A ARG 134.A NH2 ASP 149.A OD2 no hydrogen 2.675 N/A GLU 136.A N ASN 106.A OD1 no hydrogen 3.101 N/A LEU 139.A N TRP 135.A O no hydrogen 3.033 N/A ASN 140.A N LEU 137.A O no hydrogen 3.117 N/A ASN 140.A ND2 GLU 136.A OE1 no hydrogen 2.808 N/A ASN 140.A ND2 LEU 137.A O no hydrogen 3.012 N/A ASP 146.A N ILE 143.A O no hydrogen 2.922 N/A ARG 148.A N ASP 146.A OD1 no hydrogen 3.121 N/A ARG 148.A NE ASP 146.A OD1 no hydrogen 3.142 N/A ARG 148.A NE ASP 146.A OD2 no hydrogen 3.115 N/A ARG 148.A NH2 ASP 146.A OD2 no hydrogen 2.764 N/A ASP 149.A N ASP 133.A OD2 no hydrogen 2.801 N/A THR 150.A OG1 ALA 147.A O no hydrogen 2.606 N/A SER 151.A N PHE 36.A O no hydrogen 3.170 N/A SER 152.A OG ALA 32.A O no hydrogen 3.500 N/A ARG 154.A N ALA 32.A O no hydrogen 2.982 N/A ARG 154.A NE GLU 158.A OE2 no hydrogen 2.968 N/A ALA 155.A N SER 152.A OG no hydrogen 3.264 N/A VAL 156.A N SER 152.A O no hydrogen 2.944 N/A THR 157.A N PRO 153.A O no hydrogen 3.000 N/A THR 157.A OG1 TYR 18.A O no hydrogen 3.061 N/A THR 157.A OG1 PRO 153.A O no hydrogen 3.163 N/A GLU 158.A N ARG 154.A O no hydrogen 2.811 N/A SER 159.A N ALA 155.A O no hydrogen 2.920 N/A SER 159.A OG ASP 127.A OD2 no hydrogen 2.731 N/A SER 159.A OG ALA 155.A O no hydrogen 3.137 N/A LEU 160.A N VAL 156.A O no hydrogen 2.855 N/A GLN 161.A N THR 157.A O no hydrogen 2.914 N/A LYS 162.A N GLU 158.A O no hydrogen 3.157 N/A LYS 162.A NZ ILE 125.A O no hydrogen 2.940 N/A LEU 163.A N SER 159.A O no hydrogen 3.007 N/A THR 164.A N LEU 160.A O no hydrogen 2.973 N/A THR 164.A OG1 LEU 160.A O no hydrogen 2.837 N/A LEU 165.A N GLN 161.A O no hydrogen 2.890 N/A GLY 166.A N GLN 161.A O no hydrogen 2.990 N/A ALA 168.A N LYS 162.A O no hydrogen 3.304 N/A ALA 170.A N GLN 55.A OE1 no hydrogen 2.870 N/A GLN 173.A N GLN 173.A OE1 no hydrogen 2.849 N/A ARG 174.A N ALA 170.A O no hydrogen 2.751 N/A ARG 174.A NH1 GLY 166.A O no hydrogen 2.847 N/A GLN 175.A N ALA 171.A O no hydrogen 3.001 N/A GLN 175.A NE2 GLN 175.A O no hydrogen 3.308 N/A GLN 175.A NE2 ASP 179.A OD1 no hydrogen 2.895 N/A GLN 176.A N PRO 172.A O no hydrogen 3.110 N/A GLN 176.A NE2 GLN 176.A O no hydrogen 2.880 N/A PHE 177.A N GLN 173.A O no hydrogen 2.940 N/A VAL 178.A N ARG 174.A O no hydrogen 2.964 N/A ASP 179.A N GLN 175.A O no hydrogen 2.825 N/A TRP 180.A N GLN 176.A O no hydrogen 2.885 N/A LEU 181.A N PHE 177.A O no hydrogen 2.997 N/A LYS 182.A N VAL 178.A O no hydrogen 2.883 N/A GLY 183.A N ASP 179.A O no hydrogen 3.131 N/A GLY 183.A N TRP 180.A O no hydrogen 3.105 N/A ASN 184.A N LEU 181.A O no hydrogen 3.131 N/A ASN 184.A ND2 THR 186.A OG1 no hydrogen 3.137 N/A ASN 184.A ND2 ASP 203.A OD1 no hydrogen 2.790 N/A THR 185.A N GLN 98.A O no hydrogen 3.133 N/A THR 185.A OG1 GLN 98.A O no hydrogen 2.923 N/A THR 186.A OG1 ASN 184.A OD1 no hydrogen 3.130 N/A THR 186.A OG1 THR 205.A OG1 no hydrogen 2.609 N/A ARG 190.A N GLY 187.A O no hydrogen 3.344 N/A ARG 190.A NE GLU 245.A OE1 no hydrogen 2.863 N/A ARG 190.A NH1 GLY 206.A O no hydrogen 2.984 N/A ARG 190.A NH1 THR 207.A OG1 no hydrogen 3.129 N/A ARG 190.A NH1 ASN 215.A O no hydrogen 2.946 N/A ARG 190.A NH2 THR 207.A OG1 no hydrogen 2.718 N/A ARG 190.A NH2 GLU 245.A OE1 no hydrogen 3.389 N/A ILE 191.A N ASP 216.A OD2 no hydrogen 3.089 N/A ARG 192.A NE ASP 203.A OD1 no hydrogen 2.831 N/A ARG 192.A NH2 LYS 182.A O no hydrogen 3.337 N/A ARG 192.A NH2 ASP 203.A OD1 no hydrogen 2.977 N/A ALA 193.A N ARG 190.A O no hydrogen 2.928 N/A ALA 194.A N ILE 191.A O no hydrogen 2.966 N/A VAL 195.A N ARG 192.A O no hydrogen 3.491 N/A TRP 199.A N PRO 196.A O no hydrogen 3.111 N/A GLY 202.A N VAL 219.A O no hydrogen 2.934 N/A ASP 203.A N LEU 181.A O no hydrogen 3.194 N/A LYS 204.A N TYR 217.A O no hydrogen 3.093 N/A LYS 204.A NZ SER 100.A OG no hydrogen 2.737 N/A LYS 204.A NZ THR 205.A O no hydrogen 2.928 N/A THR 205.A OG1 THR 186.A OG1 no hydrogen 2.609 N/A GLY 206.A N ASN 215.A O no hydrogen 2.985 N/A CYS 208.A N THR 213.A O no hydrogen 3.091 N/A GLY 209.A N THR 213.A O no hydrogen 3.356 N/A TYR 211.A N LYS 239.A O no hydrogen 2.942 N/A GLY 212.A N ASP 241.A O no hydrogen 2.939 N/A THR 213.A N VAL 210.A O no hydrogen 3.144 N/A THR 213.A OG1 VAL 210.A O no hydrogen 3.391 N/A THR 213.A OG1 TYR 211.A O no hydrogen 2.939 N/A ALA 214.A N THR 234.A OG1 no hydrogen 3.263 N/A ASN 215.A N GLY 206.A O no hydrogen 2.774 N/A ASN 215.A ND2 LEU 38.A O no hydrogen 3.180 N/A ASP 216.A N VAL 232.A O no hydrogen 3.039 N/A TYR 217.A N LYS 204.A O no hydrogen 3.087 N/A TYR 217.A OH SER 41.A O no hydrogen 2.763 N/A ALA 218.A N LEU 230.A O no hydrogen 2.881 N/A VAL 219.A N GLY 202.A O no hydrogen 2.865 N/A VAL 220.A N ILE 228.A O no hydrogen 2.773 N/A TRP 221.A N ALA 200.A O no hydrogen 2.866 N/A ARG 225.A N PRO 222.A O no hydrogen 2.786 N/A ARG 225.A NH1 GLY 260.A O no hydrogen 3.368 N/A ARG 225.A NH2 ASP 21.A OD2 no hydrogen 2.791 N/A ARG 225.A NH2 LEU 259.A O no hydrogen 3.214 N/A ILE 228.A N VAL 220.A O no hydrogen 2.821 N/A VAL 229.A N MET 20.A O no hydrogen 3.010 N/A LEU 230.A N ALA 218.A O no hydrogen 2.981 N/A ALA 231.A N TYR 18.A O no hydrogen 2.879 N/A VAL 232.A N ASP 216.A O no hydrogen 2.866 N/A TYR 233.A N GLY 16.A O no hydrogen 2.818 N/A TYR 233.A OH SER 41.A OG no hydrogen 2.785 N/A THR 234.A N ALA 214.A O no hydrogen 2.831 N/A THR 234.A OG1 GLY 212.A O no hydrogen 3.048 N/A THR 234.A OG1 ALA 214.A O no hydrogen 3.185 N/A ARG 235.A N SER 14.A O no hydrogen 2.997 N/A ARG 235.A NH1 GLU 34.A OE1 no hydrogen 3.046 N/A ARG 235.A NH1 ARG 35.A O no hydrogen 3.049 N/A ARG 235.A NH2 GLU 34.A OE1 no hydrogen 3.151 N/A ALA 236.A N TYR 211.A O no hydrogen 2.876 N/A ASN 238.A N ASP 241.A OD2 no hydrogen 2.989 N/A ASP 241.A N ASN 238.A O no hydrogen 2.902 N/A VAL 247.A N SER 244.A OG no hydrogen 3.267 N/A ILE 248.A N SER 244.A O no hydrogen 3.370 N/A ALA 249.A N GLU 245.A O no hydrogen 2.996 N/A ALA 250.A N ALA 246.A O no hydrogen 2.888 N/A ALA 251.A N VAL 247.A O no hydrogen 2.872 N/A ALA 252.A N ILE 248.A O no hydrogen 2.910 N/A ARG 253.A N ALA 249.A O no hydrogen 2.947 N/A LEU 254.A N ALA 250.A O no hydrogen 3.075 N/A ALA 255.A N ALA 251.A O no hydrogen 2.943 N/A LEU 256.A N ALA 252.A O no hydrogen 2.899 N/A GLU 257.A N ARG 253.A O no hydrogen 2.812 N/A GLY 258.A N LEU 254.A O no hydrogen 2.912 N/A LEU 259.A N ALA 255.A O no hydrogen 3.180 N/A LEU 259.A N LEU 256.A O no hydrogen 3.055 N/A GLY 260.A N GLU 257.A O no hydrogen 2.866 N/A VAL 261.A N LEU 256.A O no hydrogen 2.965 N/A