Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xkw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N ASN 2.A OD1 no hydrogen 2.859 N/A SER 5.A N ASN 2.A OD1 no hydrogen 3.289 N/A ALA 6.A N ASN 2.A O no hydrogen 3.015 N/A ASP 7.A N PRO 3.A O no hydrogen 3.009 N/A LEU 8.A N GLU 4.A O no hydrogen 3.177 N/A ARG 9.A N SER 5.A O no hydrogen 2.980 N/A ARG 9.A NH1 GLN 204.A OE1 no hydrogen 2.908 N/A ARG 9.A NH2 GLN 204.A OE1 no hydrogen 3.179 N/A ALA 10.A N ALA 6.A O no hydrogen 3.010 N/A LEU 11.A N ASP 7.A O no hydrogen 3.029 N/A ALA 12.A N LEU 8.A O no hydrogen 2.977 N/A LYS 13.A N ARG 9.A O no hydrogen 2.963 N/A LYS 13.A NZ LYS 13.A O no hydrogen 2.635 N/A HIS 14.A N ALA 10.A O no hydrogen 3.024 N/A HIS 14.A NE2 SER 86.A O no hydrogen 2.761 N/A LEU 15.A N LEU 11.A O no hydrogen 2.904 N/A TYR 16.A N ALA 12.A O no hydrogen 2.960 N/A ASP 17.A N LYS 13.A O no hydrogen 3.004 N/A SER 18.A N HIS 14.A O no hydrogen 3.009 N/A SER 18.A OG HIS 14.A O no hydrogen 3.015 N/A SER 18.A OG SER 86.A OG no hydrogen 3.286 N/A TYR 19.A N LEU 15.A O no hydrogen 2.900 N/A TYR 19.A OH ASP 165.A OD1 no hydrogen 2.660 N/A ILE 20.A N TYR 16.A O no hydrogen 2.988 N/A LYS 21.A N ASP 17.A O no hydrogen 3.094 N/A LYS 21.A NZ ASP 17.A OD1 no hydrogen 3.422 N/A LYS 21.A NZ ASP 17.A OD2 no hydrogen 2.594 N/A SER 22.A N SER 18.A O no hydrogen 2.854 N/A SER 22.A N TYR 19.A O no hydrogen 3.058 N/A SER 22.A OG SER 18.A O no hydrogen 2.782 N/A PHE 23.A N TYR 19.A O no hydrogen 2.952 N/A LYS 27.A N ASP 165.A OD1 no hydrogen 2.769 N/A LYS 27.A NZ LEU 163.A O no hydrogen 2.670 N/A ALA 28.A N ASP 165.A OD2 no hydrogen 2.974 N/A LYS 29.A N THR 26.A OG1 no hydrogen 3.167 N/A ALA 30.A N THR 26.A O no hydrogen 2.974 N/A ARG 31.A N LYS 27.A O no hydrogen 2.798 N/A ARG 31.A NH1 SER 116.A O no hydrogen 3.008 N/A ARG 31.A NH1 MET 118.A O no hydrogen 2.821 N/A ARG 31.A NH2 MET 118.A O no hydrogen 3.473 N/A ALA 32.A N ALA 28.A O no hydrogen 3.038 N/A ILE 33.A N LYS 29.A O no hydrogen 2.937 N/A LEU 34.A N ALA 30.A O no hydrogen 2.860 N/A THR 35.A N ARG 31.A O no hydrogen 2.870 N/A THR 35.A OG1 ARG 31.A O no hydrogen 2.671 N/A GLY 36.A N ILE 33.A O no hydrogen 3.465 N/A LYS 37.A N ALA 32.A O no hydrogen 2.941 N/A THR 39.A OG1 ASP 40.A OD2 no hydrogen 3.361 N/A PHE 44.A N GLN 129.A O no hydrogen 3.045 N/A ILE 46.A N PHE 131.A O no hydrogen 2.738 N/A TYR 47.A N SER 51.A OG no hydrogen 2.941 N/A ASP 48.A N SER 51.A OG no hydrogen 2.885 N/A SER 51.A N ASP 48.A OD1 no hydrogen 2.750 N/A SER 51.A OG ASP 48.A O no hydrogen 3.018 N/A SER 51.A OG ASP 48.A OD1 no hydrogen 2.528 N/A LEU 52.A N ASP 48.A O no hydrogen 2.901 N/A MET 53.A N MET 49.A O no hydrogen 2.911 N/A MET 54.A N ASN 50.A O no hydrogen 2.849 N/A GLY 55.A N SER 51.A O no hydrogen 2.698 N/A GLU 56.A N LEU 52.A O no hydrogen 3.072 N/A ASP 57.A N MET 54.A O no hydrogen 2.981 N/A LYS 58.A N GLY 55.A O no hydrogen 2.591 N/A ALA 62.A N GLU 60.A OE1 no hydrogen 3.256 N/A ARG 64.A N GLU 60.A O no hydrogen 2.872 N/A ILE 65.A N VAL 61.A O no hydrogen 2.878 N/A PHE 66.A N ALA 62.A O no hydrogen 2.938 N/A GLN 67.A N ILE 63.A O no hydrogen 2.903 N/A GLN 67.A NE2 SER 248.A O no hydrogen 3.101 N/A GLY 68.A N ARG 64.A O no hydrogen 2.941 N/A CYS 69.A N ILE 65.A O no hydrogen 3.024 N/A CYS 69.A SG.B ILE 65.A O no hydrogen 3.585 N/A GLN 70.A N PHE 66.A O no hydrogen 3.009 N/A GLN 70.A NE2 SER 248.A O no hydrogen 3.037 N/A PHE 71.A N GLN 67.A O no hydrogen 2.909 N/A ARG 72.A N GLY 68.A O no hydrogen 3.009 N/A ARG 72.A NH1 ARG 72.A O no hydrogen 3.027 N/A ARG 72.A NH1 GLU 79.A OE1 no hydrogen 3.403 N/A ARG 72.A NH2 GLU 79.A OE1 no hydrogen 3.542 N/A SER 73.A N CYS 69.A O no hydrogen 2.909 N/A SER 73.A OG CYS 69.A O no hydrogen 2.846 N/A VAL 74.A N GLN 70.A O no hydrogen 2.926 N/A GLU 75.A N PHE 71.A O no hydrogen 3.099 N/A ALA 76.A N ARG 72.A O no hydrogen 2.913 N/A VAL 77.A N SER 73.A O no hydrogen 2.899 N/A GLN 78.A N VAL 74.A O no hydrogen 3.111 N/A GLU 79.A N GLU 75.A O no hydrogen 2.976 N/A ILE 80.A N ALA 76.A O no hydrogen 2.887 N/A THR 81.A N VAL 77.A O no hydrogen 3.005 N/A THR 81.A OG1 VAL 77.A O no hydrogen 2.786 N/A GLU 82.A N GLN 78.A O no hydrogen 3.182 N/A TYR 83.A N GLU 79.A O no hydrogen 2.976 N/A TYR 83.A OH ALA 169.A O no hydrogen 2.540 N/A ALA 84.A N ILE 80.A O no hydrogen 2.811 N/A LYS 85.A N THR 81.A O no hydrogen 3.246 N/A SER 86.A N TYR 83.A O no hydrogen 2.933 N/A SER 86.A OG TYR 83.A O no hydrogen 2.624 N/A ILE 87.A N ALA 84.A O no hydrogen 2.936 N/A PHE 90.A N ILE 87.A O no hydrogen 2.924 N/A ASN 92.A N GLY 89.A O no hydrogen 3.210 N/A LEU 93.A N PHE 90.A O no hydrogen 3.074 N/A ASN 96.A ND2 ASP 94.A OD1 no hydrogen 3.146 N/A ASP 97.A N ASP 94.A OD1 no hydrogen 3.205 N/A GLN 98.A N ASP 94.A O no hydrogen 3.013 N/A GLN 98.A NE2 VAL 91.A O no hydrogen 3.086 N/A GLN 98.A NE2 LEU 93.A O no hydrogen 2.839 N/A VAL 99.A N LEU 95.A O no hydrogen 3.093 N/A THR 100.A N ASN 96.A O no hydrogen 2.995 N/A THR 100.A OG1 ASN 96.A O no hydrogen 3.120 N/A LEU 101.A N ASP 97.A O no hydrogen 2.904 N/A LEU 102.A N GLN 98.A O no hydrogen 3.081 N/A LYS 103.A N VAL 99.A O no hydrogen 2.834 N/A LYS 103.A NZ GLU 255.A O no hydrogen 3.522 N/A LYS 103.A NZ ILE 256.A O no hydrogen 2.716 N/A LYS 103.A NZ LYS 258.A O no hydrogen 2.524 N/A TYR 104.A N THR 100.A O no hydrogen 3.125 N/A TYR 104.A OH LEU 260.A O no hydrogen 2.732 N/A GLY 105.A N LEU 101.A O no hydrogen 2.924 N/A GLY 105.A N LEU 102.A O no hydrogen 3.209 N/A VAL 106.A N.A LEU 102.A O no hydrogen 2.938 N/A VAL 106.A N.B LEU 102.A O no hydrogen 2.933 N/A ILE 109.A N GLY 105.A O no hydrogen 3.088 N/A ILE 110.A N VAL 106.A O.A no hydrogen 2.804 N/A ILE 110.A N VAL 106.A O.B no hydrogen 2.952 N/A TYR 111.A N HIS 107.A O no hydrogen 3.130 N/A THR 112.A N GLU 108.A O no hydrogen 3.217 N/A THR 112.A OG1 GLU 108.A O no hydrogen 2.866 N/A MET 113.A N ILE 109.A O no hydrogen 2.995 N/A LEU 114.A N ILE 110.A O no hydrogen 2.760 N/A ALA 115.A N TYR 111.A O no hydrogen 3.201 N/A SER 116.A N MET 113.A O no hydrogen 3.088 N/A LEU 117.A N LEU 114.A O no hydrogen 2.875 N/A MET 118.A N ALA 115.A O no hydrogen 2.989 N/A ASN 119.A N GLY 122.A O no hydrogen 3.094 N/A LYS 120.A NZ ASP 121.A OD1 no hydrogen 2.951 N/A LYS 120.A NZ ASP 121.A OD2 no hydrogen 3.454 N/A ASP 121.A N ASN 119.A OD1 no hydrogen 2.811 N/A GLY 122.A N ASN 119.A O no hydrogen 3.412 N/A GLY 122.A N ASN 119.A OD1 no hydrogen 3.080 N/A VAL 123.A N MET 132.A O no hydrogen 2.913 N/A LEU 124.A N LEU 117.A O no hydrogen 2.994 N/A ILE 125.A N GLY 130.A O no hydrogen 2.844 N/A GLN 129.A N SER 126.A O no hydrogen 3.106 N/A GLN 129.A NE2 SER 126.A O no hydrogen 3.111 N/A GLN 129.A NE2 SER 126.A OG no hydrogen 2.750 N/A GLY 130.A N ILE 125.A O no hydrogen 3.088 N/A PHE 131.A N PHE 44.A O no hydrogen 2.941 N/A MET 132.A N VAL 123.A O no hydrogen 2.835 N/A THR 133.A N ILE 46.A O no hydrogen 3.037 N/A ARG 134.A N ASP 121.A O no hydrogen 2.760 N/A ARG 134.A NE GLU 149.A OE1 no hydrogen 3.476 N/A ARG 134.A NE GLU 149.A OE2 no hydrogen 2.834 N/A ARG 134.A NH1 LYS 120.A O no hydrogen 3.115 N/A ARG 134.A NH2 GLU 149.A OE1 no hydrogen 3.129 N/A PHE 136.A N THR 133.A OG1 no hydrogen 3.162 N/A LEU 137.A N THR 133.A O no hydrogen 3.188 N/A LYS 138.A N ARG 134.A O no hydrogen 2.967 N/A LYS 138.A NZ GLU 135.A OE1 no hydrogen 3.337 N/A SER 139.A N GLU 135.A O no hydrogen 3.046 N/A SER 139.A N PHE 136.A O no hydrogen 3.108 N/A SER 139.A OG PHE 136.A O no hydrogen 2.703 N/A LEU 140.A N LEU 137.A O no hydrogen 3.477 N/A ARG 141.A NH1 GLU 244.A OE2 no hydrogen 2.767 N/A ARG 141.A NH2 GLU 60.A OE2 no hydrogen 3.260 N/A PHE 144.A N ARG 141.A O no hydrogen 2.840 N/A GLY 145.A N ARG 141.A O no hydrogen 3.129 N/A PHE 147.A N PHE 144.A O no hydrogen 3.228 N/A LYS 151.A N MET 148.A O no hydrogen 2.990 N/A LYS 151.A NZ PHE 147.A O no hydrogen 2.707 N/A LYS 151.A NZ HIS 233.A ND1 no hydrogen 3.397 N/A PHE 152.A N MET 148.A O no hydrogen 3.108 N/A GLU 153.A N GLU 149.A O no hydrogen 2.950 N/A PHE 154.A N PRO 150.A O no hydrogen 3.052 N/A ALA 155.A N LYS 151.A O no hydrogen 2.928 N/A VAL 156.A N PHE 152.A O no hydrogen 3.081 N/A LYS 157.A NZ ASP 225.A OD2 no hydrogen 2.751 N/A PHE 158.A N PHE 154.A O no hydrogen 2.786 N/A ASN 159.A N ALA 155.A O no hydrogen 2.806 N/A ASN 159.A ND2 ALA 115.A O no hydrogen 3.030 N/A ALA 160.A N LYS 157.A O no hydrogen 3.180 N/A LEU 161.A N PHE 158.A O no hydrogen 3.021 N/A GLU 162.A N ASN 159.A O no hydrogen 3.078 N/A ASP 164.A N ASP 167.A OD2 no hydrogen 2.951 N/A SER 166.A OG ASP 164.A OD1 no hydrogen 2.481 N/A ASP 167.A N ASP 164.A OD1 no hydrogen 3.235 N/A LEU 168.A N ASP 164.A O no hydrogen 2.945 N/A ALA 169.A N ASP 165.A O no hydrogen 2.895 N/A PHE 171.A N ASP 167.A O no hydrogen 3.070 N/A ILE 172.A N LEU 168.A O no hydrogen 2.880 N/A ALA 173.A N ALA 169.A O no hydrogen 3.399 N/A VAL 174.A N ILE 170.A O no hydrogen 2.947 N/A ILE 175.A N PHE 171.A O no hydrogen 3.020 N/A ILE 176.A N ILE 172.A O no hydrogen 3.132 N/A LEU 177.A N ALA 173.A O no hydrogen 3.121 N/A SER 178.A OG ILE 175.A O no hydrogen 2.528 N/A ARG 181.A NH1 GLU 108.A OE1 no hydrogen 3.483 N/A ARG 181.A NH1 GLU 108.A OE2 no hydrogen 3.094 N/A ARG 181.A NH2 GLU 108.A OE1 no hydrogen 2.894 N/A ARG 181.A NH2 ILE 175.A O no hydrogen 3.291 N/A LEU 185.A N ASP 97.A OD1 no hydrogen 2.834 N/A ASN 186.A N ASP 97.A OD2 no hydrogen 3.006 N/A LYS 188.A NZ ASP 192.A OD1 no hydrogen 3.476 N/A LYS 188.A NZ ASP 192.A OD2 no hydrogen 3.076 N/A GLU 191.A N VAL 187.A O no hydrogen 3.055 N/A ASP 192.A N LYS 188.A O no hydrogen 2.940 N/A ILE 193.A N PRO 189.A O no hydrogen 3.194 N/A GLN 194.A N ILE 190.A O no hydrogen 2.826 N/A GLN 194.A NE2 VAL 174.A O no hydrogen 2.886 N/A ASP 195.A N GLU 191.A O no hydrogen 2.850 N/A ASN 196.A N ASP 192.A O no hydrogen 3.351 N/A LEU 197.A N ILE 193.A O no hydrogen 3.048 N/A LEU 198.A N GLN 194.A O no hydrogen 2.801 N/A GLN 199.A N ASP 195.A O no hydrogen 2.965 N/A ALA 200.A N ASN 196.A O no hydrogen 3.079 N/A LEU 201.A N LEU 197.A O no hydrogen 2.848 N/A GLU 202.A N LEU 198.A O no hydrogen 2.922 N/A LEU 203.A N GLN 199.A O no hydrogen 3.077 N/A GLN 204.A N ALA 200.A O no hydrogen 2.929 N/A GLN 204.A NE2 ASP 167.A OD1 no hydrogen 2.892 N/A LEU 205.A N LEU 201.A O no hydrogen 2.963 N/A LYS 206.A N GLU 202.A O no hydrogen 3.057 N/A LEU 207.A N LEU 203.A O no hydrogen 2.966 N/A ASN 208.A N GLN 204.A O no hydrogen 2.707 N/A ASN 208.A ND2 ASP 164.A OD2 no hydrogen 2.733 N/A ASN 208.A ND2 ASP 167.A OD1 no hydrogen 3.033 N/A ASN 208.A ND2 ASP 167.A OD2 no hydrogen 3.307 N/A HIS 209.A N LEU 205.A O no hydrogen 2.775 N/A HIS 209.A NE2 ASP 167.A OD2 no hydrogen 2.597 N/A SER 212.A N HIS 209.A O no hydrogen 3.095 N/A LEU 215.A N SER 212.A O no hydrogen 3.324 N/A LYS 218.A N GLN 214.A O no hydrogen 3.013 N/A LEU 219.A N LEU 215.A O no hydrogen 2.827 N/A LEU 220.A N PHE 216.A O no hydrogen 2.964 N/A GLN 221.A N ALA 217.A O no hydrogen 3.006 N/A LYS 222.A N LYS 218.A O no hydrogen 3.328 N/A LYS 222.A N LEU 219.A O no hydrogen 2.937 N/A MET 223.A N LEU 220.A O no hydrogen 3.140 N/A THR 224.A N GLN 221.A O no hydrogen 3.089 N/A THR 224.A OG1 GLN 221.A O no hydrogen 3.375 N/A LEU 226.A N LYS 222.A O no hydrogen 3.030 N/A ARG 227.A N MET 223.A O no hydrogen 3.093 N/A ARG 227.A NH2 ASP 180.A OD2 no hydrogen 3.344 N/A GLN 228.A N THR 224.A O no hydrogen 3.131 N/A GLN 228.A NE2 THR 224.A O no hydrogen 2.668 N/A ILE 229.A N ASP 225.A O no hydrogen 3.075 N/A VAL 230.A N LEU 226.A O no hydrogen 3.078 N/A THR 231.A N ARG 227.A O no hydrogen 3.123 N/A THR 231.A OG1 ARG 227.A O no hydrogen 3.083 N/A GLU 232.A N GLN 228.A O no hydrogen 3.010 N/A HIS 233.A N ILE 229.A O no hydrogen 2.898 N/A VAL 234.A N VAL 230.A O no hydrogen 3.012 N/A GLN 235.A N THR 231.A O no hydrogen 3.142 N/A LEU 236.A N GLU 232.A O no hydrogen 2.923 N/A LEU 237.A N HIS 233.A O no hydrogen 2.877 N/A GLN 238.A N VAL 234.A O no hydrogen 3.250 N/A GLN 238.A NE2 VAL 234.A O no hydrogen 3.134 N/A VAL 239.A N GLN 235.A O no hydrogen 3.223 N/A ILE 240.A N LEU 236.A O no hydrogen 2.923 N/A LYS 241.A N LEU 237.A O no hydrogen 2.961 N/A LYS 242.A N GLN 238.A O no hydrogen 3.326 N/A LYS 242.A N VAL 239.A O no hydrogen 3.157 N/A THR 243.A N VAL 239.A O no hydrogen 3.032 N/A THR 243.A OG1 VAL 239.A O no hydrogen 3.396 N/A THR 243.A OG1 ILE 240.A O no hydrogen 3.229 N/A GLU 244.A N ILE 240.A O no hydrogen 2.680 N/A MET 247.A N GLU 244.A O no hydrogen 3.181 N/A HIS 250.A N GLN 70.A OE1 no hydrogen 2.944 N/A GLN 254.A N HIS 250.A O no hydrogen 2.846 N/A GLU 255.A N PRO 251.A O no hydrogen 2.781 N/A ILE 256.A N LEU 252.A O no hydrogen 3.113 N/A TYR 257.A N LEU 253.A O no hydrogen 2.902 N/A TYR 257.A OH HIS 107.A NE2 no hydrogen 2.731 N/A LYS 258.A N GLN 254.A O no hydrogen 3.039 N/A LEU 260.A N TYR 257.A O no hydrogen 3.397 N/A