Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jwe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE GLU 79.A OE2 no hydrogen 2.647 N/A ARG 3.A NH2 GLY 22.A O no hydrogen 2.915 N/A ARG 3.A NH2 GLU 79.A OE1 no hydrogen 2.703 N/A ARG 3.A NH2 GLU 79.A OE2 no hydrogen 3.366 N/A ARG 4.A NH1 SER 8.A O no hydrogen 2.678 N/A THR 5.A N ILE 9.A O no hydrogen 2.889 N/A THR 5.A OG1 GLN 7.A OE1 no hydrogen 3.431 N/A GLN 7.A N THR 5.A OG1 no hydrogen 3.380 N/A GLN 7.A NE2 GLY 76.A O no hydrogen 3.141 N/A SER 8.A N THR 5.A O no hydrogen 2.796 N/A ILE 9.A N THR 5.A OG1 no hydrogen 3.132 N/A TYR 11.A N ARG 3.A O no hydrogen 2.881 N/A TYR 11.A OH GLN 77.A O no hydrogen 2.804 N/A ASP 13.A N PRO 10.A O no hydrogen 3.083 N/A LEU 14.A N TYR 11.A O no hydrogen 3.435 N/A HIS 16.A ND1 LEU 14.A O no hydrogen 2.913 N/A LEU 17.A N LEU 25.A O no hydrogen 3.067 N/A ASN 19.A N GLN 23.A O no hydrogen 2.826 N/A ASN 19.A ND2 GLN 23.A OE1 no hydrogen 3.024 N/A ASN 19.A ND2 ASP 94.A OD2 no hydrogen 3.003 N/A ASP 21.A N ASN 19.A OD1 no hydrogen 3.036 N/A GLY 22.A N ASN 19.A O no hydrogen 2.777 N/A GLN 23.A N ASN 19.A OD1 no hydrogen 2.837 N/A TYR 24.A N GLU 79.A OE1 no hydrogen 2.986 N/A LEU 25.A N LEU 17.A O no hydrogen 2.809 N/A PHE 26.A N SER 78.A OG no hydrogen 2.921 N/A CYS 27.A N PRO 15.A O no hydrogen 2.901 N/A CYS 27.A SG LEU 25.A O no hydrogen 3.715 N/A ARG 28.A N ALA 69.A O no hydrogen 3.003 N/A ARG 28.A NE SER 50.A OG no hydrogen 2.956 N/A TYR 29.A OH HIS 98.A NE2 no hydrogen 2.958 N/A TRP 30.A N VAL 67.A O no hydrogen 2.856 N/A TRP 30.A NE1 GLU 54.A OE2 no hydrogen 2.904 N/A LYS 37.A N ASP 64.A O no hydrogen 2.824 N/A LEU 39.A N PRO 110.A O no hydrogen 2.876 N/A ILE 40.A N LEU 66.A O no hydrogen 3.056 N/A PHE 41.A N PHE 112.A O no hydrogen 2.894 N/A VAL 42.A N PHE 68.A O no hydrogen 3.028 N/A SER 43.A N LEU 114.A O no hydrogen 2.658 N/A SER 43.A OG HIS 72.A NE2 no hydrogen 3.114 N/A SER 43.A OG GLY 119.A O no hydrogen 3.304 N/A HIS 44.A ND1 GLY 45.A O no hydrogen 2.822 N/A GLY 45.A N GLU 48.A OE2 no hydrogen 2.876 N/A GLY 47.A N HIS 75.A NE2 no hydrogen 3.252 N/A HIS 49.A NE2 ASP 173.A OD2 no hydrogen 2.819 N/A SER 50.A N ASP 71.A OD1 no hydrogen 2.855 N/A SER 50.A OG ASP 71.A OD1 no hydrogen 2.752 N/A ARG 52.A N HIS 49.A O no hydrogen 3.241 N/A TYR 53.A N SER 50.A O no hydrogen 3.016 N/A TYR 53.A OH GLU 48.A OE2 no hydrogen 2.600 N/A GLU 54.A N GLY 51.A O no hydrogen 3.365 N/A ALA 57.A N TYR 53.A O no hydrogen 2.850 N/A ARG 58.A N GLU 54.A O no hydrogen 2.912 N/A MET 59.A N GLU 55.A O no hydrogen 3.133 N/A LEU 60.A N LEU 56.A O no hydrogen 3.157 N/A MET 61.A N ALA 57.A O no hydrogen 2.840 N/A GLY 62.A N ARG 58.A O no hydrogen 3.393 N/A LEU 63.A N LEU 60.A O no hydrogen 3.125 N/A ASP 64.A N MET 61.A O no hydrogen 2.948 N/A LEU 65.A N LEU 60.A O no hydrogen 3.370 N/A LEU 66.A N ALA 38.A O no hydrogen 3.032 N/A VAL 67.A N TRP 30.A O no hydrogen 3.312 N/A PHE 68.A N ILE 40.A O no hydrogen 3.108 N/A ALA 69.A N ARG 28.A O no hydrogen 2.973 N/A HIS 70.A ND1 HIS 98.A ND1 no hydrogen 2.928 N/A ASP 71.A N PHE 26.A O no hydrogen 2.956 N/A HIS 72.A N HIS 44.A NE2 no hydrogen 3.117 N/A HIS 72.A NE2 SER 43.A OG no hydrogen 3.114 N/A GLY 74.A N GLU 79.A O no hydrogen 2.959 N/A HIS 75.A N HIS 72.A O no hydrogen 3.085 N/A HIS 75.A ND1 VAL 73.A O no hydrogen 2.781 N/A GLN 77.A N ASP 71.A OD2 no hydrogen 2.759 N/A SER 78.A N HIS 75.A O no hydrogen 3.063 N/A SER 78.A OG ASP 71.A O no hydrogen 2.569 N/A GLU 79.A N TYR 24.A O no hydrogen 3.008 N/A ARG 82.A NH1 SER 78.A O no hydrogen 2.642 N/A ARG 82.A NH1 GLY 80.A O no hydrogen 2.875 N/A ARG 82.A NH2 GLY 76.A O no hydrogen 2.822 N/A MET 83.A N GLY 74.A O no hydrogen 2.974 N/A PHE 88.A N GLN 188.A OE1 no hydrogen 3.141 N/A HIS 89.A N ASP 87.A OD2 no hydrogen 3.007 N/A HIS 89.A NE2 GLU 129.A OE1 no hydrogen 2.738 N/A VAL 90.A N ASP 87.A O no hydrogen 3.036 N/A PHE 91.A N PHE 88.A O no hydrogen 3.208 N/A ARG 93.A N HIS 89.A O no hydrogen 2.929 N/A ARG 93.A NE ASP 94.A OD1 no hydrogen 3.011 N/A ARG 93.A NH1 ASP 21.A OD1 no hydrogen 3.294 N/A ARG 93.A NH1 ASP 21.A OD2 no hydrogen 3.185 N/A ARG 93.A NH2 ASP 21.A OD2 no hydrogen 2.816 N/A ARG 93.A NH2 ASP 94.A OD1 no hydrogen 3.136 N/A ASP 94.A N VAL 90.A O no hydrogen 2.990 N/A VAL 95.A N PHE 91.A O no hydrogen 3.154 N/A LEU 96.A N VAL 92.A O no hydrogen 3.032 N/A GLN 97.A N ARG 93.A O no hydrogen 3.114 N/A GLN 97.A NE2 VAL 18.A O no hydrogen 2.937 N/A HIS 98.A N ASP 94.A O no hydrogen 3.167 N/A HIS 98.A ND1 HIS 70.A ND1 no hydrogen 2.928 N/A HIS 98.A NE2 TYR 29.A OH no hydrogen 2.958 N/A VAL 99.A N VAL 95.A O no hydrogen 2.869 N/A ASP 100.A N LEU 96.A O no hydrogen 2.881 N/A SER 101.A N GLN 97.A O no hydrogen 3.103 N/A SER 101.A OG GLN 97.A O no hydrogen 3.299 N/A MET 102.A N HIS 98.A O no hydrogen 3.106 N/A GLN 103.A N VAL 99.A O no hydrogen 2.908 N/A GLN 103.A NE2 HIS 133.A NE2 no hydrogen 3.167 N/A LYS 104.A N ASP 100.A O no hydrogen 3.245 N/A TYR 106.A N MET 102.A O no hydrogen 3.124 N/A PHE 112.A N LEU 39.A O no hydrogen 2.831 N/A LEU 113.A N GLY 136.A O no hydrogen 3.161 N/A LEU 114.A N PHE 41.A O no hydrogen 2.789 N/A GLY 115.A N VAL 138.A O no hydrogen 2.983 N/A HIS 116.A N SER 43.A O no hydrogen 3.152 N/A HIS 116.A ND1 ILE 140.A O no hydrogen 2.823 N/A SER 117.A N ILE 140.A O no hydrogen 3.264 N/A SER 117.A OG HIS 245.A NE2 no hydrogen 3.370 N/A GLY 119.A N HIS 116.A O no hydrogen 3.159 N/A GLY 120.A N SER 117.A O no hydrogen 2.587 N/A ALA 121.A N SER 117.A O no hydrogen 3.274 N/A ILE 122.A N MET 118.A O no hydrogen 2.983 N/A ALA 123.A N GLY 119.A O no hydrogen 3.102 N/A ILE 124.A N GLY 120.A O no hydrogen 3.006 N/A LEU 125.A N ALA 121.A O no hydrogen 2.947 N/A THR 126.A N ILE 122.A O no hydrogen 2.926 N/A THR 126.A N ALA 123.A O no hydrogen 3.165 N/A THR 126.A OG1 ILE 122.A O no hydrogen 2.670 N/A ALA 127.A N ALA 123.A O no hydrogen 3.085 N/A ALA 128.A N ILE 124.A O no hydrogen 3.115 N/A GLU 129.A N LEU 125.A O no hydrogen 3.309 N/A GLU 129.A N THR 126.A O no hydrogen 3.200 N/A ARG 130.A N THR 126.A O no hydrogen 3.236 N/A ARG 130.A NH1 ASP 100.A OD1 no hydrogen 2.787 N/A ARG 130.A NH1 ASP 100.A OD2 no hydrogen 3.183 N/A ARG 130.A NH2 ASP 100.A OD2 no hydrogen 3.086 N/A HIS 133.A N ARG 130.A O no hydrogen 3.171 N/A ALA 135.A N VAL 111.A O no hydrogen 2.955 N/A MET 137.A N PRO 206.A O no hydrogen 2.800 N/A VAL 138.A N LEU 113.A O no hydrogen 2.820 N/A LEU 139.A N LEU 208.A O no hydrogen 2.853 N/A ILE 140.A N GLY 115.A O no hydrogen 2.987 N/A SER 141.A N LEU 210.A O no hydrogen 2.847 N/A SER 141.A OG HIS 116.A ND1 no hydrogen 3.336 N/A SER 141.A OG HIS 245.A O no hydrogen 2.901 N/A LEU 143.A N SER 117.A O no hydrogen 3.193 N/A LEU 152.A N LEU 181.A O no hydrogen 2.655 N/A GLY 153.A N SER 151.A OG no hydrogen 3.278 N/A SER 157.A OG ASN 171.A OD1 no hydrogen 2.848 N/A SER 158.A OG ASP 156.A OD2 no hydrogen 2.695 N/A VAL 159.A N ASP 156.A O no hydrogen 3.119 N/A LEU 160.A N SER 157.A O no hydrogen 3.371 N/A SER 161.A OG LYS 249.A O no hydrogen 2.753 N/A ARG 162.A N GLU 250.A OE1 no hydrogen 3.044 N/A ARG 162.A NE GLU 250.A OE2 no hydrogen 3.002 N/A ARG 162.A NH2 GLU 250.A OE2 no hydrogen 3.127 N/A ASN 163.A N SER 161.A OG no hydrogen 3.074 N/A ASN 163.A ND2 GLU 250.A O no hydrogen 3.050 N/A GLU 166.A N ASN 163.A OD1 no hydrogen 3.154 N/A VAL 167.A N ASN 163.A O no hydrogen 3.209 N/A ASP 168.A N LYS 164.A O no hydrogen 3.236 N/A ILE 169.A N THR 165.A O no hydrogen 2.955 N/A TYR 170.A N GLU 166.A O no hydrogen 3.061 N/A ASN 171.A N VAL 167.A O no hydrogen 2.864 N/A SER 172.A N ILE 169.A O no hydrogen 3.208 N/A SER 172.A OG ASP 168.A O no hydrogen 2.787 N/A SER 172.A OG ILE 169.A O no hydrogen 3.362 N/A ASP 173.A N TYR 170.A O no hydrogen 3.359 N/A LEU 175.A N ASP 173.A OD1 no hydrogen 3.049 N/A ILE 176.A N ASP 173.A O no hydrogen 3.261 N/A CYS 177.A N GLY 47.A O no hydrogen 2.999 N/A ARG 178.A NH1 ASP 173.A O no hydrogen 2.830 N/A ARG 178.A NH2 ASP 173.A O no hydrogen 3.218 N/A LYS 182.A NZ GLU 81.A OE2 no hydrogen 3.494 N/A LYS 182.A NZ ARG 82.A O no hydrogen 2.757 N/A VAL 183.A N LEU 150.A O no hydrogen 2.941 N/A GLY 186.A N LYS 182.A O no hydrogen 2.712 N/A ILE 187.A N VAL 183.A O no hydrogen 2.973 N/A GLN 188.A N CYS 184.A O no hydrogen 3.319 N/A LEU 189.A N PHE 185.A O no hydrogen 2.932 N/A LEU 190.A N GLY 186.A O no hydrogen 3.143 N/A LEU 190.A N ILE 187.A O no hydrogen 3.127 N/A ASN 191.A N ILE 187.A O no hydrogen 3.110 N/A ASN 191.A ND2 GLN 188.A OE1 no hydrogen 3.065 N/A ALA 192.A N GLN 188.A O no hydrogen 2.944 N/A VAL 193.A N LEU 189.A O no hydrogen 3.218 N/A SER 194.A N LEU 190.A O no hydrogen 3.054 N/A ARG 195.A N ASN 191.A O no hydrogen 2.815 N/A ARG 195.A NH1 ASP 87.A OD2 no hydrogen 2.976 N/A ARG 195.A NH2 ASP 87.A OD1 no hydrogen 3.037 N/A VAL 196.A N ALA 192.A O no hydrogen 2.838 N/A GLU 197.A N VAL 193.A O no hydrogen 3.042 N/A ARG 198.A N SER 194.A O no hydrogen 3.196 N/A ALA 199.A N ARG 195.A O no hydrogen 3.052 N/A ALA 199.A N VAL 196.A O no hydrogen 3.169 N/A LEU 200.A N VAL 196.A O no hydrogen 3.115 N/A LYS 202.A N ALA 199.A O no hydrogen 2.920 N/A LEU 203.A N LEU 200.A O no hydrogen 3.129 N/A PHE 207.A N ASP 234.A O no hydrogen 2.852 N/A LEU 208.A N MET 137.A O no hydrogen 3.008 N/A LEU 209.A N THR 236.A O no hydrogen 2.826 N/A LEU 210.A N LEU 139.A O no hydrogen 2.856 N/A GLN 211.A N LYS 238.A O no hydrogen 3.004 N/A GLN 211.A NE2 GLY 212.A O no hydrogen 2.952 N/A GLN 211.A NE2 ASP 215.A OD2 no hydrogen 3.394 N/A GLN 211.A NE2 CYS 218.A O no hydrogen 3.155 N/A SER 213.A N TYR 240.A O no hydrogen 3.070 N/A ALA 214.A N ALA 243.A O no hydrogen 3.022 N/A LEU 217.A N ASP 215.A OD1 no hydrogen 2.961 N/A CYS 218.A N ASP 215.A OD1 no hydrogen 2.893 N/A CYS 218.A SG SER 141.A O no hydrogen 3.903 N/A CYS 218.A SG PRO 142.A O no hydrogen 3.622 N/A LYS 221.A N ASP 219.A OD2 no hydrogen 2.955 N/A GLY 222.A N ASP 219.A O no hydrogen 3.120 N/A ALA 223.A N SER 220.A O no hydrogen 2.878 N/A TYR 224.A N SER 220.A O no hydrogen 3.286 N/A LEU 225.A N LYS 221.A O no hydrogen 3.042 N/A LEU 226.A N GLY 222.A O no hydrogen 2.945 N/A MET 227.A N ALA 223.A O no hydrogen 3.076 N/A GLU 228.A N TYR 224.A O no hydrogen 3.237 N/A LEU 229.A N LEU 225.A O no hydrogen 2.744 N/A ALA 230.A N LEU 226.A O no hydrogen 3.231 N/A LYS 231.A NZ LEU 229.A O no hydrogen 3.209 N/A SER 232.A OG LEU 203.A O no hydrogen 3.353 N/A SER 232.A OG VAL 205.A O no hydrogen 2.679 N/A LYS 235.A NZ MET 227.A O no hydrogen 2.673 N/A LYS 235.A NZ ALA 230.A O no hydrogen 2.788 N/A THR 236.A N PHE 207.A O no hydrogen 3.022 N/A LYS 238.A N LEU 209.A O no hydrogen 2.873 N/A TYR 240.A N GLN 211.A O no hydrogen 2.937 N/A TYR 240.A OH SER 257.A OG no hydrogen 3.116 N/A GLY 242.A N SER 213.A OG no hydrogen 2.787 N/A ALA 243.A N TYR 240.A O no hydrogen 3.298 N/A TYR 244.A N GLU 250.A OE1 no hydrogen 2.929 N/A HIS 245.A ND1 ASP 215.A OD2 no hydrogen 2.802 N/A VAL 246.A N LEU 160.A O no hydrogen 2.925 N/A LEU 247.A N HIS 245.A O no hydrogen 2.950 N/A LYS 249.A N VAL 246.A O no hydrogen 2.957 N/A LYS 249.A NZ ARG 52.A O no hydrogen 3.333 N/A LEU 251.A N GLU 250.A OE2 no hydrogen 2.979 N/A THR 255.A N LEU 251.A O no hydrogen 3.042 N/A THR 255.A OG1 LEU 247.A O no hydrogen 3.459 N/A THR 255.A OG1 LEU 251.A O no hydrogen 3.465 N/A ASN 256.A N PRO 252.A O no hydrogen 2.935 N/A SER 257.A N GLU 253.A O no hydrogen 3.469 N/A SER 257.A OG TYR 240.A OH no hydrogen 3.116 N/A VAL 258.A N VAL 254.A O no hydrogen 2.902 N/A PHE 259.A N THR 255.A O no hydrogen 3.000 N/A HIS 260.A N ASN 256.A O no hydrogen 3.104 N/A GLU 261.A N SER 257.A O no hydrogen 2.761 N/A ILE 262.A N VAL 258.A O no hydrogen 2.982 N/A ASN 263.A N PHE 259.A O no hydrogen 2.915 N/A MET 264.A N HIS 260.A O no hydrogen 2.815 N/A TRP 265.A N GLU 261.A O no hydrogen 3.048 N/A VAL 266.A N ILE 262.A O no hydrogen 3.090 N/A SER 267.A N ASN 263.A O no hydrogen 3.028 N/A SER 267.A OG ASN 263.A O no hydrogen 2.645 N/A SER 267.A OG ASN 263.A OD1 no hydrogen 3.333 N/A GLN 268.A N MET 264.A O no hydrogen 2.991 N/A ARG 269.A N VAL 266.A O no hydrogen 3.117 N/A ARG 269.A NE ASP 234.A OD2 no hydrogen 3.078 N/A ARG 269.A NH1 TRP 265.A O no hydrogen 2.863 N/A ARG 269.A NH2 ASP 234.A OD1 no hydrogen 3.167 N/A THR 270.A N SER 267.A O no hydrogen 3.468 N/A THR 270.A OG1 VAL 266.A O no hydrogen 3.234 N/A THR 270.A OG1 SER 267.A O no hydrogen 3.129 N/A