Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jgt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG SER 118.A OG no hydrogen 2.784 N/A VAL 3.A N LEU 119.A O no hydrogen 2.907 N/A SER 4.A OG GLN 6.A OE1 no hydrogen 3.202 N/A TRP 7.A N SER 4.A OG no hydrogen 3.077 N/A VAL 8.A N SER 4.A O no hydrogen 3.094 N/A ALA 9.A N ALA 5.A O no hydrogen 2.779 N/A GLU 10.A N GLN 6.A O no hydrogen 3.091 N/A ALA 11.A N TRP 7.A O no hydrogen 2.984 N/A LEU 12.A N VAL 8.A O no hydrogen 2.976 N/A ARG 13.A N ALA 9.A O no hydrogen 3.255 N/A ARG 13.A NE GLU 10.A OE1 no hydrogen 3.100 N/A ARG 13.A NH2 GLU 10.A OE1 no hydrogen 2.828 N/A ALA 14.A N GLU 10.A O no hydrogen 2.825 N/A GLN 19.A N ARG 16.A O no hydrogen 3.150 N/A GLN 22.A N HIS 88.A O no hydrogen 3.017 N/A GLN 22.A NE2 LEU 23.A O no hydrogen 3.009 N/A GLN 22.A NE2 GLY 48.A O no hydrogen 2.937 N/A LEU 24.A N VAL 90.A O no hydrogen 2.812 N/A ASP 25.A N ALA 50.A O no hydrogen 2.765 N/A ALA 26.A N TYR 92.A O no hydrogen 2.882 N/A SER 27.A N ASP 25.A OD1 no hydrogen 2.891 N/A SER 27.A OG ASP 25.A OD1 no hydrogen 2.680 N/A TRP 28.A NE1 ASP 55.A OD2 no hydrogen 2.955 N/A LEU 33.A N LEU 30.A O no hydrogen 3.172 N/A GLY 34.A N PRO 31.A O no hydrogen 2.820 N/A ARG 35.A NE GLU 40.A OE1 no hydrogen 3.184 N/A ARG 35.A NE GLU 40.A OE2 no hydrogen 2.964 N/A ARG 35.A NH1 ALA 94.A O no hydrogen 3.394 N/A ARG 35.A NH2 GLU 40.A OE1 no hydrogen 2.525 N/A ARG 35.A NH2 ALA 94.A O no hydrogen 3.139 N/A ARG 38.A NH2 ASP 53.A OD2 no hydrogen 3.432 N/A ARG 39.A N ASP 36.A OD1 no hydrogen 3.194 N/A GLU 40.A N ASP 36.A O no hydrogen 2.913 N/A PHE 41.A N ALA 37.A O no hydrogen 2.959 N/A GLU 42.A N ARG 38.A O no hydrogen 3.152 N/A GLU 43.A N ARG 39.A O no hydrogen 3.013 N/A ARG 44.A N GLU 40.A O no hydrogen 2.980 N/A HIS 45.A N SER 135.A O no hydrogen 3.052 N/A HIS 45.A ND1 PHE 41.A O no hydrogen 2.777 N/A ILE 46.A N TYR 92.A OH no hydrogen 3.113 N/A ALA 49.A N ILE 46.A O no hydrogen 2.853 N/A ALA 50.A N LEU 23.A O no hydrogen 3.043 N/A PHE 52.A N ASP 25.A O no hydrogen 2.733 N/A ASP 53.A N TYR 77.A OH no hydrogen 2.765 N/A ASP 55.A N ASP 53.A OD1 no hydrogen 3.021 N/A GLN 56.A N ASP 53.A O no hydrogen 3.104 N/A GLN 56.A N ASP 53.A OD1 no hydrogen 3.380 N/A CYS 57.A N ASP 53.A O no hydrogen 2.833 N/A SER 58.A N GLN 56.A O no hydrogen 2.919 N/A SER 58.A OG ASP 55.A O no hydrogen 3.030 N/A ASP 59.A N MET 67.A O no hydrogen 2.957 N/A THR 61.A N ASP 59.A OD1 no hydrogen 2.703 N/A SER 62.A N ASP 59.A OD1 no hydrogen 2.932 N/A SER 62.A OG TYR 64.A O no hydrogen 3.335 N/A TYR 64.A N SER 62.A OG no hydrogen 2.829 N/A HIS 66.A ND1 ASP 55.A OD1 no hydrogen 2.841 N/A HIS 66.A NE2 SER 241.A OG no hydrogen 2.830 N/A LEU 68.A N ASP 264.A OD2 no hydrogen 2.827 N/A PHE 74.A N GLY 70.A O no hydrogen 2.908 N/A ALA 75.A N ALA 71.A O no hydrogen 2.901 N/A GLU 76.A N GLU 72.A O no hydrogen 2.945 N/A TYR 77.A N HIS 73.A O no hydrogen 2.987 N/A ALA 78.A N PHE 74.A O no hydrogen 2.882 N/A GLY 79.A N ALA 75.A O no hydrogen 2.876 N/A ARG 80.A N GLU 76.A O no hydrogen 3.096 N/A LEU 81.A N TYR 77.A O no hydrogen 3.143 N/A LEU 81.A N ALA 78.A O no hydrogen 2.994 N/A GLY 82.A N GLY 79.A O no hydrogen 2.818 N/A VAL 83.A N ALA 78.A O no hydrogen 3.127 N/A GLY 84.A N THR 87.A OG1 no hydrogen 2.759 N/A THR 87.A N GLY 84.A O no hydrogen 2.934 N/A THR 87.A OG1 GLY 84.A O no hydrogen 3.102 N/A HIS 88.A N PRO 20.A O no hydrogen 2.796 N/A HIS 88.A NE2 SER 118.A OG no hydrogen 2.669 N/A VAL 89.A N ALA 116.A O no hydrogen 2.999 N/A VAL 90.A N GLN 22.A O no hydrogen 3.001 N/A ILE 91.A N SER 118.A O no hydrogen 3.002 N/A TYR 92.A N LEU 24.A O no hydrogen 2.856 N/A ALA 94.A N SER 27.A OG no hydrogen 2.735 N/A SER 95.A N ASP 93.A OD1 no hydrogen 2.960 N/A SER 95.A OG ASP 93.A OD1 no hydrogen 2.751 N/A GLN 97.A N GLN 97.A OE1 no hydrogen 2.760 N/A GLY 98.A N SER 95.A O no hydrogen 3.216 N/A TYR 100.A N ASP 93.A OD2 no hydrogen 2.646 N/A SER 101.A N ASP 93.A OD2 no hydrogen 3.046 N/A SER 101.A OG ALA 26.A O no hydrogen 2.687 N/A ALA 102.A N ASP 93.A OD2 no hydrogen 2.964 N/A ARG 104.A N SER 101.A O no hydrogen 3.219 N/A ARG 104.A NH1 GLY 242.A O no hydrogen 3.217 N/A ARG 104.A NH1 ASP 264.A OD1 no hydrogen 2.789 N/A VAL 105.A N ALA 102.A O no hydrogen 2.871 N/A TRP 106.A N ALA 102.A O no hydrogen 3.079 N/A TRP 107.A N PRO 103.A O no hydrogen 2.815 N/A MET 108.A N ARG 104.A O no hydrogen 2.901 N/A PHE 109.A N VAL 105.A O no hydrogen 2.944 N/A ARG 110.A N TRP 106.A O no hydrogen 3.193 N/A ARG 110.A NH2 PRO 258.A O no hydrogen 3.100 N/A ALA 111.A N TRP 107.A O no hydrogen 2.949 N/A PHE 112.A N MET 108.A O no hydrogen 3.005 N/A PHE 112.A N PHE 109.A O no hydrogen 3.241 N/A GLY 113.A N ARG 110.A O no hydrogen 2.973 N/A HIS 114.A N PHE 109.A O no hydrogen 2.871 N/A HIS 114.A NE2 THR 87.A O no hydrogen 2.760 N/A VAL 117.A N HIS 115.A O no hydrogen 2.881 N/A SER 118.A N VAL 89.A O no hydrogen 2.967 N/A SER 118.A OG SER 1.A OG no hydrogen 2.784 N/A SER 118.A OG HIS 88.A NE2 no hydrogen 2.669 N/A LEU 119.A N SER 1.A O no hydrogen 3.116 N/A LEU 120.A N ILE 91.A O no hydrogen 2.999 N/A ASP 121.A N VAL 3.A O no hydrogen 2.945 N/A GLY 123.A N LEU 120.A O no hydrogen 2.996 N/A LEU 124.A N ASP 93.A O no hydrogen 2.989 N/A ARG 125.A NH2 GLN 211.A O no hydrogen 3.349 N/A HIS 126.A N GLY 122.A O no hydrogen 2.958 N/A TRP 127.A N GLY 123.A O no hydrogen 3.180 N/A TRP 127.A NE1 PRO 133.A O no hydrogen 2.924 N/A LEU 128.A N LEU 124.A O no hydrogen 2.869 N/A ARG 129.A N ARG 125.A O no hydrogen 3.256 N/A GLN 130.A N HIS 126.A O no hydrogen 2.970 N/A ASN 131.A N LEU 128.A O no hydrogen 3.099 N/A LEU 132.A N TRP 127.A O no hydrogen 3.293 N/A SER 135.A N HIS 45.A O no hydrogen 2.883 N/A GLY 137.A N GLU 42.A O no hydrogen 2.795 N/A SER 139.A OG ALA 49.A O no hydrogen 3.014 N/A ALA 144.A N GLY 79.A O no hydrogen 2.929 N/A GLN 149.A N PHE 112.A O no hydrogen 3.014 N/A ASP 151.A N ALA 111.A O no hydrogen 2.950 N/A ALA 153.A N ASP 151.A OD1 no hydrogen 3.186 N/A PHE 154.A N ASP 151.A O no hydrogen 3.041 N/A ILE 155.A N PRO 152.A O no hydrogen 2.993 N/A LYS 156.A N ILE 262.A O no hydrogen 2.904 N/A THR 157.A N ASP 160.A OD2 no hydrogen 2.889 N/A ASP 160.A N THR 157.A OG1 no hydrogen 3.310 N/A ILE 161.A N THR 157.A O no hydrogen 3.119 N/A LYS 162.A N TYR 158.A O no hydrogen 2.844 N/A GLU 163.A N GLU 159.A O no hydrogen 2.800 N/A ASN 164.A N ASP 160.A O no hydrogen 3.039 N/A ASN 164.A ND2 PHE 170.A O no hydrogen 2.936 N/A LEU 165.A N LYS 162.A O no hydrogen 3.140 N/A GLU 166.A N GLU 163.A O no hydrogen 3.112 N/A SER 167.A N GLU 163.A O no hydrogen 3.148 N/A SER 167.A OG GLU 163.A O no hydrogen 3.378 N/A ARG 168.A N ASN 164.A O no hydrogen 2.867 N/A ARG 168.A NH1 ASN 164.A O no hydrogen 3.191 N/A ARG 168.A NH2 GLY 199.A O no hydrogen 3.149 N/A PHE 170.A N ASN 164.A OD1 no hydrogen 2.978 N/A GLN 171.A N PRO 235.A O no hydrogen 2.939 N/A GLN 171.A NE2 ASP 231.A O no hydrogen 2.873 N/A GLN 171.A NE2 PRO 235.A O no hydrogen 2.960 N/A VAL 173.A N VAL 237.A O no hydrogen 2.893 N/A ASP 174.A N VAL 201.A O no hydrogen 2.821 N/A SER 175.A N THR 239.A O no hydrogen 3.003 N/A SER 175.A OG THR 244.A OG1 no hydrogen 2.931 N/A ARG 176.A N ASP 174.A OD1 no hydrogen 3.020 N/A ARG 176.A NE ASP 174.A OD1 no hydrogen 2.993 N/A ARG 176.A NE ASP 174.A OD2 no hydrogen 3.402 N/A ARG 176.A NH1 GLU 187.A OE2 no hydrogen 2.904 N/A ARG 176.A NH1 GLY 195.A O no hydrogen 3.024 N/A ARG 176.A NH2 ASP 174.A OD2 no hydrogen 2.800 N/A ARG 176.A NH2 GLY 195.A O no hydrogen 2.763 N/A ARG 180.A NE GLU 187.A OE2 no hydrogen 2.837 N/A ARG 180.A NH2 GLU 187.A OE1 no hydrogen 2.780 N/A ARG 180.A NH2 GLU 187.A OE2 no hydrogen 3.460 N/A PHE 181.A N ALA 177.A O no hydrogen 3.074 N/A ARG 182.A N THR 178.A O no hydrogen 2.799 N/A GLY 183.A N GLY 179.A O no hydrogen 2.878 N/A THR 184.A N GLY 179.A O no hydrogen 2.991 N/A THR 184.A OG1 GLY 179.A O no hydrogen 3.500 N/A GLU 185.A N GLY 179.A O no hydrogen 3.252 N/A ILE 192.A N ARG 189.A O no hydrogen 3.269 N/A GLY 195.A N ARG 180.A O no hydrogen 2.792 N/A HIS 196.A ND1 PHE 181.A O no hydrogen 2.691 N/A THR 200.A OG1 ILE 197.A O no hydrogen 2.794 N/A VAL 201.A N VAL 172.A O no hydrogen 2.866 N/A ASN 202.A ND2 ASP 174.A O no hydrogen 2.961 N/A ASN 202.A ND2 ARG 176.A O no hydrogen 2.813 N/A ILE 203.A N ASP 174.A O no hydrogen 2.900 N/A PHE 205.A N SER 175.A O no hydrogen 2.881 N/A ASP 207.A N PRO 204.A O no hydrogen 2.944 N/A PHE 208.A N PHE 205.A O no hydrogen 3.130 N/A LEU 209.A N THR 206.A O no hydrogen 3.280 N/A SER 210.A N LEU 214.A O no hydrogen 2.755 N/A SER 210.A OG LEU 214.A O no hydrogen 3.233 N/A GLY 213.A N SER 210.A O no hydrogen 2.952 N/A GLU 215.A N ASP 121.A OD1 no hydrogen 2.817 N/A LYS 216.A N PHE 208.A O no hydrogen 2.921 N/A LYS 216.A NZ ASP 207.A O no hydrogen 3.044 N/A SER 217.A N GLU 220.A OE1 no hydrogen 2.888 N/A SER 217.A OG GLU 220.A OE1 no hydrogen 3.080 N/A GLU 220.A N SER 217.A OG no hydrogen 3.115 N/A ILE 221.A N SER 217.A O no hydrogen 2.984 N/A ARG 222.A N PRO 218.A O no hydrogen 2.928 N/A HIS 223.A N GLU 219.A O no hydrogen 2.988 N/A HIS 223.A ND1 GLN 226.A OE1 no hydrogen 3.254 N/A LEU 224.A N GLU 220.A O no hydrogen 2.876 N/A PHE 225.A N ILE 221.A O no hydrogen 2.965 N/A GLN 226.A N ARG 222.A O no hydrogen 2.915 N/A GLU 227.A N HIS 223.A O no hydrogen 2.721 N/A LYS 228.A N LEU 224.A O no hydrogen 3.078 N/A LYS 228.A N PHE 225.A O no hydrogen 3.264 N/A LYS 228.A NZ ASN 202.A O no hydrogen 3.459 N/A LYS 229.A N GLN 226.A O no hydrogen 2.919 N/A VAL 230.A N PHE 225.A O no hydrogen 2.967 N/A ASP 231.A N GLN 171.A OE1 no hydrogen 2.813 N/A SER 233.A N ASP 231.A OD1 no hydrogen 2.890 N/A SER 233.A OG ASP 231.A OD1 no hydrogen 2.503 N/A SER 233.A OG ASP 231.A OD2 no hydrogen 3.221 N/A LYS 234.A N ASP 231.A O no hydrogen 3.233 N/A LYS 234.A NZ ASP 231.A OD2 no hydrogen 3.424 N/A VAL 237.A N GLN 171.A O no hydrogen 2.773 N/A ALA 238.A N PRO 261.A O no hydrogen 2.958 N/A THR 239.A N VAL 173.A O no hydrogen 2.952 N/A THR 239.A OG1 SER 266.A OG no hydrogen 3.356 N/A SER 241.A OG HIS 66.A NE2 no hydrogen 2.830 N/A THR 244.A OG1 SER 175.A OG no hydrogen 2.931 N/A CYS 246.A N VAL 243.A O no hydrogen 3.209 N/A CYS 246.A SG GLY 242.A O no hydrogen 3.875 N/A HIS 247.A N THR 244.A O no hydrogen 3.044 N/A VAL 248.A N ALA 245.A O no hydrogen 2.861 N/A ALA 249.A N ALA 245.A O no hydrogen 3.304 N/A LEU 250.A N CYS 246.A O no hydrogen 2.885 N/A GLY 251.A N HIS 247.A O no hydrogen 2.936 N/A ALA 252.A N VAL 248.A O no hydrogen 3.024 N/A TYR 253.A N ALA 249.A O no hydrogen 2.937 N/A LEU 254.A N LEU 250.A O no hydrogen 2.935 N/A CYS 255.A N GLY 251.A O no hydrogen 3.270 N/A CYS 255.A N ALA 252.A O no hydrogen 2.928 N/A CYS 255.A SG PRO 218.A O no hydrogen 3.499 N/A CYS 255.A SG GLY 251.A O no hydrogen 3.349 N/A GLY 256.A N TYR 253.A O no hydrogen 2.965 N/A LYS 257.A N ALA 252.A O no hydrogen 2.981 N/A LYS 257.A NZ LEU 232.A O no hydrogen 3.077 N/A LYS 257.A NZ LYS 234.A O no hydrogen 2.965 N/A ILE 262.A N PHE 154.A O no hydrogen 2.965 N/A TYR 263.A N ALA 238.A O no hydrogen 2.752 N/A TYR 263.A OH GLU 269.A OE1 no hydrogen 2.870 N/A SER 266.A OG THR 239.A OG1 no hydrogen 3.356 N/A SER 266.A OG TYR 263.A O no hydrogen 2.748 N/A TRP 267.A NE1 GLU 193.A O no hydrogen 2.810 N/A VAL 268.A N GLY 240.A O no hydrogen 3.130 N/A GLU 269.A N GLY 265.A O no hydrogen 3.297 N/A TRP 270.A N SER 266.A O no hydrogen 2.933 N/A TYR 271.A N TRP 267.A O no hydrogen 2.675 N/A MET 272.A N VAL 268.A O no hydrogen 3.217 N/A ARG 273.A N GLU 269.A O no hydrogen 2.886 N/A ARG 273.A NH1 GLU 269.A OE2 no hydrogen 3.166 N/A ALA 274.A N TRP 270.A O no hydrogen 2.803 N/A ARG 275.A N TYR 271.A O no hydrogen 2.931 N/A