Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vrq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A N TRP 2.A O no hydrogen 3.101 N/A ALA 7.A N GLU 3.A O no hydrogen 2.959 N/A LEU 8.A N GLU 4.A O no hydrogen 2.844 N/A GLY 9.A N ALA 5.A O no hydrogen 2.993 N/A ARG 10.A N ARG 6.A O no hydrogen 2.960 N/A ARG 10.A NH1 GLU 63.A OE2 no hydrogen 3.011 N/A ALA 11.A N ALA 7.A O no hydrogen 3.047 N/A VAL 12.A N LEU 8.A O no hydrogen 3.168 N/A ARG 13.A N GLY 9.A O no hydrogen 3.267 N/A MET 14.A N ARG 10.A O no hydrogen 2.855 N/A LEU 15.A N ALA 11.A O no hydrogen 2.923 N/A GLN 16.A N VAL 12.A O no hydrogen 2.933 N/A ARG 17.A N ARG 13.A O no hydrogen 3.091 N/A LEU 18.A N MET 14.A O no hydrogen 3.030 N/A GLU 19.A N LEU 15.A O no hydrogen 2.874 N/A GLU 20.A N GLN 16.A O no hydrogen 3.169 N/A GLN 21.A N ARG 17.A O no hydrogen 3.335 N/A GLN 21.A NE2 ALA 70.A O no hydrogen 3.069 N/A CYS 22.A N GLU 19.A O no hydrogen 2.954 N/A CYS 22.A SG LEU 18.A O no hydrogen 3.315 N/A ARG 27.A NH2 CYS 22.A O no hydrogen 3.167 N/A ASP 28.A N SER 25.A O no hydrogen 3.196 N/A LEU 29.A N SER 25.A O no hydrogen 2.975 N/A LEU 30.A N LEU 26.A O no hydrogen 2.881 N/A THR 33.A N LEU 29.A O no hydrogen 2.911 N/A THR 33.A OG1 LEU 29.A O no hydrogen 3.031 N/A THR 33.A OG1 HIS 90.A ND1 no hydrogen 3.410 N/A ALA 34.A N LEU 30.A O no hydrogen 3.026 N/A GLN 35.A N PRO 31.A O no hydrogen 2.871 N/A GLN 35.A NE2 GLU 39.A OE2 no hydrogen 3.097 N/A LEU 36.A N ARG 32.A O no hydrogen 2.997 N/A LEU 37.A N THR 33.A O no hydrogen 2.901 N/A ARG 38.A N ALA 34.A O no hydrogen 3.109 N/A ARG 38.A NE GLN 35.A OE1 no hydrogen 3.370 N/A ARG 38.A NH2 GLN 35.A OE1 no hydrogen 3.118 N/A GLU 39.A N GLN 35.A O no hydrogen 3.051 N/A VAL 40.A N LEU 36.A O no hydrogen 2.826 N/A ALA 41.A N LEU 37.A O no hydrogen 2.743 N/A HIS 42.A N ARG 38.A O no hydrogen 2.803 N/A SER 43.A N GLU 39.A O no hydrogen 2.980 N/A SER 43.A OG GLY 100.A O no hydrogen 3.065 N/A ARG 44.A N VAL 40.A O no hydrogen 3.084 N/A ARG 44.A NE GLU 4.A OE1 no hydrogen 2.587 N/A ARG 44.A NH1 SER 51.A OG no hydrogen 2.996 N/A ARG 44.A NH2 GLU 4.A OE1 no hydrogen 3.359 N/A ARG 44.A NH2 GLU 4.A OE2 no hydrogen 3.007 N/A ARG 44.A NH2 SER 51.A OG no hydrogen 2.905 N/A GLY 49.A N ASP 53.A OD2 no hydrogen 3.043 N/A GLY 50.A N GLY 47.A O no hydrogen 2.915 N/A GLY 52.A N PRO 45.A O no hydrogen 3.113 N/A PHE 54.A N GLY 50.A O no hydrogen 2.933 N/A LEU 55.A N SER 51.A O no hydrogen 2.901 N/A LEU 56.A N GLY 52.A O no hydrogen 3.021 N/A ILE 57.A N ASP 53.A O no hydrogen 3.015 N/A TYR 58.A N PHE 54.A O no hydrogen 2.769 N/A TYR 58.A OH MET 89.A O no hydrogen 2.679 N/A LEU 59.A N LEU 55.A O no hydrogen 2.824 N/A ALA 60.A N LEU 56.A O no hydrogen 3.120 N/A ASN 61.A N ILE 57.A O no hydrogen 2.957 N/A ASN 61.A ND2 THR 159.A O no hydrogen 2.989 N/A LEU 62.A N TYR 58.A O no hydrogen 2.784 N/A GLU 63.A N LEU 59.A O no hydrogen 2.956 N/A ALA 64.A N ALA 60.A O no hydrogen 2.916 N/A LYS 65.A N ASN 61.A O no hydrogen 2.999 N/A LYS 65.A NZ ASN 61.A OD1 no hydrogen 2.881 N/A LYS 65.A NZ CYS 160.A O no hydrogen 2.973 N/A SER 66.A N LEU 62.A O no hydrogen 2.911 N/A SER 66.A OG LEU 62.A O no hydrogen 2.751 N/A ARG 67.A N GLU 63.A O no hydrogen 3.049 N/A ARG 67.A NH2 GLU 63.A OE1 no hydrogen 3.339 N/A GLN 68.A N ALA 64.A O no hydrogen 3.248 N/A VAL 69.A N LYS 65.A O no hydrogen 3.112 N/A ALA 70.A N SER 66.A O no hydrogen 3.085 N/A ALA 71.A N ARG 67.A O no hydrogen 3.163 N/A ARG 76.A N SER 73.A OG no hydrogen 3.117 N/A GLN 78.A N ARG 74.A O no hydrogen 3.352 N/A GLN 78.A N LEU 75.A O no hydrogen 3.258 N/A LEU 79.A N LEU 75.A O no hydrogen 2.958 N/A ALA 80.A N ARG 76.A O no hydrogen 3.086 N/A LEU 82.A N GLN 78.A O no hydrogen 3.184 N/A ALA 83.A N LEU 79.A O no hydrogen 2.855 N/A ILE 84.A N ALA 80.A O no hydrogen 3.063 N/A ILE 85.A N LYS 81.A O no hydrogen 3.143 N/A PHE 86.A N LEU 82.A O no hydrogen 2.929 N/A SER 87.A N ALA 83.A O no hydrogen 2.988 N/A HIS 88.A N ILE 84.A O no hydrogen 2.814 N/A MET 89.A N ILE 85.A O no hydrogen 2.883 N/A HIS 90.A N PHE 86.A O no hydrogen 2.881 N/A ALA 91.A N SER 87.A O no hydrogen 2.906 N/A GLU 92.A N HIS 88.A O no hydrogen 2.956 N/A LEU 93.A N MET 89.A O no hydrogen 3.099 N/A HIS 94.A N HIS 90.A O no hydrogen 2.922 N/A ALA 95.A N ALA 91.A O no hydrogen 2.845 N/A LEU 96.A N GLU 92.A O no hydrogen 3.082 N/A PHE 97.A N LEU 93.A O no hydrogen 2.869 N/A GLY 100.A N PHE 97.A O no hydrogen 2.927 N/A LYS 101.A N PRO 98.A O no hydrogen 3.293 N/A CYS 103.A N LEU 96.A O no hydrogen 2.868 N/A CYS 103.A SG ALA 95.A O no hydrogen 3.254 N/A CYS 103.A SG LEU 96.A O no hydrogen 3.805 N/A HIS 105.A N HIS 105.A ND1 no hydrogen 2.863 N/A MET 106.A N CYS 103.A O no hydrogen 3.135 N/A TYR 107.A OH ASP 170.A OD2 no hydrogen 2.630 N/A THR 110.A N ASP 170.A OD1 no hydrogen 3.013 N/A THR 110.A OG1 ASP 170.A OD1 no hydrogen 3.523 N/A HIS 115.A N LYS 111.A O no hydrogen 2.899 N/A THR 116.A N ALA 112.A O no hydrogen 2.988 N/A THR 116.A OG1 ALA 112.A O no hydrogen 3.074 N/A PHE 117.A N PRO 113.A O no hydrogen 2.869 N/A TRP 118.A N ALA 114.A O no hydrogen 3.006 N/A TRP 118.A NE1 ARG 125.A O no hydrogen 2.809 N/A ARG 119.A N HIS 115.A O no hydrogen 2.986 N/A ARG 119.A NH1 GLY 104.A O no hydrogen 3.398 N/A ARG 119.A NH1 GLY 123.A O no hydrogen 2.985 N/A ARG 119.A NH1 ALA 124.A O no hydrogen 3.388 N/A ARG 119.A NH2 GLY 104.A O no hydrogen 2.820 N/A ARG 119.A NH2 TYR 107.A O no hydrogen 2.989 N/A GLU 120.A N THR 116.A O no hydrogen 3.043 N/A SER 121.A N PHE 117.A O no hydrogen 3.007 N/A SER 121.A OG PHE 117.A O no hydrogen 2.926 N/A CYS 122.A N TRP 118.A O no hydrogen 2.823 N/A GLY 123.A N ARG 119.A O no hydrogen 2.812 N/A ARG 125.A N CYS 122.A O no hydrogen 3.373 N/A ARG 125.A NE VAL 127.A O no hydrogen 3.407 N/A ARG 125.A NH2 VAL 127.A O no hydrogen 3.215 N/A CYS 126.A N GLY 49.A O no hydrogen 2.799 N/A CYS 126.A SG GLY 49.A O no hydrogen 3.636 N/A CYS 126.A SG TYR 102.A OH no hydrogen 3.135 N/A LEU 128.A N VAL 164.A O no hydrogen 2.941 N/A TRP 130.A N GLY 162.A O no hydrogen 2.845 N/A TRP 130.A NE1 GLU 134.A OE2 no hydrogen 2.757 N/A PHE 133.A N PRO 129.A O no hydrogen 3.091 N/A GLU 134.A N TRP 130.A O no hydrogen 2.716 N/A SER 135.A N ALA 131.A O no hydrogen 3.043 N/A LEU 136.A N GLU 132.A O no hydrogen 2.843 N/A LEU 137.A N PHE 133.A O no hydrogen 2.822 N/A GLY 138.A N GLU 134.A O no hydrogen 2.969 N/A THR 139.A N LEU 136.A O no hydrogen 3.369 N/A THR 139.A OG1 LEU 136.A O no hydrogen 2.848 N/A CYS 140.A N LEU 137.A O no hydrogen 2.818 N/A HIS 141.A N LEU 137.A O no hydrogen 2.820 N/A ALA 151.A N CYS 147.A O no hydrogen 3.158 N/A LEU 152.A N THR 148.A O no hydrogen 2.895 N/A ARG 153.A N ALA 149.A O no hydrogen 2.956 N/A THR 154.A N LEU 150.A O no hydrogen 3.184 N/A THR 154.A OG1 LEU 150.A O no hydrogen 3.190 N/A THR 155.A N ALA 151.A O no hydrogen 3.033 N/A THR 155.A OG1 ALA 151.A O no hydrogen 3.274 N/A ILE 156.A N LEU 152.A O no hydrogen 2.941 N/A ASP 157.A N ARG 153.A O no hydrogen 2.761 N/A LEU 158.A N ILE 156.A O no hydrogen 2.923 N/A THR 159.A N GLU 168.A OE2 no hydrogen 3.150 N/A THR 159.A OG1 SER 161.A OG no hydrogen 3.403 N/A THR 159.A OG1 GLU 168.A OE2 no hydrogen 3.390 N/A CYS 160.A N ASP 157.A O no hydrogen 3.094 N/A CYS 160.A SG ASP 157.A O no hydrogen 4.007 N/A CYS 160.A SG LEU 158.A O no hydrogen 3.952 N/A SER 161.A N ASP 157.A OD1 no hydrogen 3.145 N/A SER 161.A OG THR 159.A OG1 no hydrogen 3.403 N/A SER 161.A OG HIS 163.A O no hydrogen 3.494 N/A GLY 162.A N ASP 157.A OD2 no hydrogen 2.714 N/A HIS 163.A N SER 161.A OG no hydrogen 3.322 N/A HIS 163.A ND1 SER 161.A O no hydrogen 3.113 N/A VAL 164.A N LEU 128.A O no hydrogen 2.723 N/A SER 165.A N GLU 168.A OE1 no hydrogen 2.853 N/A SER 165.A OG GLU 92.A OE2 no hydrogen 2.493 N/A SER 165.A OG GLU 168.A OE1 no hydrogen 3.420 N/A ILE 166.A N CYS 126.A O no hydrogen 2.792 N/A GLU 168.A N SER 165.A OG no hydrogen 3.399 N/A PHE 169.A N SER 165.A O no hydrogen 3.023 N/A ASP 170.A N ILE 166.A O no hydrogen 2.925 N/A VAL 171.A N PHE 167.A O no hydrogen 2.961 N/A PHE 172.A N GLU 168.A O no hydrogen 3.006 N/A THR 173.A N PHE 169.A O no hydrogen 3.059 N/A THR 173.A OG1 PHE 169.A O no hydrogen 2.936 N/A THR 173.A OG1 ASP 170.A O no hydrogen 3.312 N/A ARG 174.A N ASP 170.A O no hydrogen 3.065 N/A LEU 175.A N VAL 171.A O no hydrogen 3.035 N/A PHE 176.A N PHE 172.A O no hydrogen 3.097 N/A THR 181.A OG1 ASN 185.A OD1 no hydrogen 2.979 N/A LEU 182.A N TRP 179.A O no hydrogen 2.959 N/A ASN 185.A N THR 181.A O no hydrogen 2.759 N/A ASN 185.A ND2 THR 181.A OG1 no hydrogen 2.907 N/A TRP 186.A N LEU 182.A O no hydrogen 3.128 N/A TRP 186.A NE1 THR 155.A OG1 no hydrogen 2.875 N/A GLN 187.A N LEU 183.A O no hydrogen 2.881 N/A LEU 188.A N LYS 184.A O no hydrogen 2.964 N/A LEU 189.A N ASN 185.A O no hydrogen 3.019 N/A ALA 190.A N TRP 186.A O no hydrogen 2.861 N/A VAL 191.A N GLN 187.A O no hydrogen 3.297 N/A ASN 192.A N GLN 187.A O no hydrogen 2.857 N/A GLY 195.A N HIS 193.A ND1 no hydrogen 2.961 N/A TYR 196.A N HIS 193.A O no hydrogen 3.254 N/A MET 197.A N PHE 221.A O no hydrogen 2.911 N/A LEU 200.A N LEU 223.A O no hydrogen 3.321 N/A THR 201.A N GLU 204.A OE1 no hydrogen 2.945 N/A VAL 205.A N THR 201.A O no hydrogen 3.183 N/A GLN 206.A N TYR 202.A O no hydrogen 3.053 N/A GLU 207.A N ASP 203.A O no hydrogen 2.963 N/A ARG 208.A N GLU 204.A O no hydrogen 2.860 N/A ARG 208.A NE ASP 269.A OD1 no hydrogen 3.043 N/A ARG 208.A NH2 ASP 269.A OD1 no hydrogen 3.563 N/A ARG 208.A NH2 ASP 269.A OD2 no hydrogen 2.554 N/A LEU 209.A N VAL 205.A O no hydrogen 3.004 N/A GLN 210.A N GLU 207.A O no hydrogen 3.263 N/A GLN 210.A NE2 GLN 206.A O no hydrogen 3.321 N/A CYS 212.A N LEU 209.A O no hydrogen 3.184 N/A ARG 213.A N GLN 210.A O no hydrogen 3.168 N/A LYS 215.A N CYS 212.A O no hydrogen 2.819 N/A LYS 215.A NZ GLY 270.A O no hydrogen 3.413 N/A GLY 217.A N VAL 236.A O no hydrogen 2.943 N/A SER 218.A N LYS 215.A O no hydrogen 3.094 N/A SER 218.A OG LYS 215.A O no hydrogen 2.841 N/A TYR 219.A N TYR 267.A O no hydrogen 3.117 N/A TYR 219.A OH ASN 274.A OD1 no hydrogen 2.727 N/A ILE 220.A N GLY 234.A O no hydrogen 2.865 N/A PHE 221.A N GLY 195.A O no hydrogen 2.879 N/A ARG 222.A N ALA 232.A O no hydrogen 2.950 N/A ARG 222.A NH1 LEU 200.A O no hydrogen 2.913 N/A ARG 222.A NH2 GLN 244.A OE1 no hydrogen 2.677 N/A LEU 223.A N ALA 198.A O no hydrogen 2.841 N/A ARG 227.A N SER 224.A O no hydrogen 3.128 N/A ARG 227.A NH1 TRP 231.A O no hydrogen 3.244 N/A GLN 230.A N ARG 227.A O no hydrogen 3.198 N/A TRP 231.A NE1 LEU 175.A O no hydrogen 3.031 N/A ALA 232.A N ARG 222.A O no hydrogen 3.212 N/A ILE 233.A N THR 245.A O no hydrogen 2.899 N/A GLY 234.A N ILE 220.A O no hydrogen 3.068 N/A TYR 235.A N LEU 243.A O no hydrogen 2.860 N/A VAL 236.A N SER 218.A O no hydrogen 2.975 N/A SER 237.A N SER 241.A O no hydrogen 3.127 N/A SER 237.A OG SER 241.A O no hydrogen 3.256 N/A GLY 240.A N SER 237.A O no hydrogen 2.867 N/A LEU 243.A N TYR 235.A O no hydrogen 2.859 N/A THR 245.A N ILE 233.A O no hydrogen 2.789 N/A THR 245.A OG1 TYR 265.A OH no hydrogen 3.170 N/A GLN 254.A N PRO 251.A O no hydrogen 3.221 N/A VAL 255.A N PRO 251.A O no hydrogen 3.360 N/A LEU 256.A N LEU 252.A O no hydrogen 2.983 N/A LEU 257.A N SER 253.A O no hydrogen 2.928 N/A GLU 258.A N GLN 254.A O no hydrogen 2.949 N/A GLY 259.A N VAL 255.A O no hydrogen 3.021 N/A GLN 260.A N LEU 256.A O no hydrogen 2.829 N/A GLN 260.A N LEU 257.A O no hydrogen 3.018 N/A LYS 261.A N LEU 257.A O no hydrogen 2.868 N/A GLY 263.A N GLN 260.A O no hydrogen 3.234 N/A PHE 264.A N GLY 259.A O no hydrogen 2.926 N/A TYR 265.A N GLY 259.A O no hydrogen 2.920 N/A TYR 265.A OH THR 245.A OG1 no hydrogen 3.170 N/A LEU 266.A N GLY 217.A O no hydrogen 2.818 N/A TYR 267.A N GLY 217.A O no hydrogen 3.007 N/A ASP 269.A N TYR 219.A O no hydrogen 2.795 N/A GLY 270.A N TYR 267.A O no hydrogen 2.770 N/A LYS 271.A N PRO 268.A O no hydrogen 2.881 N/A ASN 274.A ND2 GLN 260.A OE1 no hydrogen 3.132 N/A THR 278.A N ASP 276.A OD1 no hydrogen 2.854 N/A THR 278.A OG1 ASP 276.A OD1 no hydrogen 2.600 N/A THR 278.A OG1 ASP 276.A OD2 no hydrogen 3.432 N/A