Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ccs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N CYS 36.A O no hydrogen 2.921 N/A LEU 4.A N LEU 56.A O no hydrogen 2.926 N/A ILE 5.A N ARG 38.A O no hydrogen 2.927 N/A VAL 6.A N TYR 58.A O no hydrogen 2.985 N/A ALA 7.A N ALA 40.A O no hydrogen 2.893 N/A GLN 10.A N GLN 17.A OE1 no hydrogen 2.890 N/A GLN 10.A NE2 GLY 9.A O GLN 10.A HE21 2.938 2.010 ALA 15.A N ASP 13.A OD1 no hydrogen 3.022 N/A GLN 17.A NE2 GLN 10.A O GLN 17.A HE22 2.975 1.988 GLN 17.A NE2 ASP 13.A O GLN 17.A HE21 3.552 2.750 GLN 18.A N PRO 14.A O no hydrogen 2.896 N/A GLN 18.A NE2 GLU 22.A OE2 GLN 18.A HE21 3.016 2.039 GLN 18.A NE2 GLY 39.A O GLN 18.A HE22 3.013 2.248 ARG 19.A N ALA 15.A O no hydrogen 2.986 N/A ALA 20.A N PRO 16.A O no hydrogen 3.051 N/A ILE 21.A N GLN 17.A O no hydrogen 3.295 N/A GLU 22.A N GLN 18.A O no hydrogen 2.953 N/A ALA 23.A N ARG 19.A O no hydrogen 2.929 N/A LEU 24.A N ALA 20.A O no hydrogen 3.075 N/A ALA 25.A N ILE 21.A O no hydrogen 2.918 N/A ALA 26.A N GLU 22.A O no hydrogen 2.919 N/A ARG 27.A N ALA 23.A O no hydrogen 3.301 N/A ARG 27.A N LEU 24.A O no hydrogen 3.031 N/A VAL 28.A N LEU 24.A O no hydrogen 3.086 N/A ALA 29.A N ALA 25.A O no hydrogen 2.872 N/A LEU 31.A N VAL 28.A O no hydrogen 2.913 N/A VAL 32.A N ALA 29.A O no hydrogen 3.129 N/A GLN 34.A N GLN 34.A OE1 no hydrogen 2.803 N/A ALA 35.A N VAL 32.A O no hydrogen 3.091 N/A CYS 36.A N ARG 1.A O no hydrogen 2.710 N/A ARG 38.A N VAL 3.A O no hydrogen 2.925 N/A ARG 38.A NH1 VAL 37.A O no hydrogen 2.979 N/A ALA 40.A N ILE 5.A O no hydrogen 2.862 N/A THR 41.A N GLN 18.A OE1 no hydrogen 3.057 N/A LEU 42.A N ALA 7.A O no hydrogen 2.940 N/A ALA 43.A N THR 41.A OG1 no hydrogen 3.249 N/A MET 44.A N THR 41.A O no hydrogen 3.051 N/A ALA 47.A N MET 44.A O no hydrogen 3.214 N/A ASP 49.A N GLY 46.A O no hydrogen 3.322 N/A ALA 51.A N LEU 48.A O no hydrogen 3.208 N/A ASP 52.A N THR 55.A OG1 no hydrogen 2.970 N/A GLU 54.A N ASP 52.A OD1 no hydrogen 3.255 N/A THR 55.A N ASP 52.A O no hydrogen 3.068 N/A THR 55.A OG1 ASP 52.A O no hydrogen 3.361 N/A THR 55.A OG1 ASP 52.A OD1 no hydrogen 2.823 N/A LEU 56.A N ASN 2.A O no hydrogen 2.823 N/A ILE 57.A N ARG 85.A O no hydrogen 2.767 N/A TYR 58.A N LEU 4.A O no hydrogen 2.925 N/A TYR 58.A OH ASP 93.A OD2 no hydrogen 2.822 N/A LEU 60.A N VAL 6.A O no hydrogen 2.801 N/A GLY 65.A N THR 68.A OG1 no hydrogen 2.944 N/A THR 68.A OG1 GLY 65.A O no hydrogen 3.074 N/A ARG 69.A N GLY 65.A O no hydrogen 2.906 N/A SER 70.A N TRP 66.A O no hydrogen 2.808 N/A GLU 71.A N TRP 66.A O no hydrogen 3.060 N/A LEU 72.A N PHE 67.A O no hydrogen 2.751 N/A ARG 74.A N SER 70.A O no hydrogen 3.159 N/A ARG 74.A NE GLU 71.A OE1 no hydrogen 3.295 N/A ARG 74.A NH2 GLU 71.A OE2 no hydrogen 3.186 N/A ARG 75.A N GLU 71.A O no hydrogen 2.851 N/A ARG 75.A NE GLU 71.A OE2 no hydrogen 2.798 N/A ARG 75.A NH2 GLU 71.A OE2 no hydrogen 2.952 N/A LEU 76.A N LEU 72.A O no hydrogen 3.009 N/A ALA 77.A N PRO 73.A O no hydrogen 2.827 N/A LEU 78.A N ARG 74.A O no hydrogen 3.187 N/A ALA 81.A N LEU 76.A O no hydrogen 2.854 N/A LYS 83.A N ASP 53.A OD1 no hydrogen 2.806 N/A ALA 84.A N ALA 81.A O no hydrogen 3.412 N/A ARG 85.A N THR 55.A O no hydrogen 3.224 N/A ARG 85.A NH1 ALA 224.A O no hydrogen 2.810 N/A LEU 87.A N ILE 57.A O no hydrogen 2.809 N/A PHE 90.A N PRO 59.A O no hydrogen 3.038 N/A GLY 91.A N PHE 61.A O no hydrogen 2.910 N/A SER 92.A N PRO 89.A O no hydrogen 2.932 N/A SER 92.A OG.A PRO 89.A O no hydrogen 2.982 N/A ASP 93.A N PHE 90.A O no hydrogen 3.127 N/A GLY 95.A N ASP 93.A OD1 no hydrogen 3.055 N/A LEU 96.A N ASP 93.A O no hydrogen 3.087 N/A LEU 99.A N GLY 95.A O no hydrogen 3.102 N/A CYS 100.A N LEU 96.A O no hydrogen 3.017 N/A CYS 100.A SG LEU 96.A O no hydrogen 3.401 N/A LEU 101.A N PRO 97.A O no hydrogen 3.076 N/A ALA 102.A N ALA 98.A O no hydrogen 2.923 N/A LEU 103.A N LEU 99.A O no hydrogen 2.981 N/A ILE 104.A N CYS 100.A O no hydrogen 3.062 N/A ALA 105.A N LEU 101.A O no hydrogen 2.875 N/A GLN 106.A N ALA 102.A O no hydrogen 2.926 N/A ALA 107.A N LEU 103.A O no hydrogen 2.983 N/A ALA 108.A N ILE 104.A O no hydrogen 2.924 N/A GLU 109.A N ALA 105.A O no hydrogen 3.118 N/A THR 110.A N GLN 106.A O no hydrogen 3.060 N/A THR 110.A OG1 ALA 107.A O no hydrogen 2.810 N/A GLN 111.A N ALA 107.A O no hydrogen 3.177 N/A GLY 112.A N GLU 109.A O no hydrogen 3.199 N/A TRP 113.A N ALA 108.A O no hydrogen 2.950 N/A GLY 117.A N PRO 114.A O no hydrogen 3.004 N/A THR 118.A N LEU 115.A O no hydrogen 3.088 N/A THR 118.A OG1 PRO 114.A O no hydrogen 2.913 N/A ARG 119.A N ARG 172.A O no hydrogen 3.112 N/A ARG 119.A NH1 THR 152.A OG1 no hydrogen 2.744 N/A ARG 119.A NH2 THR 152.A OG1 no hydrogen 3.187 N/A LEU 120.A N ALA 150.A O no hydrogen 2.887 N/A LEU 121.A N ILE 174.A O no hydrogen 2.923 N/A VAL 122.A N THR 152.A O no hydrogen 2.874 N/A ALA 123.A N LEU 176.A O no hydrogen 3.033 N/A ALA 124.A N GLY 154.A O no hydrogen 2.990 N/A HIS 125.A ND1 ASP 188.A OD2 no hydrogen 2.685 N/A SER 127.A N GLU 158.A OE2 no hydrogen 2.787 N/A ARG 129.A N SER 127.A OG no hydrogen 3.209 N/A SER 130.A N SER 127.A OG no hydrogen 3.144 N/A ALA 132.A N SER 130.A OG no hydrogen 3.108 N/A SER 134.A OG ARG 131.A O no hydrogen 3.331 N/A SER 134.A OG GLU 158.A OE1 no hydrogen 3.080 N/A GLU 135.A N ARG 131.A O no hydrogen 3.113 N/A ALA 136.A N ALA 132.A O no hydrogen 3.004 N/A ALA 137.A N PRO 133.A O no hydrogen 2.985 N/A ARG 138.A N SER 134.A O no hydrogen 2.947 N/A ARG 138.A NH2 GLU 135.A OE2 no hydrogen 2.814 N/A ARG 139.A N GLU 135.A O no hydrogen 2.936 N/A ILE 140.A N ALA 136.A O no hydrogen 3.138 N/A ALA 141.A N ALA 137.A O no hydrogen 2.981 N/A ALA 142.A N ARG 138.A O no hydrogen 2.827 N/A GLY 143.A N ARG 139.A O no hydrogen 3.071 N/A GLY 143.A N ILE 140.A O no hydrogen 3.029 N/A LEU 144.A N ILE 140.A O no hydrogen 3.062 N/A LEU 144.A N ALA 141.A O no hydrogen 3.113 N/A ALA 145.A N ALA 141.A O no hydrogen 2.907 N/A TYR 147.A N LEU 144.A O no hydrogen 2.981 N/A ALA 148.A N ALA 145.A O no hydrogen 3.248 N/A ALA 149.A N THR 118.A O no hydrogen 2.950 N/A THR 152.A N LEU 120.A O no hydrogen 3.028 N/A GLY 154.A N VAL 122.A O no hydrogen 3.007 N/A PHE 155.A N PRO 160.A O no hydrogen 2.866 N/A ILE 156.A N ALA 124.A O no hydrogen 3.170 N/A ILE 156.A N HIS 125.A O no hydrogen 3.266 N/A GLU 157.A N HIS 125.A O no hydrogen 2.931 N/A ILE 162.A N PHE 155.A O no hydrogen 2.842 N/A ASP 164.A N PHE 161.A O no hydrogen 2.919 N/A ALA 165.A N PHE 161.A O no hydrogen 2.902 N/A ALA 166.A N ILE 162.A O no hydrogen 3.009 N/A ARG 167.A N ASP 164.A O no hydrogen 3.194 N/A ARG 167.A NH1 ASP 164.A OD1 no hydrogen 3.254 N/A ARG 167.A NH2 GLN 196.A O no hydrogen 3.192 N/A ALA 173.A N GLU 171.A O no hydrogen 3.029 N/A ILE 174.A N ARG 119.A O no hydrogen 2.935 N/A CYS 175.A N LEU 202.A O no hydrogen 2.799 N/A CYS 175.A SG LEU 121.A O no hydrogen 3.716 N/A LEU 176.A N LEU 121.A O no hydrogen 2.957 N/A LEU 178.A N ALA 123.A O no hydrogen 2.697 N/A THR 181.A OG1 GLU 184.A OE1 no hydrogen 2.765 N/A GLU 184.A N THR 181.A OG1 no hydrogen 3.173 N/A HIS 185.A N THR 181.A O no hydrogen 3.154 N/A HIS 185.A ND1 GLN 182.A OE1 no hydrogen 2.816 N/A VAL 186.A N GLN 182.A O no hydrogen 2.854 N/A THR 187.A N ALA 183.A O no hydrogen 3.224 N/A THR 187.A OG1 GLN 10.A OE1 no hydrogen 2.732 N/A THR 187.A OG1 ALA 183.A O no hydrogen 2.995 N/A ASP 188.A N HIS 185.A O no hydrogen 3.204 N/A ASP 189.A N VAL 186.A O no hydrogen 3.029 N/A ALA 192.A N ASP 189.A O no hydrogen 3.225 N/A ALA 193.A N ASP 189.A O no hydrogen 3.450 N/A LEU 194.A N LEU 190.A O no hydrogen 2.844 N/A SER 195.A N PRO 191.A O no hydrogen 2.909 N/A GLN 196.A N ALA 192.A O no hydrogen 3.030 N/A ALA 197.A N ALA 193.A O no hydrogen 3.106 N/A GLY 198.A N SER 195.A O no hydrogen 3.021 N/A PHE 199.A N LEU 194.A O no hydrogen 2.991 N/A LEU 202.A N ALA 173.A O no hydrogen 2.914 N/A LEU 204.A N CYS 175.A O no hydrogen 2.894 N/A VAL 207.A N PRO 177.A O no hydrogen 3.035 N/A GLY 208.A N PHE 179.A O no hydrogen 2.935 N/A LEU 209.A N PRO 206.A O no hydrogen 3.177 N/A ALA 210.A N VAL 207.A O no hydrogen 3.034 N/A GLN 212.A N GLN 212.A OE1 no hydrogen 2.787 N/A VAL 213.A N ALA 210.A O no hydrogen 3.193 N/A MET 216.A N GLN 212.A O no hydrogen 3.139 N/A ILE 217.A N VAL 213.A O no hydrogen 2.963 N/A ALA 218.A N PRO 214.A O no hydrogen 2.907 N/A GLU 219.A N ALA 215.A O no hydrogen 3.001 N/A SER 220.A N MET 216.A O no hydrogen 3.228 N/A SER 220.A OG ASP 93.A OD2 no hydrogen 2.650 N/A SER 220.A OG MET 216.A O no hydrogen 3.520 N/A ILE 221.A N ILE 217.A O no hydrogen 2.964 N/A LYS 222.A N ALA 218.A O no hydrogen 2.913 N/A LYS 222.A NZ GLU 219.A OE2 no hydrogen 3.093 N/A ALA 223.A N GLU 219.A O no hydrogen 3.095 N/A ALA 224.A N ILE 221.A O no hydrogen 2.914 N/A LEU 225.A N LYS 222.A O no hydrogen 3.359 N/A