Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4x2r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N ASP 211.A O no hydrogen 3.043 N/A LEU 6.A N ALA 213.A O no hydrogen 2.822 N/A ALA 8.A N VAL 215.A O no hydrogen 2.957 N/A VAL 9.A N HIS 49.A O no hydrogen 2.847 N/A VAL 11.A N VAL 51.A O no hydrogen 2.814 N/A ALA 12.A N LYS 15.A O no hydrogen 2.980 N/A ASP 13.A N ASP 54.A OD2 no hydrogen 2.794 N/A GLY 14.A N ASN 62.A OD1 no hydrogen 2.949 N/A LYS 15.A N ALA 12.A O no hydrogen 2.963 N/A LYS 15.A NZ ASP 29.A OD1 no hydrogen 3.055 N/A LYS 15.A NZ ASP 29.A OD2 no hydrogen 2.713 N/A ALA 16.A N GLY 31.A O no hydrogen 2.803 N/A VAL 17.A N ASP 10.A O no hydrogen 2.877 N/A ARG 18.A N THR 28.A O no hydrogen 3.052 N/A LEU 20.A N SER 26.A OG no hydrogen 2.877 N/A GLN 21.A N ASP 165.A O.A no hydrogen 2.810 N/A GLN 21.A N ASP 165.A O.B no hydrogen 2.731 N/A GLN 21.A NE2 THR 163.A O no hydrogen 2.881 N/A GLU 23.A N LEU 20.A O no hydrogen 3.096 N/A SER 26.A N GLU 23.A O no hydrogen 3.070 N/A SER 26.A OG LEU 20.A O no hydrogen 3.389 N/A SER 26.A OG GLU 23.A O no hydrogen 2.499 N/A THR 28.A N ARG 18.A O no hydrogen 2.913 N/A TYR 30.A N ALA 16.A O no hydrogen 2.759 N/A GLY 31.A N ASP 29.A OD1 no hydrogen 2.816 N/A GLU 35.A N.A SER 32.A OG no hydrogen 3.097 N/A GLU 35.A N.B SER 32.A OG no hydrogen 3.110 N/A ALA 36.A N SER 32.A O no hydrogen 3.064 N/A ALA 37.A N PRO 33.A O no hydrogen 2.970 N/A ARG 38.A N ILE 34.A O no hydrogen 2.930 N/A ARG 38.A NE GLU 72.A OE2 no hydrogen 2.789 N/A ARG 38.A NH1 GLU 72.A OE1 no hydrogen 3.072 N/A ARG 38.A NH1 GLU 72.A OE2 no hydrogen 3.125 N/A ASP 39.A N GLU 35.A O.A no hydrogen 2.917 N/A ASP 39.A N GLU 35.A O.B no hydrogen 2.931 N/A TRP 40.A N ALA 36.A O no hydrogen 3.025 N/A TRP 40.A NE1 ALA 8.A O no hydrogen 3.138 N/A VAL 41.A N ALA 37.A O no hydrogen 3.033 N/A GLU 42.A N ARG 38.A O no hydrogen 2.943 N/A ALA 43.A N ASP 39.A O no hydrogen 3.028 N/A ALA 43.A N TRP 40.A O no hydrogen 3.232 N/A GLY 44.A N VAL 41.A O no hydrogen 2.996 N/A ALA 45.A N TRP 40.A O no hydrogen 3.134 N/A ILE 48.A N LYS 76.A O no hydrogen 2.982 N/A HIS 49.A N PRO 7.A O no hydrogen 2.992 N/A HIS 49.A ND1 GLU 78.A OE1 no hydrogen 2.571 N/A LEU 50.A N GLU 78.A O no hydrogen 2.818 N/A VAL 51.A N VAL 9.A O no hydrogen 2.918 N/A ASP 52.A N SER 80.A O no hydrogen 2.899 N/A LEU 53.A N VAL 11.A O no hydrogen 2.847 N/A ALA 55.A N ASP 52.A OD1 no hydrogen 3.076 N/A ALA 56.A N ASP 52.A O no hydrogen 2.869 N/A PHE 57.A N LEU 53.A O no hydrogen 3.002 N/A GLY 58.A N ALA 55.A O no hydrogen 2.927 N/A ARG 59.A N ASP 54.A O no hydrogen 2.870 N/A SER 61.A OG ASP 52.A OD2 no hydrogen 3.355 N/A ASN 62.A N ASP 52.A OD2 no hydrogen 2.739 N/A ASN 62.A ND2 ASP 52.A OD1 no hydrogen 2.959 N/A ASN 62.A ND2 ASP 54.A OD2 no hydrogen 2.883 N/A ALA 63.A N SER 61.A OG no hydrogen 3.091 N/A LEU 66.A N ASN 62.A O no hydrogen 3.104 N/A GLU 67.A N ALA 63.A O no hydrogen 2.874 N/A ARG 68.A N PRO 64.A O no hydrogen 2.963 N/A ILE 69.A N LEU 65.A O no hydrogen 3.109 N/A VAL 70.A N LEU 66.A O no hydrogen 2.930 N/A GLY 71.A N GLU 67.A O no hydrogen 2.982 N/A GLU 72.A N ARG 68.A O no hydrogen 2.996 N/A GLU 72.A N ILE 69.A O no hydrogen 3.180 N/A VAL 73.A N.A ILE 69.A O no hydrogen 3.060 N/A VAL 73.A N.B ILE 69.A O no hydrogen 3.053 N/A LYS 76.A N GLU 46.A O.A no hydrogen 3.282 N/A LYS 76.A N GLU 46.A O.B no hydrogen 3.220 N/A GLU 78.A N ILE 48.A O no hydrogen 2.907 N/A LEU 79.A N ARG 99.A O no hydrogen 2.913 N/A SER 80.A N LEU 50.A O no hydrogen 2.945 N/A ARG 84.A N.A SER 88.A OG no hydrogen 3.041 N/A ARG 84.A N.B SER 88.A OG no hydrogen 2.921 N/A ARG 84.A NH1.A ALA 55.A O no hydrogen 2.936 N/A ASP 85.A N SER 88.A OG no hydrogen 3.119 N/A SER 88.A N ASP 85.A OD1 no hydrogen 2.986 N/A SER 88.A OG GLY 82.A O no hydrogen 3.298 N/A SER 88.A OG ASP 85.A O no hydrogen 3.112 N/A SER 88.A OG ASP 85.A OD1 no hydrogen 2.732 N/A LEU 89.A N ASP 85.A O no hydrogen 2.964 N/A THR 90.A N ASP 86.A O no hydrogen 2.833 N/A THR 90.A OG1 ASP 86.A O no hydrogen 2.829 N/A ARG 91.A N ALA 87.A O no hydrogen 2.952 N/A ARG 91.A NE GLU 67.A OE2 no hydrogen 2.868 N/A ARG 91.A NH2 GLU 67.A OE1 no hydrogen 2.949 N/A ARG 91.A NH2 GLU 67.A OE2 no hydrogen 3.469 N/A ALA 92.A N SER 88.A O no hydrogen 3.011 N/A LEU 93.A N LEU 89.A O no hydrogen 2.979 N/A LYS 94.A N THR 90.A O no hydrogen 2.882 N/A ALA 95.A N ARG 91.A O no hydrogen 2.952 N/A GLY 96.A N LEU 93.A O no hydrogen 2.991 N/A ALA 97.A N ALA 92.A O no hydrogen 3.408 N/A ALA 98.A N VAL 77.A O no hydrogen 2.856 N/A ARG 99.A N VAL 77.A O no hydrogen 3.301 N/A ARG 99.A NE GLU 78.A OE2 no hydrogen 2.725 N/A ARG 99.A NH1 GLU 78.A OE2 no hydrogen 3.003 N/A VAL 100.A N.A LYS 123.A O no hydrogen 2.791 N/A VAL 100.A N.B LYS 123.A O no hydrogen 2.803 N/A ASN 101.A N LEU 79.A O no hydrogen 2.902 N/A ASN 101.A ND2 GLU 78.A OE2 no hydrogen 2.952 N/A LEU 102.A N ALA 125.A O no hydrogen 2.910 N/A ALA 106.A N GLY 103.A O no hydrogen 3.006 N/A LEU 107.A N THR 104.A O no hydrogen 2.913 N/A GLU 108.A N THR 104.A O no hydrogen 2.827 N/A ASP 109.A N ALA 105.A O no hydrogen 2.800 N/A TRP 112.A N ASP 109.A OD1 no hydrogen 3.190 N/A TRP 112.A NE1 ASP 86.A OD1 no hydrogen 2.799 N/A THR 113.A N ASP 109.A O no hydrogen 2.969 N/A THR 113.A OG1 ALA 105.A O no hydrogen 3.003 N/A THR 113.A OG1 ASP 109.A O no hydrogen 3.025 N/A ALA 114.A N PRO 110.A O no hydrogen 2.935 N/A ARG 115.A N GLN 111.A O no hydrogen 3.038 N/A VAL 116.A N.A TRP 112.A O no hydrogen 2.884 N/A VAL 116.A N.B TRP 112.A O no hydrogen 2.925 N/A ILE 117.A N THR 113.A O no hydrogen 2.965 N/A ALA 118.A N ALA 114.A O no hydrogen 3.025 N/A GLU 119.A N ARG 115.A O no hydrogen 3.024 N/A HIS 120.A N VAL 116.A O.A no hydrogen 2.892 N/A HIS 120.A N VAL 116.A O.B no hydrogen 2.982 N/A GLY 121.A N ILE 117.A O no hydrogen 3.111 N/A LYS 123.A N HIS 120.A O no hydrogen 3.046 N/A ILE 124.A N GLY 121.A O no hydrogen 3.070 N/A ALA 125.A N VAL 100.A O.A no hydrogen 2.823 N/A ALA 125.A N VAL 100.A O.B no hydrogen 3.080 N/A VAL 126.A N ARG 156.A O no hydrogen 3.006 N/A GLY 127.A N LEU 102.A O no hydrogen 2.775 N/A LEU 128.A N VAL 158.A O no hydrogen 2.771 N/A VAL 130.A N THR 160.A O no hydrogen 2.804 N/A ARG 131.A N.A THR 134.A O no hydrogen 2.870 N/A ARG 131.A N.B THR 134.A O no hydrogen 2.867 N/A THR 134.A N ARG 131.A O.A no hydrogen 3.115 N/A THR 134.A N ARG 131.A O.B no hydrogen 2.907 N/A LEU 135.A N GLY 140.A O no hydrogen 2.792 N/A ALA 136.A N ASP 129.A O no hydrogen 2.780 N/A LEU 142.A N THR 133.A O no hydrogen 2.887 N/A GLN 144.A N ASP 141.A OD2 no hydrogen 2.881 N/A THR 145.A N ASP 141.A O no hydrogen 3.068 N/A THR 145.A OG1 ASP 141.A O no hydrogen 2.844 N/A LEU 146.A N.A LEU 142.A O no hydrogen 2.866 N/A LEU 146.A N.B LEU 142.A O no hydrogen 2.878 N/A ASP 147.A N TRP 143.A O no hydrogen 3.019 N/A ARG 148.A N GLN 144.A O no hydrogen 3.074 N/A ARG 148.A NH1 ALA 106.A O no hydrogen 3.120 N/A ARG 148.A NH2 ALA 106.A O no hydrogen 2.704 N/A LEU 149.A N THR 145.A O no hydrogen 2.939 N/A ASN 150.A N LEU 146.A O.A no hydrogen 2.859 N/A ASN 150.A N LEU 146.A O.B no hydrogen 2.785 N/A ASN 150.A ND2 ARG 182.A O.A no hydrogen 2.984 N/A ASN 150.A ND2 ARG 182.A O.B no hydrogen 2.863 N/A GLU 151.A N ASP 147.A O no hydrogen 2.969 N/A ALA 152.A N ARG 148.A O no hydrogen 2.954 N/A GLY 153.A N ASN 150.A O no hydrogen 2.981 N/A CYS 154.A N LEU 149.A O no hydrogen 2.991 N/A CYS 154.A SG ARG 156.A O no hydrogen 3.274 N/A ARG 156.A NH1 ASP 211.A OD1 no hydrogen 2.773 N/A ARG 156.A NH1 ASP 211.A OD2 no hydrogen 3.513 N/A ARG 156.A NH2 ASP 211.A OD2 no hydrogen 2.863 N/A TYR 157.A N PRO 186.A O no hydrogen 3.056 N/A TYR 157.A OH ASN 150.A OD1 no hydrogen 2.764 N/A VAL 158.A N VAL 126.A O no hydrogen 2.866 N/A VAL 159.A N VAL 188.A O no hydrogen 2.888 N/A THR 160.A N LEU 128.A O no hydrogen 2.945 N/A THR 160.A OG1 SER 190.A OG no hydrogen 3.143 N/A VAL 162.A N.A VAL 130.A O no hydrogen 2.911 N/A VAL 162.A N.B VAL 130.A O no hydrogen 2.916 N/A THR 163.A N ASP 161.A OD1 no hydrogen 2.939 N/A THR 163.A OG1 ASP 161.A OD1 no hydrogen 2.810 N/A LYS 164.A N ASP 161.A O no hydrogen 2.944 N/A LYS 164.A NZ THR 169.A OG1 no hydrogen 2.951 N/A LYS 164.A NZ GLY 170.A O no hydrogen 2.834 N/A ASP 165.A N.A ASP 161.A O no hydrogen 3.099 N/A ASP 165.A N.A VAL 162.A O.B no hydrogen 3.259 N/A ASP 165.A N.B ASP 161.A O no hydrogen 3.115 N/A ASP 165.A N.B VAL 162.A O.B no hydrogen 3.218 N/A THR 167.A N LYS 164.A O no hydrogen 2.991 N/A THR 167.A OG1 LYS 164.A O no hydrogen 2.663 N/A THR 167.A OG1 THR 169.A OG1 no hydrogen 2.676 N/A THR 169.A N THR 167.A OG1 no hydrogen 3.300 N/A THR 169.A OG1 THR 167.A OG1 no hydrogen 2.676 N/A GLY 170.A N GLY 192.A O no hydrogen 2.751 N/A ASN 172.A ND2 ASP 161.A OD2 no hydrogen 2.812 N/A LEU 175.A N ASN 172.A OD1 no hydrogen 2.943 N/A LEU 176.A N ASN 172.A O no hydrogen 3.112 N/A ARG 177.A N THR 173.A O no hydrogen 2.913 N/A ARG 177.A NH1 THR 173.A OG1 no hydrogen 3.060 N/A ARG 177.A NH2 THR 173.A OG1 no hydrogen 3.359 N/A GLN 178.A N GLU 174.A O no hydrogen 2.884 N/A VAL 179.A N LEU 175.A O no hydrogen 2.898 N/A ALA 180.A N LEU 176.A O no hydrogen 2.916 N/A ALA 181.A N ARG 177.A O no hydrogen 3.003 N/A ARG 182.A N.A VAL 179.A O no hydrogen 2.883 N/A ARG 182.A N.B VAL 179.A O no hydrogen 2.913 N/A ARG 182.A NE.A ASP 147.A OD1 no hydrogen 3.056 N/A ARG 182.A NH2.A ASP 147.A OD1 no hydrogen 3.522 N/A ARG 182.A NH2.A ASP 147.A OD2 no hydrogen 2.791 N/A THR 183.A N ALA 180.A O no hydrogen 3.483 N/A THR 183.A OG1 ASN 150.A OD1 no hydrogen 2.794 N/A ALA 185.A N THR 183.A OG1 no hydrogen 3.016 N/A VAL 187.A N GLY 209.A O no hydrogen 2.895 N/A VAL 188.A N TYR 157.A O no hydrogen 2.789 N/A ALA 189.A N SER 212.A O.A no hydrogen 2.886 N/A ALA 189.A N SER 212.A O.B no hydrogen 2.880 N/A SER 190.A N VAL 159.A O no hydrogen 3.049 N/A SER 190.A OG THR 160.A OG1 no hydrogen 3.143 N/A SER 194.A N ASP 198.A OD2 no hydrogen 2.760 N/A SER 194.A OG ASP 198.A OD2 no hydrogen 2.762 N/A ASP 198.A N SER 195.A OG no hydrogen 2.954 N/A ILE 199.A N.A SER 195.A O no hydrogen 3.264 N/A ILE 199.A N.A LEU 196.A O no hydrogen 3.079 N/A ILE 199.A N.B SER 195.A O no hydrogen 3.236 N/A ALA 200.A N LEU 196.A O no hydrogen 2.998 N/A ALA 201.A N GLU 197.A O.A no hydrogen 2.904 N/A ALA 201.A N GLU 197.A O.B no hydrogen 2.955 N/A LEU 202.A N ASP 198.A O no hydrogen 2.969 N/A ALA 203.A N ILE 199.A O.A no hydrogen 2.882 N/A ALA 203.A N ILE 199.A O.B no hydrogen 2.882 N/A ARG 204.A N ALA 200.A O no hydrogen 3.233 N/A ARG 204.A N ALA 201.A O no hydrogen 3.291 N/A ARG 204.A NH1 GLU 197.A OE2.A no hydrogen 2.972 N/A LEU 205.A N LEU 202.A O no hydrogen 2.877 N/A VAL 206.A N ALA 203.A O no hydrogen 3.401 N/A GLN 208.A N LEU 205.A O no hydrogen 2.921 N/A GLY 209.A N VAL 206.A O no hydrogen 2.902 N/A VAL 210.A N LEU 205.A O no hydrogen 3.330 N/A ASP 211.A N VAL 187.A O no hydrogen 3.031 N/A SER 212.A OG.A ASP 211.A OD1 no hydrogen 2.818 N/A SER 212.A OG.B ASP 211.A OD1 no hydrogen 2.825 N/A ALA 213.A N THR 4.A O no hydrogen 2.932 N/A ILE 214.A N ALA 189.A O no hydrogen 2.839 N/A VAL 215.A N LEU 6.A O no hydrogen 3.114 N/A LYS 217.A NZ TYR 30.A OH no hydrogen 2.785 N/A LEU 219.A N GLY 216.A O no hydrogen 3.008 N/A TYR 220.A N GLY 216.A O no hydrogen 3.331 N/A TYR 220.A OH ALA 8.A O no hydrogen 2.644 N/A ASN 221.A N LYS 217.A O no hydrogen 2.771 N/A ASN 221.A ND2 ASN 223.A OD1 no hydrogen 2.853 N/A GLY 222.A N LEU 219.A O no hydrogen 3.054 N/A ASN 223.A N ALA 218.A O no hydrogen 2.932 N/A ASN 223.A ND2 SER 194.A O no hydrogen 2.866 N/A THR 225.A N GLN 228.A OE1 no hydrogen 2.812 N/A THR 225.A OG1 GLN 228.A OE1 no hydrogen 3.439 N/A GLN 228.A N THR 225.A OG1 no hydrogen 3.119 N/A GLN 228.A NE2 VAL 241.A O no hydrogen 2.873 N/A ALA 229.A N THR 225.A O no hydrogen 3.043 N/A LEU 230.A N LEU 226.A O no hydrogen 2.825 N/A ALA 231.A N PRO 227.A O no hydrogen 2.886 N/A VAL 232.A N GLN 228.A O no hydrogen 3.127 N/A ALA 233.A N ALA 229.A O no hydrogen 2.876 N/A GLY 234.A N LEU 230.A O no hydrogen 2.974 N/A GLY 234.A N ALA 231.A O no hydrogen 3.223 N/A GLY 235.A N VAL 232.A O no hydrogen 3.021 N/A ALA 236.A N ALA 231.A O no hydrogen 2.916 N/A ASP 240.A N ALA 237.A O no hydrogen 3.031 N/A VAL 241.A N ALA 237.A O no hydrogen 2.979 N/A GLN 242.A N VAL 238.A O no hydrogen 2.872 N/A GLN 242.A NE2 ALA 243.A OXT no hydrogen 2.855 N/A