Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3grr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A SG PRO 160.A O no hydrogen 3.339 N/A PHE 3.A N TYR 159.A O no hydrogen 2.990 N/A ILE 5.A N ALA 157.A O no hydrogen 2.845 N/A ASP 6.A N ALA 157.A O no hydrogen 3.180 N/A ASN 8.A N ASP 6.A OD1 no hydrogen 3.006 N/A ASN 8.A ND2 ASP 6.A OD1 no hydrogen 3.061 N/A PHE 9.A N ASP 6.A O no hydrogen 3.156 N/A VAL 10.A N ASP 6.A O no hydrogen 3.327 N/A ASN 11.A N LYS 7.A O no hydrogen 2.826 N/A LYS 12.A N ASN 8.A O no hydrogen 3.156 N/A ALA 13.A N PHE 9.A O no hydrogen 3.080 N/A VAL 14.A N VAL 10.A O no hydrogen 2.980 N/A GLU 15.A N ASN 11.A O no hydrogen 2.822 N/A SER 16.A N LYS 12.A O no hydrogen 3.092 N/A ALA 17.A N ALA 13.A O no hydrogen 3.165 N/A ALA 17.A N VAL 14.A O no hydrogen 2.971 N/A ASN 18.A N GLU 15.A O no hydrogen 3.154 N/A THR 20.A N ASP 23.A OD2 no hydrogen 3.022 N/A LYS 21.A NZ ALA 40.A O no hydrogen 3.368 N/A LYS 21.A NZ LYS 41.A O no hydrogen 3.090 N/A LYS 21.A NZ ALA 43.A O no hydrogen 2.917 N/A ASP 23.A N THR 20.A O no hydrogen 3.006 N/A VAL 24.A N ASN 87.A OD1 no hydrogen 2.882 N/A VAL 25.A N LYS 45.A O no hydrogen 2.960 N/A LEU 26.A N LYS 88.A O no hydrogen 2.806 N/A GLU 27.A N TYR 47.A O no hydrogen 2.685 N/A GLY 29.A N ILE 49.A O no hydrogen 2.643 N/A LEU 30.A N GLU 50.A OE1 no hydrogen 2.645 N/A LYS 32.A NZ TYR 58.A OH no hydrogen 2.800 N/A GLY 33.A N LEU 30.A O no hydrogen 2.990 N/A THR 36.A OG1 GLU 27.A OE1 no hydrogen 2.691 N/A THR 36.A OG1 GLU 27.A OE2 no hydrogen 3.549 N/A GLU 37.A N GLY 33.A O no hydrogen 2.971 N/A LEU 39.A N LEU 35.A O no hydrogen 3.026 N/A ALA 40.A N THR 36.A O no hydrogen 2.866 N/A LYS 41.A N GLU 37.A O no hydrogen 2.928 N/A LYS 41.A NZ GLU 38.A OE2 no hydrogen 2.953 N/A ASN 42.A N LEU 39.A O no hydrogen 3.109 N/A ASN 42.A ND2 GLU 38.A O no hydrogen 2.945 N/A ALA 43.A N LEU 39.A O no hydrogen 2.852 N/A LYS 44.A N ASP 23.A O no hydrogen 2.781 N/A LYS 45.A NZ GLU 70.A OE1 no hydrogen 3.052 N/A VAL 46.A N ASN 68.A O no hydrogen 2.916 N/A TYR 47.A N VAL 25.A O no hydrogen 2.891 N/A VAL 48.A N GLU 70.A O no hydrogen 2.869 N/A ILE 49.A N GLU 27.A O no hydrogen 2.953 N/A GLU 50.A N ILE 72.A O no hydrogen 2.987 N/A ASP 52.A N GLU 50.A OE2 no hydrogen 2.889 N/A SER 54.A N ASP 52.A OD1 no hydrogen 3.075 N/A SER 54.A OG ASP 52.A OD1 no hydrogen 2.558 N/A LEU 55.A N ASP 52.A O no hydrogen 3.180 N/A GLU 56.A N LYS 53.A O no hydrogen 3.036 N/A TYR 58.A N LEU 55.A O no hydrogen 3.021 N/A ALA 59.A N LEU 55.A O no hydrogen 3.387 N/A ASN 60.A N GLU 56.A O no hydrogen 2.709 N/A LYS 61.A N PRO 57.A O no hydrogen 3.168 N/A LEU 62.A N TYR 58.A O no hydrogen 3.069 N/A LYS 63.A N ALA 59.A O no hydrogen 3.104 N/A LEU 65.A N LEU 62.A O no hydrogen 3.035 N/A TYR 66.A N LEU 62.A O no hydrogen 2.856 N/A TYR 66.A OH GLU 37.A OE2 no hydrogen 2.686 N/A ASN 68.A ND2 ALA 40.A O no hydrogen 2.895 N/A ASN 68.A ND2 ALA 43.A O no hydrogen 3.256 N/A ASN 68.A ND2 LYS 44.A O no hydrogen 3.238 N/A GLU 70.A N VAL 46.A O no hydrogen 2.892 N/A ILE 72.A N VAL 48.A O no hydrogen 2.706 N/A GLY 74.A N GLU 50.A O no hydrogen 2.824 N/A LEU 77.A N ASP 75.A OD1 no hydrogen 3.025 N/A LYS 78.A N ASP 75.A O no hydrogen 2.821 N/A VAL 79.A N ASP 75.A O no hydrogen 3.114 N/A ASN 82.A N ASP 80.A OD1 no hydrogen 3.159 N/A LYS 83.A N ASP 80.A O no hydrogen 3.142 N/A LEU 84.A N LEU 81.A O no hydrogen 3.014 N/A ASN 87.A N VAL 24.A O no hydrogen 2.915 N/A ASN 87.A ND2 ASP 23.A OD1 no hydrogen 3.000 N/A ASN 87.A ND2 ASP 111.A OD2 no hydrogen 3.238 N/A LYS 88.A N VAL 24.A O no hydrogen 3.165 N/A LYS 88.A NZ ALA 17.A O no hydrogen 2.836 N/A LYS 88.A NZ ASP 23.A OD2 no hydrogen 2.770 N/A VAL 89.A N LEU 112.A O no hydrogen 3.149 N/A VAL 90.A N LEU 26.A O no hydrogen 3.040 N/A ALA 91.A N VAL 114.A O no hydrogen 3.117 N/A ASN 92.A ND2 CYS 2.A O no hydrogen 3.556 N/A ILE 97.A N PRO 94.A O no hydrogen 3.013 N/A SER 98.A N TYR 95.A O no hydrogen 3.149 N/A SER 98.A OG TYR 95.A O no hydrogen 2.703 N/A ILE 101.A N ILE 97.A O no hydrogen 3.008 N/A THR 102.A N SER 98.A O no hydrogen 3.170 N/A THR 102.A OG1 SER 98.A O no hydrogen 2.476 N/A THR 102.A OG1 TYR 117.A OH no hydrogen 2.825 N/A PHE 103.A N SER 99.A O no hydrogen 3.287 N/A LYS 104.A N PRO 100.A O no hydrogen 2.961 N/A LYS 104.A NZ ALA 76.A O no hydrogen 2.716 N/A LYS 104.A NZ VAL 79.A O no hydrogen 2.650 N/A LEU 105.A N ILE 101.A O no hydrogen 2.831 N/A ILE 106.A N THR 102.A O no hydrogen 2.928 N/A LYS 107.A N PHE 103.A O no hydrogen 2.747 N/A ARG 108.A N LYS 104.A O no hydrogen 3.100 N/A ARG 108.A NE LEU 81.A O no hydrogen 2.865 N/A ARG 108.A NH1 ARG 108.A O no hydrogen 2.971 N/A ARG 108.A NH2 LEU 84.A O no hydrogen 2.702 N/A GLY 109.A N LEU 105.A O no hydrogen 2.793 N/A ASP 111.A N ASN 87.A O no hydrogen 2.690 N/A ALA 113.A N ILE 171.A O no hydrogen 2.850 N/A VAL 114.A N VAL 89.A O no hydrogen 2.788 N/A LEU 115.A N VAL 169.A O no hydrogen 2.921 N/A MET 116.A N ALA 91.A O no hydrogen 2.871 N/A TYR 117.A N ALA 167.A O no hydrogen 2.886 N/A TYR 117.A OH THR 102.A OG1 no hydrogen 2.825 N/A TYR 119.A N TYR 165.A O no hydrogen 2.917 N/A ALA 122.A N GLN 118.A O no hydrogen 3.020 N/A LYS 123.A N TYR 119.A O no hydrogen 2.847 N/A LYS 123.A NZ GLU 120.A OE2 no hydrogen 3.307 N/A ARG 124.A N GLU 120.A O no hydrogen 3.091 N/A MET 125.A N PHE 121.A O no hydrogen 2.961 N/A VAL 126.A N ALA 122.A O no hydrogen 3.159 N/A ALA 127.A N ARG 124.A O no hydrogen 3.378 N/A GLY 130.A N PHE 242.A O no hydrogen 2.789 N/A THR 131.A OG1 ALA 128.A O no hydrogen 2.613 N/A TYR 134.A N THR 131.A O no hydrogen 3.061 N/A TYR 134.A OH LEU 244.A O no hydrogen 2.803 N/A GLY 135.A N SER 138.A OG no hydrogen 2.909 N/A SER 138.A OG ARG 124.A O no hydrogen 2.594 N/A SER 138.A OG ASP 133.A O no hydrogen 3.538 N/A SER 138.A OG GLY 135.A O no hydrogen 3.289 N/A VAL 139.A N GLY 135.A O no hydrogen 3.082 N/A ALA 140.A N ARG 136.A O no hydrogen 2.790 N/A VAL 141.A N LEU 137.A O no hydrogen 2.968 N/A GLN 142.A N SER 138.A O no hydrogen 2.831 N/A GLN 142.A NE2 MET 125.A O no hydrogen 3.084 N/A GLN 142.A NE2 ALA 127.A O no hydrogen 2.871 N/A SER 143.A N VAL 139.A O no hydrogen 2.972 N/A SER 143.A OG VAL 139.A O no hydrogen 2.841 N/A SER 143.A OG ALA 140.A O no hydrogen 3.340 N/A ARG 144.A N VAL 141.A O no hydrogen 3.028 N/A ARG 144.A NE GLU 183.A OE1 no hydrogen 3.311 N/A ARG 144.A NH1 ALA 140.A O no hydrogen 2.997 N/A ARG 144.A NH2 GLU 183.A OE1 no hydrogen 2.892 N/A ARG 144.A NH2 ASP 187.A OD1 no hydrogen 2.844 N/A ASP 146.A N LYS 172.A O no hydrogen 2.869 N/A GLU 148.A N LYS 170.A O no hydrogen 3.118 N/A VAL 150.A N ILE 168.A O no hydrogen 2.696 N/A VAL 153.A N SER 166.A O no hydrogen 2.838 N/A ALA 157.A N PRO 154.A O no hydrogen 3.050 N/A PHE 158.A N PRO 155.A O no hydrogen 2.865 N/A TYR 159.A N PHE 3.A O no hydrogen 2.762 N/A SER 166.A N VAL 153.A O no hydrogen 2.940 N/A ALA 167.A N TYR 117.A O no hydrogen 2.776 N/A ILE 168.A N ALA 151.A O no hydrogen 2.935 N/A VAL 169.A N LEU 115.A O no hydrogen 2.887 N/A LYS 170.A N GLU 148.A O no hydrogen 2.849 N/A ILE 171.A N ALA 113.A O no hydrogen 2.814 N/A LYS 172.A N ASP 146.A O no hydrogen 2.908 N/A ASN 174.A N ARG 144.A O no hydrogen 2.922 N/A ASN 174.A ND2 ASP 146.A OD2 no hydrogen 3.147 N/A LYS 177.A N ASN 174.A OD1 no hydrogen 3.144 N/A GLU 181.A N ASN 254.A OD1 no hydrogen 2.992 N/A PHE 185.A N ASN 182.A OD1 no hydrogen 2.964 N/A PHE 186.A N ASN 182.A O no hydrogen 2.997 N/A ASP 187.A N GLU 183.A O no hydrogen 2.941 N/A ASP 188.A N ASN 184.A O no hydrogen 3.037 N/A PHE 189.A N PHE 185.A O no hydrogen 2.726 N/A LEU 190.A N PHE 186.A O no hydrogen 2.789 N/A ARG 191.A N.A ASP 187.A O no hydrogen 3.065 N/A ARG 191.A N.B ASP 187.A O no hydrogen 3.053 N/A ARG 191.A NH1.A GLU 211.A OE1 no hydrogen 3.345 N/A ARG 191.A NH2.A ASP 188.A OD1 no hydrogen 2.627 N/A ALA 192.A N ASP 188.A O no hydrogen 2.976 N/A ILE 193.A N PHE 189.A O no hydrogen 3.011 N/A PHE 194.A N LEU 190.A O no hydrogen 3.105 N/A GLN 195.A N ARG 191.A O.A no hydrogen 3.137 N/A GLN 195.A N ALA 192.A O no hydrogen 3.364 N/A HIS 196.A N ILE 193.A O no hydrogen 3.133 N/A HIS 196.A NE2 SER 208.A OG no hydrogen 2.697 N/A ARG 197.A NH2 THR 131.A O no hydrogen 3.012 N/A ARG 197.A NH2 TYR 134.A O no hydrogen 2.715 N/A LYS 199.A N HIS 196.A O no hydrogen 3.049 N/A VAL 201.A N GLU 239.A O no hydrogen 3.036 N/A ARG 202.A N ILE 237.A O no hydrogen 2.906 N/A ARG 202.A NE ASN 238.A OD1 no hydrogen 3.385 N/A LYS 203.A N SER 200.A OG no hydrogen 3.066 N/A ALA 204.A N SER 200.A O no hydrogen 2.896 N/A LEU 205.A N VAL 201.A O no hydrogen 2.861 N/A ILE 206.A N ARG 202.A O no hydrogen 3.102 N/A ASP 207.A N LYS 203.A O no hydrogen 2.964 N/A SER 208.A N ALA 204.A O no hydrogen 2.906 N/A SER 208.A OG ALA 192.A O no hydrogen 3.335 N/A SER 208.A OG GLN 195.A OE1 no hydrogen 2.728 N/A SER 208.A OG HIS 196.A NE2 no hydrogen 2.697 N/A SER 209.A N ILE 206.A O no hydrogen 3.259 N/A SER 209.A OG ILE 206.A O no hydrogen 3.394 N/A SER 209.A OG TYR 214.A O no hydrogen 2.849 N/A GLU 211.A N SER 208.A O no hydrogen 2.891 N/A LEU 212.A N SER 209.A O no hydrogen 2.896 N/A ASN 213.A N LYS 210.A O no hydrogen 3.105 N/A TYR 214.A N SER 209.A O no hydrogen 3.143 N/A ASN 215.A N GLU 218.A OE1 no hydrogen 2.930 N/A GLU 218.A N ASN 215.A OD1 no hydrogen 2.773 N/A MET 219.A N ASN 215.A O no hydrogen 2.973 N/A LYS 220.A N LYS 216.A O no hydrogen 3.115 N/A LYS 221.A N ASP 217.A O no hydrogen 3.206 N/A LYS 221.A NZ GLU 224.A OE1 no hydrogen 3.202 N/A ILE 222.A N GLU 218.A O no hydrogen 2.839 N/A LEU 223.A N MET 219.A O no hydrogen 2.932 N/A GLU 224.A N LYS 220.A O no hydrogen 3.102 N/A ASP 225.A N LYS 221.A O no hydrogen 3.109 N/A PHE 226.A N ILE 222.A O no hydrogen 2.814 N/A LEU 227.A N LEU 223.A O no hydrogen 2.903 N/A ASN 228.A N ASP 225.A O no hydrogen 2.971 N/A THR 229.A N PHE 226.A O no hydrogen 3.014 N/A THR 229.A OG1 PHE 226.A O no hydrogen 2.701 N/A ASN 230.A ND2 GLU 255.A OE2 no hydrogen 3.563 N/A SER 231.A OG GLU 232.A OE1 no hydrogen 3.279 N/A ILE 233.A N ASN 230.A OD1 no hydrogen 3.296 N/A ASN 235.A N SER 231.A O no hydrogen 3.223 N/A LEU 236.A N GLU 232.A O no hydrogen 3.022 N/A ILE 237.A N ILE 233.A O no hydrogen 2.915 N/A ASN 238.A N LYS 234.A O no hydrogen 3.233 N/A GLU 239.A N LEU 236.A O no hydrogen 3.180 N/A LYS 240.A N GLU 239.A OE1 no hydrogen 2.871 N/A LYS 240.A NZ ASN 198.A O no hydrogen 3.184 N/A VAL 241.A N LYS 199.A O no hydrogen 2.976 N/A PHE 242.A N ARG 197.A O no hydrogen 3.178 N/A LYS 243.A N LYS 240.A O no hydrogen 2.884 N/A LEU 244.A N VAL 241.A O no hydrogen 3.186 N/A ASP 248.A N SER 245.A OG no hydrogen 3.024 N/A ILE 249.A N SER 245.A O no hydrogen 2.922 N/A VAL 250.A N VAL 246.A O no hydrogen 2.954 N/A ASN 251.A N LYS 247.A O no hydrogen 3.017 N/A LEU 252.A N ASP 248.A O no hydrogen 2.815 N/A SER 253.A N ILE 249.A O no hydrogen 2.981 N/A SER 253.A OG ILE 249.A O no hydrogen 2.965 N/A SER 253.A OG VAL 250.A O no hydrogen 2.882 N/A ASN 254.A N VAL 250.A O no hydrogen 2.895 N/A ASN 254.A ND2 HIS 179.A O no hydrogen 2.765 N/A GLU 255.A N ASN 251.A O no hydrogen 2.966 N/A PHE 256.A N LEU 252.A O no hydrogen 2.864 N/A TYR 257.A N SER 253.A O no hydrogen 2.821 N/A ARG 258.A N ASN 254.A O no hydrogen 3.164 N/A ARG 258.A NH1 GLU 181.A OE2 no hydrogen 3.219 N/A PHE 259.A N GLU 255.A O no hydrogen 2.855 N/A LEU 260.A N PHE 256.A O no hydrogen 2.821 N/A GLN 261.A N TYR 257.A O no hydrogen 2.884 N/A ASN 262.A N ARG 258.A O no hydrogen 3.051 N/A ARG 263.A N LEU 260.A O no hydrogen 3.057 N/A