Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4toq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N VAL 273.A O no hydrogen 3.303 N/A GLY 1.A N VAL 273.A OXT no hydrogen 3.274 N/A ASP 2.A N GLY 252.A O no hydrogen 2.954 N/A ALA 4.A N VAL 254.A O no hydrogen 2.970 N/A ILE 5.A N TYR 27.A O no hydrogen 3.033 N/A TYR 6.A N LEU 256.A O no hydrogen 3.219 N/A TYR 6.A OH ASP 123.A OD2 no hydrogen 2.704 N/A TRP 7.A N ILE 29.A O no hydrogen 2.891 N/A TRP 7.A NE1 GLY 14.A O no hydrogen 2.914 N/A GLY 8.A N GLU 13.A OE2 no hydrogen 2.739 N/A GLN 9.A NE2 GLY 8.A O no hydrogen 3.654 N/A GLN 9.A NE2 SER 31.A O no hydrogen 2.952 N/A GLN 9.A NE2 ASN 45.A OD1 no hydrogen 3.054 N/A ASN 10.A N GLU 13.A OE2 no hydrogen 3.270 N/A GLY 12.A N ASN 10.A OD1 no hydrogen 2.881 N/A GLU 13.A N ASN 10.A O no hydrogen 2.954 N/A THR 15.A OG1 SER 18.A OG no hydrogen 3.053 N/A ALA 17.A N GLU 63.A OE1 no hydrogen 2.947 N/A SER 18.A N THR 15.A OG1 no hydrogen 2.985 N/A SER 18.A OG THR 15.A OG1 no hydrogen 3.053 N/A THR 19.A N THR 15.A O no hydrogen 2.959 N/A THR 19.A OG1 THR 15.A O no hydrogen 2.939 N/A CYS 20.A N LEU 16.A O no hydrogen 3.036 N/A CYS 20.A SG LEU 16.A O no hydrogen 3.657 N/A ASP 21.A N ALA 17.A O no hydrogen 2.922 N/A THR 22.A N SER 18.A O no hydrogen 3.205 N/A THR 22.A N THR 19.A O no hydrogen 3.400 N/A THR 22.A OG1 THR 19.A O no hydrogen 2.891 N/A GLY 23.A N CYS 20.A O no hydrogen 3.238 N/A ARG 24.A N THR 22.A OG1 no hydrogen 3.165 N/A ARG 24.A NE SER 266.A OG no hydrogen 2.835 N/A ARG 24.A NH2 TYR 25.A OH no hydrogen 3.213 N/A TYR 25.A OH ASP 262.A OD2 no hydrogen 2.530 N/A ALA 26.A N ILE 3.A O no hydrogen 2.897 N/A TYR 27.A N ILE 3.A O no hydrogen 3.467 N/A VAL 28.A N LYS 73.A O no hydrogen 2.909 N/A ILE 29.A N ILE 5.A O no hydrogen 2.768 N/A VAL 30.A N LEU 75.A O no hydrogen 2.777 N/A SER 31.A N TRP 7.A O no hydrogen 2.871 N/A SER 31.A OG TRP 7.A O no hydrogen 2.745 N/A PHE 32.A N ASN 45.A O no hydrogen 3.094 N/A VAL 33.A N SER 77.A O no hydrogen 2.926 N/A THR 34.A N VAL 43.A O no hydrogen 2.918 N/A THR 34.A OG1 VAL 43.A O no hydrogen 3.426 N/A ASN 38.A N ASP 92.A OD2 no hydrogen 2.669 N/A PHE 39.A N ASP 92.A OD1 no hydrogen 2.894 N/A ARG 40.A N GLY 37.A O no hydrogen 3.167 N/A VAL 43.A N THR 35.A O no hydrogen 3.089 N/A ASN 45.A N PHE 32.A O no hydrogen 2.984 N/A ALA 47.A N ASN 45.A OD1 no hydrogen 2.937 N/A HIS 49.A N LEU 46.A O no hydrogen 3.049 N/A HIS 49.A NE2 GLU 13.A OE2 no hydrogen 2.799 N/A ASP 51.A N THR 56.A OG1 no hydrogen 2.876 N/A ALA 54.A N ASP 51.A O no hydrogen 2.935 N/A ALA 54.A N ASP 51.A OD1 no hydrogen 3.359 N/A GLY 55.A N PRO 52.A O no hydrogen 3.016 N/A THR 56.A N ASP 51.A O no hydrogen 3.275 N/A THR 56.A OG1 ASP 51.A O no hydrogen 3.432 N/A LEU 60.A N CYS 57.A O no hydrogen 2.917 N/A SER 61.A N THR 58.A O no hydrogen 3.363 N/A SER 61.A OG LEU 114.A O no hydrogen 2.580 N/A ASP 62.A N GLY 59.A O no hydrogen 3.355 N/A ILE 64.A N LEU 60.A O no hydrogen 2.804 N/A ARG 65.A N SER 61.A O no hydrogen 2.942 N/A ARG 65.A NH1 ASP 116.A OD1 no hydrogen 2.791 N/A ARG 65.A NH2 ASP 62.A OD1 no hydrogen 2.944 N/A ARG 65.A NH2 ASP 116.A OD1 no hydrogen 3.236 N/A SER 66.A N ASP 62.A O no hydrogen 2.998 N/A SER 66.A OG.A GLU 63.A O no hydrogen 2.736 N/A CYS 67.A N GLU 63.A O no hydrogen 3.082 N/A CYS 67.A SG LEU 16.A O no hydrogen 3.964 N/A CYS 67.A SG GLU 63.A O no hydrogen 3.271 N/A GLN 68.A N ILE 64.A O no hydrogen 2.980 N/A GLN 68.A NE2 VAL 118.A O no hydrogen 2.894 N/A GLN 68.A NE2 ASP 120.A OD2 no hydrogen 3.096 N/A GLY 69.A N ARG 65.A O no hydrogen 2.801 N/A LYS 70.A N CYS 67.A O no hydrogen 2.956 N/A LYS 70.A NZ ASP 21.A OD1.B no hydrogen 2.296 N/A LYS 70.A NZ SER 66.A OG.B no hydrogen 2.807 N/A ASP 71.A N GLN 68.A O no hydrogen 3.011 N/A ILE 72.A N CYS 67.A O no hydrogen 3.144 N/A LYS 73.A N ALA 26.A O no hydrogen 3.076 N/A VAL 74.A N ASP 120.A OD2 no hydrogen 2.863 N/A LEU 75.A N VAL 28.A O no hydrogen 2.996 N/A MET 76.A N GLY 121.A O no hydrogen 2.972 N/A SER 77.A N VAL 30.A O no hydrogen 2.718 N/A SER 77.A OG ASP 123.A O no hydrogen 3.501 N/A SER 77.A OG ASP 123.A OD2 no hydrogen 2.769 N/A ILE 78.A N ASP 123.A O no hydrogen 2.899 N/A GLY 79.A N VAL 33.A O no hydrogen 2.913 N/A GLY 80.A N ASP 125.A O no hydrogen 2.829 N/A ASP 84.A N THR 34.A O no hydrogen 2.907 N/A TYR 85.A OH GLY 80.A O no hydrogen 2.694 N/A SER 86.A N PHE 36.A O no hydrogen 3.476 N/A SER 86.A OG TYR 85.A O no hydrogen 2.566 N/A VAL 88.A N ASP 92.A OD2 no hydrogen 2.916 N/A ASP 92.A N SER 89.A OG no hydrogen 3.027 N/A ALA 93.A N SER 89.A O no hydrogen 3.127 N/A ASP 94.A N GLU 90.A O no hydrogen 2.982 N/A ASN 95.A N ALA 91.A O no hydrogen 2.899 N/A PHE 96.A N ASP 92.A O no hydrogen 2.979 N/A ALA 97.A N ALA 93.A O no hydrogen 2.870 N/A ASP 98.A N ASP 94.A O no hydrogen 2.967 N/A TYR 99.A N ASN 95.A O no hydrogen 3.033 N/A LEU 100.A N PHE 96.A O no hydrogen 2.954 N/A TRP 101.A N ALA 97.A O no hydrogen 2.867 N/A ASN 102.A N ASP 98.A O no hydrogen 2.888 N/A ASN 102.A ND2 ASP 98.A OD2.B no hydrogen 3.167 N/A ASN 103.A N TYR 99.A O no hydrogen 2.915 N/A ASN 103.A ND2 TYR 99.A O no hydrogen 2.978 N/A PHE 104.A N LEU 100.A O no hydrogen 2.959 N/A LEU 105.A N LEU 100.A O no hydrogen 3.206 N/A LEU 105.A N TRP 101.A O no hydrogen 3.272 N/A GLY 107.A N TRP 101.A O no hydrogen 2.951 N/A GLN 108.A N ASN 102.A OD1 no hydrogen 3.062 N/A SER 109.A OG ASN 103.A OD1 no hydrogen 2.744 N/A SER 111.A N SER 109.A OG no hydrogen 3.066 N/A ARG 112.A NE GLY 115.A O no hydrogen 2.846 N/A ARG 112.A NH1 LEU 105.A O no hydrogen 3.077 N/A ARG 112.A NH2 LEU 105.A O no hydrogen 2.916 N/A ARG 112.A NH2 ALA 117.A O no hydrogen 2.802 N/A GLY 115.A N ARG 112.A O no hydrogen 3.356 N/A ALA 117.A N SER 61.A OG no hydrogen 2.819 N/A LEU 119.A N PHE 104.A O no hydrogen 2.863 N/A ASP 120.A N VAL 74.A O no hydrogen 2.830 N/A ILE 122.A N TYR 152.A O no hydrogen 2.928 N/A ASP 123.A N MET 76.A O no hydrogen 2.884 N/A PHE 124.A N THR 154.A O no hydrogen 2.759 N/A ASP 125.A N ILE 78.A O no hydrogen 2.949 N/A GLU 127.A N TYR 85.A OH no hydrogen 2.987 N/A THR 130.A N SER 86.A OG no hydrogen 3.098 N/A THR 136.A N ASP 135.A OD1 no hydrogen 2.937 N/A LEU 137.A N PHE 133.A O no hydrogen 2.989 N/A ALA 138.A N TYR 134.A O no hydrogen 2.992 N/A ARG 139.A N ASP 135.A O no hydrogen 2.991 N/A ALA 140.A N THR 136.A O no hydrogen 3.029 N/A LEU 141.A N LEU 137.A O no hydrogen 2.983 N/A SER 142.A N ALA 138.A O no hydrogen 2.875 N/A SER 143.A N ARG 139.A O no hydrogen 3.107 N/A SER 143.A OG.A ARG 139.A O no hydrogen 2.898 N/A SER 143.A OG.B ALA 140.A O no hydrogen 2.828 N/A ARG 144.A N LEU 141.A O no hydrogen 2.945 N/A ARG 144.A NH2.A ASP 98.A OD1.A no hydrogen 2.701 N/A SER 145.A N SER 142.A O no hydrogen 3.012 N/A THR 146.A N ALA 149.A O no hydrogen 2.979 N/A THR 146.A OG1 ALA 149.A O no hydrogen 3.279 N/A ALA 149.A N THR 146.A OG1 no hydrogen 2.527 N/A LYS 150.A NZ ASP 176.A OD1 no hydrogen 2.883 N/A VAL 151.A N SER 145.A OG no hydrogen 3.091 N/A TYR 152.A N ASP 120.A O no hydrogen 2.919 N/A LEU 153.A N ASP 176.A OD2 no hydrogen 2.927 N/A THR 154.A N ILE 122.A O no hydrogen 2.991 N/A THR 154.A OG1 ASP 123.A OD1 no hydrogen 2.767 N/A ALA 155.A N ASN 177.A O no hydrogen 3.186 N/A ALA 156.A N PHE 124.A O no hydrogen 2.988 N/A GLN 158.A N ASP 163.A OD1 no hydrogen 2.987 N/A SER 164.A OG HIS 165.A ND1 no hydrogen 3.261 N/A HIS 165.A N ASP 163.A OD2 no hydrogen 3.139 N/A HIS 165.A NE2 GLY 129.A O no hydrogen 2.814 N/A LEU 166.A N ASP 163.A OD2 no hydrogen 2.915 N/A ASP 167.A N ASP 163.A O no hydrogen 2.957 N/A LEU 170.A N LEU 166.A O no hydrogen 2.780 N/A ASN 171.A N ASP 167.A O no hydrogen 2.857 N/A THR 172.A N ALA 169.A O no hydrogen 3.135 N/A THR 172.A OG1 ALA 169.A O no hydrogen 2.670 N/A GLY 173.A N LEU 170.A O no hydrogen 3.009 N/A LEU 174.A N THR 172.A OG1 no hydrogen 3.203 N/A ASP 176.A N LEU 153.A O no hydrogen 2.744 N/A VAL 178.A N LYS 215.A O no hydrogen 2.985 N/A TRP 179.A N ALA 155.A O no hydrogen 2.986 N/A TRP 179.A NE1 ASP 123.A OD1 no hydrogen 2.844 N/A ILE 180.A N PHE 217.A O no hydrogen 3.232 N/A GLN 181.A N PRO 157.A O no hydrogen 2.798 N/A GLN 181.A NE2 GLU 127.A OE2 no hydrogen 3.076 N/A GLN 181.A NE2 ALA 156.A O no hydrogen 2.916 N/A PHE 182.A N GLY 219.A O no hydrogen 2.933 N/A ASN 184.A N SER 229.A O no hydrogen 3.061 N/A ASN 185.A N GLN 191.A OE1 no hydrogen 2.779 N/A ASN 185.A ND2 GLN 158.A OE1 no hydrogen 2.826 N/A ASN 185.A ND2 TYR 183.A O no hydrogen 2.903 N/A ALA 188.A N ASN 185.A O no hydrogen 3.261 N/A CYS 190.A SG ALA 188.A O no hydrogen 4.038 N/A GLN 191.A NE2 SER 229.A OG no hydrogen 2.919 N/A SER 193.A N ASN 196.A O no hydrogen 3.455 N/A ASN 196.A N SER 193.A O no hydrogen 2.884 N/A ASN 196.A ND2 ASP 199.A OD2 no hydrogen 2.989 N/A ASP 199.A N ASN 196.A OD1 no hydrogen 3.327 N/A LEU 201.A N THR 197.A O no hydrogen 3.122 N/A SER 202.A N ASN 198.A O no hydrogen 3.018 N/A SER 202.A OG.A ASN 198.A O no hydrogen 2.877 N/A SER 202.A OG.C ASN 198.A O no hydrogen 2.897 N/A SER 202.A OG.C ASP 199.A O no hydrogen 2.819 N/A SER 203.A N ASP 199.A O no hydrogen 2.850 N/A TRP 204.A N ILE 200.A O no hydrogen 2.847 N/A TRP 204.A NE1 SER 248.A OG.A no hydrogen 3.025 N/A ASN 205.A N LEU 201.A O no hydrogen 3.193 N/A THR 206.A N SER 202.A O no hydrogen 3.074 N/A THR 206.A OG1 SER 202.A O no hydrogen 3.322 N/A TRP 207.A N SER 203.A O no hydrogen 2.849 N/A TRP 207.A NE1 CYS 159.A O no hydrogen 2.845 N/A THR 208.A N TRP 204.A O no hydrogen 2.946 N/A THR 208.A OG1 TRP 204.A O no hydrogen 3.007 N/A THR 208.A OG1 ASN 205.A O no hydrogen 3.278 N/A SER 209.A N ASN 205.A O no hydrogen 3.123 N/A SER 209.A OG.A ASN 205.A O no hydrogen 2.985 N/A SER 209.A OG.A THR 206.A O no hydrogen 3.435 N/A SER 209.A OG.B ASN 205.A O no hydrogen 2.879 N/A SER 210.A N TRP 207.A O no hydrogen 3.313 N/A SER 210.A OG THR 206.A O no hydrogen 2.803 N/A THR 211.A OG1.A TRP 207.A O no hydrogen 2.581 N/A THR 211.A OG1.A THR 208.A O no hydrogen 3.546 N/A THR 211.A OG1.B TRP 207.A O no hydrogen 2.694 N/A THR 212.A OG1 LEU 170.A O no hydrogen 3.060 N/A LYS 215.A N ASP 176.A O no hydrogen 3.253 N/A LYS 215.A NZ GLY 214.A O no hydrogen 2.500 N/A ILE 216.A N LYS 250.A O no hydrogen 2.835 N/A PHE 217.A N VAL 178.A O no hydrogen 2.862 N/A LEU 218.A N GLY 253.A O no hydrogen 2.965 N/A GLY 219.A N ILE 180.A O no hydrogen 2.901 N/A LEU 220.A N MET 255.A O no hydrogen 2.840 N/A ALA 222.A N TYR 257.A O no hydrogen 2.870 N/A ALA 226.A N ALA 223.A O no hydrogen 3.048 N/A GLY 228.A N ASN 184.A OD1 no hydrogen 2.737 N/A VAL 236.A N PRO 233.A O no hydrogen 2.982 N/A LEU 237.A N PRO 233.A O no hydrogen 3.028 N/A THR 238.A N PRO 234.A O no hydrogen 2.873 N/A THR 238.A OG1 PRO 234.A O no hydrogen 3.116 N/A GLY 239.A N ASP 235.A O no hydrogen 2.980 N/A GLN 240.A N VAL 236.A O no hydrogen 2.801 N/A ILE 241.A N LEU 237.A O no hydrogen 3.113 N/A LEU 242.A N LEU 237.A O no hydrogen 2.849 N/A ILE 245.A N ILE 241.A O no hydrogen 3.128 N/A LYS 246.A N LEU 242.A O no hydrogen 3.024 N/A LYS 246.A NZ.A GLN 272.A O no hydrogen 2.831 N/A LYS 246.A NZ.B VAL 273.A O no hydrogen 3.023 N/A THR 247.A N GLN 244.A O no hydrogen 3.079 N/A THR 247.A OG1 GLN 244.A O no hydrogen 2.736 N/A SER 248.A N ILE 245.A O no hydrogen 3.090 N/A SER 248.A OG.A ILE 245.A O no hydrogen 3.488 N/A LYS 250.A N SER 248.A OG.B no hydrogen 3.226 N/A LYS 250.A NZ THR 208.A O no hydrogen 2.937 N/A LYS 250.A NZ THR 211.A OG1.A no hydrogen 3.283 N/A LYS 250.A NZ ALA 213.A O no hydrogen 3.136 N/A TYR 251.A N SER 248.A O no hydrogen 3.353 N/A TYR 251.A OH VAL 273.A O no hydrogen 2.738 N/A GLY 252.A N ILE 216.A O no hydrogen 2.756 N/A VAL 254.A N ASP 2.A O no hydrogen 2.998 N/A MET 255.A N LEU 218.A O no hydrogen 2.856 N/A LEU 256.A N ALA 4.A O no hydrogen 2.844 N/A TYR 257.A N LEU 220.A O no hydrogen 2.960 N/A LYS 259.A N TYR 6.A O no hydrogen 2.872 N/A LYS 259.A NZ GLU 13.A O no hydrogen 2.718 N/A TYR 261.A N SER 258.A O no hydrogen 3.005 N/A ASP 262.A N LYS 259.A O no hydrogen 3.009 N/A TYR 265.A OH ILE 232.A O no hydrogen 2.615 N/A SER 266.A N ASP 262.A OD1 no hydrogen 2.819 N/A SER 266.A OG ASP 262.A OD1 no hydrogen 3.223 N/A SER 266.A OG ASP 262.A OD2 no hydrogen 2.505 N/A THR 268.A N THR 264.A O no hydrogen 2.970 N/A THR 268.A OG1 THR 264.A O no hydrogen 2.950 N/A ILE 269.A N TYR 265.A O no hydrogen 3.064 N/A GLN 272.A N ILE 269.A O no hydrogen 2.884 N/A