Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2iks_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE TYR 34.A OH no hydrogen 2.996 N/A ARG 2.A NH1 ASP 247.A OD1 no hydrogen 3.115 N/A ARG 2.A NH2 TYR 34.A OH no hydrogen 2.613 N/A ARG 2.A NH2 ASP 247.A OD1 no hydrogen 2.400 N/A THR 3.A N ASP 60.A OD1 no hydrogen 2.941 N/A THR 3.A OG1 SER 5.A OG no hydrogen 2.681 N/A THR 3.A OG1 GLN 58.A O no hydrogen 2.686 N/A THR 3.A OG1 ASP 60.A OD1 no hydrogen 3.390 N/A ARG 4.A NE GLY 33.A O no hydrogen 3.168 N/A ARG 4.A NH2 ARG 32.A O no hydrogen 2.916 N/A SER 5.A N ASP 60.A OD2 no hydrogen 3.144 N/A SER 5.A OG THR 3.A OG1 no hydrogen 2.681 N/A ILE 6.A N GLN 35.A O no hydrogen 2.988 N/A GLY 7.A N ALA 61.A O no hydrogen 2.853 N/A LEU 8.A N LEU 37.A O no hydrogen 2.769 N/A VAL 9.A N ILE 63.A O no hydrogen 2.847 N/A ILE 10.A N ALA 39.A O no hydrogen 3.357 N/A GLU 14.A N ASP 12.A OD1 no hydrogen 2.608 N/A ASN 15.A N ASP 12.A OD1 no hydrogen 2.800 N/A SER 17.A N ASN 15.A OD1 no hydrogen 2.781 N/A SER 17.A OG GLN 229.A OE1 no hydrogen 2.647 N/A TYR 18.A OH SER 65.A OG no hydrogen 2.527 N/A THR 19.A N ASN 15.A O no hydrogen 2.867 N/A THR 19.A OG1 THR 16.A O no hydrogen 3.032 N/A ARG 20.A N THR 16.A O no hydrogen 2.922 N/A ILE 21.A N SER 17.A O no hydrogen 3.097 N/A ALA 22.A N TYR 18.A O no hydrogen 2.972 N/A ASN 23.A N THR 19.A O no hydrogen 2.766 N/A TYR 24.A N ARG 20.A O no hydrogen 3.103 N/A LEU 25.A N ILE 21.A O no hydrogen 2.809 N/A GLU 26.A N ALA 22.A O no hydrogen 2.889 N/A ARG 27.A N ASN 23.A O no hydrogen 3.142 N/A GLN 28.A N TYR 24.A O no hydrogen 2.941 N/A ALA 29.A N LEU 25.A O no hydrogen 2.841 N/A ARG 30.A N GLU 26.A O no hydrogen 2.958 N/A ARG 30.A NE GLU 26.A OE2 no hydrogen 3.217 N/A ARG 30.A NH2 GLN 35.A OE1 no hydrogen 2.674 N/A GLN 31.A N ARG 27.A O no hydrogen 3.012 N/A ARG 32.A N GLN 28.A O no hydrogen 3.133 N/A ARG 32.A N ALA 29.A O no hydrogen 2.971 N/A GLY 33.A N ARG 30.A O no hydrogen 3.035 N/A TYR 34.A N ALA 29.A O no hydrogen 2.877 N/A GLN 35.A N ARG 4.A O no hydrogen 2.936 N/A GLN 35.A NE2 LEU 36.A O no hydrogen 2.866 N/A LEU 37.A N ILE 6.A O no hydrogen 2.825 N/A ALA 39.A N LEU 8.A O no hydrogen 2.897 N/A SER 41.A N ILE 10.A O no hydrogen 2.916 N/A GLU 42.A N PRO 11.A O no hydrogen 2.834 N/A ASP 43.A N SER 41.A OG no hydrogen 2.996 N/A GLN 44.A N SER 41.A O no hydrogen 3.123 N/A GLN 44.A NE2 GLU 42.A O no hydrogen 3.173 N/A GLU 48.A N GLN 44.A O no hydrogen 2.789 N/A CYS 50.A N ASN 47.A O no hydrogen 2.825 N/A CYS 50.A SG CYS 40.A O no hydrogen 3.620 N/A CYS 50.A SG ASN 47.A O no hydrogen 3.423 N/A ILE 51.A N GLU 48.A O no hydrogen 2.919 N/A HIS 53.A N ARG 49.A O no hydrogen 2.944 N/A LEU 54.A N CYS 50.A O no hydrogen 2.947 N/A LEU 55.A N ILE 51.A O no hydrogen 3.003 N/A GLN 56.A N GLU 52.A O no hydrogen 2.938 N/A ARG 57.A N HIS 53.A O no hydrogen 3.055 N/A GLN 58.A N LEU 55.A O no hydrogen 2.866 N/A VAL 59.A N LEU 54.A O no hydrogen 3.326 N/A ASP 60.A N SER 5.A O no hydrogen 2.772 N/A ILE 62.A N PRO 84.A O no hydrogen 2.993 N/A ILE 63.A N GLY 7.A O no hydrogen 2.856 N/A VAL 64.A N VAL 86.A O no hydrogen 2.962 N/A SER 65.A N VAL 9.A O no hydrogen 2.909 N/A SER 65.A OG TYR 18.A OH no hydrogen 2.527 N/A SER 65.A OG LEU 88.A O no hydrogen 3.359 N/A THR 66.A OG1 GLU 48.A OE2 no hydrogen 2.699 N/A SER 67.A N GLU 48.A OE1 no hydrogen 2.847 N/A SER 67.A OG GLU 48.A OE1 no hydrogen 2.804 N/A LEU 68.A N THR 66.A OG1 no hydrogen 2.965 N/A GLU 71.A N GLU 71.A OE1 no hydrogen 2.837 N/A HIS 72.A N PRO 69.A O no hydrogen 2.996 N/A PHE 74.A N HIS 72.A ND1 no hydrogen 3.008 N/A TYR 75.A OH GLU 48.A OE2 no hydrogen 2.645 N/A GLN 76.A NE2 ASP 93.A OD2 no hydrogen 2.767 N/A TRP 78.A N TYR 75.A O no hydrogen 2.814 N/A ALA 79.A N GLN 76.A O no hydrogen 3.102 N/A PHE 83.A N ASP 81.A OD2 no hydrogen 2.960 N/A VAL 86.A N ILE 62.A O no hydrogen 2.841 N/A ALA 87.A N THR 98.A O no hydrogen 2.967 N/A LEU 88.A N VAL 64.A O no hydrogen 2.858 N/A ASP 89.A N VAL 100.A O no hydrogen 2.899 N/A ARG 90.A N LEU 88.A O no hydrogen 2.825 N/A ARG 90.A NE SER 65.A OG no hydrogen 3.017 N/A ARG 90.A NH1 ASP 43.A OD1 no hydrogen 2.620 N/A ARG 90.A NH2 ASP 43.A OD1 no hydrogen 2.780 N/A ARG 90.A NH2 SER 65.A O no hydrogen 2.970 N/A LEU 92.A N SER 99.A OG no hydrogen 3.002 N/A ASP 93.A N PRO 70.A O no hydrogen 2.977 N/A GLU 95.A N ASP 93.A OD1 no hydrogen 3.005 N/A HIS 96.A N ASP 93.A O no hydrogen 3.107 N/A PHE 97.A N ASP 93.A O no hydrogen 2.980 N/A SER 99.A N GLY 255.A O no hydrogen 3.135 N/A SER 99.A OG LEU 92.A O no hydrogen 3.366 N/A VAL 100.A N ALA 87.A O no hydrogen 2.882 N/A VAL 101.A N THR 257.A O no hydrogen 2.931 N/A ASP 107.A N ALA 103.A O no hydrogen 2.800 N/A ALA 108.A N ASP 104.A O no hydrogen 2.950 N/A GLU 109.A N GLN 105.A O no hydrogen 2.954 N/A ALA 111.A N ALA 108.A O no hydrogen 2.842 N/A GLU 112.A N GLU 109.A O no hydrogen 2.806 N/A LEU 114.A N LEU 110.A O no hydrogen 2.962 N/A ARG 115.A N ALA 111.A O no hydrogen 2.914 N/A ARG 115.A NH1 ASP 148.A OD2 no hydrogen 2.949 N/A LYS 116.A N GLU 113.A O no hydrogen 3.255 N/A LYS 116.A NZ GLU 113.A OE1 no hydrogen 3.008 N/A LYS 116.A NZ GLU 113.A OE2 no hydrogen 3.179 N/A PHE 117.A N LEU 114.A O no hydrogen 3.047 N/A THR 121.A N GLN 179.A OE1 no hydrogen 2.708 N/A LEU 123.A N ALA 180.A O no hydrogen 2.975 N/A TYR 124.A N HIS 153.A O no hydrogen 2.750 N/A LEU 125.A N PHE 182.A O no hydrogen 2.777 N/A GLY 126.A N LEU 155.A O no hydrogen 2.867 N/A LEU 128.A N ALA 157.A O no hydrogen 3.029 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.860 N/A LEU 131.A N LEU 128.A O no hydrogen 3.179 N/A SER 134.A OG ALA 127.A O no hydrogen 2.996 N/A SER 134.A OG LEU 128.A O no hydrogen 2.675 N/A SER 134.A OG TYR 160.A OH no hydrogen 2.584 N/A PHE 135.A N LEU 131.A O no hydrogen 2.957 N/A LEU 136.A N SER 132.A O no hydrogen 2.894 N/A ARG 137.A N VAL 133.A O no hydrogen 3.086 N/A ARG 137.A NE ASP 104.A OD1 no hydrogen 2.935 N/A ARG 137.A NH1 THR 184.A O no hydrogen 2.818 N/A ARG 137.A NH2 ASP 104.A OD1 no hydrogen 2.765 N/A GLU 138.A N SER 134.A O no hydrogen 3.059 N/A GLN 139.A N PHE 135.A O no hydrogen 2.836 N/A GLY 140.A N LEU 136.A O no hydrogen 3.022 N/A PHE 141.A N ARG 137.A O no hydrogen 3.031 N/A ARG 142.A N GLU 138.A O no hydrogen 2.857 N/A ARG 142.A NE GLU 138.A OE2 no hydrogen 2.600 N/A ARG 142.A NH2 GLU 138.A OE2 no hydrogen 3.170 N/A THR 143.A N GLN 139.A O no hydrogen 2.985 N/A THR 143.A OG1 GLN 139.A O no hydrogen 3.143 N/A ALA 144.A N GLY 140.A O no hydrogen 3.215 N/A TRP 145.A N PHE 141.A O no hydrogen 3.023 N/A TRP 145.A N ARG 142.A O no hydrogen 3.241 N/A TRP 145.A NE1 ALA 111.A O no hydrogen 3.077 N/A LYS 146.A N THR 143.A O no hydrogen 3.421 N/A LYS 146.A NZ ASP 147.A OD1 no hydrogen 3.569 N/A LYS 146.A NZ ASP 147.A OD2 no hydrogen 2.904 N/A ASP 148.A N TRP 145.A O no hydrogen 2.974 N/A ARG 150.A N ASP 148.A OD1 no hydrogen 2.958 N/A ARG 150.A NE ASP 148.A OD1 no hydrogen 2.866 N/A ARG 150.A NE ASP 148.A OD2 no hydrogen 3.447 N/A ARG 150.A NH1 PHE 117.A O no hydrogen 3.088 N/A ARG 150.A NH1 ALA 119.A O no hydrogen 3.142 N/A ARG 150.A NH2 ARG 115.A O no hydrogen 2.915 N/A ARG 150.A NH2 ASP 148.A OD2 no hydrogen 2.849 N/A HIS 153.A N VAL 122.A O no hydrogen 2.889 N/A LEU 155.A N TYR 124.A O no hydrogen 2.866 N/A TYR 156.A OH GLU 138.A OE1 no hydrogen 2.477 N/A ALA 157.A N GLY 126.A O no hydrogen 2.908 N/A SER 159.A OG ASN 158.A OD1 no hydrogen 3.167 N/A TYR 160.A OH SER 134.A OG no hydrogen 2.584 N/A ARG 162.A NE ASP 193.A OD2 no hydrogen 2.806 N/A ARG 162.A NH2 ASP 193.A OD1 no hydrogen 2.983 N/A ARG 162.A NH2 ASP 193.A OD2 no hydrogen 3.540 N/A GLU 163.A N GLU 161.A OE2 no hydrogen 2.936 N/A ALA 164.A N GLU 161.A OE1 no hydrogen 2.855 N/A ALA 165.A N GLU 161.A O no hydrogen 3.046 N/A ALA 166.A N ARG 162.A O no hydrogen 2.960 N/A GLN 167.A N GLU 163.A O no hydrogen 3.001 N/A GLN 167.A NE2 GLU 163.A OE2 no hydrogen 3.103 N/A LEU 168.A N ALA 164.A O no hydrogen 3.059 N/A PHE 169.A N ALA 165.A O no hydrogen 2.857 N/A GLU 170.A N ALA 166.A O no hydrogen 2.825 N/A LYS 171.A N GLN 167.A O no hydrogen 3.059 N/A TRP 172.A N LEU 168.A O no hydrogen 2.833 N/A LEU 173.A N PHE 169.A O no hydrogen 2.964 N/A GLU 174.A N LYS 171.A O no hydrogen 3.119 N/A THR 175.A N TRP 172.A O no hydrogen 3.184 N/A GLN 179.A N THR 121.A O no hydrogen 2.864 N/A ALA 180.A N THR 121.A O no hydrogen 3.226 N/A LEU 181.A N ALA 207.A O no hydrogen 2.919 N/A PHE 182.A N LEU 123.A O no hydrogen 2.821 N/A THR 183.A N ALA 209.A O no hydrogen 2.762 N/A THR 183.A OG1 THR 210.A OG1 no hydrogen 2.782 N/A THR 184.A N LEU 125.A O no hydrogen 3.149 N/A LEU 189.A N SER 185.A O no hydrogen 3.222 N/A GLN 190.A N PHE 186.A O no hydrogen 2.834 N/A GLY 191.A N ALA 187.A O no hydrogen 3.173 N/A VAL 192.A N LEU 188.A O no hydrogen 3.228 N/A VAL 194.A N GLY 191.A O no hydrogen 3.124 N/A THR 195.A N VAL 192.A O no hydrogen 2.930 N/A THR 195.A OG1 VAL 192.A O no hydrogen 2.917 N/A ARG 197.A N ASP 193.A O no hydrogen 3.020 N/A ARG 197.A NH1 GLU 170.A OE1 no hydrogen 3.172 N/A ARG 198.A N VAL 194.A O no hydrogen 2.835 N/A ASP 199.A N THR 195.A O no hydrogen 2.857 N/A GLY 200.A N LEU 196.A O no hydrogen 2.755 N/A ALA 207.A N GLN 179.A O no hydrogen 2.789 N/A ILE 208.A N PRO 223.A O no hydrogen 2.961 N/A ALA 209.A N LEU 181.A O no hydrogen 2.858 N/A THR 210.A N LEU 225.A O no hydrogen 2.956 N/A THR 210.A OG1 THR 183.A OG1 no hydrogen 2.782 N/A THR 210.A OG1 PHE 211.A O no hydrogen 2.728 N/A PHE 211.A N THR 183.A O no hydrogen 3.030 N/A GLY 212.A N VAL 227.A O no hydrogen 2.871 N/A LEU 216.A N ASN 214.A OD1 no hydrogen 2.992 N/A LEU 217.A N ASN 214.A O no hydrogen 2.819 N/A ASP 218.A N GLU 215.A O no hydrogen 3.008 N/A PHE 219.A N LEU 216.A O no hydrogen 3.105 N/A LEU 220.A N LEU 217.A O no hydrogen 3.268 N/A CYS 222.A SG PRO 223.A O no hydrogen 3.916 N/A VAL 224.A N ARG 266.A O no hydrogen 3.241 N/A LEU 225.A N ILE 208.A O no hydrogen 2.728 N/A ALA 226.A N TYR 264.A O no hydrogen 3.013 N/A VAL 227.A N THR 210.A O no hydrogen 3.038 N/A ALA 228.A N ASN 262.A O no hydrogen 2.927 N/A GLN 229.A NE2 ASP 89.A OD1 no hydrogen 3.522 N/A ARG 230.A NE ASN 262.A OD1 no hydrogen 2.747 N/A ARG 230.A NH2 ASN 262.A OD1 no hydrogen 3.378 N/A VAL 234.A N ARG 230.A O no hydrogen 3.021 N/A ALA 235.A N HIS 231.A O no hydrogen 2.915 N/A GLU 236.A N ARG 232.A O no hydrogen 3.038 N/A ARG 237.A N ASP 233.A O no hydrogen 2.903 N/A ARG 237.A NE ASP 233.A OD1 no hydrogen 3.486 N/A ARG 237.A NE ASP 233.A OD2 no hydrogen 2.758 N/A VAL 238.A N VAL 234.A O no hydrogen 2.910 N/A LEU 239.A N ALA 235.A O no hydrogen 3.045 N/A GLU 240.A N GLU 236.A O no hydrogen 3.001 N/A ILE 241.A N ARG 237.A O no hydrogen 2.982 N/A VAL 242.A N VAL 238.A O no hydrogen 2.893 N/A LEU 243.A N LEU 239.A O no hydrogen 2.833 N/A ALA 244.A N GLU 240.A O no hydrogen 2.861 N/A SER 245.A N ILE 241.A O no hydrogen 2.885 N/A SER 245.A OG ILE 241.A O no hydrogen 2.578 N/A LEU 246.A N VAL 242.A O no hydrogen 3.011 N/A LEU 246.A N LEU 243.A O no hydrogen 3.092 N/A ASP 247.A N LEU 243.A O no hydrogen 2.640 N/A GLU 248.A N ALA 244.A O no hydrogen 3.074 N/A LYS 251.A NZ ASP 81.A O no hydrogen 2.800 N/A GLY 255.A N PHE 97.A O no hydrogen 2.937 N/A THR 257.A N SER 99.A O no hydrogen 2.827 N/A ILE 259.A N VAL 101.A O no hydrogen 2.805 N/A ARG 261.A N ASP 107.A OD1 no hydrogen 3.016 N/A ARG 261.A NH1 ASP 104.A OD1 no hydrogen 3.417 N/A ARG 261.A NH1 ASP 107.A OD2 no hydrogen 2.702 N/A ASN 262.A N ALA 228.A O no hydrogen 2.839 N/A ASN 262.A ND2 TYR 264.A OH no hydrogen 3.111 N/A TYR 264.A N ALA 226.A O no hydrogen 2.699 N/A ARG 266.A N VAL 224.A O no hydrogen 2.721 N/A ARG 266.A NE ASP 213.A OD1 no hydrogen 2.678 N/A ARG 266.A NH1 ASP 218.A OD1 no hydrogen 3.160 N/A ARG 266.A NH2 ASP 213.A OD1 no hydrogen 3.569 N/A ARG 266.A NH2 ASP 213.A OD2 no hydrogen 2.768 N/A GLY 267.A N LEU 217.A O no hydrogen 2.731 N/A VAL 268.A N CYS 222.A O no hydrogen 3.108 N/A LEU 269.A N ARG 266.A O no hydrogen 2.960 N/A SER 270.A N GLY 267.A O no hydrogen 2.895 N/A SER 270.A OG ASP 218.A O no hydrogen 3.059 N/A SER 270.A OG GLY 267.A O no hydrogen 2.684 N/A ARG 271.A N VAL 268.A O no hydrogen 3.075 N/A ARG 271.A NH2 ASP 218.A O no hydrogen 2.601 N/A ARG 271.A NH2 LEU 220.A O no hydrogen 2.415 N/A