Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a3k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N ASN 1.A OD1 no hydrogen 2.913 N/A VAL 6.A N THR 2.A O no hydrogen 2.772 N/A THR 7.A N PRO 3.A O no hydrogen 3.285 N/A THR 7.A OG1 PRO 3.A O no hydrogen 3.200 N/A LEU 8.A N ARG 4.A O no hydrogen 2.929 N/A HIS 9.A N GLU 5.A O no hydrogen 2.889 N/A PHE 10.A N VAL 6.A O no hydrogen 3.104 N/A LEU 11.A N THR 7.A O no hydrogen 3.241 N/A ARG 12.A N LEU 8.A O no hydrogen 3.162 N/A THR 13.A N PHE 10.A O no hydrogen 2.996 N/A THR 13.A OG1 HIS 9.A O no hydrogen 2.908 N/A ALA 14.A N PHE 10.A O no hydrogen 2.855 N/A HIS 16.A N ASP 232.A OD2 no hydrogen 2.753 N/A HIS 16.A ND1 GLU 36.A OE1 no hydrogen 2.934 N/A LEU 18.A N VAL 231.A O no hydrogen 2.673 N/A ARG 20.A N GLY 229.A O no hydrogen 3.147 N/A ARG 20.A NE GLN 24.A OE1 no hydrogen 3.219 N/A ARG 20.A NH2 ALA 265.A O no hydrogen 2.696 N/A ALA 22.A N THR 19.A OG1 no hydrogen 3.290 N/A LEU 23.A N THR 19.A O no hydrogen 2.953 N/A GLN 24.A N ARG 20.A O no hydrogen 3.021 N/A ARG 25.A N TRP 21.A O no hydrogen 2.796 N/A GLN 26.A N ALA 22.A O no hydrogen 2.914 N/A SER 29.A N GLN 32.A OE1 no hydrogen 3.123 N/A SER 29.A OG GLN 32.A OE1 no hydrogen 3.352 N/A GLN 32.A N SER 29.A OG no hydrogen 3.416 N/A LEU 33.A N SER 29.A O no hydrogen 3.078 N/A GLU 34.A N PRO 30.A O no hydrogen 3.104 N/A GLU 35.A N LYS 31.A O no hydrogen 3.120 N/A GLU 36.A N GLN 32.A O no hydrogen 3.130 N/A PHE 37.A N LEU 33.A O no hydrogen 2.952 N/A LEU 38.A N GLU 34.A O no hydrogen 2.793 N/A LYS 39.A N GLU 35.A O no hydrogen 3.246 N/A ILE 40.A N PHE 37.A O no hydrogen 2.965 N/A ASN 43.A ND2 ARG 241.A O no hydrogen 2.583 N/A ASP 49.A N SER 46.A O no hydrogen 3.150 N/A ASP 49.A N SER 46.A OG no hydrogen 3.001 N/A HIS 55.A ND1 ASP 59.A OD2 no hydrogen 2.991 N/A LYS 58.A N HIS 55.A O no hydrogen 3.101 N/A ASP 59.A N ALA 56.A O no hydrogen 3.382 N/A ARG 60.A N GLN 97.A OE1 no hydrogen 3.240 N/A ARG 60.A NE SER 206.A O no hydrogen 3.255 N/A ARG 60.A NH1 PRO 99.A O no hydrogen 3.422 N/A ARG 60.A NH2 GLY 98.A O no hydrogen 2.479 N/A ARG 60.A NH2 SER 206.A O no hydrogen 2.905 N/A TYR 61.A OH SER 206.A OG no hydrogen 2.830 N/A ILE 64.A N TYR 61.A O no hydrogen 3.279 N/A ASN 67.A ND2 ASN 43.A O no hydrogen 3.366 N/A SER 70.A OG ASN 67.A O no hydrogen 3.501 N/A SER 70.A OG ASP 243.A O no hydrogen 2.391 N/A ARG 71.A N PRO 68.A O no hydrogen 3.254 N/A VAL 72.A N ALA 80.A O no hydrogen 3.142 N/A GLY 75.A N GLN 113.A OE1 no hydrogen 2.696 N/A TYR 77.A OH ASP 59.A OD1 no hydrogen 2.607 N/A ASN 79.A ND2 ASP 59.A OD1 no hydrogen 2.557 N/A ASN 79.A ND2 ILE 64.A O no hydrogen 2.944 N/A ASN 81.A N ALA 95.A O no hydrogen 2.920 N/A ASN 81.A ND2 ASN 67.A O no hydrogen 2.872 N/A ASN 81.A ND2 SER 70.A OG no hydrogen 2.990 N/A TYR 82.A N SER 70.A O no hydrogen 2.913 N/A TYR 82.A OH GLU 114.A OE1 no hydrogen 2.662 N/A ILE 83.A N TYR 93.A O no hydrogen 2.796 N/A ARG 84.A N ASP 243.A OD1 no hydrogen 3.160 N/A ARG 84.A NE ASP 243.A OD1 no hydrogen 3.049 N/A ARG 84.A NH2 GLN 239.A O no hydrogen 3.132 N/A GLY 85.A N LYS 89.A O no hydrogen 2.856 N/A GLY 88.A N GLY 85.A O no hydrogen 2.986 N/A LYS 89.A N TYR 86.A O no hydrogen 3.237 N/A TYR 93.A N ILE 83.A O no hydrogen 3.276 N/A ILE 94.A N ILE 201.A O no hydrogen 2.937 N/A ALA 95.A N ASN 81.A O no hydrogen 3.107 N/A THR 96.A N VAL 203.A O no hydrogen 3.256 N/A THR 96.A OG1 ASN 79.A O no hydrogen 2.911 N/A THR 96.A OG1 GLN 97.A O no hydrogen 3.566 N/A GLN 97.A NE2 LYS 58.A O no hydrogen 2.846 N/A GLY 98.A N CYS 205.A O no hydrogen 3.093 N/A MET 100.A N THR 103.A OG1 no hydrogen 2.725 N/A ASN 102.A ND2 SER 57.A O no hydrogen 2.822 N/A THR 103.A N MET 100.A O no hydrogen 2.928 N/A THR 103.A OG1 MET 100.A O no hydrogen 3.339 N/A PHE 107.A N THR 103.A O no hydrogen 3.093 N/A TRP 108.A N VAL 104.A O no hydrogen 3.216 N/A TRP 108.A NE1 TYR 129.A O no hydrogen 2.701 N/A GLU 109.A N SER 105.A O no hydrogen 2.997 N/A MET 110.A N ASP 106.A O no hydrogen 2.809 N/A VAL 111.A N PHE 107.A O no hydrogen 2.946 N/A TRP 112.A N TRP 108.A O no hydrogen 2.881 N/A GLN 113.A N GLU 109.A O no hydrogen 2.920 N/A GLU 114.A N MET 110.A O no hydrogen 2.911 N/A GLU 115.A N TRP 112.A O no hydrogen 2.916 N/A VAL 116.A N VAL 111.A O no hydrogen 2.810 N/A ILE 119.A N LYS 170.A O no hydrogen 2.920 N/A VAL 120.A N VAL 202.A O no hydrogen 2.785 N/A MET 121.A N ILE 172.A O no hydrogen 2.780 N/A LEU 122.A N HIS 204.A O no hydrogen 2.917 N/A THR 123.A N PHE 174.A O no hydrogen 2.838 N/A GLN 124.A NE2 LEU 125.A O no hydrogen 3.491 N/A LEU 125.A N SER 175.A O no hydrogen 3.179 N/A TYR 129.A OH HIS 204.A NE2 no hydrogen 2.740 N/A GLU 135.A N ILE 142.A O no hydrogen 3.126 N/A TYR 137.A N PHE 140.A O no hydrogen 2.748 N/A PHE 140.A N TYR 137.A O no hydrogen 3.426 N/A GLN 141.A N GLN 161.A O no hydrogen 2.985 N/A ILE 142.A N GLU 135.A O no hydrogen 2.900 N/A ARG 143.A N THR 159.A O no hydrogen 3.211 N/A ARG 143.A NH1 GLN 141.A OE1 no hydrogen 3.363 N/A ILE 144.A N GLU 133.A O no hydrogen 2.902 N/A GLN 145.A N GLN 157.A O no hydrogen 2.514 N/A ASP 146.A N GLN 157.A O no hydrogen 3.102 N/A LYS 148.A N VAL 155.A O no hydrogen 2.959 N/A CYS 150.A N TYR 153.A O no hydrogen 2.847 N/A TYR 153.A OH GLU 195.A OE2 no hydrogen 2.519 N/A THR 154.A N LEU 173.A O no hydrogen 2.946 N/A VAL 155.A N LYS 148.A O no hydrogen 2.940 N/A ARG 156.A N HIS 171.A O no hydrogen 2.675 N/A GLN 157.A N ASP 146.A O no hydrogen 2.666 N/A LEU 158.A N VAL 169.A O no hydrogen 2.951 N/A THR 159.A N ARG 143.A O no hydrogen 2.875 N/A ILE 160.A N ARG 167.A O no hydrogen 2.737 N/A GLN 161.A N GLN 141.A O no hydrogen 2.960 N/A GLN 161.A NE2 GLN 163.A O no hydrogen 3.168 N/A TYR 162.A N GLU 165.A O no hydrogen 3.144 N/A GLU 165.A N TYR 162.A O no hydrogen 3.045 N/A ARG 167.A N ILE 160.A O no hydrogen 2.844 N/A ARG 167.A NH1 TRP 112.A O no hydrogen 2.729 N/A VAL 169.A N LEU 158.A O no hydrogen 2.792 N/A LYS 170.A N SER 117.A O no hydrogen 2.803 N/A LYS 170.A NZ GLU 195.A O no hydrogen 3.145 N/A LYS 170.A NZ GLU 195.A OE1 no hydrogen 3.238 N/A LYS 170.A NZ GLU 198.A OE2 no hydrogen 3.159 N/A HIS 171.A N ARG 156.A O no hydrogen 2.751 N/A HIS 171.A NE2 TYR 129.A OH no hydrogen 2.921 N/A ILE 172.A N ILE 119.A O no hydrogen 2.790 N/A LEU 173.A N THR 154.A O no hydrogen 2.936 N/A PHE 174.A N MET 121.A O no hydrogen 2.742 N/A SER 175.A N GLU 152.A O no hydrogen 2.777 N/A SER 175.A OG GLU 152.A O no hydrogen 3.049 N/A TRP 177.A N THR 123.A O no hydrogen 2.925 N/A TRP 177.A NE1 GLN 181.A O no hydrogen 2.911 N/A HIS 180.A ND1 GLN 249.A OE1 no hydrogen 3.044 N/A GLN 181.A N PRO 178.A O no hydrogen 3.196 N/A THR 182.A OG1 GLU 252.A OE2 no hydrogen 3.272 N/A LEU 190.A N ALA 186.A O no hydrogen 3.113 N/A LEU 190.A N GLY 187.A O no hydrogen 2.962 N/A ARG 191.A N GLY 187.A O no hydrogen 3.060 N/A LEU 192.A N PRO 188.A O no hydrogen 3.148 N/A VAL 193.A N LEU 189.A O no hydrogen 3.139 N/A ALA 194.A N LEU 190.A O no hydrogen 2.939 N/A GLU 195.A N ARG 191.A O no hydrogen 2.959 N/A VAL 196.A N LEU 192.A O no hydrogen 3.024 N/A GLU 197.A N ALA 194.A O no hydrogen 3.293 N/A ILE 201.A N VAL 92.A O no hydrogen 2.882 N/A VAL 202.A N LEU 118.A O no hydrogen 2.957 N/A VAL 203.A N ILE 94.A O no hydrogen 2.838 N/A HIS 204.A N VAL 120.A O no hydrogen 3.015 N/A HIS 204.A NE2 TYR 129.A OH no hydrogen 2.740 N/A CYS 205.A SG THR 212.A OG1 no hydrogen 2.887 N/A SER 206.A OG TYR 61.A OH no hydrogen 2.830 N/A ARG 211.A NH1 TRP 177.A O no hydrogen 2.989 N/A GLY 213.A N ILE 209.A O no hydrogen 3.044 N/A CYS 214.A N GLY 210.A O no hydrogen 3.041 N/A CYS 214.A SG GLY 210.A O no hydrogen 3.347 N/A PHE 215.A N ARG 211.A O no hydrogen 2.865 N/A ILE 216.A N THR 212.A O no hydrogen 3.285 N/A ALA 217.A N GLY 213.A O no hydrogen 2.998 N/A THR 218.A N CYS 214.A O no hydrogen 3.073 N/A THR 218.A OG1 CYS 214.A O no hydrogen 2.550 N/A ARG 219.A N PHE 215.A O no hydrogen 3.040 N/A ARG 219.A NE TYR 93.A OH no hydrogen 2.980 N/A ARG 219.A NH2 TYR 93.A OH no hydrogen 3.454 N/A ILE 220.A N ILE 216.A O no hydrogen 3.097 N/A GLY 221.A N ALA 217.A O no hydrogen 3.007 N/A CYS 222.A N THR 218.A O no hydrogen 2.964 N/A CYS 222.A SG THR 218.A O no hydrogen 3.196 N/A GLN 223.A N ARG 219.A O no hydrogen 2.796 N/A GLN 224.A N ILE 220.A O no hydrogen 2.788 N/A LEU 225.A N GLY 221.A O no hydrogen 2.956 N/A LYS 226.A N CYS 222.A O no hydrogen 2.880 N/A ALA 227.A N GLN 223.A O no hydrogen 2.984 N/A ARG 228.A N GLN 224.A O no hydrogen 2.872 N/A ARG 228.A NE TYR 86.A OH no hydrogen 3.138 N/A ARG 228.A NH1 GLU 230.A OE2 no hydrogen 3.258 N/A ARG 228.A NH2 ASP 87.A OD1 no hydrogen 3.335 N/A GLY 229.A N LEU 225.A O no hydrogen 3.045 N/A VAL 231.A N LEU 18.A O no hydrogen 2.987 N/A ASP 232.A N GLN 224.A OE1 no hydrogen 2.827 N/A GLY 235.A N ASP 232.A OD2 no hydrogen 3.136 N/A ILE 236.A N ASP 232.A O no hydrogen 3.059 N/A VAL 237.A N ILE 233.A O no hydrogen 2.959 N/A CYS 238.A N LEU 234.A O no hydrogen 2.853 N/A CYS 238.A SG LEU 234.A O no hydrogen 3.388 N/A GLN 239.A N GLY 235.A O no hydrogen 2.861 N/A LEU 240.A N ILE 236.A O no hydrogen 3.083 N/A ARG 241.A N VAL 237.A O no hydrogen 3.031 N/A ARG 241.A NE MET 247.A O no hydrogen 3.003 N/A ARG 241.A NH1 PRO 41.A O no hydrogen 2.991 N/A ARG 241.A NH2 MET 247.A O no hydrogen 3.415 N/A ARG 241.A NH2 ILE 248.A O no hydrogen 2.946 N/A LEU 242.A N CYS 238.A O no hydrogen 3.044 N/A ASP 243.A N LEU 240.A O no hydrogen 2.681 N/A ARG 244.A N LEU 240.A O no hydrogen 2.860 N/A ARG 244.A NE GLY 208.A O no hydrogen 2.999 N/A ARG 244.A NH1 ASN 79.A OD1 no hydrogen 2.902 N/A ARG 244.A NH1 ASN 81.A OD1 no hydrogen 2.805 N/A ARG 244.A NH2 ASN 79.A OD1 no hydrogen 3.092 N/A ARG 244.A NH2 ALA 207.A O no hydrogen 3.053 N/A GLY 245.A N ASN 67.A OD1 no hydrogen 3.148 N/A GLY 246.A N SER 42.A O no hydrogen 2.973 N/A ILE 248.A N ILE 209.A O no hydrogen 2.799 N/A GLN 249.A N GLN 253.A OE1 no hydrogen 2.778 N/A GLN 249.A NE2 HIS 180.A ND1 no hydrogen 3.136 N/A THR 250.A N GLN 253.A OE1 no hydrogen 3.257 N/A GLN 253.A N THR 250.A OG1 no hydrogen 3.202 N/A GLN 253.A NE2 GLN 181.A O no hydrogen 3.174 N/A TYR 254.A N THR 250.A O no hydrogen 3.184 N/A TYR 254.A OH GLU 36.A OE2 no hydrogen 2.397 N/A GLN 255.A N ALA 251.A O no hydrogen 2.869 N/A GLN 255.A NE2 PRO 30.A O no hydrogen 2.734 N/A PHE 256.A N GLU 252.A O no hydrogen 2.999 N/A LEU 257.A N GLN 253.A O no hydrogen 3.174 N/A HIS 258.A N TYR 254.A O no hydrogen 3.385 N/A HIS 258.A ND1 TYR 254.A O no hydrogen 2.933 N/A HIS 259.A N GLN 255.A O no hydrogen 3.134 N/A THR 260.A N PHE 256.A O no hydrogen 2.542 N/A THR 260.A OG1 PHE 256.A O no hydrogen 2.678 N/A LEU 261.A N LEU 257.A O no hydrogen 2.963 N/A ALA 262.A N HIS 258.A O no hydrogen 2.864 N/A LEU 263.A N HIS 259.A O no hydrogen 3.084 N/A TYR 264.A N THR 260.A O no hydrogen 3.126 N/A ALA 265.A N LEU 261.A O no hydrogen 3.055 N/A GLY 266.A N ALA 262.A O no hydrogen 3.074 N/A GLN 267.A N LEU 263.A O no hydrogen 2.966 N/A GLN 267.A N TYR 264.A O no hydrogen 3.281 N/A LEU 268.A N ALA 265.A O no hydrogen 3.135 N/A