Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2r3a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N ALA 1.A O no hydrogen 3.290 N/A LYS 6.A N GLU 2.A O no hydrogen 3.003 N/A LYS 7.A N TYR 3.A O no hydrogen 2.871 N/A LYS 7.A NZ GLN 10.A OE1 no hydrogen 2.918 N/A LYS 7.A NZ ASN 35.A O no hydrogen 3.268 N/A LYS 7.A NZ ASP 38.A O no hydrogen 3.268 N/A ALA 8.A N ILE 4.A O no hydrogen 3.116 N/A LYS 9.A N VAL 5.A O no hydrogen 3.015 N/A GLN 10.A N LYS 6.A O no hydrogen 2.825 N/A GLN 10.A NE2 ASP 38.A O no hydrogen 2.868 N/A GLN 10.A NE2 GLU 40.A O no hydrogen 2.902 N/A ARG 11.A N LYS 7.A O no hydrogen 2.985 N/A ILE 12.A N ALA 8.A O no hydrogen 3.479 N/A ALA 13.A N LYS 9.A O no hydrogen 2.894 N/A LEU 14.A N GLN 10.A O no hydrogen 2.892 N/A GLN 15.A N ARG 11.A O no hydrogen 3.051 N/A GLN 15.A NE2 ASP 19.A OD1 no hydrogen 3.170 N/A ARG 16.A N ILE 12.A O no hydrogen 2.939 N/A TRP 17.A N ALA 13.A O no hydrogen 2.939 N/A GLN 18.A N LEU 14.A O no hydrogen 2.881 N/A ASP 19.A N GLN 15.A O no hydrogen 2.998 N/A GLU 20.A N ARG 16.A O no hydrogen 3.012 N/A LEU 21.A N TRP 17.A O no hydrogen 2.870 N/A ASN 22.A N GLN 18.A O no hydrogen 2.982 N/A ASN 22.A ND2 GLN 18.A O no hydrogen 2.933 N/A ASN 22.A ND2 ILE 31.A O no hydrogen 2.753 N/A ARG 23.A N ASP 19.A O no hydrogen 3.048 N/A ARG 23.A NE GLU 20.A OE1 no hydrogen 3.271 N/A ARG 23.A NH2 GLU 20.A OE1 no hydrogen 2.894 N/A ARG 24.A N GLU 20.A O no hydrogen 2.967 N/A LYS 25.A N LEU 21.A O no hydrogen 2.938 N/A LYS 25.A NZ HIS 27.A O no hydrogen 2.823 N/A LYS 25.A NZ GLY 29.A O no hydrogen 2.683 N/A ASN 26.A N ASN 50.A OD1 no hydrogen 2.850 N/A GLY 29.A N THR 122.A O no hydrogen 3.179 N/A MET 30.A N SER 125.A OG no hydrogen 3.021 N/A ILE 31.A N ASN 22.A OD1 no hydrogen 2.826 N/A PHE 32.A N LEU 126.A O no hydrogen 2.840 N/A VAL 33.A N GLN 18.A OE1 no hydrogen 3.002 N/A GLU 34.A N ILE 128.A O no hydrogen 2.881 N/A ASN 35.A ND2 ASP 38.A OD1 no hydrogen 2.783 N/A ASN 35.A ND2 GLU 40.A O no hydrogen 3.033 N/A VAL 37.A N ASN 35.A OD1 no hydrogen 2.920 N/A ASP 38.A N ASN 35.A OD1 no hydrogen 2.989 N/A GLU 40.A N ASP 38.A OD1 no hydrogen 2.907 N/A TYR 47.A N ARG 195.A O no hydrogen 2.815 N/A TYR 47.A OH ASP 45.A OD1 no hydrogen 3.004 N/A ILE 49.A N GLY 197.A O no hydrogen 2.822 N/A ASN 50.A ND2 ARG 24.A O no hydrogen 2.842 N/A TYR 52.A OH PRO 226.A O no hydrogen 2.640 N/A LYS 53.A N GLY 156.A O no hydrogen 3.032 N/A ALA 55.A N VAL 158.A O no hydrogen 2.911 N/A ILE 58.A N ALA 55.A O no hydrogen 2.951 N/A CYS 67.A SG LYS 74.A O no hydrogen 3.423 N/A THR 68.A N GLN 73.A OE1 no hydrogen 2.831 N/A THR 68.A OG1 GLN 73.A OE1 no hydrogen 3.555 N/A ASP 69.A N GLN 73.A OE1 no hydrogen 3.212 N/A PHE 72.A N ASP 69.A O no hydrogen 3.191 N/A GLN 73.A N ASP 69.A O no hydrogen 2.912 N/A GLU 79.A N CYS 75.A O no hydrogen 3.089 N/A ALA 80.A N CYS 76.A O no hydrogen 3.085 N/A GLY 81.A N ALA 78.A O no hydrogen 2.886 N/A VAL 82.A N PRO 77.A O no hydrogen 2.949 N/A TYR 86.A OH GLU 102.A OE2 no hydrogen 2.666 N/A ASN 87.A N GLN 91.A O no hydrogen 2.958 N/A ASN 87.A ND2 GLN 91.A OE1 no hydrogen 3.120 N/A ASN 89.A N ASN 87.A OD1 no hydrogen 2.756 N/A GLN 90.A N ASN 87.A O no hydrogen 3.255 N/A GLN 91.A N ASN 87.A OD1 no hydrogen 3.039 N/A GLN 91.A NE2 ARG 147.A O no hydrogen 2.805 N/A ILE 92.A N MET 148.A O no hydrogen 2.876 N/A LYS 93.A N ALA 85.A O no hydrogen 2.661 N/A LYS 93.A NZ LEU 84.A O no hydrogen 2.861 N/A THR 98.A N PRO 95.A O no hydrogen 3.171 N/A THR 98.A OG1 PRO 95.A O no hydrogen 2.794 N/A ILE 100.A N ASN 215.A O no hydrogen 2.836 N/A GLU 102.A N PHE 217.A O no hydrogen 2.981 N/A CYS 103.A N ASN 115.A O no hydrogen 3.144 N/A CYS 103.A SG ASN 115.A OD1 no hydrogen 3.667 N/A ASN 104.A ND2 PHE 63.A O no hydrogen 3.616 N/A ASN 104.A ND2 ILE 218.A O no hydrogen 3.507 N/A SER 105.A N ASP 219.A OD1 no hydrogen 2.985 N/A SER 105.A OG ASP 219.A OD1 no hydrogen 2.737 N/A ARG 106.A N ASN 104.A OD1 no hydrogen 2.829 N/A CYS 107.A N ASN 104.A O no hydrogen 3.101 N/A GLN 108.A N CYS 65.A O no hydrogen 3.220 N/A CYS 113.A N GLY 110.A O no hydrogen 3.134 N/A ASN 115.A ND2 TYR 101.A O no hydrogen 3.475 N/A ARG 116.A N CYS 113.A O no hydrogen 3.005 N/A ARG 116.A NH1 ASN 104.A O no hydrogen 3.391 N/A ARG 116.A NH1 GLN 119.A OE1 no hydrogen 2.754 N/A ARG 116.A NH2 ASN 104.A O no hydrogen 2.753 N/A ARG 116.A NH2 CYS 109.A O no hydrogen 3.069 N/A ILE 117.A N GLU 102.A OE1 no hydrogen 3.193 N/A ILE 117.A N GLU 102.A OE2 no hydrogen 3.072 N/A VAL 118.A N GLU 102.A OE2 no hydrogen 2.738 N/A GLN 119.A N GLU 102.A OE1 no hydrogen 3.285 N/A GLN 119.A NE2 GLU 102.A OE1 no hydrogen 2.815 N/A GLN 119.A NE2 CYS 103.A O no hydrogen 2.785 N/A LYS 120.A N ILE 117.A O no hydrogen 3.086 N/A LYS 120.A NZ ASP 112.A OD1 no hydrogen 3.271 N/A GLY 121.A N VAL 118.A O no hydrogen 2.987 N/A THR 122.A OG1 VAL 151.A O no hydrogen 2.619 N/A LEU 126.A N MET 30.A O no hydrogen 3.002 N/A CYS 127.A N LYS 140.A O no hydrogen 2.837 N/A CYS 127.A SG ILE 128.A O no hydrogen 3.767 N/A ILE 128.A N PHE 32.A O no hydrogen 2.758 N/A PHE 129.A N GLY 138.A O no hydrogen 2.932 N/A ARG 130.A N GLU 34.A O no hydrogen 3.031 N/A ARG 130.A NE ASP 38.A OD2 no hydrogen 2.754 N/A ARG 130.A NH2 ASP 38.A OD2 no hydrogen 3.360 N/A THR 131.A N GLY 136.A O no hydrogen 2.780 N/A THR 131.A OG1 GLY 136.A O no hydrogen 2.861 N/A ASN 133.A ND2 LYS 259.A O no hydrogen 3.459 N/A ARG 135.A N THR 131.A OG1 no hydrogen 2.968 N/A ARG 135.A NE ASN 133.A OD1 no hydrogen 2.845 N/A ARG 135.A NH1 GLU 241.A OE1 no hydrogen 2.765 N/A ARG 135.A NH1 GLU 241.A OE2 no hydrogen 3.116 N/A ARG 135.A NH2 ASN 133.A OD1 no hydrogen 3.282 N/A ARG 135.A NH2 GLU 241.A OE1 no hydrogen 3.209 N/A GLY 138.A N PHE 129.A O no hydrogen 2.854 N/A LYS 140.A N CYS 127.A O no hydrogen 2.900 N/A LYS 140.A NZ GLU 34.A OE2 no hydrogen 3.485 N/A THR 141.A N GLU 240.A O no hydrogen 3.050 N/A THR 141.A OG1 VAL 143.A O no hydrogen 2.759 N/A LEU 142.A N SER 125.A O no hydrogen 3.095 N/A VAL 143.A N THR 141.A OG1 no hydrogen 3.237 N/A ILE 145.A N ILE 236.A O no hydrogen 2.810 N/A MET 148.A N SER 232.A O no hydrogen 3.137 N/A SER 149.A N SER 232.A OG no hydrogen 3.027 N/A SER 149.A OG LYS 146.A O no hydrogen 3.056 N/A SER 149.A OG ARG 147.A O no hydrogen 3.287 N/A VAL 151.A N LEU 230.A O no hydrogen 2.828 N/A MET 152.A N LEU 230.A O no hydrogen 3.425 N/A TYR 154.A N ILE 228.A O no hydrogen 2.947 N/A TYR 154.A OH TYR 178.A O no hydrogen 3.390 N/A GLU 157.A N ASP 192.A O no hydrogen 2.883 N/A VAL 158.A N LYS 53.A O no hydrogen 2.999 N/A ILE 159.A N THR 190.A O no hydrogen 2.914 N/A THR 160.A N GLU 163.A OE2 no hydrogen 2.842 N/A SER 161.A N GLU 188.A O no hydrogen 2.585 N/A GLU 163.A N THR 160.A OG1 no hydrogen 3.075 N/A ALA 164.A N THR 160.A O no hydrogen 3.130 N/A GLU 165.A N SER 161.A O no hydrogen 3.023 N/A ARG 166.A N GLU 162.A O no hydrogen 3.090 N/A ARG 167.A N GLU 163.A O no hydrogen 2.831 N/A ARG 167.A NH1 GLU 157.A OE1 no hydrogen 2.968 N/A ARG 167.A NH1 ASP 192.A OD2 no hydrogen 2.719 N/A ARG 167.A NH2 GLU 157.A OE2 no hydrogen 3.005 N/A GLY 168.A N ALA 164.A O no hydrogen 2.698 N/A GLN 169.A N GLU 165.A O no hydrogen 3.242 N/A PHE 170.A N ARG 167.A O no hydrogen 3.037 N/A TYR 171.A N GLY 168.A O no hydrogen 2.818 N/A TYR 171.A OH ASP 192.A OD2 no hydrogen 2.494 N/A ASN 173.A ND2 VAL 254.A O no hydrogen 2.694 N/A ASN 173.A ND2 THR 256.A OG1 no hydrogen 3.113 N/A LYS 174.A NZ TYR 178.A OH no hydrogen 3.076 N/A GLY 175.A N ASP 172.A OD1 no hydrogen 2.730 N/A ILE 176.A N ASP 172.A O no hydrogen 3.165 N/A THR 177.A N ASN 173.A O no hydrogen 3.264 N/A THR 177.A OG1 LYS 174.A O no hydrogen 2.397 N/A TYR 178.A N GLY 175.A O no hydrogen 3.082 N/A LEU 179.A N ILE 176.A O no hydrogen 3.004 N/A PHE 180.A N VAL 191.A O no hydrogen 2.718 N/A LEU 182.A N PHE 189.A O no hydrogen 2.926 N/A GLU 188.A N SER 186.A OG no hydrogen 3.183 N/A THR 190.A N ILE 159.A O no hydrogen 2.926 N/A THR 190.A OG1 ASP 181.A OD1 no hydrogen 2.987 N/A VAL 191.A N PHE 180.A O no hydrogen 2.691 N/A ASP 192.A N GLU 157.A O no hydrogen 2.795 N/A ALA 193.A N TYR 178.A O no hydrogen 2.884 N/A ALA 194.A N ASP 192.A OD1 no hydrogen 2.823 N/A ARG 195.A NE ASP 45.A OD1 no hydrogen 3.178 N/A ARG 195.A NE ASP 45.A OD2 no hydrogen 2.954 N/A ARG 195.A NH2 ASP 45.A OD1 no hydrogen 3.201 N/A GLY 197.A N TYR 47.A O no hydrogen 3.203 N/A ASN 198.A ND2 GLU 153.A O no hydrogen 3.074 N/A SER 200.A N ASN 198.A OD1 no hydrogen 2.977 N/A SER 200.A OG GLU 153.A O no hydrogen 3.439 N/A SER 200.A OG ASN 198.A OD1 no hydrogen 2.532 N/A HIS 201.A N ASN 198.A O no hydrogen 3.036 N/A HIS 201.A ND1 ALA 193.A O no hydrogen 2.724 N/A PHE 202.A N VAL 199.A O no hydrogen 2.867 N/A VAL 203.A N SER 200.A O no hydrogen 3.287 N/A ASN 204.A ND2 ARG 135.A O no hydrogen 3.586 N/A ASN 204.A ND2 TRP 137.A O no hydrogen 3.396 N/A SER 206.A N PHE 244.A O no hydrogen 3.041 N/A CYS 207.A SG HIS 205.A NE2 no hydrogen 3.428 N/A ASP 208.A N SER 206.A OG no hydrogen 3.012 N/A ASN 210.A N THR 243.A OG1 no hydrogen 3.222 N/A ASN 210.A ND2 GLU 240.A OE2 no hydrogen 3.079 N/A ASN 210.A ND2 GLU 241.A O no hydrogen 2.894 N/A LEU 211.A N THR 243.A O no hydrogen 2.898 N/A GLN 212.A N PHE 231.A O no hydrogen 2.896 N/A PHE 214.A N ALA 229.A O no hydrogen 2.824 N/A VAL 216.A N ARG 227.A O no hydrogen 2.789 N/A PHE 217.A N ILE 100.A O no hydrogen 2.809 N/A ILE 218.A N ASN 220.A OD1.A no hydrogen 3.102 N/A ASN 220.A ND2.A VAL 216.A O no hydrogen 3.132 N/A ASN 220.A ND2.A LEU 225.A O no hydrogen 3.337 N/A ASN 220.A ND2.B ASP 222.A O no hydrogen 2.665 N/A THR 223.A OG1 GLU 185.A OE1 no hydrogen 2.629 N/A ARG 224.A N ASP 222.A OD1 no hydrogen 3.060 N/A ARG 224.A NE ASP 222.A OD1 no hydrogen 3.251 N/A ARG 224.A NE ASP 222.A OD2 no hydrogen 2.996 N/A ARG 224.A NH1 GLU 188.A OE2 no hydrogen 2.805 N/A ARG 224.A NH2 ASP 222.A OD2 no hydrogen 2.757 N/A LEU 225.A N ASP 222.A O no hydrogen 2.900 N/A ARG 227.A N VAL 216.A O no hydrogen 2.857 N/A ARG 227.A NE GLU 153.A OE1 no hydrogen 2.978 N/A ARG 227.A NH2 GLU 153.A OE2 no hydrogen 2.861 N/A ALA 229.A N PHE 214.A O no hydrogen 2.924 N/A LEU 230.A N MET 152.A O no hydrogen 2.786 N/A PHE 231.A N GLN 212.A O no hydrogen 2.965 N/A SER 232.A N SER 149.A O no hydrogen 2.806 N/A SER 232.A OG LYS 146.A O no hydrogen 2.661 N/A SER 232.A OG ARG 234.A O no hydrogen 3.548 N/A THR 233.A N ASN 210.A O no hydrogen 2.980 N/A THR 233.A OG1 PRO 209.A O no hydrogen 3.291 N/A ARG 234.A NH1 ASP 208.A O no hydrogen 2.826 N/A ARG 234.A NH2 ASP 208.A OD1 no hydrogen 3.346 N/A ILE 236.A N ILE 145.A O no hydrogen 2.905 N/A ASN 237.A N GLU 240.A OE1 no hydrogen 2.911 N/A GLY 239.A N THR 141.A O no hydrogen 2.720 N/A GLU 240.A N ASN 237.A O no hydrogen 2.994 N/A LEU 242.A N VAL 139.A O no hydrogen 2.733 N/A THR 243.A N ASN 210.A OD1 no hydrogen 2.923 N/A THR 243.A OG1 ASN 210.A OD1 no hydrogen 3.537 N/A PHE 244.A N ASN 204.A O no hydrogen 3.278 N/A TYR 246.A N HIS 205.A ND1 no hydrogen 2.997 N/A TYR 246.A OH VAL 203.A O no hydrogen 2.711 N/A GLN 247.A N ASP 245.A OD1 no hydrogen 2.920 N/A GLN 247.A NE2 LEU 269.A O no hydrogen 3.303 N/A MET 248.A N ASP 245.A O no hydrogen 2.752 N/A LYS 249.A NZ THR 177.A O no hydrogen 2.731 N/A LYS 249.A NZ LEU 179.A O no hydrogen 2.895 N/A ARG 253.A NH1 GLY 168.A O no hydrogen 3.469 N/A ARG 253.A NH2 TYR 171.A O no hydrogen 2.805 N/A THR 256.A N ASN 270.A OD1 no hydrogen 3.133 N/A CYS 258.A N GLY 267.A O no hydrogen 2.834 N/A LYS 259.A NZ ASN 133.A O no hydrogen 3.250 N/A CYS 265.A N ALA 262.A O no hydrogen 2.905 N/A CYS 265.A SG CYS 258.A O no hydrogen 3.762 N/A ARG 266.A NH1 ASP 245.A OD2 no hydrogen 2.796 N/A ARG 266.A NH2 ASP 245.A OD1 no hydrogen 2.938 N/A ARG 266.A NH2 ASP 245.A OD2 no hydrogen 3.403 N/A LEU 269.A N THR 256.A O no hydrogen 2.898 N/A ASN 270.A ND2 VAL 254.A O no hydrogen 3.221 N/A