Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kcm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N GLU 210.A OE1 no hydrogen 3.170 N/A VAL 1.A N GLU 210.A OE2 no hydrogen 3.223 N/A LEU 2.A N VAL 198.A O no hydrogen 2.874 N/A LYS 4.A N VAL 196.A O no hydrogen 3.070 N/A GLU 5.A N GLU 137.A O no hydrogen 2.872 N/A TYR 6.A N LYS 194.A O no hydrogen 2.785 N/A TYR 6.A OH HIS 214.A ND1 no hydrogen 2.725 N/A ARG 7.A N ILE 139.A O no hydrogen 2.778 N/A ARG 7.A NE GLU 5.A OE1 no hydrogen 2.732 N/A ARG 7.A NH1 GLU 123.A OE1 no hydrogen 3.417 N/A ARG 7.A NH1 GLU 123.A OE2 no hydrogen 2.905 N/A ARG 7.A NH1 TYR 140.A OH no hydrogen 3.054 N/A ARG 7.A NH2 GLU 5.A OE1 no hydrogen 3.029 N/A ARG 7.A NH2 GLU 123.A OE1 no hydrogen 2.914 N/A VAL 8.A N ALA 192.A O no hydrogen 2.978 N/A LEU 10.A N MET 190.A O no hydrogen 2.876 N/A SER 13.A N GLU 16.A OE1 no hydrogen 2.882 N/A GLU 16.A N SER 13.A OG no hydrogen 2.874 N/A TYR 17.A N SER 13.A O no hydrogen 2.874 N/A GLN 18.A N VAL 14.A O no hydrogen 3.460 N/A GLY 20.A N GLU 16.A O no hydrogen 2.912 N/A GLN 21.A N TYR 17.A O no hydrogen 2.810 N/A LEU 22.A N GLN 18.A O no hydrogen 3.303 N/A TYR 23.A N VAL 19.A O no hydrogen 2.933 N/A SER 24.A N GLY 20.A O no hydrogen 2.792 N/A SER 24.A OG GLY 20.A O no hydrogen 2.779 N/A VAL 25.A N GLN 21.A O no hydrogen 2.950 N/A ALA 26.A N LEU 22.A O no hydrogen 3.378 N/A GLU 27.A N TYR 23.A O no hydrogen 2.880 N/A ALA 28.A N SER 24.A O no hydrogen 2.721 N/A SER 29.A N VAL 25.A O no hydrogen 3.136 N/A SER 29.A N ALA 26.A O no hydrogen 2.895 N/A SER 29.A OG VAL 25.A O no hydrogen 3.330 N/A SER 29.A OG ALA 26.A O no hydrogen 2.976 N/A LYS 30.A N GLU 27.A O no hydrogen 3.396 N/A GLU 32.A N SER 29.A O no hydrogen 2.944 N/A GLU 37.A N GLY 34.A O no hydrogen 2.734 N/A GLU 40.A N ILE 61.A O no hydrogen 2.935 N/A LEU 42.A N HIS 59.A O no hydrogen 2.668 N/A VAL 43.A N HIS 59.A O no hydrogen 3.137 N/A GLU 45.A N TYR 57.A O no hydrogen 2.951 N/A TYR 47.A N GLY 55.A O no hydrogen 2.879 N/A TYR 47.A OH GLU 53.A OE2 no hydrogen 2.535 N/A LYS 49.A N GLU 53.A O no hydrogen 2.854 N/A GLY 52.A N LYS 49.A O no hydrogen 2.925 N/A GLU 53.A N ASP 51.A OD1 no hydrogen 3.024 N/A GLY 55.A N TYR 47.A O no hydrogen 3.103 N/A GLN 56.A N ASN 89.A O no hydrogen 2.982 N/A GLN 56.A NE2 ASN 44.A OD1 no hydrogen 2.977 N/A TYR 57.A N GLU 45.A O no hydrogen 2.804 N/A THR 58.A N ALA 87.A O no hydrogen 2.933 N/A HIS 59.A N VAL 43.A O no hydrogen 2.951 N/A HIS 59.A NE2 HIS 84.A ND1 no hydrogen 3.026 N/A LYS 60.A N GLU 85.A O no hydrogen 2.889 N/A ILE 61.A N GLU 40.A O no hydrogen 2.837 N/A TYR 62.A N ILE 83.A O no hydrogen 2.736 N/A TYR 62.A OH GLU 85.A OE2 no hydrogen 3.374 N/A HIS 63.A N GLY 38.A O no hydrogen 2.952 N/A HIS 63.A NE2 GLU 40.A OE1 no hydrogen 2.801 N/A LEU 64.A N LEU 81.A O no hydrogen 2.836 N/A GLN 65.A N GLN 65.A OE1 no hydrogen 2.784 N/A GLN 65.A NE2 HIS 63.A ND1 no hydrogen 3.541 N/A LYS 67.A N LEU 64.A O no hydrogen 3.175 N/A ARG 73.A N PRO 69.A O no hydrogen 2.409 N/A MET 74.A N THR 70.A O no hydrogen 2.586 N/A ALA 80.A N PRO 77.A O no hydrogen 3.010 N/A ASN 82.A N GLY 79.A O no hydrogen 3.139 N/A ASN 82.A ND2 LEU 81.A O no hydrogen 3.295 N/A ILE 83.A N TYR 62.A O no hydrogen 3.040 N/A HIS 84.A N THR 99.A O no hydrogen 2.901 N/A HIS 84.A ND1 HIS 59.A NE2 no hydrogen 3.026 N/A HIS 84.A NE2 GLU 101.A OE2 no hydrogen 2.677 N/A GLU 85.A N LYS 60.A O no hydrogen 2.802 N/A LYS 86.A N VAL 97.A O no hydrogen 2.955 N/A ALA 87.A N THR 58.A O no hydrogen 2.983 N/A TRP 88.A N ARG 95.A O no hydrogen 2.841 N/A ASN 89.A N GLN 56.A O no hydrogen 2.799 N/A ALA 90.A N TYR 93.A O no hydrogen 2.970 N/A TYR 91.A N ASN 89.A OD1 no hydrogen 3.089 N/A TYR 91.A OH VAL 14.A O no hydrogen 2.628 N/A TYR 93.A N ALA 90.A O no hydrogen 2.910 N/A CYS 94.A N THR 113.A O no hydrogen 3.029 N/A ARG 95.A N TRP 88.A O no hydrogen 3.034 N/A ARG 95.A NE GLU 112.A OE2 no hydrogen 2.864 N/A ARG 95.A NH1 GLU 53.A OE2 no hydrogen 2.968 N/A ARG 95.A NH2 GLU 53.A OE1 no hydrogen 2.935 N/A THR 96.A N ILE 111.A O no hydrogen 2.869 N/A VAL 97.A N LYS 86.A O no hydrogen 2.765 N/A ILE 98.A N ILE 109.A O no hydrogen 2.845 N/A THR 99.A N HIS 84.A O no hydrogen 3.054 N/A ASN 100.A ND2 ALA 80.A O no hydrogen 2.810 N/A GLU 101.A N ASN 82.A O no hydrogen 3.185 N/A TYR 102.A N GLY 79.A O no hydrogen 3.293 N/A TYR 102.A N ASN 100.A OD1 no hydrogen 2.908 N/A MET 103.A N ASN 100.A OD1 no hydrogen 3.263 N/A LYS 104.A N ASN 100.A O no hydrogen 3.044 N/A ASP 106.A N MET 103.A O no hydrogen 2.929 N/A LEU 108.A N LYS 199.A O no hydrogen 2.829 N/A ILE 109.A N ILE 98.A O no hydrogen 3.114 N/A LYS 110.A N THR 197.A O no hydrogen 2.852 N/A ILE 111.A N THR 96.A O no hydrogen 2.886 N/A GLU 112.A N LEU 195.A O no hydrogen 2.900 N/A THR 113.A N CYS 94.A O no hydrogen 2.839 N/A TRP 114.A N TYR 193.A O no hydrogen 3.171 N/A HIS 115.A N PRO 92.A O no hydrogen 2.929 N/A HIS 115.A ND1 PRO 92.A O no hydrogen 2.901 N/A LYS 116.A N CYS 191.A O no hydrogen 3.018 N/A GLY 120.A N ASP 118.A OD1 no hydrogen 2.871 N/A GLN 122.A N TYR 193.A OH no hydrogen 2.997 N/A GLN 122.A NE2 ASP 118.A OD2 no hydrogen 2.963 N/A ASN 124.A ND2 LEU 128.A O no hydrogen 2.761 N/A HIS 126.A NE2 TYR 193.A O no hydrogen 2.964 N/A LYS 127.A N ASN 124.A O no hydrogen 3.113 N/A LEU 128.A N ASN 124.A OD1 no hydrogen 2.713 N/A TRP 133.A N GLU 129.A O no hydrogen 3.035 N/A LYS 134.A N PRO 130.A O no hydrogen 3.235 N/A LYS 134.A NZ GLU 131.A OE2 no hydrogen 2.753 N/A HIS 135.A N ALA 132.A O no hydrogen 3.013 N/A VAL 136.A N TRP 133.A O no hydrogen 3.142 N/A ILE 139.A N GLU 5.A O no hydrogen 2.743 N/A TYR 140.A OH GLY 120.A O no hydrogen 2.730 N/A ILE 141.A N ARG 7.A O no hydrogen 3.092 N/A ASP 142.A N GLN 148.A OE1 no hydrogen 3.014 N/A ALA 144.A N ASP 142.A OD1 no hydrogen 3.059 N/A ASP 145.A N ASP 142.A O no hydrogen 3.270 N/A SER 147.A N ASP 145.A OD1 no hydrogen 2.831 N/A SER 147.A OG ASP 145.A OD1 no hydrogen 2.831 N/A SER 147.A OG ASP 145.A OD2 no hydrogen 3.333 N/A GLN 148.A N ASP 145.A O no hydrogen 3.047 N/A GLN 148.A NE2 ASP 145.A OD2 no hydrogen 3.304 N/A VAL 149.A N ARG 146.A O no hydrogen 3.140 N/A ASP 153.A N LEU 150.A O no hydrogen 2.767 N/A TYR 154.A N SER 151.A O no hydrogen 3.227 N/A TYR 154.A OH ASP 159.A OD2 no hydrogen 2.557 N/A GLU 157.A N GLU 157.A OE1 no hydrogen 2.924 N/A GLU 158.A N LYS 155.A O no hydrogen 2.926 N/A ASP 159.A N ALA 156.A O no hydrogen 3.308 N/A ALA 161.A N ASP 159.A OD1 no hydrogen 2.841 N/A LYS 162.A N ASP 159.A O no hydrogen 2.885 N/A LYS 162.A NZ TYR 154.A OH no hydrogen 2.639 N/A LYS 162.A NZ ASP 159.A OD2 no hydrogen 2.909 N/A LYS 164.A NZ GLY 169.A O no hydrogen 2.828 N/A LYS 164.A NZ GLY 171.A O no hydrogen 3.212 N/A SER 165.A N ARG 170.A O no hydrogen 2.849 N/A SER 165.A OG THR 168.A OG1 no hydrogen 2.780 N/A SER 165.A OG ASP 233.A OD1 no hydrogen 2.597 N/A VAL 166.A N ASP 233.A OD2 no hydrogen 2.705 N/A LYS 167.A N ASP 233.A OD1 no hydrogen 2.960 N/A LYS 167.A NZ ASP 233.A O no hydrogen 2.796 N/A THR 168.A N SER 165.A OG no hydrogen 2.934 N/A THR 168.A OG1 SER 165.A OG no hydrogen 2.780 N/A GLY 169.A N SER 165.A O no hydrogen 2.833 N/A ARG 170.A N THR 168.A OG1 no hydrogen 3.218 N/A ARG 170.A NH1 PRO 11.A O no hydrogen 3.100 N/A ARG 170.A NH1 GLU 16.A OE1 no hydrogen 2.886 N/A ARG 170.A NH2 GLU 16.A OE1 no hydrogen 3.563 N/A ARG 170.A NH2 GLU 16.A OE2 no hydrogen 2.844 N/A LEU 173.A N PRO 160.A O no hydrogen 2.947 N/A TRP 177.A N GLY 174.A O no hydrogen 2.993 N/A TRP 177.A NE1 ASP 142.A OD1 no hydrogen 2.997 N/A GLN 179.A N GLN 179.A OE1 no hydrogen 2.717 N/A GLU 180.A N ASN 176.A O no hydrogen 3.347 N/A GLU 180.A N TRP 177.A O no hydrogen 3.215 N/A LEU 181.A N LYS 178.A O no hydrogen 3.196 N/A GLN 184.A N LEU 181.A O no hydrogen 3.321 N/A CYS 187.A N GLN 184.A O no hydrogen 3.346 N/A CYS 187.A SG PRO 11.A O no hydrogen 4.018 N/A CYS 187.A SG PRO 188.A O no hydrogen 3.444 N/A MET 190.A N LEU 10.A O no hydrogen 3.052 N/A CYS 191.A N LYS 116.A O no hydrogen 2.844 N/A ALA 192.A N VAL 8.A O no hydrogen 2.979 N/A TYR 193.A N TRP 114.A O no hydrogen 2.829 N/A TYR 193.A OH ASP 118.A OD1 no hydrogen 2.830 N/A TYR 193.A OH ASP 118.A OD2 no hydrogen 3.131 N/A LYS 194.A N TYR 6.A O no hydrogen 2.872 N/A LYS 194.A NZ THR 113.A OG1 no hydrogen 2.884 N/A LEU 195.A N GLU 112.A O no hydrogen 2.775 N/A VAL 196.A N LYS 4.A O no hydrogen 2.833 N/A THR 197.A N LYS 110.A O no hydrogen 2.836 N/A VAL 198.A N LEU 2.A O no hydrogen 3.013 N/A LYS 199.A N LEU 108.A O no hydrogen 2.855 N/A LYS 199.A NZ GLU 105.A O no hydrogen 2.591 N/A PHE 200.A N GLU 210.A OE2 no hydrogen 2.771 N/A LYS 201.A N ASP 106.A O no hydrogen 2.800 N/A GLN 206.A NE2 GLU 210.A OE2 no hydrogen 2.862 N/A VAL 209.A N LEU 205.A O no hydrogen 2.802 N/A GLU 210.A N GLN 206.A O no hydrogen 2.880 N/A ASN 211.A N ASN 207.A O no hydrogen 3.029 N/A PHE 212.A N LYS 208.A O no hydrogen 2.990 N/A ILE 213.A N VAL 209.A O no hydrogen 2.895 N/A HIS 214.A N GLU 210.A O no hydrogen 3.124 N/A HIS 214.A ND1 TYR 6.A OH no hydrogen 2.725 N/A HIS 214.A NE2 LEU 2.A O no hydrogen 2.852 N/A LYS 215.A N ASN 211.A O no hydrogen 2.985 N/A GLN 216.A N PHE 212.A O no hydrogen 3.042 N/A GLU 217.A N ILE 213.A O no hydrogen 2.901 N/A LYS 218.A N HIS 214.A O no hydrogen 2.927 N/A ARG 219.A N LYS 215.A O no hydrogen 3.001 N/A LEU 220.A N GLN 216.A O no hydrogen 2.947 N/A PHE 221.A N GLU 217.A O no hydrogen 2.783 N/A THR 222.A N LYS 218.A O no hydrogen 2.966 N/A THR 222.A OG1 LYS 218.A O no hydrogen 2.658 N/A ASN 223.A N ARG 219.A O no hydrogen 2.897 N/A ASN 223.A ND2 ASP 153.A OD2 no hydrogen 3.140 N/A PHE 224.A N LEU 220.A O no hydrogen 2.829 N/A HIS 225.A N PHE 221.A O no hydrogen 3.168 N/A ARG 226.A N THR 222.A O no hydrogen 3.094 N/A GLN 227.A N ASN 223.A O no hydrogen 3.027 N/A GLN 227.A NE2 GLU 158.A OE1 no hydrogen 3.243 N/A LEU 228.A N PHE 224.A O no hydrogen 2.841 N/A PHE 229.A N HIS 225.A O no hydrogen 3.181 N/A CYS 230.A N ARG 226.A O no hydrogen 3.168 N/A CYS 230.A SG ARG 226.A O no hydrogen 3.382 N/A TRP 231.A N GLN 227.A O no hydrogen 2.863 N/A LEU 232.A N PHE 229.A O no hydrogen 3.018 N/A LYS 234.A N TRP 231.A O no hydrogen 2.813 N/A TRP 235.A N LEU 232.A O no hydrogen 3.258 N/A TRP 235.A NE1 LEU 228.A O no hydrogen 2.929 N/A VAL 236.A N LEU 232.A O no hydrogen 2.879 N/A LEU 238.A N TRP 235.A O no hydrogen 2.900 N/A THR 239.A N ASP 242.A OD2 no hydrogen 2.835 N/A ASP 242.A N THR 239.A OG1 no hydrogen 3.137 N/A ILE 243.A N THR 239.A O no hydrogen 3.087 N/A ARG 244.A N MET 240.A O no hydrogen 2.830 N/A ARG 245.A N ASP 241.A O no hydrogen 2.960 N/A MET 246.A N ASP 242.A O no hydrogen 2.878 N/A GLU 247.A N ILE 243.A O no hydrogen 2.933 N/A GLU 248.A N ARG 244.A O no hydrogen 3.025 N/A GLU 249.A N ARG 245.A O no hydrogen 2.976 N/A THR 250.A N MET 246.A O no hydrogen 2.959 N/A THR 250.A OG1 GLU 247.A O no hydrogen 3.264 N/A LYS 251.A N GLU 247.A O no hydrogen 2.714 N/A ARG 252.A N GLU 248.A O no hydrogen 2.728 N/A GLN 253.A N GLU 249.A O no hydrogen 3.400 N/A