Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2w96_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A N LEU 1.A O no hydrogen 3.256 N/A ARG 13.A N ASP 9.A O no hydrogen 3.219 N/A ALA 14.A N VAL 11.A O no hydrogen 2.703 N/A MET 15.A N VAL 11.A O no hydrogen 3.027 N/A LEU 16.A N LEU 12.A O no hydrogen 2.979 N/A LYS 17.A N ARG 13.A O no hydrogen 3.314 N/A LYS 17.A N ALA 14.A O no hydrogen 3.024 N/A ALA 18.A N ALA 14.A O no hydrogen 2.986 N/A GLU 19.A N MET 15.A O no hydrogen 3.075 N/A THR 21.A N ALA 18.A O no hydrogen 2.911 N/A THR 21.A OG1 ALA 18.A O no hydrogen 2.795 N/A CYS 22.A N GLU 19.A O no hydrogen 3.040 N/A CYS 22.A SG ASN 135.A O no hydrogen 4.021 N/A SER 25.A N SER 74.A OG no hydrogen 2.737 N/A TYR 28.A OH ASP 70.A OD1 no hydrogen 2.823 N/A CYS 31.A N SER 27.A O no hydrogen 2.932 N/A CYS 31.A SG SER 27.A O no hydrogen 3.438 N/A CYS 31.A SG SER 27.A OG no hydrogen 3.502 N/A VAL 32.A N TYR 28.A O no hydrogen 2.928 N/A GLN 33.A N TYR 28.A O no hydrogen 2.833 N/A GLN 33.A NE2 LEU 73.A O no hydrogen 2.663 N/A GLN 33.A NE2 GLU 76.A O no hydrogen 2.591 N/A MET 40.A N LEU 37.A O no hydrogen 2.784 N/A ARG 41.A N LEU 37.A O no hydrogen 3.070 N/A ARG 41.A NE ASP 70.A OD1 no hydrogen 2.818 N/A ARG 41.A NH1 ALA 174.A O no hydrogen 3.141 N/A ARG 41.A NH2 ASP 70.A OD1 no hydrogen 3.457 N/A ARG 41.A NH2 ASP 70.A OD2 no hydrogen 2.802 N/A ARG 41.A NH2 ALA 174.A O no hydrogen 3.106 N/A LYS 42.A N PRO 38.A O no hydrogen 2.814 N/A LYS 42.A NZ GLN 245.A OE1 no hydrogen 3.426 N/A ILE 43.A N SER 39.A O no hydrogen 3.164 N/A VAL 44.A N MET 40.A O no hydrogen 2.895 N/A ALA 45.A N ARG 41.A O no hydrogen 2.801 N/A THR 46.A N LYS 42.A O no hydrogen 2.930 N/A THR 46.A OG1 GLU 50.A OE2 no hydrogen 3.556 N/A TRP 47.A N ILE 43.A O no hydrogen 2.920 N/A TRP 47.A NE1 TYR 111.A O no hydrogen 3.126 N/A MET 48.A N VAL 44.A O no hydrogen 2.827 N/A LEU 49.A N ALA 45.A O no hydrogen 2.958 N/A GLU 50.A N THR 46.A O no hydrogen 3.148 N/A VAL 51.A N TRP 47.A O no hydrogen 3.126 N/A CYS 52.A N MET 48.A O no hydrogen 3.107 N/A CYS 52.A SG MET 48.A O no hydrogen 3.141 N/A GLU 53.A N LEU 49.A O no hydrogen 2.828 N/A GLU 54.A N GLU 50.A O no hydrogen 2.654 N/A GLN 55.A N VAL 51.A O no hydrogen 2.774 N/A GLN 55.A NE2 TYR 111.A OH no hydrogen 2.246 N/A LYS 56.A N GLU 53.A O no hydrogen 3.226 N/A CYS 57.A N CYS 52.A O no hydrogen 2.824 N/A CYS 57.A SG CYS 52.A O no hydrogen 3.947 N/A CYS 57.A SG GLU 99.A OE1 no hydrogen 3.556 N/A GLU 58.A N GLU 99.A OE2 no hydrogen 2.763 N/A GLU 59.A N GLU 59.A OE1 no hydrogen 2.603 N/A GLU 60.A N GLU 60.A OE1 no hydrogen 2.821 N/A VAL 61.A N GLU 58.A O no hydrogen 2.971 N/A LEU 64.A N GLU 60.A O no hydrogen 2.983 N/A ALA 65.A N VAL 61.A O no hydrogen 2.869 N/A MET 66.A N PHE 62.A O no hydrogen 3.010 N/A ASN 67.A N PRO 63.A O no hydrogen 3.111 N/A ASN 67.A ND2 CYS 22.A O no hydrogen 3.095 N/A TYR 68.A N LEU 64.A O no hydrogen 3.075 N/A TYR 68.A OH LEU 136.A O no hydrogen 2.586 N/A LEU 69.A N ALA 65.A O no hydrogen 2.931 N/A ASP 70.A N MET 66.A O no hydrogen 2.771 N/A ARG 71.A N ASN 67.A O no hydrogen 2.856 N/A ARG 71.A NH1 ASN 67.A OD1 no hydrogen 2.772 N/A ARG 71.A NH1 ASN 135.A O no hydrogen 3.242 N/A ARG 71.A NH2 ASN 135.A O no hydrogen 2.766 N/A PHE 72.A N TYR 68.A O no hydrogen 2.878 N/A LEU 73.A N LEU 69.A O no hydrogen 3.005 N/A SER 74.A N ARG 71.A O no hydrogen 3.145 N/A SER 74.A OG ASP 70.A O no hydrogen 2.891 N/A LEU 75.A N PHE 72.A O no hydrogen 2.837 N/A GLU 76.A N PHE 72.A O no hydrogen 2.950 N/A VAL 78.A N GLN 33.A OE1 no hydrogen 2.854 N/A LYS 80.A N GLU 35.A OE1 no hydrogen 3.290 N/A LYS 80.A NZ GLU 35.A OE1 no hydrogen 3.357 N/A ARG 82.A N LYS 79.A O no hydrogen 2.789 N/A ARG 82.A NH2 GLU 120.A OE2 no hydrogen 3.124 N/A LEU 86.A N ARG 82.A O no hydrogen 2.889 N/A GLY 87.A N LEU 83.A O no hydrogen 2.858 N/A ALA 88.A N GLN 84.A O no hydrogen 2.995 N/A THR 89.A N LEU 85.A O no hydrogen 3.152 N/A THR 89.A OG1 LEU 85.A O no hydrogen 2.709 N/A CYS 90.A N LEU 86.A O no hydrogen 2.893 N/A CYS 90.A SG LEU 86.A O no hydrogen 3.124 N/A MET 91.A N GLY 87.A O no hydrogen 3.136 N/A PHE 92.A N ALA 88.A O no hydrogen 3.029 N/A VAL 93.A N THR 89.A O no hydrogen 3.021 N/A ALA 94.A N CYS 90.A O no hydrogen 2.899 N/A SER 95.A N MET 91.A O no hydrogen 2.748 N/A SER 95.A OG GLU 99.A OE1 no hydrogen 2.442 N/A LYS 96.A N PHE 92.A O no hydrogen 3.079 N/A LYS 96.A NZ GLU 125.A OE2 no hydrogen 3.036 N/A MET 97.A N VAL 93.A O no hydrogen 3.097 N/A LYS 98.A N ALA 94.A O no hydrogen 3.126 N/A LYS 98.A N SER 95.A O no hydrogen 3.256 N/A GLU 99.A N SER 95.A O no hydrogen 2.866 N/A LEU 103.A N SER 95.A OG no hydrogen 2.856 N/A LYS 107.A N THR 104.A OG1 no hydrogen 3.084 N/A LEU 108.A N THR 104.A O no hydrogen 3.167 N/A CYS 109.A N ALA 105.A O no hydrogen 3.214 N/A CYS 109.A SG ALA 105.A O no hydrogen 3.019 N/A ILE 110.A N GLU 106.A O no hydrogen 2.978 N/A TYR 111.A N LYS 107.A O no hydrogen 3.267 N/A THR 112.A N CYS 109.A O no hydrogen 2.882 N/A THR 112.A OG1 CYS 109.A O no hydrogen 2.596 N/A ASP 113.A N ILE 110.A O no hydrogen 2.931 N/A ASN 114.A N CYS 109.A O no hydrogen 2.728 N/A SER 115.A N THR 112.A O no hydrogen 3.004 N/A ILE 116.A N THR 112.A OG1 no hydrogen 3.165 N/A ARG 117.A N GLU 120.A OE1 no hydrogen 2.849 N/A LEU 121.A N ARG 117.A O no hydrogen 3.055 N/A LEU 122.A N PRO 118.A O no hydrogen 2.731 N/A GLN 123.A N GLU 119.A O no hydrogen 3.037 N/A MET 124.A N GLU 120.A O no hydrogen 2.982 N/A GLU 125.A N LEU 121.A O no hydrogen 2.880 N/A LEU 127.A N GLN 123.A O no hydrogen 3.385 N/A LEU 128.A N MET 124.A O no hydrogen 2.775 N/A VAL 129.A N GLU 125.A O no hydrogen 2.978 N/A ASN 130.A N LEU 126.A O no hydrogen 2.986 N/A LYS 131.A N LEU 127.A O no hydrogen 3.031 N/A LEU 132.A N LEU 128.A O no hydrogen 2.958 N/A LYS 133.A N ASN 130.A O no hydrogen 3.000 N/A TRP 134.A N VAL 129.A O no hydrogen 2.722 N/A TRP 134.A NE1 ASN 130.A OD1 no hydrogen 3.062 N/A ASN 135.A N LEU 132.A O no hydrogen 3.131 N/A ASN 135.A ND2 THR 21.A OG1 no hydrogen 3.184 N/A THR 140.A N ASP 143.A OD2 no hydrogen 2.805 N/A ASP 143.A N THR 140.A O no hydrogen 3.102 N/A ILE 145.A N PRO 141.A O no hydrogen 2.897 N/A GLU 146.A N HIS 142.A O no hydrogen 3.283 N/A HIS 147.A N ASP 143.A O no hydrogen 3.261 N/A PHE 148.A N PHE 144.A O no hydrogen 2.691 N/A LEU 149.A N ILE 145.A O no hydrogen 2.773 N/A SER 150.A N GLU 146.A O no hydrogen 3.160 N/A SER 150.A N HIS 147.A O no hydrogen 3.019 N/A SER 150.A OG HIS 147.A O no hydrogen 2.655 N/A LYS 151.A N PHE 148.A O no hydrogen 2.737 N/A MET 152.A N LEU 149.A O no hydrogen 3.157 N/A GLU 154.A N MET 152.A O no hydrogen 2.523 N/A ASN 158.A ND2 GLU 154.A OE1 no hydrogen 2.938 N/A ASN 158.A ND2 ASN 206.A OD1 no hydrogen 2.788 N/A LYS 159.A N ALA 155.A O no hydrogen 2.858 N/A GLN 160.A N GLU 156.A O no hydrogen 2.974 N/A ILE 161.A N GLU 157.A O no hydrogen 3.390 N/A ILE 162.A N ASN 158.A O no hydrogen 2.878 N/A ARG 163.A N LYS 159.A O no hydrogen 2.733 N/A ARG 163.A NE GLN 160.A OE1 no hydrogen 2.602 N/A ARG 163.A NH1 GLU 146.A OE2 no hydrogen 3.234 N/A ARG 163.A NH2 GLU 156.A OE2 no hydrogen 3.427 N/A ARG 163.A NH2 GLN 160.A OE1 no hydrogen 3.158 N/A LYS 164.A N GLN 160.A O no hydrogen 3.037 N/A HIS 165.A N ILE 161.A O no hydrogen 3.104 N/A HIS 165.A ND1 ILE 161.A O no hydrogen 2.825 N/A ALA 166.A N ILE 162.A O no hydrogen 2.840 N/A GLN 167.A N ARG 163.A O no hydrogen 2.975 N/A THR 168.A N LYS 164.A O no hydrogen 3.322 N/A THR 168.A OG1 LYS 164.A O no hydrogen 3.313 N/A PHE 169.A N HIS 165.A O no hydrogen 3.169 N/A VAL 170.A N ALA 166.A O no hydrogen 3.073 N/A ALA 171.A N GLN 167.A O no hydrogen 3.173 N/A LEU 172.A N THR 168.A O no hydrogen 3.108 N/A CYS 173.A N PHE 169.A O no hydrogen 2.967 N/A CYS 173.A SG PHE 169.A O no hydrogen 3.579 N/A ALA 174.A N VAL 170.A O no hydrogen 2.911 N/A THR 175.A N ALA 171.A O no hydrogen 3.316 N/A THR 175.A OG1 LEU 172.A O no hydrogen 2.870 N/A ASP 176.A N CYS 173.A O no hydrogen 2.890 N/A LYS 178.A N ASP 176.A OD2 no hydrogen 3.175 N/A LYS 178.A NZ ASN 182.A OD1 no hydrogen 2.917 N/A PHE 179.A N ASP 176.A O no hydrogen 3.153 N/A ILE 180.A N VAL 177.A O no hydrogen 2.765 N/A ASN 182.A N LYS 178.A O no hydrogen 3.014 N/A SER 185.A N GLU 19.A OE2 no hydrogen 3.058 N/A SER 185.A OG GLU 19.A OE1 no hydrogen 2.634 N/A SER 185.A OG GLU 19.A OE2 no hydrogen 3.435 N/A VAL 187.A N PRO 183.A O no hydrogen 3.014 N/A ALA 188.A N PRO 184.A O no hydrogen 2.806 N/A ALA 189.A N SER 185.A O no hydrogen 2.918 N/A GLY 190.A N MET 186.A O no hydrogen 2.916 N/A SER 191.A N VAL 187.A O no hydrogen 3.173 N/A SER 191.A OG VAL 187.A O no hydrogen 2.892 N/A VAL 192.A N ALA 188.A O no hydrogen 2.919 N/A VAL 193.A N ALA 189.A O no hydrogen 2.759 N/A ALA 194.A N GLY 190.A O no hydrogen 2.714 N/A ALA 195.A N SER 191.A O no hydrogen 2.905 N/A VAL 196.A N VAL 192.A O no hydrogen 2.708 N/A GLN 197.A N VAL 193.A O no hydrogen 3.001 N/A GLY 198.A N ALA 194.A O no hydrogen 3.179 N/A LEU 199.A N ALA 195.A O no hydrogen 3.006 N/A ASN 200.A N VAL 196.A O no hydrogen 2.821 N/A ASN 200.A ND2 PRO 204.A O no hydrogen 3.212 N/A ASN 200.A ND2 ASN 206.A O no hydrogen 2.916 N/A LEU 201.A N GLN 197.A O no hydrogen 2.851 N/A ARG 202.A N LEU 199.A O no hydrogen 2.902 N/A SER 203.A N ASN 200.A O no hydrogen 2.756 N/A ASN 206.A N SER 203.A O no hydrogen 2.947 N/A PHE 207.A N ASN 206.A OD1 no hydrogen 3.231 N/A SER 209.A N GLU 154.A OE2 no hydrogen 3.291 N/A SER 209.A OG GLU 154.A OE2 no hydrogen 2.887 N/A TYR 210.A N PHE 207.A O no hydrogen 3.312 N/A TYR 211.A N LEU 208.A O no hydrogen 3.338 N/A LEU 213.A N TYR 210.A O no hydrogen 3.161 N/A PHE 216.A N ARG 212.A O no hydrogen 3.106 N/A LEU 217.A N LEU 213.A O no hydrogen 2.759 N/A SER 218.A N THR 214.A O no hydrogen 2.780 N/A SER 218.A OG THR 214.A O no hydrogen 2.803 N/A ARG 219.A N ARG 215.A O no hydrogen 2.815 N/A VAL 220.A N PHE 216.A O no hydrogen 2.903 N/A ILE 221.A N LEU 217.A O no hydrogen 2.429 N/A LYS 222.A N SER 218.A O no hydrogen 2.567 N/A LYS 222.A NZ VAL 220.A O no hydrogen 3.400 N/A CYS 223.A N SER 218.A O no hydrogen 3.079 N/A CYS 223.A SG SER 218.A OG no hydrogen 3.589 N/A CYS 223.A SG ASP 224.A O no hydrogen 3.379 N/A ASP 226.A N ASP 224.A OD1 no hydrogen 3.180 N/A LEU 228.A N ASP 224.A O no hydrogen 3.049 N/A ARG 229.A N PRO 225.A O no hydrogen 3.133 N/A ALA 230.A N ASP 226.A O no hydrogen 2.957 N/A CYS 231.A N CYS 227.A O no hydrogen 2.886 N/A CYS 231.A SG MET 186.A O no hydrogen 3.602 N/A GLN 232.A N LEU 228.A O no hydrogen 2.792 N/A GLU 233.A N ARG 229.A O no hydrogen 3.066 N/A GLN 234.A N ALA 230.A O no hydrogen 2.766 N/A ILE 235.A N CYS 231.A O no hydrogen 2.906 N/A GLU 236.A N GLN 232.A O no hydrogen 2.824 N/A ALA 237.A N GLU 233.A O no hydrogen 2.874 N/A LEU 238.A N GLN 234.A O no hydrogen 2.985 N/A LEU 239.A N ILE 235.A O no hydrogen 3.026 N/A GLU 240.A N GLU 236.A O no hydrogen 3.152 N/A SER 241.A OG ALA 237.A O no hydrogen 3.300 N/A SER 242.A N LEU 239.A O no hydrogen 2.804 N/A SER 242.A OG LEU 238.A O no hydrogen 3.170 N/A ARG 244.A N SER 241.A O no hydrogen 3.448 N/A GLN 245.A N SER 241.A O no hydrogen 3.435 N/A