Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a6l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG GLU 7.A OE1 no hydrogen 2.433 N/A PHE 4.A N SER 2.A OG no hydrogen 3.151 N/A VAL 5.A N VAL 62.A O no hydrogen 2.833 N/A GLU 7.A N PHE 4.A O no hydrogen 2.814 N/A LEU 8.A N VAL 5.A O no hydrogen 2.968 N/A THR 9.A N GLU 12.A OE1 no hydrogen 2.884 N/A LYS 11.A NZ GLU 14.A OE1 no hydrogen 3.048 N/A GLU 12.A N THR 9.A OG1 no hydrogen 3.264 N/A TYR 13.A N THR 9.A O no hydrogen 3.123 N/A TYR 13.A OH HIS 107.A ND1 no hydrogen 3.022 N/A GLU 14.A N TRP 10.A O no hydrogen 2.822 N/A ALA 15.A N LYS 11.A O no hydrogen 3.052 N/A ARG 16.A N GLU 12.A O no hydrogen 2.987 N/A VAL 17.A N TYR 13.A O no hydrogen 3.054 N/A ALA 18.A N GLU 14.A O no hydrogen 2.889 N/A ALA 19.A N ARG 16.A O no hydrogen 3.330 N/A GLY 20.A N VAL 17.A O no hydrogen 2.911 N/A CYS 22.A SG VAL 23.A O no hydrogen 3.906 N/A LEU 24.A N ARG 111.A O no hydrogen 2.968 N/A MET 25.A N LEU 61.A O no hydrogen 2.859 N/A LEU 26.A N VAL 113.A O no hydrogen 2.863 N/A VAL 28.A N MET 115.A O no hydrogen 2.945 N/A GLY 29.A N LEU 66.A O no hydrogen 2.905 N/A GLU 32.A N MET 40.A O no hydrogen 2.896 N/A GLN 33.A N THR 85.A OG1 no hydrogen 2.998 N/A GLN 33.A NE2 GLY 77.A O no hydrogen 2.972 N/A GLN 33.A NE2 GLY 223.A O no hydrogen 2.850 N/A HIS 34.A ND1 GLU 32.A O no hydrogen 2.675 N/A GLY 35.A N GLN 33.A OE1 no hydrogen 2.851 N/A HIS 37.A NE2 THR 182.A OG1 no hydrogen 2.883 N/A CYS 39.A SG ASN 41.A OD1 no hydrogen 2.888 N/A VAL 44.A N ASN 41.A O no hydrogen 2.908 N/A LEU 45.A N ASN 41.A O no hydrogen 2.949 N/A LEU 46.A N VAL 42.A O no hydrogen 3.011 N/A THR 48.A N VAL 44.A O no hydrogen 3.098 N/A THR 48.A OG1 VAL 44.A O no hydrogen 2.544 N/A ALA 49.A N LEU 45.A O no hydrogen 2.969 N/A VAL 50.A N LEU 46.A O no hydrogen 2.980 N/A CYS 51.A N PRO 47.A O no hydrogen 2.910 N/A CYS 51.A SG PRO 47.A O no hydrogen 3.289 N/A LYS 52.A N THR 48.A O no hydrogen 2.876 N/A LYS 52.A NZ GLU 56.A OE2 no hydrogen 3.040 N/A ARG 53.A N ALA 49.A O no hydrogen 3.108 N/A ARG 53.A NH1 ALA 49.A O no hydrogen 3.201 N/A VAL 54.A N VAL 50.A O no hydrogen 2.828 N/A ALA 55.A N CYS 51.A O no hydrogen 2.670 N/A GLU 56.A N LYS 52.A O no hydrogen 2.949 N/A ARG 57.A N ARG 53.A O no hydrogen 3.002 N/A ARG 57.A NH1 GLU 241.A OE1 no hydrogen 3.171 N/A ARG 57.A NH1 GLU 241.A OE2 no hydrogen 3.510 N/A ARG 57.A NH2 GLU 241.A OE2 no hydrogen 3.031 N/A ILE 58.A N VAL 54.A O no hydrogen 2.913 N/A ALA 60.A N ALA 55.A O no hydrogen 2.871 N/A LEU 61.A N VAL 23.A O no hydrogen 3.084 N/A VAL 62.A N VAL 3.A O no hydrogen 2.644 N/A MET 63.A N MET 25.A O no hydrogen 2.636 N/A LEU 66.A N PRO 27.A O no hydrogen 2.940 N/A GLN 67.A NE2 GLY 65.A O no hydrogen 2.899 N/A TYR 70.A N ASN 121.A OD1 no hydrogen 2.795 N/A LYS 71.A NZ ASP 89.A OD1 no hydrogen 2.680 N/A SER 72.A N ASN 80.A OD1 no hydrogen 3.032 N/A SER 72.A OG GLU 32.A OE2 no hydrogen 3.011 N/A SER 72.A OG GLY 77.A O no hydrogen 3.202 N/A GLN 73.A N GLN 120.A OE1 no hydrogen 2.716 N/A GLN 73.A NE2 LYS 71.A O no hydrogen 3.460 N/A GLN 74.A NE2 ASP 215.A O no hydrogen 2.924 N/A SER 76.A N GLN 73.A O no hydrogen 3.148 N/A GLY 77.A N GLN 73.A O no hydrogen 2.589 N/A GLY 78.A N GLN 74.A O no hydrogen 3.026 N/A GLY 79.A N SER 72.A OG no hydrogen 3.280 N/A THR 86.A N LEU 31.A O no hydrogen 2.974 N/A THR 86.A OG1 GLY 84.A O no hydrogen 2.856 N/A SER 87.A OG ASN 80.A OD1 no hydrogen 2.532 N/A LEU 88.A N GLY 69.A O no hydrogen 2.910 N/A THR 92.A N ASP 89.A O no hydrogen 3.130 N/A LEU 93.A N ASP 89.A O no hydrogen 3.330 N/A THR 94.A N GLY 90.A O no hydrogen 2.993 N/A THR 94.A OG1 GLY 90.A O no hydrogen 2.831 N/A THR 94.A OG1 PHE 124.A O no hydrogen 3.172 N/A GLY 95.A N ALA 91.A O no hydrogen 2.863 N/A THR 96.A N THR 92.A O no hydrogen 3.085 N/A THR 96.A OG1 THR 92.A O no hydrogen 2.895 N/A VAL 97.A N LEU 93.A O no hydrogen 3.139 N/A GLN 98.A N THR 94.A O no hydrogen 2.941 N/A GLN 98.A NE2 GLU 135.A OE1 no hydrogen 2.811 N/A ASP 99.A N GLY 95.A O no hydrogen 2.918 N/A ILE 100.A N THR 96.A O no hydrogen 3.083 N/A ILE 101.A N VAL 97.A O no hydrogen 3.078 N/A ARG 102.A N GLN 98.A O no hydrogen 3.116 N/A ARG 102.A NE GLU 135.A OE2 no hydrogen 2.711 N/A ARG 102.A NH1 GLU 135.A OE1 no hydrogen 2.697 N/A ARG 102.A NH1 GLU 135.A OE2 no hydrogen 3.218 N/A ARG 102.A NH2 ASP 99.A OD1 no hydrogen 2.715 N/A GLU 103.A N ASP 99.A O no hydrogen 2.997 N/A LEU 104.A N ILE 100.A O no hydrogen 2.910 N/A ALA 105.A N ILE 101.A O no hydrogen 2.950 N/A ARG 106.A N ARG 102.A O no hydrogen 3.095 N/A ARG 106.A NE GLU 103.A OE1 no hydrogen 2.957 N/A ARG 106.A NH2 GLU 103.A OE2 no hydrogen 3.229 N/A HIS 107.A N GLU 103.A O no hydrogen 3.062 N/A HIS 107.A ND1 TYR 13.A OH no hydrogen 3.022 N/A GLY 108.A N ALA 105.A O no hydrogen 3.199 N/A ALA 109.A N LEU 104.A O no hydrogen 3.072 N/A ARG 110.A NE ASP 143.A OD1 no hydrogen 2.855 N/A ARG 110.A NH1 ALA 105.A O no hydrogen 2.959 N/A ARG 110.A NH1 ALA 109.A O no hydrogen 2.816 N/A ARG 111.A NH1 PRO 256.A O no hydrogen 2.740 N/A ARG 111.A NH2 ASP 21.A O no hydrogen 2.992 N/A ARG 111.A NH2 PRO 256.A O no hydrogen 3.243 N/A LEU 112.A N LYS 145.A O no hydrogen 3.075 N/A VAL 113.A N LEU 24.A O no hydrogen 2.805 N/A LEU 114.A N VAL 147.A O no hydrogen 2.762 N/A MET 115.A N LEU 26.A O no hydrogen 3.050 N/A ASN 116.A N LEU 149.A O no hydrogen 2.740 N/A ASN 116.A ND2 HIS 118.A O no hydrogen 2.749 N/A ASN 116.A ND2 SER 150.A OG no hydrogen 3.316 N/A GLY 117.A N VAL 28.A O no hydrogen 2.950 N/A HIS 118.A N ASN 116.A OD1 no hydrogen 2.932 N/A HIS 118.A ND1 ASP 43.A OD2 no hydrogen 3.172 N/A HIS 118.A NE2 TYR 70.A O no hydrogen 2.779 N/A ASN 121.A N HIS 118.A O no hydrogen 2.963 N/A ASN 121.A ND2 VAL 28.A O no hydrogen 3.541 N/A ASN 121.A ND2 GLY 29.A O no hydrogen 2.937 N/A ASN 121.A ND2 ASN 116.A OD1 no hydrogen 2.886 N/A ILE 125.A N ASN 121.A O no hydrogen 3.045 N/A VAL 126.A N SER 122.A O no hydrogen 2.828 N/A GLU 127.A N MET 123.A O no hydrogen 2.881 N/A GLY 128.A N PHE 124.A O no hydrogen 3.069 N/A ILE 129.A N ILE 125.A O no hydrogen 2.943 N/A ASP 130.A N VAL 126.A O no hydrogen 2.912 N/A LEU 131.A N GLU 127.A O no hydrogen 2.990 N/A ALA 132.A N GLY 128.A O no hydrogen 3.063 N/A LEU 133.A N ILE 129.A O no hydrogen 2.922 N/A ARG 134.A N ASP 130.A O no hydrogen 2.913 N/A GLU 135.A N LEU 131.A O no hydrogen 3.187 N/A LEU 136.A N ALA 132.A O no hydrogen 2.855 N/A ARG 137.A N LEU 133.A O no hydrogen 3.080 N/A TYR 138.A N ARG 134.A O no hydrogen 3.150 N/A ALA 139.A N GLU 135.A O no hydrogen 2.925 N/A GLY 140.A N ARG 137.A O no hydrogen 2.944 N/A ILE 141.A N LEU 136.A O no hydrogen 2.695 N/A LYS 145.A N ARG 110.A O no hydrogen 2.861 N/A LYS 145.A NZ GLU 254.A O no hydrogen 2.861 N/A LYS 145.A NZ GLU 254.A OE1 no hydrogen 2.668 N/A VAL 147.A N LEU 112.A O no hydrogen 2.859 N/A LEU 149.A N LEU 114.A O no hydrogen 2.915 N/A ASP 153.A N SER 150.A O no hydrogen 3.033 N/A PHE 154.A N TYR 151.A O no hydrogen 3.356 N/A VAL 155.A N TRP 152.A O no hydrogen 3.242 N/A ALA 159.A N ASP 157.A OD2 no hydrogen 2.896 N/A VAL 160.A N ASP 157.A O no hydrogen 2.786 N/A ILE 161.A N ASP 157.A O no hydrogen 2.846 N/A GLN 162.A N PRO 158.A O no hydrogen 2.945 N/A GLN 163.A N ALA 159.A O no hydrogen 3.346 N/A LEU 164.A N VAL 160.A O no hydrogen 3.048 N/A LEU 164.A N ILE 161.A O no hydrogen 3.207 N/A TYR 165.A N ILE 161.A O no hydrogen 2.737 N/A TYR 165.A OH GLU 175.A OE2 no hydrogen 2.520 N/A GLY 168.A N TYR 165.A O no hydrogen 3.181 N/A GLU 175.A N TRP 172.A O no hydrogen 3.303 N/A HIS 176.A NE2 GLN 33.A O no hydrogen 2.833 N/A GLY 177.A N GLU 181.A OE1 no hydrogen 3.232 N/A PHE 180.A N GLU 175.A OE1 no hydrogen 3.011 N/A THR 182.A N GLY 178.A O no hydrogen 3.033 N/A THR 182.A OG1 HIS 37.A NE2 no hydrogen 2.883 N/A THR 182.A OG1 GLY 177.A O no hydrogen 3.564 N/A THR 182.A OG1 GLY 178.A O no hydrogen 2.733 N/A SER 183.A N VAL 179.A O no hydrogen 2.898 N/A SER 183.A OG VAL 179.A O no hydrogen 2.632 N/A SER 183.A OG SER 232.A O no hydrogen 3.559 N/A LEU 184.A N PHE 180.A O no hydrogen 3.144 N/A MET 185.A N GLU 181.A O no hydrogen 2.928 N/A LEU 186.A N THR 182.A O no hydrogen 2.966 N/A ALA 187.A N SER 183.A O no hydrogen 3.273 N/A ALA 187.A N LEU 184.A O no hydrogen 3.261 N/A LEU 188.A N LEU 184.A O no hydrogen 2.900 N/A TYR 189.A N MET 185.A O no hydrogen 2.659 N/A LEU 192.A N TYR 189.A O no hydrogen 2.840 N/A VAL 193.A N PRO 190.A O no hydrogen 3.240 N/A ASP 194.A N HIS 37.A O no hydrogen 3.003 N/A ASP 196.A N ASP 194.A OD1 no hydrogen 3.181 N/A ARG 197.A N ASP 194.A O no hydrogen 2.978 N/A VAL 198.A N LEU 195.A O no hydrogen 3.148 N/A HIS 201.A N VAL 199.A O no hydrogen 3.120 N/A HIS 201.A ND1 PRO 202.A O no hydrogen 2.835 N/A HIS 201.A NE2 THR 224.A OG1 no hydrogen 2.786 N/A ALA 204.A N LEU 225.A O no hydrogen 2.769 N/A ALA 217.A N ASP 215.A OD1 no hydrogen 3.303 N/A ARG 218.A N ASP 215.A O no hydrogen 2.998 N/A ARG 218.A NE ASP 215.A OD2 no hydrogen 3.366 N/A THR 219.A N PRO 216.A O no hydrogen 3.029 N/A THR 219.A OG1 GLY 78.A O no hydrogen 3.359 N/A THR 219.A OG1 PRO 220.A O no hydrogen 3.518 N/A GLY 223.A N PRO 220.A O no hydrogen 2.840 N/A THR 224.A OG1 HIS 201.A NE2 no hydrogen 2.786 N/A LEU 225.A N HIS 176.A O no hydrogen 3.439 N/A SER 226.A OG ILE 174.A O no hydrogen 3.098 N/A SER 227.A OG ASP 200.A OD1 no hydrogen 2.539 N/A LYS 229.A N SER 227.A OG no hydrogen 2.990 N/A ALA 231.A N ALA 228.A O no hydrogen 3.139 N/A SER 232.A N SER 183.A OG no hydrogen 3.255 N/A SER 232.A OG GLU 234.A OE1 no hydrogen 3.308 N/A ARG 233.A NH2 GLU 237.A OE2 no hydrogen 2.973 N/A LYS 235.A N SER 232.A OG no hydrogen 3.011 N/A LYS 235.A NZ LEU 164.A O no hydrogen 2.948 N/A LYS 235.A NZ THR 230.A O no hydrogen 2.801 N/A LYS 235.A NZ THR 230.A OG1 no hydrogen 3.366 N/A GLY 236.A N SER 232.A O no hydrogen 2.987 N/A GLU 237.A N ARG 233.A O no hydrogen 2.904 N/A LEU 238.A N GLU 234.A O no hydrogen 3.120 N/A ILE 239.A N LYS 235.A O no hydrogen 2.896 N/A LEU 240.A N GLY 236.A O no hydrogen 2.887 N/A GLU 241.A N GLU 237.A O no hydrogen 3.195 N/A VAL 242.A N LEU 238.A O no hydrogen 3.145 N/A CYS 243.A N ILE 239.A O no hydrogen 2.904 N/A CYS 243.A SG TYR 151.A O no hydrogen 3.497 N/A CYS 243.A SG ILE 239.A O no hydrogen 3.420 N/A VAL 244.A N LEU 240.A O no hydrogen 2.872 N/A GLN 245.A N GLU 241.A O no hydrogen 2.930 N/A GLN 245.A NE2 ASP 249.A OD2 no hydrogen 2.781 N/A GLY 246.A N VAL 242.A O no hydrogen 2.902 N/A ILE 247.A N CYS 243.A O no hydrogen 2.878 N/A ALA 248.A N VAL 244.A O no hydrogen 2.903 N/A ASP 249.A N GLN 245.A O no hydrogen 2.971 N/A ALA 250.A N GLY 246.A O no hydrogen 3.035 N/A ILE 251.A N ILE 247.A O no hydrogen 2.956 N/A ARG 252.A N ALA 248.A O no hydrogen 3.015 N/A GLU 253.A N ASP 249.A O no hydrogen 2.969 N/A GLU 254.A N ALA 250.A O no hydrogen 2.802 N/A PHE 255.A N ILE 251.A O no hydrogen 2.590 N/A