Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qsr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE ASP 227.A OD1 no hydrogen 2.904 N/A ARG 2.A NE ASP 227.A OD2 no hydrogen 2.837 N/A ARG 2.A NH1 ASN 203.A O no hydrogen 2.829 N/A ARG 2.A NH2 ASP 227.A OD1 no hydrogen 3.088 N/A PHE 5.A N ASP 227.A O no hydrogen 2.773 N/A VAL 6.A N GLU 37.A O no hydrogen 2.875 N/A GLY 7.A N PHE 229.A O no hydrogen 2.799 N/A GLY 8.A N VAL 39.A O no hydrogen 2.786 N/A ASN 9.A N VAL 231.A O no hydrogen 2.749 N/A TRP 10.A N ALA 41.A O no hydrogen 3.012 N/A LYS 11.A N ASN 9.A OD1 no hydrogen 2.842 N/A LYS 11.A NZ GLU 96.A OE2 no hydrogen 2.668 N/A ASN 13.A ND2 TRP 10.A O no hydrogen 2.768 N/A THR 16.A OG1 GLU 19.A OE1 no hydrogen 2.791 N/A GLU 18.A N GLU 18.A OE1 no hydrogen 2.818 N/A GLU 19.A N THR 16.A OG1 no hydrogen 3.131 N/A ALA 20.A N THR 16.A O no hydrogen 3.062 N/A GLU 21.A N VAL 17.A O no hydrogen 2.923 N/A LYS 22.A N GLU 18.A O no hydrogen 3.126 N/A LEU 23.A N GLU 19.A O no hydrogen 2.992 N/A ILE 24.A N ALA 20.A O no hydrogen 2.958 N/A GLU 25.A N GLU 21.A O no hydrogen 3.043 N/A MET 26.A N LYS 22.A O no hydrogen 3.053 N/A LEU 27.A N LEU 23.A O no hydrogen 3.047 N/A ASN 28.A N ILE 24.A O no hydrogen 2.809 N/A ASN 28.A ND2 LYS 53.A O no hydrogen 2.847 N/A GLY 29.A N MET 26.A O no hydrogen 3.234 N/A ALA 30.A N LEU 27.A O no hydrogen 3.288 N/A GLU 33.A N ASN 245.A OD1 no hydrogen 2.722 N/A ASN 35.A N ASN 247.A OD1 no hydrogen 3.220 N/A GLU 37.A N PHE 4.A O no hydrogen 2.733 N/A VAL 39.A N VAL 6.A O no hydrogen 3.090 N/A VAL 40.A N LYS 59.A O no hydrogen 2.869 N/A ALA 41.A N GLY 8.A O no hydrogen 2.731 N/A ALA 42.A N SER 61.A O no hydrogen 3.324 N/A PHE 46.A N PRO 43.A O no hydrogen 2.867 N/A LEU 47.A N PHE 44.A O no hydrogen 3.032 N/A LEU 50.A N PHE 46.A O no hydrogen 3.039 N/A GLN 51.A N LEU 47.A O no hydrogen 2.809 N/A GLN 52.A N PRO 48.A O no hydrogen 3.075 N/A LYS 53.A N THR 49.A O no hydrogen 2.885 N/A LYS 53.A N LEU 50.A O no hydrogen 3.287 N/A LYS 53.A NZ GLU 21.A OE2 no hydrogen 3.398 N/A LYS 53.A NZ GLN 52.A OE1 no hydrogen 2.893 N/A LEU 54.A N LEU 50.A O no hydrogen 2.889 N/A ARG 55.A N ASN 28.A OD1 no hydrogen 2.766 N/A ARG 55.A NE ASP 57.A OD1 no hydrogen 2.882 N/A ARG 55.A NH1 LEU 27.A O no hydrogen 2.977 N/A ARG 55.A NH1 ALA 30.A O no hydrogen 2.745 N/A ARG 55.A NH2 ASP 57.A OD2 no hydrogen 2.971 N/A TRP 58.A N ARG 55.A O no hydrogen 3.205 N/A LYS 59.A N VAL 38.A O no hydrogen 3.038 N/A LYS 59.A NZ GLU 88.A OE2 no hydrogen 2.998 N/A SER 61.A N VAL 40.A O no hydrogen 2.875 N/A SER 61.A OG ALA 62.A O no hydrogen 2.813 N/A ALA 62.A N TRP 89.A O no hydrogen 2.899 N/A PHE 66.A N VAL 77.A O no hydrogen 2.925 N/A PHE 73.A N GLY 71.A O no hydrogen 2.788 N/A GLU 76.A N PHE 73.A O no hydrogen 3.035 N/A THR 78.A OG1 PRO 69.A O no hydrogen 2.752 N/A ILE 82.A N THR 78.A O no hydrogen 3.272 N/A LYS 83.A N VAL 79.A O no hydrogen 2.907 N/A LYS 83.A NZ ASN 118.A O no hydrogen 2.711 N/A SER 84.A N PRO 80.A O no hydrogen 2.910 N/A SER 84.A OG MET 81.A O no hydrogen 2.660 N/A PHE 85.A N ILE 82.A O no hydrogen 3.107 N/A GLY 86.A N LYS 83.A O no hydrogen 2.676 N/A ILE 87.A N ILE 82.A O no hydrogen 3.416 N/A THR 90.A N LYS 121.A O no hydrogen 3.097 N/A THR 90.A OG1 ILE 91.A O no hydrogen 2.973 N/A ILE 91.A N ALA 62.A O no hydrogen 2.958 N/A LEU 92.A N ILE 123.A O no hydrogen 2.911 N/A SER 95.A N GLU 166.A OE2 no hydrogen 2.838 N/A SER 95.A OG GLU 166.A OE1 no hydrogen 2.735 N/A GLU 96.A N HIS 94.A ND1 no hydrogen 3.132 N/A ARG 97.A N HIS 94.A O no hydrogen 2.806 N/A ARG 97.A NE GLU 103.A OE2 no hydrogen 2.719 N/A ARG 97.A NH2 GLU 103.A OE2 no hydrogen 3.278 N/A ARG 98.A N HIS 94.A O no hydrogen 2.966 N/A ARG 98.A NE GLY 93.A O no hydrogen 2.834 N/A ARG 98.A NH1 ASP 105.A OD1 no hydrogen 2.801 N/A ARG 98.A NH2 CYS 125.A O no hydrogen 2.984 N/A ASP 99.A N SER 95.A O no hydrogen 2.789 N/A ILE 100.A N GLU 96.A O no hydrogen 2.826 N/A LYS 102.A N ASP 99.A O no hydrogen 3.413 N/A GLU 103.A N ARG 97.A O no hydrogen 3.008 N/A PHE 107.A N ASP 104.A OD1 no hydrogen 2.921 N/A LEU 108.A N ASP 104.A O no hydrogen 3.001 N/A ALA 109.A N ASP 105.A O no hydrogen 2.746 N/A ALA 110.A N GLU 106.A O no hydrogen 3.107 N/A LYS 111.A N PHE 107.A O no hydrogen 3.079 N/A LYS 111.A NZ ASN 64.A OD1 no hydrogen 2.802 N/A LYS 111.A NZ VAL 65.A O no hydrogen 3.182 N/A LYS 111.A NZ GLU 103.A OE1 no hydrogen 3.219 N/A LYS 111.A NZ GLU 103.A OE2 no hydrogen 2.921 N/A ALA 112.A N LEU 108.A O no hydrogen 2.982 N/A LYS 113.A N ALA 109.A O no hydrogen 2.946 N/A LYS 113.A NZ GLU 117.A OE1 no hydrogen 3.222 N/A LYS 113.A NZ GLU 117.A OE2 no hydrogen 2.754 N/A PHE 114.A N ALA 110.A O no hydrogen 2.977 N/A ALA 115.A N LYS 111.A O no hydrogen 2.833 N/A LEU 116.A N ALA 112.A O no hydrogen 3.041 N/A GLU 117.A N LYS 113.A O no hydrogen 2.943 N/A ASN 118.A N ALA 115.A O no hydrogen 3.077 N/A ASN 118.A ND2 PHE 114.A O no hydrogen 2.751 N/A GLY 119.A N LEU 116.A O no hydrogen 3.234 N/A MET 120.A N ALA 115.A O no hydrogen 3.055 N/A LYS 121.A N GLU 88.A O no hydrogen 2.830 N/A ILE 122.A N ASP 160.A O no hydrogen 2.985 N/A ILE 123.A N THR 90.A O no hydrogen 2.946 N/A TYR 124.A N VAL 162.A O no hydrogen 2.731 N/A CYS 125.A N LEU 92.A O no hydrogen 2.915 N/A CYS 125.A SG LEU 92.A O no hydrogen 3.675 N/A CYS 126.A N ALA 164.A O no hydrogen 3.037 N/A CYS 126.A SG ALA 164.A O no hydrogen 3.783 N/A GLY 127.A N GLN 145.A OE1 no hydrogen 2.838 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.773 N/A HIS 129.A N GLU 132.A OE1 no hydrogen 2.997 N/A SER 131.A OG GLU 132.A OE2 no hydrogen 2.705 N/A ARG 133.A N HIS 129.A O no hydrogen 3.090 N/A ARG 133.A NE GLU 128.A OE2 no hydrogen 2.819 N/A ARG 133.A NH2 GLU 128.A OE2 no hydrogen 2.776 N/A GLU 134.A N LEU 130.A O no hydrogen 2.825 N/A ALA 135.A N SER 131.A O no hydrogen 2.921 N/A GLY 136.A N ARG 133.A O no hydrogen 3.019 N/A LYS 137.A N GLU 132.A O no hydrogen 2.789 N/A SER 139.A OG GLU 140.A OE1 no hydrogen 3.268 N/A GLU 140.A N GLU 140.A OE1 no hydrogen 2.846 N/A PHE 141.A N LYS 137.A O no hydrogen 3.123 N/A VAL 142.A N ALA 138.A O no hydrogen 2.929 N/A SER 143.A N SER 139.A O no hydrogen 2.888 N/A SER 143.A OG GLU 147.A OE2 no hydrogen 3.316 N/A ALA 144.A N GLU 140.A O no hydrogen 3.170 N/A GLN 145.A N PHE 141.A O no hydrogen 3.285 N/A ILE 146.A N VAL 142.A O no hydrogen 2.986 N/A GLU 147.A N SER 143.A O no hydrogen 2.826 N/A LYS 148.A N ALA 144.A O no hydrogen 3.024 N/A MET 149.A N GLN 145.A O no hydrogen 3.126 N/A MET 149.A N ILE 146.A O no hydrogen 2.911 N/A ILE 150.A N ILE 146.A O no hydrogen 2.816 N/A ALA 152.A N MET 149.A O no hydrogen 2.807 N/A ILE 153.A N ILE 150.A O no hydrogen 3.071 N/A LYS 157.A N PRO 154.A O no hydrogen 2.994 N/A LYS 157.A NZ LEU 116.A O no hydrogen 3.368 N/A ASP 160.A N LYS 157.A O no hydrogen 2.967 N/A VAL 161.A N TRP 158.A O no hydrogen 3.281 N/A VAL 162.A N ILE 122.A O no hydrogen 2.942 N/A ILE 163.A N ARG 206.A O no hydrogen 3.061 N/A ALA 164.A N TYR 124.A O no hydrogen 2.867 N/A TYR 165.A N LEU 208.A O no hydrogen 2.862 N/A TYR 165.A OH GLU 128.A OE1 no hydrogen 2.597 N/A TYR 165.A OH GLU 128.A OE2 no hydrogen 3.202 N/A GLU 166.A N CYS 126.A O no hydrogen 2.751 N/A ILE 168.A N GLU 166.A O no hydrogen 2.811 N/A TRP 169.A N GLU 128.A O no hydrogen 3.148 N/A TRP 169.A NE1 TYR 165.A OH no hydrogen 2.950 N/A ALA 170.A N PRO 167.A O no hydrogen 2.754 N/A ILE 171.A N ILE 168.A O no hydrogen 2.861 N/A THR 173.A OG1 TRP 169.A O no hydrogen 2.489 N/A LYS 175.A N THR 173.A OG1 no hydrogen 3.262 N/A SER 178.A N ASP 181.A OD2 no hydrogen 2.896 N/A ASP 181.A N SER 178.A OG no hydrogen 3.000 N/A ALA 182.A N SER 178.A O no hydrogen 3.258 N/A GLN 183.A N THR 179.A O no hydrogen 3.171 N/A GLN 183.A NE2 ASP 225.A OD2 no hydrogen 2.810 N/A GLU 184.A N GLN 180.A O no hydrogen 2.913 N/A MET 185.A N ASP 181.A O no hydrogen 3.079 N/A CYS 186.A N ALA 182.A O no hydrogen 3.010 N/A CYS 186.A SG ALA 182.A O no hydrogen 3.468 N/A CYS 186.A SG LEU 208.A O no hydrogen 3.949 N/A LYS 187.A N GLN 183.A O no hydrogen 2.996 N/A LYS 187.A NZ ASP 191.A OD1 no hydrogen 2.818 N/A VAL 188.A N GLU 184.A O no hydrogen 2.927 N/A ILE 189.A N MET 185.A O no hydrogen 2.972 N/A ARG 190.A N CYS 186.A O no hydrogen 3.011 N/A ARG 190.A NE ASP 225.A OD1 no hydrogen 2.923 N/A ARG 190.A NH1 ALA 202.A O no hydrogen 2.947 N/A ARG 190.A NH1 VAL 205.A O no hydrogen 2.994 N/A ARG 190.A NH2 ASP 225.A O no hydrogen 2.989 N/A ARG 190.A NH2 ASP 227.A OD2 no hydrogen 2.643 N/A ASP 191.A N LYS 187.A O no hydrogen 2.892 N/A ILE 192.A N VAL 188.A O no hydrogen 3.054 N/A LEU 193.A N ILE 189.A O no hydrogen 2.991 N/A ALA 194.A N ARG 190.A O no hydrogen 2.913 N/A ALA 195.A N ASP 191.A O no hydrogen 2.880 N/A LYS 196.A N ILE 192.A O no hydrogen 2.963 N/A VAL 197.A N LEU 193.A O no hydrogen 2.702 N/A GLY 198.A N LEU 193.A O no hydrogen 3.207 N/A GLY 198.A N ALA 194.A O no hydrogen 3.101 N/A ALA 202.A N GLY 198.A O no hydrogen 3.041 N/A ASN 203.A N ALA 199.A O no hydrogen 2.793 N/A LYS 204.A N ILE 201.A O no hydrogen 3.074 N/A VAL 205.A N ILE 201.A O no hydrogen 3.066 N/A ARG 206.A NH1 THR 3.A O no hydrogen 2.976 N/A ARG 206.A NH1 GLU 37.A OE1 no hydrogen 2.801 N/A ARG 206.A NH2 GLU 37.A OE1 no hydrogen 2.921 N/A ILE 207.A N ASP 227.A OD2 no hydrogen 2.891 N/A LEU 208.A N ILE 163.A O no hydrogen 2.749 N/A TYR 209.A N GLY 228.A O no hydrogen 2.897 N/A GLY 210.A N TYR 165.A O no hydrogen 2.714 N/A LYS 214.A N ASN 217.A OD1 no hydrogen 2.828 N/A ASN 217.A N LYS 214.A O no hydrogen 3.122 N/A ASN 217.A ND2 SER 212.A O no hydrogen 3.011 N/A CYS 218.A N LYS 214.A O no hydrogen 3.043 N/A CYS 218.A SG LYS 214.A O no hydrogen 3.595 N/A CYS 218.A SG PRO 215.A O no hydrogen 3.673 N/A CYS 218.A SG ASN 219.A OD1 no hydrogen 3.665 N/A CYS 218.A SG ASN 242.A O no hydrogen 3.782 N/A GLU 220.A N GLU 220.A OE1 no hydrogen 2.621 N/A LEU 221.A N ASN 217.A O no hydrogen 3.073 N/A ALA 222.A N CYS 218.A O no hydrogen 2.861 N/A ALA 223.A N ASN 219.A O no hydrogen 3.289 N/A ASP 225.A N GLN 183.A OE1 no hydrogen 2.898 N/A ASP 227.A N ILE 207.A O no hydrogen 2.753 N/A PHE 229.A N PHE 5.A O no hydrogen 3.010 N/A LEU 230.A N TYR 209.A O no hydrogen 3.145 N/A VAL 231.A N GLY 7.A O no hydrogen 2.682 N/A SER 235.A N GLY 232.A O no hydrogen 2.995 N/A SER 235.A OG GLY 232.A O no hydrogen 2.791 N/A LEU 236.A N GLY 233.A O no hydrogen 3.061 N/A GLU 237.A N ALA 234.A O no hydrogen 3.019 N/A PHE 240.A N GLU 237.A O no hydrogen 3.092 N/A ILE 241.A N PRO 238.A O no hydrogen 3.333 N/A ILE 243.A N GLY 239.A O no hydrogen 3.221 N/A VAL 244.A N PHE 240.A O no hydrogen 2.917 N/A ASN 245.A N ILE 241.A O no hydrogen 2.859 N/A ASN 245.A ND2 LYS 31.A O no hydrogen 3.170 N/A SER 246.A N ILE 243.A O no hydrogen 3.110 N/A SER 246.A OG ILE 243.A O no hydrogen 2.704 N/A ASN 247.A ND2 GLU 33.A O no hydrogen 2.753 N/A ASN 247.A ND2 VAL 244.A O no hydrogen 2.824 N/A VAL 248.A N ASN 245.A O no hydrogen 3.450 N/A HIS 249.A N SER 246.A O no hydrogen 2.852 N/A SER 250.A N ASN 247.A O no hydrogen 3.027 N/A SER 250.A OG ALA 222.A O no hydrogen 3.544 N/A