Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r0s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ ASP 17.A OD1 no hydrogen 3.418 N/A HIS 3.A N ILE 20.A O no hydrogen 2.937 N/A ALA 6.A N HIS 3.A O no hydrogen 3.022 N/A VAL 7.A N ALA 24.A O no hydrogen 3.028 N/A GLU 9.A N VAL 26.A O no hydrogen 2.993 N/A ALA 12.A N GLU 9.A O no hydrogen 3.034 N/A GLN 13.A N ALA 30.A O no hydrogen 2.944 N/A GLY 15.A N ILE 32.A O no hydrogen 2.758 N/A ASP 16.A N ASN 34.A OD1 no hydrogen 2.864 N/A VAL 19.A N VAL 36.A O no hydrogen 3.010 N/A ILE 20.A N LYS 1.A O no hydrogen 3.095 N/A GLU 21.A N ILE 38.A O no hydrogen 2.845 N/A TYR 23.A N SER 5.A OG no hydrogen 2.694 N/A ALA 24.A N GLU 21.A O no hydrogen 3.346 N/A TYR 25.A N ALA 42.A O no hydrogen 2.822 N/A TYR 25.A OH GLU 9.A OE2.A no hydrogen 2.455 N/A VAL 26.A N VAL 7.A O no hydrogen 2.871 N/A SER 27.A N ILE 44.A O no hydrogen 3.001 N/A SER 27.A OG SER 46.A O no hydrogen 2.685 N/A LYS 28.A N GLU 9.A OE1.A no hydrogen 3.022 N/A LYS 28.A NZ ASP 29.A OD2 no hydrogen 3.367 N/A ALA 30.A N SER 27.A O no hydrogen 3.005 N/A LYS 31.A N THR 48.A O no hydrogen 3.005 N/A LYS 31.A NZ ASP 29.A O no hydrogen 3.259 N/A LYS 31.A NZ ASP 47.A OD1 no hydrogen 2.512 N/A ILE 32.A N GLN 13.A O no hydrogen 2.680 N/A GLY 33.A N ILE 50.A O no hydrogen 2.720 N/A ASN 34.A N ASP 52.A OD1 no hydrogen 2.708 N/A ASN 34.A ND2 ASP 52.A OD2 no hydrogen 3.047 N/A ASN 35.A N ASP 16.A O no hydrogen 2.825 N/A VAL 37.A N SER 54.A O no hydrogen 2.949 N/A ILE 38.A N VAL 19.A O no hydrogen 2.822 N/A LYS 39.A N VAL 56.A O no hydrogen 2.866 N/A GLN 40.A N GLU 21.A OE1 no hydrogen 3.039 N/A ALA 42.A N LYS 39.A O no hydrogen 3.109 N/A ARG 43.A N ALA 60.A O no hydrogen 2.952 N/A ILE 44.A N TYR 25.A O no hydrogen 2.849 N/A LEU 45.A N VAL 62.A O no hydrogen 2.731 N/A SER 46.A OG GLY 63.A O no hydrogen 3.078 N/A ASP 47.A N SER 73.A O no hydrogen 3.104 N/A THR 48.A OG1 LEU 45.A O no hydrogen 2.519 N/A THR 48.A OG1 VAL 75.A O no hydrogen 3.555 N/A THR 49.A N VAL 75.A O no hydrogen 2.878 N/A ILE 50.A N LYS 31.A O no hydrogen 2.940 N/A GLY 51.A N ILE 77.A O no hydrogen 3.041 N/A HIS 53.A N ASN 34.A O no hydrogen 2.882 N/A SER 54.A OG GLY 51.A O no hydrogen 2.783 N/A ARG 55.A N ALA 81.A O no hydrogen 2.841 N/A ARG 55.A NH2 THR 82.A OG1 no hydrogen 3.220 N/A VAL 56.A N VAL 37.A O no hydrogen 2.915 N/A PHE 57.A N ILE 83.A O no hydrogen 2.756 N/A TYR 59.A N GLN 40.A O no hydrogen 3.134 N/A ALA 60.A N PHE 57.A O no hydrogen 3.310 N/A ILE 61.A N ALA 87.A O no hydrogen 2.847 N/A VAL 62.A N ARG 43.A O no hydrogen 2.901 N/A GLY 63.A N ILE 89.A O no hydrogen 2.807 N/A SER 70.A OG ASP 68.A OD1 no hydrogen 3.510 N/A SER 73.A OG GLY 92.A O no hydrogen 3.307 N/A GLY 74.A N GLY 98.A O no hydrogen 2.868 N/A VAL 75.A N THR 48.A OG1 no hydrogen 3.278 N/A VAL 76.A N THR 100.A O no hydrogen 2.843 N/A ILE 77.A N THR 49.A O no hydrogen 2.846 N/A GLY 78.A N ILE 102.A O no hydrogen 2.679 N/A LYS 79.A N ASP 104.A OD1 no hydrogen 2.836 N/A ASN 80.A N ASP 52.A O no hydrogen 2.941 N/A ASN 80.A ND2.A ASN 105.A OD1 no hydrogen 3.200 N/A ASN 80.A ND2.B ASN 105.A OD1 no hydrogen 3.313 N/A ALA 81.A N SER 54.A OG no hydrogen 3.107 N/A THR 82.A N ALA 106.A O no hydrogen 2.832 N/A ILE 83.A N ARG 55.A O no hydrogen 2.909 N/A ARG 84.A N ILE 108.A O no hydrogen 2.750 N/A ARG 84.A NE GLU 85.A OE1 no hydrogen 2.831 N/A ARG 84.A NH2 GLU 85.A OE1 no hydrogen 3.182 N/A ARG 84.A NH2 GLU 85.A OE2 no hydrogen 3.220 N/A GLU 85.A N GLU 85.A OE1 no hydrogen 2.687 N/A THR 88.A N CYS 111.A O no hydrogen 2.894 N/A THR 88.A OG1 HIS 112.A ND1 no hydrogen 2.759 N/A ILE 89.A N ILE 61.A O no hydrogen 2.982 N/A ASN 90.A N ILE 113.A O no hydrogen 2.964 N/A ASN 90.A ND2 ASP 64.A OD1 no hydrogen 2.727 N/A SER 91.A N ASP 64.A O no hydrogen 2.825 N/A SER 91.A OG GLY 63.A O no hydrogen 2.839 N/A SER 91.A OG ASP 64.A O no hydrogen 3.410 N/A GLY 92.A N GLY 74.A O no hydrogen 3.420 N/A GLY 92.A N GLY 98.A O no hydrogen 3.147 N/A THR 93.A N ASP 116.A OD1 no hydrogen 2.767 N/A THR 93.A OG1 ASP 116.A OD2 no hydrogen 2.764 N/A LYS 95.A N THR 93.A OG1 no hydrogen 3.282 N/A GLY 96.A N THR 93.A O no hydrogen 3.095 N/A GLY 98.A N THR 93.A O no hydrogen 2.726 N/A PHE 99.A N ASP 97.A OD1 no hydrogen 2.916 N/A THR 100.A N GLY 74.A O no hydrogen 3.023 N/A THR 100.A OG1 ASN 90.A O no hydrogen 2.786 N/A ARG 101.A N CYS 117.A O no hydrogen 3.048 N/A ARG 101.A NH2 ASP 97.A OD1 no hydrogen 3.473 N/A ARG 101.A NH2 ASP 97.A OD2 no hydrogen 2.841 N/A ILE 102.A N VAL 76.A O no hydrogen 2.808 N/A GLY 103.A N LEU 119.A O no hydrogen 2.956 N/A GLY 103.A N GLY 120.A O no hydrogen 3.266 N/A ASP 104.A N ASN 121.A OD1 no hydrogen 2.780 N/A ASN 105.A N LYS 79.A O no hydrogen 2.808 N/A ASN 105.A ND2 ASN 122.A OD1 no hydrogen 2.856 N/A PHE 107.A N ILE 123.A O no hydrogen 2.877 N/A ILE 108.A N THR 82.A O no hydrogen 2.861 N/A ALA 109.A N ASN 127.A OD1 no hydrogen 3.389 N/A TYR 110.A N GLU 85.A O no hydrogen 3.005 N/A CYS 111.A SG LEU 125.A O no hydrogen 3.665 N/A CYS 111.A SG ALA 126.A O no hydrogen 2.861 N/A HIS 112.A N ALA 129.A O no hydrogen 3.047 N/A HIS 112.A ND1 THR 88.A OG1 no hydrogen 2.759 N/A ILE 113.A N THR 88.A O no hydrogen 2.874 N/A ALA 114.A N LEU 131.A O no hydrogen 2.948 N/A HIS 115.A ND1 ASP 116.A OD2 no hydrogen 2.837 N/A ASP 116.A N THR 100.A OG1 no hydrogen 2.777 N/A CYS 117.A N ALA 114.A O no hydrogen 3.356 N/A CYS 117.A SG ALA 114.A O no hydrogen 3.229 N/A CYS 117.A SG ALA 132.A O no hydrogen 3.130 N/A LEU 118.A N VAL 135.A O no hydrogen 2.961 N/A LEU 119.A N ARG 101.A O no hydrogen 2.872 N/A GLY 120.A N LEU 137.A O no hydrogen 2.875 N/A ASN 121.A N ASP 139.A OD1 no hydrogen 2.853 N/A ASN 122.A N ASP 104.A O no hydrogen 2.862 N/A ILE 124.A N THR 141.A O no hydrogen 3.106 N/A LEU 125.A N PHE 107.A O no hydrogen 2.883 N/A ALA 126.A N VAL 143.A O no hydrogen 3.064 N/A ASN 128.A N ALA 109.A O no hydrogen 3.123 N/A ALA 129.A N ALA 126.A O no hydrogen 3.125 N/A THR 130.A N THR 147.A O no hydrogen 2.992 N/A THR 130.A OG1 ASN 128.A O no hydrogen 2.945 N/A LEU 131.A N HIS 112.A O no hydrogen 2.834 N/A ALA 132.A N ILE 149.A O no hydrogen 3.035 N/A HIS 134.A N HIS 115.A O no hydrogen 3.074 N/A GLU 136.A N VAL 153.A O no hydrogen 2.993 N/A LEU 137.A N LEU 118.A O no hydrogen 3.008 N/A GLY 138.A N VAL 155.A O no hydrogen 2.809 N/A PHE 140.A N ASN 121.A O no hydrogen 2.784 N/A THR 141.A N GLY 138.A O no hydrogen 3.213 N/A THR 141.A OG1 GLY 138.A O no hydrogen 2.850 N/A VAL 142.A N CYS 159.A O no hydrogen 2.956 N/A VAL 143.A N ILE 124.A O no hydrogen 2.949 N/A GLY 144.A N ILE 160.A O no hydrogen 2.699 N/A LEU 146.A N ASN 127.A O no hydrogen 2.883 N/A THR 147.A OG1 ALA 161.A O no hydrogen 2.793 N/A THR 147.A OG1 SER 164.A O no hydrogen 3.391 N/A ILE 149.A N THR 130.A O no hydrogen 2.853 N/A HIS 150.A N LEU 166.A O no hydrogen 2.656 N/A HIS 150.A ND1 GLN 151.A O no hydrogen 2.755 N/A PHE 152.A N GLY 133.A O no hydrogen 2.895 N/A VAL 153.A N HIS 150.A O no hydrogen 3.283 N/A LYS 154.A N ASP 169.A OD1 no hydrogen 2.990 N/A LYS 154.A NZ ASP 169.A OD2 no hydrogen 3.456 N/A VAL 155.A N GLU 136.A O no hydrogen 2.802 N/A GLY 156.A N ILE 170.A O no hydrogen 2.838 N/A GLY 158.A N ASP 139.A O no hydrogen 2.851 N/A CYS 159.A SG GLY 156.A O no hydrogen 3.196 N/A CYS 159.A SG GLU 157.A O no hydrogen 3.718 N/A CYS 159.A SG ILE 170.A O no hydrogen 3.662 N/A CYS 159.A SG VAL 171.A O no hydrogen 2.904 N/A ALA 161.A N ALA 176.A O no hydrogen 2.962 N/A ALA 163.A N GLY 145.A O no hydrogen 2.915 N/A SER 164.A N THR 147.A OG1 no hydrogen 3.058 N/A SER 164.A OG ALA 161.A O no hydrogen 3.495 N/A SER 164.A OG GLY 162.A O no hydrogen 2.994 N/A ALA 165.A N GLY 178.A O no hydrogen 2.812 N/A LEU 166.A N PRO 148.A O no hydrogen 2.934 N/A GLN 168.A NE2 ARG 243.A O no hydrogen 2.780 N/A ASP 169.A N GLY 244.A O no hydrogen 2.887 N/A ILE 170.A N LYS 154.A O no hydrogen 2.942 N/A PHE 173.A N GLU 157.A O no hydrogen 2.766 N/A CYS 174.A SG PRO 172.A O no hydrogen 3.470 N/A LEU 175.A N SER 185.A O no hydrogen 2.786 N/A GLU 177.A N SER 182.A O no hydrogen 3.000 N/A GLY 178.A N SER 164.A OG no hydrogen 3.251 N/A ARG 180.A NH1.A ASN 179.A OD1 no hydrogen 3.136 N/A ALA 181.A N ALA 165.A O no hydrogen 2.887 N/A SER 182.A N GLU 177.A O no hydrogen 2.883 N/A SER 182.A OG GLU 177.A O no hydrogen 3.567 N/A ILE 183.A N PRO 246.A O no hydrogen 3.009 N/A ARG 184.A N LEU 175.A O no hydrogen 2.917 N/A ARG 184.A NE GLU 177.A O no hydrogen 3.244 N/A ARG 184.A NE SER 182.A O no hydrogen 3.315 N/A ARG 184.A NE SER 182.A OG no hydrogen 3.138 N/A ARG 184.A NH2 GLU 177.A O no hydrogen 2.983 N/A SER 185.A OG LEU 186.A O no hydrogen 2.859 N/A ASN 187.A N PHE 173.A O no hydrogen 2.773 N/A ASN 187.A ND2 GLY 158.A O no hydrogen 2.857 N/A GLY 190.A N ASN 187.A OD1 no hydrogen 3.146 N/A ILE 191.A N ASN 187.A O no hydrogen 3.181 N/A ARG 192.A N LEU 188.A O no hydrogen 3.046 N/A ARG 193.A N VAL 189.A O no hydrogen 3.148 N/A ARG 194.A N ILE 191.A O no hydrogen 3.260 N/A ARG 194.A NH1 GLU 157.A OE2 no hydrogen 3.343 N/A ARG 194.A NH2 GLU 157.A OE2 no hydrogen 2.831 N/A PHE 195.A N ILE 191.A O no hydrogen 2.868 N/A GLU 199.A N ASP 196.A OD1 no hydrogen 2.602 N/A VAL 200.A N ASP 196.A O no hydrogen 2.914 N/A ASP 201.A N LYS 197.A O no hydrogen 3.051 N/A ARG 202.A N ASP 198.A O no hydrogen 2.953 N/A ARG 202.A NH2.A GLU 199.A OE2 no hydrogen 3.154 N/A LEU 203.A N GLU 199.A O no hydrogen 2.634 N/A SER 204.A N VAL 200.A O no hydrogen 2.883 N/A SER 204.A OG VAL 200.A O no hydrogen 3.158 N/A ARG 205.A N ASP 201.A O no hydrogen 3.018 N/A ARG 205.A NE ASP 201.A OD2 no hydrogen 2.917 N/A ALA 206.A N ARG 202.A O no hydrogen 2.898 N/A PHE 207.A N LEU 203.A O no hydrogen 2.755 N/A LYS 208.A N SER 204.A O no hydrogen 3.068 N/A THR 209.A N ARG 205.A O no hydrogen 2.788 N/A THR 209.A OG1 ARG 205.A O no hydrogen 2.900 N/A LEU 210.A N ALA 206.A O no hydrogen 2.830 N/A PHE 211.A N PHE 207.A O no hydrogen 2.831 N/A ARG 212.A N LYS 208.A O no hydrogen 3.098 N/A GLU 218.A N ASP 215.A OD2 no hydrogen 2.650 N/A ASN 219.A N ASP 215.A O no hydrogen 2.860 N/A ASN 219.A ND2 LEU 210.A O no hydrogen 3.271 N/A ASN 219.A ND2 GLN 213.A O no hydrogen 2.860 N/A ALA 220.A N LEU 216.A O no hydrogen 2.826 N/A LYS 221.A N LYS 217.A O no hydrogen 3.018 N/A ASN 222.A N GLU 218.A O no hydrogen 3.121 N/A LEU 223.A N ASN 219.A O no hydrogen 2.934 N/A LEU 224.A N ALA 220.A O no hydrogen 2.974 N/A GLU 225.A N LYS 221.A O no hydrogen 3.365 N/A GLU 225.A N ASN 222.A O no hydrogen 3.014 N/A GLN 227.A N LEU 224.A O no hydrogen 3.058 N/A GLN 227.A NE2 LEU 223.A O no hydrogen 2.908 N/A SER 229.A N GLN 227.A OE1 no hydrogen 3.300 N/A SER 229.A OG GLU 199.A OE1 no hydrogen 3.086 N/A SER 229.A OG GLU 199.A OE2 no hydrogen 3.559 N/A ASN 231.A ND2 GLU 199.A OE1 no hydrogen 3.075 N/A VAL 232.A N SER 229.A OG no hydrogen 3.113 N/A LYS 233.A N SER 229.A O no hydrogen 3.171 N/A LYS 233.A NZ GLU 230.A OE2 no hydrogen 3.353 N/A LYS 234.A N GLU 230.A O no hydrogen 3.100 N/A LYS 234.A NZ GLU 157.A OE1 no hydrogen 3.249 N/A CYS 235.A SG ALA 220.A O no hydrogen 3.580 N/A CYS 235.A SG VAL 232.A O no hydrogen 3.067 N/A HIS 236.A N LYS 233.A O no hydrogen 2.841 N/A PHE 237.A N LYS 234.A O no hydrogen 2.887 N/A LEU 239.A N CYS 235.A O no hydrogen 2.967 N/A GLU 240.A N HIS 236.A O no hydrogen 2.864 N/A THR 241.A N ILE 238.A O no hydrogen 3.447 N/A THR 241.A OG1 ASP 169.A OD2 no hydrogen 2.795 N/A LYS 242.A N ASP 169.A OD2 no hydrogen 3.230 N/A LYS 242.A NZ GLU 240.A O no hydrogen 2.560 N/A ARG 243.A N ASP 169.A OD2 no hydrogen 2.941 N/A ARG 243.A NE SER 167.A O no hydrogen 2.882 N/A ARG 243.A NH1 SER 167.A O no hydrogen 2.984 N/A GLY 244.A N THR 241.A OG1 no hydrogen 2.919 N/A TYR 248.A N ILE 183.A O no hydrogen 3.303 N/A ARG 249.A NH2 PHE 211.A O no hydrogen 3.073 N/A