Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a2w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N GLU 9.A OE1 no hydrogen 3.271 N/A GLY 8.A N ILE 136.A O no hydrogen 2.955 N/A GLU 9.A N LEU 6.A O no hydrogen 2.999 N/A ARG 10.A NH2 ASP 27.A OD1 no hydrogen 3.539 N/A PHE 11.A N GLY 134.A O no hydrogen 2.715 N/A MET 14.A N LEU 25.A O no hydrogen 2.975 N/A VAL 16.A N ILE 23.A O no hydrogen 2.765 N/A THR 18.A N GLY 21.A O no hydrogen 2.839 N/A THR 18.A OG1 GLY 21.A O no hydrogen 2.578 N/A ASP 19.A N ILE 100.A O no hydrogen 3.035 N/A HIS 20.A N THR 18.A OG1 no hydrogen 2.945 N/A GLY 21.A N THR 18.A O no hydrogen 2.944 N/A ILE 23.A N VAL 16.A O no hydrogen 2.951 N/A LYS 24.A NZ GLU 13.A OE2 no hydrogen 2.844 N/A LYS 24.A NZ ASP 27.A OD2 no hydrogen 3.222 N/A LEU 25.A N MET 14.A O no hydrogen 2.697 N/A HIS 28.A N LYS 24.A O no hydrogen 2.849 N/A TYR 29.A N PRO 26.A O no hydrogen 2.990 N/A VAL 30.A N PRO 26.A O no hydrogen 2.957 N/A SER 31.A N ASP 27.A O no hydrogen 3.003 N/A SER 31.A OG ASP 27.A O no hydrogen 2.892 N/A GLN 32.A N TYR 29.A O no hydrogen 2.894 N/A GLN 32.A NE2 HIS 28.A O no hydrogen 2.903 N/A GLY 33.A N VAL 30.A O no hydrogen 2.625 N/A LYS 34.A N TYR 29.A O no hydrogen 3.035 N/A LYS 34.A NZ ASP 69.A OD2 no hydrogen 3.210 N/A TRP 35.A N GLY 67.A O no hydrogen 3.220 N/A PHE 36.A N VAL 130.A O no hydrogen 3.010 N/A VAL 37.A N ASP 69.A O no hydrogen 2.749 N/A LEU 38.A N PHE 128.A O no hydrogen 3.012 N/A PHE 39.A N ILE 71.A O no hydrogen 3.230 N/A SER 40.A N GLY 126.A O no hydrogen 3.038 N/A SER 40.A OG VAL 124.A O no hydrogen 2.966 N/A HIS 41.A N LEU 73.A O no hydrogen 3.029 N/A HIS 41.A NE2 ASP 44.A OD1 no hydrogen 3.154 N/A ASP 44.A N ASP 76.A OD1 no hydrogen 2.539 N/A THR 46.A OG1 ALA 43.A O no hydrogen 2.580 N/A THR 46.A OG1 SER 49.A OG no hydrogen 3.134 N/A SER 49.A OG THR 46.A OG1 no hydrogen 3.134 N/A THR 50.A N THR 46.A O no hydrogen 3.001 N/A THR 50.A OG1 THR 46.A O no hydrogen 2.980 N/A THR 51.A N PRO 47.A O no hydrogen 2.999 N/A THR 51.A OG1 VAL 48.A O no hydrogen 2.513 N/A GLU 52.A N VAL 48.A O no hydrogen 2.976 N/A PHE 53.A N SER 49.A O no hydrogen 2.912 N/A VAL 54.A N THR 50.A O no hydrogen 3.022 N/A SER 55.A N THR 51.A O no hydrogen 2.934 N/A PHE 56.A N GLU 52.A O no hydrogen 2.901 N/A ALA 57.A N PHE 53.A O no hydrogen 2.825 N/A ARG 58.A N VAL 54.A O no hydrogen 3.014 N/A ARG 59.A N SER 55.A O no hydrogen 3.313 N/A ARG 59.A N PHE 56.A O no hydrogen 3.092 N/A ARG 59.A NE ASP 151.A OD1 no hydrogen 3.050 N/A ARG 59.A NE ASP 151.A OD2 no hydrogen 3.430 N/A ARG 59.A NH1 SER 55.A O no hydrogen 3.218 N/A ARG 59.A NH2 ASP 151.A OD2 no hydrogen 2.873 N/A TYR 60.A N ALA 57.A O no hydrogen 2.932 N/A TYR 60.A OH ASP 69.A OD1 no hydrogen 3.000 N/A PHE 63.A N ARG 59.A O no hydrogen 3.075 N/A GLN 64.A N TYR 60.A O no hydrogen 2.943 N/A ARG 65.A N GLU 61.A O no hydrogen 2.854 N/A LEU 66.A N PHE 63.A O no hydrogen 3.203 N/A GLY 67.A N GLN 64.A O no hydrogen 2.906 N/A VAL 68.A N PHE 63.A O no hydrogen 2.962 N/A ASP 69.A N TRP 35.A O no hydrogen 2.830 N/A ILE 71.A N VAL 37.A O no hydrogen 3.160 N/A GLY 72.A N PRO 99.A O no hydrogen 2.908 N/A SER 74.A N ILE 101.A O no hydrogen 3.233 N/A SER 74.A OG ASP 76.A OD1 no hydrogen 3.416 N/A ASP 76.A N SER 74.A OG no hydrogen 3.273 N/A HIS 81.A N SER 77.A O no hydrogen 3.129 N/A HIS 81.A NE2 ILE 101.A O no hydrogen 3.087 N/A ILE 82.A N VAL 78.A O no hydrogen 2.998 N/A LYS 83.A N PHE 79.A O no hydrogen 2.993 N/A LYS 83.A NZ GLU 86.A OE1 no hydrogen 3.023 N/A TRP 84.A N SER 80.A O no hydrogen 2.715 N/A TRP 84.A NE1 THR 50.A OG1 no hydrogen 3.131 N/A LYS 85.A N HIS 81.A O no hydrogen 2.980 N/A LYS 85.A NZ ASP 19.A OD1 no hydrogen 3.368 N/A LYS 85.A NZ ASP 19.A OD2 no hydrogen 3.257 N/A LYS 85.A NZ PHE 98.A O no hydrogen 2.667 N/A GLU 86.A N ILE 82.A O no hydrogen 3.028 N/A TRP 87.A N LYS 83.A O no hydrogen 3.024 N/A ILE 88.A N TRP 84.A O no hydrogen 3.087 N/A GLU 89.A N LYS 85.A O no hydrogen 2.944 N/A ARG 90.A N GLU 86.A O no hydrogen 3.058 N/A HIS 91.A N TRP 87.A O no hydrogen 2.821 N/A ILE 92.A N ILE 88.A O no hydrogen 2.957 N/A GLY 93.A N ILE 88.A O no hydrogen 3.018 N/A ILE 100.A N ASP 19.A OD1 no hydrogen 3.056 N/A ILE 101.A N GLY 72.A O no hydrogen 2.932 N/A ALA 102.A N THR 17.A O no hydrogen 2.727 N/A ASP 103.A N SER 74.A O no hydrogen 2.845 N/A GLY 106.A N ASP 103.A O no hydrogen 2.977 N/A VAL 108.A N ASP 103.A OD1 no hydrogen 2.896 N/A ALA 109.A N ASP 103.A OD2 no hydrogen 2.738 N/A ARG 110.A N GLY 106.A O no hydrogen 3.016 N/A ARG 110.A N THR 107.A O no hydrogen 3.277 N/A ARG 110.A NH1 GLN 105.A O no hydrogen 3.011 N/A ARG 110.A NH1 GLY 106.A O no hydrogen 3.134 N/A ARG 111.A N THR 107.A O no hydrogen 3.342 N/A LEU 112.A N VAL 108.A O no hydrogen 3.147 N/A GLY 113.A N ARG 110.A O no hydrogen 2.811 N/A LEU 114.A N ALA 109.A O no hydrogen 2.868 N/A SER 119.A OG THR 121.A OG1 no hydrogen 3.291 N/A THR 121.A N SER 119.A OG no hydrogen 3.063 N/A THR 121.A OG1 SER 119.A OG no hydrogen 3.291 N/A HIS 122.A N SER 119.A OG no hydrogen 2.924 N/A HIS 122.A ND1 PRO 42.A O no hydrogen 3.165 N/A THR 123.A OG1 HIS 41.A O no hydrogen 3.068 N/A THR 123.A OG1 VAL 124.A O no hydrogen 3.416 N/A VAL 124.A N LEU 114.A O no hydrogen 2.757 N/A ARG 125.A N TYR 142.A O no hydrogen 2.871 N/A ARG 125.A NE PRO 143.A O no hydrogen 3.113 N/A ARG 125.A NE MET 144.A O no hydrogen 2.868 N/A ARG 125.A NH1 SER 49.A OG no hydrogen 3.036 N/A ARG 125.A NH1 GLU 52.A OE1 no hydrogen 2.802 N/A ARG 125.A NH2 MET 144.A O no hydrogen 2.759 N/A GLY 126.A N SER 40.A OG no hydrogen 3.186 N/A VAL 127.A N LEU 140.A O no hydrogen 2.873 N/A PHE 128.A N LEU 38.A O no hydrogen 2.759 N/A ILE 129.A N THR 138.A O no hydrogen 2.989 N/A VAL 130.A N PHE 36.A O no hydrogen 3.080 N/A ASP 131.A N VAL 135.A O no hydrogen 2.984 N/A ARG 133.A N ASP 131.A OD1 no hydrogen 2.771 N/A ARG 133.A NH1 ASP 131.A OD2 no hydrogen 2.761 N/A GLY 134.A N ASP 131.A O no hydrogen 2.900 N/A VAL 135.A N ASP 131.A OD1 no hydrogen 2.957 N/A ILE 136.A N GLU 9.A O no hydrogen 2.905 N/A ARG 137.A N ILE 129.A O no hydrogen 2.772 N/A ARG 137.A NH1 ASP 131.A OD2 no hydrogen 3.228 N/A ARG 137.A NH1 ASP 164.A OD2 no hydrogen 3.068 N/A ARG 137.A NH2 ASP 164.A OD1 no hydrogen 3.227 N/A ARG 137.A NH2 ASP 164.A OD2 no hydrogen 3.386 N/A THR 138.A OG1 ARG 137.A O no hydrogen 2.719 N/A LEU 140.A N VAL 127.A O no hydrogen 2.934 N/A TYR 142.A N ARG 125.A O no hydrogen 2.759 N/A GLU 145.A N GLU 145.A OE2 no hydrogen 2.469 N/A ARG 148.A N GLU 52.A OE2 no hydrogen 2.941 N/A ARG 148.A NE GLU 52.A OE2 no hydrogen 2.719 N/A ARG 148.A NH1 SER 40.A O no hydrogen 3.134 N/A ARG 148.A NH2 SER 40.A O no hydrogen 2.818 N/A ARG 148.A NH2 GLU 52.A OE1 no hydrogen 2.747 N/A ARG 148.A NH2 GLU 52.A OE2 no hydrogen 3.199 N/A GLU 152.A N LEU 149.A O no hydrogen 2.864 N/A LEU 154.A N VAL 150.A O no hydrogen 3.140 N/A ARG 155.A N ASP 151.A O no hydrogen 2.926 N/A ARG 155.A NE GLU 152.A OE1 no hydrogen 2.790 N/A ARG 155.A NH1 TRP 174.A O no hydrogen 3.065 N/A ARG 155.A NH2 GLU 152.A OE2 no hydrogen 3.118 N/A ILE 156.A N GLU 152.A O no hydrogen 2.900 N/A VAL 157.A N ILE 153.A O no hydrogen 3.141 N/A LYS 158.A N LEU 154.A O no hydrogen 3.099 N/A LYS 158.A NZ ASP 221.A OD1 no hydrogen 2.835 N/A ALA 159.A N ARG 155.A O no hydrogen 3.028 N/A LEU 160.A N ILE 156.A O no hydrogen 2.963 N/A LYS 161.A N VAL 157.A O no hydrogen 2.927 N/A LEU 162.A N LYS 158.A O no hydrogen 2.862 N/A GLY 163.A N ALA 159.A O no hydrogen 2.807 N/A ASP 164.A N LEU 160.A O no hydrogen 3.246 N/A SER 165.A N LYS 161.A O no hydrogen 3.086 N/A SER 165.A OG LYS 161.A O no hydrogen 3.133 N/A SER 165.A OG LEU 162.A O no hydrogen 2.733 N/A LEU 166.A N LEU 162.A O no hydrogen 2.750 N/A ARG 168.A N GLY 163.A O no hydrogen 2.811 N/A ARG 168.A NE ASP 214.A OD1 no hydrogen 2.944 N/A ARG 168.A NH1 LYS 167.A O no hydrogen 2.950 N/A ARG 168.A NH2 ASP 214.A OD2 no hydrogen 2.777 N/A ALA 169.A N ILE 185.A O no hydrogen 2.728 N/A TRP 174.A N PRO 171.A O no hydrogen 3.178 N/A TRP 174.A NE1 GLU 182.A O no hydrogen 2.721 N/A ASN 176.A N ASP 173.A O no hydrogen 2.809 N/A ASN 177.A N GLY 181.A O no hydrogen 3.053 N/A ASN 177.A ND2 ALA 172.A O no hydrogen 2.839 N/A GLU 178.A N GLU 178.A OE2 no hydrogen 2.954 N/A ILE 179.A N ASN 177.A OD1 no hydrogen 2.732 N/A ILE 180.A N ASN 177.A OD1 no hydrogen 2.726 N/A GLY 181.A N ASN 177.A O no hydrogen 2.752 N/A GLU 182.A N GLU 182.A OE2 no hydrogen 2.751 N/A GLY 183.A N ILE 180.A O no hydrogen 3.065 N/A LEU 184.A N ASP 214.A O no hydrogen 2.768 N/A ILE 185.A N ALA 169.A O no hydrogen 2.845 N/A VAL 186.A N CYS 212.A O no hydrogen 2.977 N/A GLN 194.A N THR 191.A OG1 no hydrogen 3.046 N/A ALA 195.A N THR 191.A O no hydrogen 3.027 N/A ARG 196.A N GLU 192.A O no hydrogen 3.047 N/A ALA 197.A N ASP 193.A O no hydrogen 2.924 N/A ARG 198.A N GLN 194.A O no hydrogen 2.986 N/A ARG 198.A NH1 PRO 187.A O no hydrogen 2.755 N/A MET 199.A N ALA 195.A O no hydrogen 3.253 N/A GLU 200.A N ARG 196.A O no hydrogen 3.055 N/A SER 201.A N ARG 198.A O no hydrogen 3.237 N/A SER 201.A OG ARG 198.A O no hydrogen 2.678 N/A GLN 203.A N SER 201.A OG no hydrogen 3.160 N/A ARG 205.A N TRP 213.A O no hydrogen 3.320 N/A CYS 206.A SG TYR 204.A O no hydrogen 4.025 N/A LEU 207.A N PHE 211.A O no hydrogen 2.807 N/A TRP 209.A N ASP 208.A OD1 no hydrogen 2.775 N/A TRP 210.A NE1 ASP 208.A OD2 no hydrogen 2.839 N/A PHE 211.A N ASP 208.A O no hydrogen 2.905 N/A CYS 212.A SG ASP 208.A O no hydrogen 3.711 N/A TRP 213.A N ARG 205.A O no hydrogen 2.868 N/A ASP 214.A N LEU 184.A O no hydrogen 3.165 N/A SER 218.A N ASP 221.A OD2 no hydrogen 3.323 N/A SER 218.A OG ASP 221.A OD2 no hydrogen 2.798 N/A ASP 221.A N SER 218.A OG no hydrogen 3.134 N/A VAL 222.A N SER 218.A O no hydrogen 2.991 N/A GLU 223.A N ARG 219.A O no hydrogen 2.740 N/A GLU 224.A N ASP 220.A O no hydrogen 2.893 N/A ALA 225.A N ASP 221.A O no hydrogen 3.200 N/A ARG 226.A N VAL 222.A O no hydrogen 2.946 N/A ARG 226.A NE ASN 176.A OD1 no hydrogen 3.001 N/A ARG 226.A NH2 PRO 175.A O no hydrogen 3.203 N/A ARG 226.A NH2 ASN 176.A OD1 no hydrogen 3.192 N/A ARG 227.A N GLU 223.A O no hydrogen 2.703 N/A ARG 227.A NE GLU 224.A OE1 no hydrogen 2.675 N/A ARG 227.A NE GLU 224.A OE2 no hydrogen 3.393 N/A ARG 227.A NH1 ASP 62.A OD1 no hydrogen 3.559 N/A ARG 227.A NH1 ASP 62.A OD2 no hydrogen 2.957 N/A ARG 227.A NH2 ASP 62.A OD1 no hydrogen 2.917 N/A ARG 227.A NH2 ASP 62.A OD2 no hydrogen 3.457 N/A ARG 227.A NH2 GLU 224.A OE2 no hydrogen 2.766 N/A TYR 228.A N GLU 224.A O no hydrogen 3.152 N/A ARG 230.A N ARG 226.A O no hydrogen 2.869 N/A ARG 231.A N ARG 227.A O no hydrogen 2.794 N/A ARG 231.A NE ASP 151.A OD1 no hydrogen 2.765 N/A ARG 231.A NE ASP 151.A OD2 no hydrogen 3.560 N/A ARG 231.A NH1 ASP 62.A OD2 no hydrogen 2.767 N/A ARG 231.A NH2 ASP 62.A OD2 no hydrogen 2.877 N/A ARG 231.A NH2 ASP 151.A OD1 no hydrogen 2.739 N/A ALA 232.A N TYR 228.A O no hydrogen 3.131 N/A ALA 233.A N LEU 229.A O no hydrogen 3.113 N/A GLU 234.A N ARG 231.A O no hydrogen 3.337 N/A LEU 239.A N GLU 242.A OE1 no hydrogen 3.077 N/A GLU 242.A N LEU 239.A O no hydrogen 3.189 N/A ALA 244.A N TYR 241.A O no hydrogen 3.270 N/A