Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a5w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N GLU 9.A OE1 no hydrogen 3.247 N/A GLY 8.A N ILE 133.A O no hydrogen 2.927 N/A GLU 9.A N LEU 6.A O no hydrogen 3.191 N/A ARG 10.A NH1 GLU 13.A OE2 no hydrogen 3.293 N/A ARG 10.A NH2 ASP 27.A OD1 no hydrogen 3.446 N/A PHE 11.A N GLY 131.A O no hydrogen 2.768 N/A MET 14.A N LEU 25.A O no hydrogen 2.991 N/A VAL 16.A N ILE 23.A O no hydrogen 2.898 N/A THR 18.A N GLY 21.A O no hydrogen 2.927 N/A THR 18.A OG1 GLY 21.A O no hydrogen 3.179 N/A ASP 19.A N ILE 100.A O no hydrogen 3.133 N/A HIS 20.A N THR 18.A OG1 no hydrogen 3.115 N/A GLY 21.A N THR 18.A O no hydrogen 3.042 N/A ILE 23.A N VAL 16.A O no hydrogen 3.024 N/A LYS 24.A NZ ASP 27.A OD2 no hydrogen 3.141 N/A LEU 25.A N MET 14.A O no hydrogen 2.830 N/A HIS 28.A N LYS 24.A O no hydrogen 2.928 N/A TYR 29.A N PRO 26.A O no hydrogen 2.975 N/A SER 31.A N ASP 27.A O no hydrogen 3.209 N/A SER 31.A OG ASP 27.A O no hydrogen 2.908 N/A GLN 32.A N TYR 29.A O no hydrogen 2.716 N/A GLN 32.A NE2 HIS 28.A O no hydrogen 3.050 N/A GLY 33.A N VAL 30.A O no hydrogen 2.984 N/A LYS 34.A N TYR 29.A O no hydrogen 3.162 N/A LYS 34.A NZ GLN 32.A OE1 no hydrogen 3.493 N/A LYS 34.A NZ ASP 69.A OD1 no hydrogen 3.406 N/A LYS 34.A NZ ASP 69.A OD2 no hydrogen 3.133 N/A PHE 36.A N VAL 127.A O no hydrogen 2.897 N/A VAL 37.A N ASP 69.A O no hydrogen 2.809 N/A LEU 38.A N PHE 125.A O no hydrogen 3.115 N/A PHE 39.A N ILE 71.A O no hydrogen 3.141 N/A SER 40.A N GLY 123.A O no hydrogen 3.181 N/A SER 40.A OG VAL 121.A O no hydrogen 2.608 N/A HIS 41.A N LEU 73.A O no hydrogen 2.932 N/A HIS 41.A NE2 ASP 44.A OD1 no hydrogen 3.143 N/A ASP 44.A N ASP 76.A OD1 no hydrogen 3.109 N/A CYS 49.A SG ALA 43.A O no hydrogen 3.828 N/A THR 50.A N THR 46.A O no hydrogen 3.185 N/A THR 50.A OG1 THR 46.A O no hydrogen 2.884 N/A THR 51.A N PRO 47.A O no hydrogen 3.020 N/A THR 51.A OG1 VAL 48.A O no hydrogen 2.876 N/A GLU 52.A N VAL 48.A O no hydrogen 3.024 N/A PHE 53.A N CYS 49.A O no hydrogen 3.033 N/A VAL 54.A N THR 50.A O no hydrogen 3.115 N/A SER 55.A N THR 51.A O no hydrogen 3.272 N/A PHE 56.A N GLU 52.A O no hydrogen 3.050 N/A ALA 57.A N PHE 53.A O no hydrogen 3.117 N/A ARG 58.A N VAL 54.A O no hydrogen 2.886 N/A ARG 59.A N SER 55.A O no hydrogen 3.145 N/A ARG 59.A NE ASP 148.A OD1 no hydrogen 3.102 N/A ARG 59.A NE ASP 148.A OD2 no hydrogen 3.507 N/A ARG 59.A NH1 SER 55.A O no hydrogen 3.147 N/A ARG 59.A NH2 ASP 148.A OD2 no hydrogen 3.355 N/A TYR 60.A N ALA 57.A O no hydrogen 3.146 N/A PHE 63.A N ARG 59.A O no hydrogen 3.170 N/A GLN 64.A N TYR 60.A O no hydrogen 3.153 N/A ARG 65.A N GLU 61.A O no hydrogen 3.029 N/A GLY 67.A N GLN 64.A O no hydrogen 3.119 N/A VAL 68.A N PHE 63.A O no hydrogen 3.052 N/A ASP 69.A N TRP 35.A O no hydrogen 2.952 N/A ILE 71.A N VAL 37.A O no hydrogen 3.048 N/A GLY 72.A N PRO 99.A O no hydrogen 2.886 N/A SER 74.A N ILE 101.A O no hydrogen 3.249 N/A SER 74.A OG HIS 41.A NE2 no hydrogen 3.147 N/A SER 74.A OG ASP 44.A OD1 no hydrogen 3.391 N/A SER 80.A N SER 77.A OG no hydrogen 3.262 N/A HIS 81.A N SER 77.A O no hydrogen 3.162 N/A HIS 81.A ND1 ASP 44.A OD2 no hydrogen 2.566 N/A HIS 81.A NE2 ILE 101.A O no hydrogen 2.968 N/A ILE 82.A N VAL 78.A O no hydrogen 3.094 N/A LYS 83.A N PHE 79.A O no hydrogen 3.204 N/A LYS 83.A NZ GLU 86.A OE1 no hydrogen 3.436 N/A TRP 84.A N SER 80.A O no hydrogen 2.805 N/A TRP 84.A NE1 THR 50.A OG1 no hydrogen 2.992 N/A LYS 85.A N HIS 81.A O no hydrogen 3.133 N/A LYS 85.A NZ ASP 19.A OD1 no hydrogen 3.126 N/A LYS 85.A NZ ASP 19.A OD2 no hydrogen 2.594 N/A LYS 85.A NZ PHE 98.A O no hydrogen 3.003 N/A GLU 86.A N ILE 82.A O no hydrogen 3.091 N/A TRP 87.A N LYS 83.A O no hydrogen 3.152 N/A ILE 88.A N TRP 84.A O no hydrogen 3.133 N/A GLU 89.A N LYS 85.A O no hydrogen 3.033 N/A ARG 90.A N GLU 86.A O no hydrogen 2.968 N/A HIS 91.A N TRP 87.A O no hydrogen 2.669 N/A ILE 92.A N ILE 88.A O no hydrogen 3.037 N/A GLY 93.A N ILE 88.A O no hydrogen 3.283 N/A ILE 100.A N ASP 19.A OD1 no hydrogen 2.962 N/A ILE 101.A N GLY 72.A O no hydrogen 3.014 N/A ALA 102.A N THR 17.A O no hydrogen 2.948 N/A GLY 106.A N ASP 103.A O no hydrogen 2.637 N/A VAL 108.A N ASP 103.A OD1 no hydrogen 2.993 N/A ALA 109.A N ASP 103.A OD2 no hydrogen 2.802 N/A ARG 110.A N GLY 106.A O no hydrogen 3.110 N/A ARG 110.A NH2 GLN 105.A O no hydrogen 2.648 N/A ARG 111.A N THR 107.A O no hydrogen 3.289 N/A ARG 111.A NH2 GLU 13.A O no hydrogen 2.297 N/A LEU 112.A N VAL 108.A O no hydrogen 3.053 N/A GLY 113.A N ARG 110.A O no hydrogen 2.936 N/A LEU 114.A N ALA 109.A O no hydrogen 2.919 N/A HIS 119.A ND1 PRO 42.A O no hydrogen 2.701 N/A THR 120.A OG1 HIS 41.A O no hydrogen 2.808 N/A THR 120.A OG1 VAL 121.A O no hydrogen 3.177 N/A VAL 121.A N LEU 114.A O no hydrogen 3.087 N/A ARG 122.A N TYR 139.A O no hydrogen 3.312 N/A ARG 122.A NE PRO 140.A O no hydrogen 3.087 N/A ARG 122.A NE MET 141.A O no hydrogen 3.177 N/A ARG 122.A NH1 GLU 52.A OE1 no hydrogen 3.038 N/A ARG 122.A NH2 MET 141.A O no hydrogen 2.552 N/A GLY 123.A N SER 40.A OG no hydrogen 3.415 N/A VAL 124.A N LEU 137.A O no hydrogen 2.612 N/A PHE 125.A N LEU 38.A O no hydrogen 3.057 N/A ILE 126.A N THR 135.A O no hydrogen 3.020 N/A VAL 127.A N PHE 36.A O no hydrogen 3.006 N/A ASP 128.A N VAL 132.A O no hydrogen 2.957 N/A ARG 130.A N ASP 128.A OD1 no hydrogen 3.206 N/A GLY 131.A N ASP 128.A O no hydrogen 2.857 N/A VAL 132.A N ASP 128.A OD1 no hydrogen 2.844 N/A ILE 133.A N GLU 9.A O no hydrogen 3.073 N/A ARG 134.A N ILE 126.A O no hydrogen 2.706 N/A ARG 134.A NH1 ASP 128.A OD2 no hydrogen 3.241 N/A ARG 134.A NH1 ASP 161.A OD1 no hydrogen 3.557 N/A ARG 134.A NH1 ASP 161.A OD2 no hydrogen 2.962 N/A ARG 134.A NH2 ASP 161.A OD1 no hydrogen 3.098 N/A THR 135.A OG1 ARG 134.A O no hydrogen 2.747 N/A LEU 137.A N VAL 124.A O no hydrogen 3.095 N/A TYR 139.A N ARG 122.A O no hydrogen 3.225 N/A LEU 143.A N PRO 140.A O no hydrogen 3.253 N/A ARG 145.A N GLU 52.A OE2 no hydrogen 2.928 N/A ARG 145.A NE GLU 52.A OE2 no hydrogen 3.144 N/A ARG 145.A NH1 SER 40.A O no hydrogen 3.193 N/A ARG 145.A NH2 SER 40.A O no hydrogen 3.263 N/A ARG 145.A NH2 GLU 52.A OE1 no hydrogen 2.668 N/A GLU 149.A N LEU 146.A O no hydrogen 3.238 N/A ILE 150.A N VAL 147.A O no hydrogen 3.060 N/A LEU 151.A N VAL 147.A O no hydrogen 3.298 N/A ARG 152.A N ASP 148.A O no hydrogen 3.021 N/A ARG 152.A NE GLU 149.A OE1 no hydrogen 2.630 N/A ARG 152.A NH1 TRP 171.A O no hydrogen 3.013 N/A ARG 152.A NH2 GLU 149.A OE2 no hydrogen 2.936 N/A ILE 153.A N GLU 149.A O no hydrogen 2.863 N/A VAL 154.A N ILE 150.A O no hydrogen 3.136 N/A LYS 155.A N LEU 151.A O no hydrogen 2.980 N/A LYS 155.A NZ ASP 218.A OD1 no hydrogen 3.293 N/A ALA 156.A N ARG 152.A O no hydrogen 3.023 N/A LEU 157.A N ILE 153.A O no hydrogen 3.094 N/A LYS 158.A N VAL 154.A O no hydrogen 3.164 N/A LEU 159.A N LYS 155.A O no hydrogen 3.003 N/A GLY 160.A N ALA 156.A O no hydrogen 3.150 N/A ASP 161.A N LEU 157.A O no hydrogen 3.175 N/A SER 162.A N LYS 158.A O no hydrogen 3.168 N/A SER 162.A OG LYS 158.A O no hydrogen 3.376 N/A SER 162.A OG LEU 159.A O no hydrogen 3.569 N/A LEU 163.A N LEU 159.A O no hydrogen 3.011 N/A ARG 165.A N GLY 160.A O no hydrogen 3.092 N/A ARG 165.A NE ASP 211.A OD1 no hydrogen 2.921 N/A ARG 165.A NH1 LYS 164.A O no hydrogen 3.240 N/A ARG 165.A NH2 ASP 211.A OD2 no hydrogen 2.862 N/A ALA 166.A N ILE 182.A O no hydrogen 2.976 N/A TRP 171.A N PRO 168.A O no hydrogen 3.309 N/A TRP 171.A NE1 GLU 179.A O no hydrogen 3.243 N/A ASN 173.A N ASP 170.A O no hydrogen 2.736 N/A ASN 174.A N GLY 178.A O no hydrogen 3.235 N/A ASN 174.A ND2 ALA 169.A O no hydrogen 2.657 N/A ILE 176.A N ASN 174.A OD1 no hydrogen 3.056 N/A ILE 177.A N ASN 174.A OD1 no hydrogen 3.019 N/A GLY 178.A N ASN 174.A O no hydrogen 2.590 N/A GLY 180.A N ILE 177.A O no hydrogen 2.862 N/A LEU 181.A N ASP 211.A O no hydrogen 2.923 N/A ILE 182.A N ALA 166.A O no hydrogen 2.919 N/A VAL 183.A N CYS 209.A O no hydrogen 3.027 N/A THR 187.A N GLN 191.A OE1 no hydrogen 2.808 N/A THR 187.A OG1 GLN 191.A OE1 no hydrogen 3.568 N/A GLN 191.A N THR 188.A OG1 no hydrogen 3.012 N/A ALA 192.A N THR 188.A O no hydrogen 2.924 N/A ARG 193.A N GLU 189.A O no hydrogen 3.108 N/A ALA 194.A N ASP 190.A O no hydrogen 3.139 N/A ARG 195.A N GLN 191.A O no hydrogen 3.233 N/A ARG 195.A NH1 PRO 184.A O no hydrogen 3.416 N/A GLU 197.A N ARG 193.A O no hydrogen 3.002 N/A SER 198.A N ARG 195.A O no hydrogen 3.317 N/A SER 198.A OG ARG 195.A O no hydrogen 3.142 N/A GLN 200.A N SER 198.A OG no hydrogen 3.418 N/A GLN 200.A NE2 SER 198.A OG no hydrogen 3.206 N/A CYS 203.A SG ASP 205.A O no hydrogen 3.603 N/A LEU 204.A N PHE 208.A O no hydrogen 2.863 N/A TRP 206.A N ASP 205.A OD1 no hydrogen 2.751 N/A PHE 208.A N ASP 205.A O no hydrogen 2.901 N/A CYS 209.A SG ASP 205.A O no hydrogen 3.960 N/A TRP 210.A N ARG 202.A O no hydrogen 3.095 N/A ASP 211.A N LEU 181.A O no hydrogen 3.004 N/A THR 212.A OG1 THR 212.A O no hydrogen 2.901 N/A SER 215.A N ASP 218.A OD2 no hydrogen 3.150 N/A ASP 217.A N SER 215.A OG no hydrogen 3.150 N/A ASP 218.A N SER 215.A OG no hydrogen 3.283 N/A VAL 219.A N SER 215.A O no hydrogen 3.206 N/A GLU 220.A N ARG 216.A O no hydrogen 3.098 N/A GLU 221.A N ASP 217.A O no hydrogen 2.978 N/A ALA 222.A N ASP 218.A O no hydrogen 3.398 N/A ARG 223.A N VAL 219.A O no hydrogen 3.208 N/A ARG 223.A NE ASN 173.A OD1 no hydrogen 2.785 N/A ARG 223.A NH2 PRO 172.A O no hydrogen 2.935 N/A ARG 223.A NH2 ASN 173.A OD1 no hydrogen 2.999 N/A ARG 224.A N GLU 220.A O no hydrogen 3.023 N/A ARG 224.A NE GLU 221.A OE2 no hydrogen 3.188 N/A ARG 224.A NH1 ASP 62.A OD1 no hydrogen 3.447 N/A ARG 224.A NH1 ASP 62.A OD2 no hydrogen 3.134 N/A ARG 224.A NH2 ASP 62.A OD1 no hydrogen 3.043 N/A ARG 224.A NH2 GLU 221.A OE1 no hydrogen 2.469 N/A TYR 225.A N GLU 221.A O no hydrogen 3.344 N/A ARG 227.A N ARG 223.A O no hydrogen 2.872 N/A ARG 228.A N ARG 224.A O no hydrogen 3.026 N/A ARG 228.A NE ASP 148.A OD1 no hydrogen 2.939 N/A ARG 228.A NH1 ASP 62.A OD2 no hydrogen 2.778 N/A ARG 228.A NH2 ASP 62.A OD2 no hydrogen 2.764 N/A ARG 228.A NH2 ASP 148.A OD1 no hydrogen 2.856 N/A ALA 229.A N TYR 225.A O no hydrogen 3.236 N/A ALA 230.A N LEU 226.A O no hydrogen 3.106 N/A GLU 231.A N ARG 227.A O no hydrogen 3.228 N/A GLU 239.A N LEU 236.A O no hydrogen 3.128 N/A ALA 241.A N TYR 238.A O no hydrogen 3.132 N/A