Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2p1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 6.A N TYR 2.A O no hydrogen 3.311 N/A PHE 8.A N VAL 5.A O no hydrogen 3.134 N/A TYR 9.A N TRP 6.A O no hydrogen 3.104 N/A LYS 10.A N TRP 6.A O no hydrogen 3.114 N/A LYS 10.A NZ GLU 13.A OE1 no hydrogen 2.501 N/A ALA 12.A N PHE 8.A O no hydrogen 3.025 N/A GLU 13.A N TYR 9.A O no hydrogen 2.716 N/A ALA 14.A N LYS 10.A O no hydrogen 3.081 N/A SER 15.A N ALA 12.A O no hydrogen 3.021 N/A PHE 16.A N GLU 13.A O no hydrogen 3.030 N/A TRP 17.A NE1 ASP 174.A OD2 no hydrogen 2.812 N/A THR 18.A N GLU 21.A OE2 no hydrogen 3.423 N/A ALA 19.A N THR 18.A OG1 no hydrogen 2.678 N/A GLU 21.A N THR 18.A O no hydrogen 3.105 N/A SER 25.A OG ASP 23.A O no hydrogen 2.485 N/A SER 25.A OG SER 26.A OG no hydrogen 3.320 N/A SER 26.A OG SER 25.A OG no hydrogen 3.320 N/A GLU 32.A N LEU 28.A O no hydrogen 2.955 N/A GLU 32.A N LYS 29.A O no hydrogen 3.193 N/A LYS 33.A N LYS 29.A O no hydrogen 2.794 N/A LEU 34.A N ASP 30.A O no hydrogen 2.825 N/A ASN 37.A N ASN 35.A OD1 no hydrogen 3.156 N/A GLU 38.A N ASN 35.A O no hydrogen 3.234 N/A LYS 39.A N ASN 35.A O no hydrogen 3.075 N/A LYS 39.A NZ LEU 34.A O no hydrogen 2.925 N/A ILE 42.A N GLU 38.A O no hydrogen 3.354 N/A LYS 43.A N LYS 39.A O no hydrogen 3.020 N/A HIS 44.A N HIS 40.A O no hydrogen 3.173 N/A VAL 45.A N PHE 41.A O no hydrogen 2.756 N/A LEU 46.A N ILE 42.A O no hydrogen 3.046 N/A PHE 48.A N VAL 45.A O no hydrogen 2.869 N/A PHE 49.A N VAL 45.A O no hydrogen 2.874 N/A ALA 50.A N LEU 46.A O no hydrogen 3.365 N/A LYS 58.A N LEU 55.A O no hydrogen 2.717 N/A PHE 59.A N LEU 55.A O no hydrogen 3.248 N/A LEU 60.A N ALA 56.A O no hydrogen 2.612 N/A VAL 63.A N PHE 59.A O no hydrogen 2.983 N/A ALA 68.A N ILE 65.A O no hydrogen 2.496 N/A LYS 69.A N ILE 65.A O no hydrogen 3.105 N/A LYS 69.A NZ VAL 63.A O no hydrogen 3.008 N/A LYS 69.A NZ GLU 64.A OE2 no hydrogen 3.279 N/A LYS 70.A N ILE 66.A O no hydrogen 2.921 N/A PHE 71.A N GLU 67.A O no hydrogen 3.446 N/A TYR 72.A N ALA 68.A O no hydrogen 2.889 N/A SER 73.A N LYS 69.A O no hydrogen 2.802 N/A SER 73.A OG LYS 70.A O no hydrogen 3.397 N/A PHE 74.A N LYS 70.A O no hydrogen 3.117 N/A GLN 75.A N TYR 72.A O no hydrogen 2.836 N/A ILE 76.A N TYR 72.A O no hydrogen 3.211 N/A VAL 78.A N PHE 74.A O no hydrogen 3.318 N/A GLU 79.A N GLN 75.A O no hydrogen 2.849 N/A ASN 80.A N ILE 76.A O no hydrogen 2.981 N/A ILE 81.A N ALA 77.A O no hydrogen 2.979 N/A HIS 82.A N VAL 78.A O no hydrogen 2.894 N/A HIS 82.A NE2 ASP 174.A OD2 no hydrogen 2.766 N/A SER 83.A N GLU 79.A O no hydrogen 3.009 N/A GLU 84.A N ASN 80.A O no hydrogen 3.023 N/A THR 85.A N ILE 81.A O no hydrogen 3.209 N/A THR 85.A OG1 ILE 81.A O no hydrogen 2.980 N/A TYR 86.A N HIS 82.A O no hydrogen 3.189 N/A TYR 86.A N SER 83.A O no hydrogen 3.147 N/A SER 87.A N SER 83.A O no hydrogen 3.088 N/A LEU 88.A N GLU 84.A O no hydrogen 2.692 N/A LEU 89.A N THR 85.A O no hydrogen 2.919 N/A ILE 90.A N TYR 86.A O no hydrogen 2.605 N/A ASP 91.A N SER 87.A O no hydrogen 2.874 N/A ASN 92.A N LEU 88.A O no hydrogen 3.198 N/A ASN 92.A N LEU 89.A O no hydrogen 2.890 N/A TYR 93.A N LEU 89.A O no hydrogen 3.014 N/A TYR 93.A OH HIS 162.A NE2 no hydrogen 2.068 N/A ILE 94.A N ILE 90.A O no hydrogen 3.264 N/A GLU 99.A N ASP 96.A O no hydrogen 3.264 N/A ARG 100.A NE GLU 97.A OE1 no hydrogen 3.353 N/A ASN 102.A N LYS 98.A O no hydrogen 3.159 N/A PHE 104.A N LEU 101.A O no hydrogen 2.765 N/A HIS 105.A N LEU 101.A O no hydrogen 3.504 N/A ILE 107.A N PHE 104.A O no hydrogen 3.424 N/A ALA 112.A N SER 216.A OG no hydrogen 3.304 N/A ILE 113.A N ILE 110.A O no hydrogen 2.415 N/A ASN 115.A N PRO 111.A O no hydrogen 2.839 N/A ASN 115.A ND2 SER 211.A OG no hydrogen 2.716 N/A LYS 116.A N ALA 112.A O no hydrogen 2.838 N/A ALA 117.A N ILE 113.A O no hydrogen 2.850 N/A LEU 118.A N LYS 114.A O no hydrogen 3.139 N/A TRP 119.A N ASN 115.A O no hydrogen 3.117 N/A ALA 120.A N LYS 116.A O no hydrogen 3.236 N/A ALA 121.A N ALA 117.A O no hydrogen 2.793 N/A LYS 122.A N LEU 118.A O no hydrogen 3.132 N/A LYS 122.A N TRP 119.A O no hydrogen 3.153 N/A TRP 123.A N TRP 119.A O no hydrogen 3.087 N/A TRP 123.A NE1 GLU 204.A OE1 no hydrogen 3.015 N/A ASN 125.A ND2 GLU 53.A OE2 no hydrogen 3.455 N/A THR 127.A N ASP 126.A OD2 no hydrogen 3.089 N/A SER 129.A OG GLU 132.A OE2 no hydrogen 2.800 N/A ARG 133.A N SER 129.A O no hydrogen 3.371 N/A ARG 133.A NE GLU 62.A OE1 no hydrogen 3.164 N/A ILE 134.A N PHE 130.A O no hydrogen 3.128 N/A VAL 135.A N ALA 131.A O no hydrogen 3.275 N/A ALA 136.A N GLU 132.A O no hydrogen 2.869 N/A ASN 137.A N ARG 133.A O no hydrogen 2.632 N/A ALA 138.A N ILE 134.A O no hydrogen 2.719 N/A CYS 139.A N VAL 135.A O no hydrogen 3.092 N/A CYS 139.A N ALA 136.A O no hydrogen 3.219 N/A CYS 139.A SG VAL 135.A O no hydrogen 3.283 N/A VAL 140.A N ALA 136.A O no hydrogen 3.088 N/A VAL 140.A N ASN 137.A O no hydrogen 3.033 N/A GLU 141.A N ASN 137.A O no hydrogen 3.018 N/A GLY 142.A N CYS 139.A O no hydrogen 3.273 N/A ILE 143.A N CYS 139.A O no hydrogen 2.626 N/A LEU 144.A N CYS 139.A O no hydrogen 2.865 N/A PHE 145.A N GLU 209.A OE1 no hydrogen 3.068 N/A GLY 147.A N GLU 209.A OE2 no hydrogen 3.104 N/A PHE 149.A N PHE 145.A O no hydrogen 2.730 N/A CYS 150.A N SER 146.A O no hydrogen 3.197 N/A ALA 151.A N GLY 147.A O no hydrogen 3.016 N/A ILE 152.A N SER 148.A O no hydrogen 3.312 N/A ILE 152.A N PHE 149.A O no hydrogen 3.182 N/A PHE 153.A N PHE 149.A O no hydrogen 3.348 N/A TRP 154.A N CYS 150.A O no hydrogen 3.245 N/A PHE 155.A N ILE 152.A O no hydrogen 2.869 N/A LYS 156.A N ILE 152.A O no hydrogen 3.133 N/A LYS 157.A N PHE 153.A O no hydrogen 2.857 N/A GLN 158.A N PHE 155.A O no hydrogen 3.001 N/A GLN 158.A NE2 TRP 154.A O no hydrogen 3.186 N/A ASN 159.A N LYS 156.A O no hydrogen 3.227 N/A LYS 160.A N PHE 155.A O no hydrogen 3.310 N/A LYS 160.A NZ GLN 158.A OE1 no hydrogen 3.371 N/A LEU 161.A N ASP 30.A OD2 no hydrogen 3.032 N/A THR 165.A N LEU 161.A O no hydrogen 2.974 N/A SER 167.A N GLY 163.A O no hydrogen 3.108 N/A SER 167.A OG GLY 163.A O no hydrogen 2.744 N/A SER 167.A OG LEU 164.A O no hydrogen 3.226 N/A ASN 168.A N LEU 164.A O no hydrogen 3.234 N/A GLU 169.A N THR 165.A O no hydrogen 2.914 N/A LEU 170.A N PHE 166.A O no hydrogen 3.278 N/A LEU 170.A N SER 167.A O no hydrogen 2.543 N/A ILE 171.A N SER 167.A O no hydrogen 2.792 N/A SER 172.A N ASN 168.A O no hydrogen 2.971 N/A SER 172.A OG ASN 168.A O no hydrogen 2.630 N/A SER 172.A OG GLU 169.A O no hydrogen 3.485 N/A ARG 173.A N GLU 169.A O no hydrogen 3.081 N/A ARG 173.A NH2 SER 15.A O no hydrogen 3.251 N/A ARG 173.A NH2 ASP 174.A OD1 no hydrogen 2.226 N/A ASP 174.A N LEU 170.A O no hydrogen 2.936 N/A GLU 175.A N ILE 171.A O no hydrogen 2.761 N/A GLY 176.A N SER 172.A O no hydrogen 2.773 N/A GLY 176.A N ARG 173.A O no hydrogen 3.234 N/A LEU 177.A N ARG 173.A O no hydrogen 3.131 N/A HIS 178.A N ASP 174.A O no hydrogen 3.217 N/A HIS 178.A ND1 GLU 141.A OE2 no hydrogen 3.377 N/A THR 179.A N GLY 176.A O no hydrogen 2.990 N/A THR 179.A OG1 GLU 141.A O no hydrogen 2.471 N/A THR 179.A OG1 GLU 175.A O no hydrogen 2.216 N/A THR 179.A OG1 GLY 176.A O no hydrogen 2.998 N/A ASP 180.A N GLY 176.A O no hydrogen 3.183 N/A PHE 181.A N LEU 177.A O no hydrogen 3.043 N/A ASN 182.A N HIS 178.A O no hydrogen 3.117 N/A ASN 182.A ND2 THR 179.A O no hydrogen 3.393 N/A CYS 183.A N THR 179.A O no hydrogen 3.254 N/A CYS 183.A SG THR 179.A O no hydrogen 3.648 N/A LEU 184.A N ASP 180.A O no hydrogen 3.104 N/A ILE 185.A N PHE 181.A O no hydrogen 3.243 N/A TYR 186.A N ASN 182.A O no hydrogen 3.062 N/A SER 187.A N CYS 183.A O no hydrogen 2.822 N/A LEU 188.A N LEU 184.A O no hydrogen 2.951 N/A LEU 188.A N ILE 185.A O no hydrogen 3.266 N/A LEU 189.A N TYR 186.A O no hydrogen 2.972 N/A LYS 192.A NZ SER 187.A O no hydrogen 3.466 N/A LEU 193.A N TYR 186.A OH no hydrogen 2.857 N/A VAL 197.A N PRO 194.A O no hydrogen 2.744 N/A GLN 199.A N GLU 195.A O no hydrogen 3.106 N/A GLN 199.A NE2 SER 247.A O no hydrogen 2.962 N/A GLN 199.A NE2 LYS 248.A O no hydrogen 3.269 N/A ASN 200.A N VAL 197.A O no hydrogen 2.889 N/A ILE 201.A N VAL 197.A O no hydrogen 3.105 N/A VAL 202.A N VAL 198.A O no hydrogen 2.952 N/A LYS 203.A N GLN 199.A O no hydrogen 2.836 N/A GLU 204.A N ASN 200.A O no hydrogen 2.952 N/A ALA 205.A N ILE 201.A O no hydrogen 2.913 N/A VAL 206.A N VAL 202.A O no hydrogen 2.851 N/A GLU 207.A N LYS 203.A O no hydrogen 2.882 N/A VAL 208.A N GLU 204.A O no hydrogen 2.891 N/A GLU 209.A N ALA 205.A O no hydrogen 2.849 N/A ARG 210.A N VAL 206.A O no hydrogen 2.857 N/A ARG 210.A NH2 GLU 234.A OE1 no hydrogen 2.839 N/A SER 211.A N GLU 207.A O no hydrogen 3.396 N/A SER 211.A OG VAL 208.A O no hydrogen 2.550 N/A PHE 212.A N GLU 209.A O no hydrogen 2.925 N/A CYS 214.A N ARG 210.A O no hydrogen 2.998 N/A CYS 214.A SG SER 226.A O no hydrogen 3.531 N/A SER 216.A N SER 211.A O no hydrogen 2.951 N/A SER 216.A OG SER 211.A O no hydrogen 2.775 N/A LEU 217.A N PHE 212.A O no hydrogen 2.714 N/A CYS 219.A N ILE 213.A O no hydrogen 2.792 N/A CYS 219.A SG ILE 213.A O no hydrogen 3.751 N/A LEU 221.A N CYS 219.A O no hydrogen 2.313 N/A ILE 222.A N CYS 219.A O no hydrogen 2.907 N/A SER 226.A N ASP 220.A OD2 no hydrogen 2.732 N/A SER 226.A OG ASP 220.A OD2 no hydrogen 2.540 N/A LEU 228.A N ASN 225.A OD1 no hydrogen 2.428 N/A MET 229.A N ASN 225.A O no hydrogen 2.968 N/A SER 230.A N SER 226.A O no hydrogen 2.845 N/A GLN 231.A N ARG 227.A O no hydrogen 3.048 N/A GLN 231.A NE2 LYS 253.A O no hydrogen 2.768 N/A TYR 232.A N LEU 228.A O no hydrogen 3.019 N/A ILE 233.A N MET 229.A O no hydrogen 3.007 N/A GLU 234.A N SER 230.A O no hydrogen 3.487 N/A PHE 235.A N GLN 231.A O no hydrogen 3.097 N/A VAL 236.A N TYR 232.A O no hydrogen 2.784 N/A ALA 237.A N ILE 233.A O no hydrogen 2.609 N/A ASP 238.A N GLU 234.A O no hydrogen 2.740 N/A ARG 239.A N PHE 235.A O no hydrogen 2.932 N/A LEU 240.A N VAL 236.A O no hydrogen 2.932 N/A LEU 240.A N ALA 237.A O no hydrogen 2.894 N/A LEU 241.A N ALA 237.A O no hydrogen 2.868 N/A GLU 242.A N ASP 238.A O no hydrogen 3.052 N/A CYS 243.A N ARG 239.A O no hydrogen 3.051 N/A LEU 244.A N LEU 240.A O no hydrogen 2.843 N/A LEU 244.A N LEU 241.A O no hydrogen 3.181 N/A GLY 245.A N GLU 242.A O no hydrogen 2.872 N/A CYS 246.A N LEU 241.A O no hydrogen 2.654 N/A SER 247.A N GLU 195.A OE1 no hydrogen 3.268 N/A SER 247.A OG GLU 195.A OE2 no hydrogen 3.172 N/A VAL 249.A N ASP 238.A OD2 no hydrogen 3.327 N/A PHE 250.A N ASP 238.A OD2 no hydrogen 3.327 N/A SER 252.A OG ASP 238.A OD1 no hydrogen 3.460 N/A SER 252.A OG PHE 250.A O no hydrogen 3.141 N/A