Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lms_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 6.A N ALA 3.A O no hydrogen 3.122 N/A GLU 7.A N SER 4.A O no hydrogen 3.037 N/A GLN 8.A N TYR 5.A O no hydrogen 3.400 N/A TYR 9.A OH LEU 282.A O no hydrogen 2.615 N/A HIS 10.A ND1 GLU 14.A OE2 no hydrogen 2.586 N/A HIS 10.A NE2 TYR 5.A O no hydrogen 2.604 N/A SER 11.A OG GLU 14.A OE1 no hydrogen 3.489 N/A GLU 14.A N SER 11.A OG no hydrogen 3.368 N/A ILE 15.A N SER 11.A O no hydrogen 2.966 N/A TYR 16.A N LEU 12.A O no hydrogen 2.926 N/A TYR 16.A OH PRO 43.A O no hydrogen 2.671 N/A SER 17.A N ASN 13.A O no hydrogen 3.089 N/A SER 17.A OG ASN 13.A O no hydrogen 3.056 N/A SER 17.A OG GLU 14.A O no hydrogen 3.233 N/A TRP 18.A N GLU 14.A O no hydrogen 2.807 N/A TRP 18.A NE1 TYR 6.A OH no hydrogen 3.005 N/A ILE 19.A N ILE 15.A O no hydrogen 2.889 N/A GLU 20.A N TYR 16.A O no hydrogen 3.346 N/A PHE 21.A N SER 17.A O no hydrogen 3.036 N/A ILE 22.A N TRP 18.A O no hydrogen 2.827 N/A THR 23.A N ILE 19.A O no hydrogen 3.120 N/A GLU 24.A N GLU 20.A O no hydrogen 2.959 N/A ARG 25.A N PHE 21.A O no hydrogen 2.868 N/A HIS 26.A N ILE 22.A O no hydrogen 3.171 N/A MET 29.A N HIS 26.A O no hydrogen 3.073 N/A LEU 30.A N HIS 26.A O no hydrogen 3.016 N/A THR 31.A N LYS 48.A O no hydrogen 3.053 N/A LYS 32.A NZ GLU 20.A OE1 no hydrogen 3.127 N/A LYS 32.A NZ GLU 20.A OE2 no hydrogen 2.765 N/A ILE 33.A N VAL 46.A O no hydrogen 2.770 N/A ILE 35.A N LEU 44.A O no hydrogen 2.893 N/A SER 38.A N TYR 42.A O no hydrogen 2.735 N/A SER 38.A OG ASP 112.A OD1 no hydrogen 2.537 N/A SER 38.A OG ASP 112.A OD2 no hydrogen 3.201 N/A PHE 39.A N GLU 174.A OE2 no hydrogen 3.175 N/A GLU 40.A N ASP 112.A OD2 no hydrogen 2.886 N/A LYS 41.A N SER 38.A O no hydrogen 2.827 N/A TYR 42.A N SER 38.A OG no hydrogen 3.035 N/A LEU 44.A N GLY 36.A O no hydrogen 2.987 N/A VAL 46.A N ILE 33.A O no hydrogen 2.855 N/A LEU 47.A N VAL 105.A O no hydrogen 2.761 N/A LYS 48.A N THR 31.A O no hydrogen 2.952 N/A LYS 48.A NZ SER 50.A OG no hydrogen 3.117 N/A VAL 49.A N PHE 103.A O no hydrogen 2.791 N/A SER 50.A N MET 29.A O no hydrogen 2.830 N/A SER 50.A OG ASP 102.A OD1 no hydrogen 2.698 N/A LYS 52.A N TYR 88.A OH no hydrogen 3.249 N/A GLU 53.A N GLU 53.A OE2 no hydrogen 2.892 N/A LYS 57.A NZ GLU 53.A O no hydrogen 2.709 N/A LYS 57.A NZ LEU 98.A O no hydrogen 3.356 N/A ALA 59.A N GLN 188.A O no hydrogen 2.885 N/A ILE 60.A N ASP 102.A O no hydrogen 2.871 N/A TRP 61.A N ALA 191.A O no hydrogen 2.878 N/A TRP 61.A NE1 ASP 63.A OD2 no hydrogen 2.918 N/A ILE 62.A N TYR 104.A O no hydrogen 2.820 N/A ASP 63.A N ILE 193.A O no hydrogen 2.950 N/A CYS 64.A N MET 106.A O no hydrogen 2.865 N/A CYS 64.A SG SER 73.A O no hydrogen 3.114 N/A GLY 65.A N SER 73.A OG no hydrogen 2.926 N/A HIS 67.A NE2 ASP 140.A OD1 no hydrogen 2.794 N/A ALA 68.A N ARG 125.A O no hydrogen 3.220 N/A ARG 69.A NH1 MET 123.A O no hydrogen 3.157 N/A GLU 70.A N HIS 67.A O no hydrogen 3.274 N/A TRP 71.A NE1 SER 117.A OG no hydrogen 2.893 N/A SER 73.A N GLU 70.A O no hydrogen 2.906 N/A SER 73.A OG MET 195.A O no hydrogen 2.687 N/A ALA 75.A N TRP 71.A O no hydrogen 3.299 N/A PHE 76.A N ILE 72.A O no hydrogen 3.023 N/A CYS 77.A N SER 73.A O no hydrogen 3.266 N/A CYS 77.A SG MET 106.A O no hydrogen 3.710 N/A LEU 78.A N PRO 74.A O no hydrogen 3.038 N/A TRP 79.A N ALA 75.A O no hydrogen 3.057 N/A PHE 80.A N PHE 76.A O no hydrogen 2.650 N/A ILE 81.A N CYS 77.A O no hydrogen 3.177 N/A GLY 82.A N LEU 78.A O no hydrogen 2.886 N/A HIS 83.A N TRP 79.A O no hydrogen 2.772 N/A ILE 84.A N PHE 80.A O no hydrogen 3.000 N/A THR 85.A N ILE 81.A O no hydrogen 3.181 N/A THR 85.A OG1 ILE 81.A O no hydrogen 2.480 N/A THR 85.A OG1 GLY 82.A O no hydrogen 2.977 N/A GLN 86.A N GLY 82.A O no hydrogen 2.884 N/A GLN 86.A NE2 SER 2.A O no hydrogen 3.585 N/A PHE 87.A N HIS 83.A O no hydrogen 3.247 N/A TYR 88.A N THR 85.A O no hydrogen 3.493 N/A GLY 89.A N THR 95.A OG1 no hydrogen 3.004 N/A ILE 90.A N PHE 87.A O no hydrogen 3.330 N/A ILE 91.A N PHE 87.A O no hydrogen 3.086 N/A TYR 94.A N ILE 91.A O no hydrogen 3.149 N/A TYR 94.A OH HIS 83.A NE2 no hydrogen 3.241 N/A THR 95.A OG1 ILE 91.A O no hydrogen 3.522 N/A ASN 96.A N GLY 92.A O no hydrogen 2.953 N/A LEU 97.A N GLN 93.A O no hydrogen 2.909 N/A LEU 98.A N TYR 94.A O no hydrogen 3.122 N/A ARG 99.A N THR 95.A O no hydrogen 2.952 N/A ARG 99.A NH1 GLU 53.A OE1 no hydrogen 3.128 N/A LEU 100.A N LEU 97.A O no hydrogen 3.110 N/A ASP 102.A N ASN 58.A O no hydrogen 2.895 N/A PHE 103.A N VAL 49.A O no hydrogen 2.925 N/A TYR 104.A N ILE 60.A O no hydrogen 2.969 N/A VAL 105.A N LEU 47.A O no hydrogen 2.862 N/A MET 106.A N ILE 62.A O no hydrogen 2.829 N/A VAL 109.A N CYS 64.A O no hydrogen 2.904 N/A ASN 110.A N GLY 65.A O no hydrogen 2.813 N/A ASN 110.A ND2 ILE 66.A O no hydrogen 3.495 N/A ASN 110.A ND2 ARG 125.A O no hydrogen 3.591 N/A ASN 110.A ND2 LYS 126.A O no hydrogen 2.728 N/A GLY 113.A N ASN 110.A OD1 no hydrogen 2.971 N/A TYR 114.A N ASN 110.A O no hydrogen 2.935 N/A TYR 114.A OH HIS 10.A O no hydrogen 2.585 N/A ASP 115.A N VAL 111.A O no hydrogen 3.047 N/A TYR 116.A N ASP 112.A O no hydrogen 2.965 N/A SER 117.A N GLY 113.A O no hydrogen 2.842 N/A SER 117.A OG TYR 114.A O no hydrogen 2.549 N/A TRP 118.A N TYR 114.A O no hydrogen 3.283 N/A TRP 118.A N ASP 115.A O no hydrogen 3.072 N/A LYS 119.A N ASP 115.A O no hydrogen 3.148 N/A LYS 119.A NZ ASP 115.A OD1 no hydrogen 3.401 N/A LYS 119.A NZ ASP 115.A OD2 no hydrogen 2.630 N/A LYS 120.A N TYR 116.A O no hydrogen 2.984 N/A ASN 121.A N TYR 116.A O no hydrogen 3.077 N/A ARG 122.A NH1 ARG 69.A O no hydrogen 2.888 N/A ARG 122.A NH1 ARG 122.A O no hydrogen 2.953 N/A ARG 122.A NH2 PHE 280.A O no hydrogen 2.870 N/A MET 123.A N ASN 121.A OD1 no hydrogen 3.207 N/A TRP 124.A N ASN 121.A O no hydrogen 2.931 N/A TRP 124.A NE1 ASN 127.A O no hydrogen 2.953 N/A ARG 125.A NE ASP 140.A OD2 no hydrogen 3.173 N/A ARG 125.A NE GLU 162.A O no hydrogen 3.305 N/A ARG 125.A NH2 ASP 140.A OD2 no hydrogen 2.713 N/A LYS 126.A NZ GLY 138.A O no hydrogen 2.857 N/A LYS 126.A NZ SER 161.A O no hydrogen 2.994 N/A ASN 127.A N THR 139.A O no hydrogen 2.826 N/A ASN 127.A ND2 GLU 172.A OE1 no hydrogen 2.703 N/A ASN 127.A ND2 GLU 174.A OE1 no hydrogen 3.133 N/A SER 129.A N ASN 127.A OD1 no hydrogen 3.214 N/A SER 129.A OG ASN 127.A OD1 no hydrogen 3.252 N/A SER 129.A OG GLU 172.A OE1 no hydrogen 2.549 N/A TYR 131.A OH SER 171.A O no hydrogen 3.286 N/A TYR 131.A OH GLU 172.A OE2 no hydrogen 2.520 N/A ASN 134.A N TYR 131.A O no hydrogen 2.902 N/A ASN 134.A ND2 TYR 164.A OH no hydrogen 3.087 N/A CYS 136.A N SER 159.A OG no hydrogen 3.181 N/A GLY 138.A N SER 129.A O no hydrogen 2.849 N/A THR 139.A N ASN 127.A OD1 no hydrogen 2.725 N/A THR 139.A OG1 GLU 172.A OE2 no hydrogen 2.698 N/A ASP 140.A N TYR 164.A O no hydrogen 2.895 N/A ASN 142.A N ASP 140.A OD1 no hydrogen 3.048 N/A ARG 143.A N ASP 140.A O no hydrogen 2.805 N/A ARG 143.A NE GLY 154.A O no hydrogen 3.076 N/A ARG 143.A NH1 ASN 142.A O no hydrogen 3.260 N/A ASN 144.A N LEU 141.A O no hydrogen 3.127 N/A ASN 144.A ND2 CYS 165.A O no hydrogen 2.736 N/A ASN 144.A ND2 TYR 168.A O no hydrogen 3.159 N/A ASN 144.A ND2 SER 171.A OG no hydrogen 3.095 N/A PHE 145.A N GLY 253.A O no hydrogen 2.863 N/A SER 147.A OG LYS 148.A O no hydrogen 2.809 N/A HIS 149.A ND1 GLU 152.A OE1 no hydrogen 2.658 N/A GLU 152.A N HIS 149.A O no hydrogen 3.203 N/A ALA 155.A N GLU 152.A O no hydrogen 3.105 N/A SER 156.A N THR 163.A O no hydrogen 2.939 N/A SER 156.A OG SER 161.A OG no hydrogen 2.870 N/A SER 158.A N SER 156.A OG no hydrogen 3.164 N/A SER 161.A N SER 158.A O no hydrogen 3.003 N/A SER 161.A OG SER 158.A O no hydrogen 3.375 N/A TYR 164.A N SER 161.A O no hydrogen 3.173 N/A CYS 165.A N SER 156.A O no hydrogen 3.054 N/A CYS 165.A SG SER 156.A O no hydrogen 3.467 N/A CYS 165.A SG GLY 166.A O no hydrogen 3.640 N/A LEU 167.A N SER 171.A OG no hydrogen 3.190 N/A GLU 170.A N ASN 144.A O no hydrogen 2.790 N/A SER 171.A N TYR 168.A O no hydrogen 2.996 N/A SER 171.A OG TYR 168.A O no hydrogen 2.903 N/A SER 171.A OG GLU 172.A OE2 no hydrogen 3.034 N/A GLU 172.A N ASN 144.A OD1 no hydrogen 3.114 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.755 N/A LYS 176.A N GLU 172.A O no hydrogen 2.916 N/A LYS 176.A NZ GLU 170.A OE1 no hydrogen 2.913 N/A ALA 177.A N PRO 173.A O no hydrogen 2.969 N/A VAL 178.A N GLU 174.A O no hydrogen 3.201 N/A ALA 179.A N VAL 175.A O no hydrogen 2.749 N/A SER 180.A N LYS 176.A O no hydrogen 2.930 N/A SER 180.A OG LYS 176.A O no hydrogen 2.631 N/A PHE 181.A N ALA 177.A O no hydrogen 3.026 N/A LEU 182.A N VAL 178.A O no hydrogen 3.042 N/A ARG 183.A N ALA 179.A O no hydrogen 3.053 N/A ARG 183.A NH1 GLU 170.A OE1 no hydrogen 3.517 N/A ARG 183.A NH1 GLU 170.A OE2 no hydrogen 2.768 N/A ARG 183.A NH2 GLU 170.A OE1 no hydrogen 2.953 N/A ARG 183.A NH2 SER 180.A OG no hydrogen 2.965 N/A ARG 184.A N SER 180.A O no hydrogen 2.976 N/A ASN 185.A N PHE 181.A O no hydrogen 3.093 N/A ASN 185.A N LEU 182.A O no hydrogen 3.270 N/A ASN 185.A ND2 PHE 181.A O no hydrogen 2.978 N/A GLN 188.A N ASN 185.A O no hydrogen 3.182 N/A ILE 189.A N ASN 185.A O no hydrogen 3.007 N/A LYS 190.A N ALA 59.A O no hydrogen 3.002 N/A LYS 190.A NZ ASN 187.A O no hydrogen 3.154 N/A TYR 192.A N TYR 266.A O no hydrogen 2.835 N/A ILE 193.A N TRP 61.A O no hydrogen 2.788 N/A SER 194.A N PHE 268.A O no hydrogen 2.901 N/A SER 194.A OG ASP 63.A OD1 no hydrogen 2.636 N/A SER 194.A OG HIS 196.A NE2 no hydrogen 2.865 N/A MET 195.A N ASP 63.A O no hydrogen 2.861 N/A HIS 196.A N ILE 270.A O no hydrogen 2.809 N/A HIS 196.A NE2 SER 194.A OG no hydrogen 2.865 N/A SER 197.A N GLU 70.A OE1 no hydrogen 3.334 N/A SER 199.A N LEU 272.A O no hydrogen 3.093 N/A SER 199.A OG TYR 198.A O no hydrogen 2.694 N/A GLN 200.A N LEU 272.A O no hydrogen 3.199 N/A GLN 200.A NE2 ARG 238.A O no hydrogen 2.939 N/A HIS 201.A N GLU 271.A O no hydrogen 2.974 N/A HIS 201.A ND1 THR 240.A OG1 no hydrogen 2.570 N/A HIS 201.A NE2 THR 247.A OG1 no hydrogen 2.742 N/A ILE 202.A N THR 240.A O no hydrogen 2.802 N/A VAL 203.A N THR 269.A O no hydrogen 2.800 N/A TYR 206.A OH ASP 261.A OD1 no hydrogen 2.511 N/A SER 207.A N ASP 257.A OD1 no hydrogen 3.318 N/A SER 207.A N ASP 257.A OD2 no hydrogen 2.592 N/A TYR 208.A N ASP 257.A OD2 no hydrogen 2.871 N/A TYR 208.A OH ASP 261.A OD2 no hydrogen 2.466 N/A ARG 210.A NH1 SER 245.A O no hydrogen 3.400 N/A SER 211.A N THR 209.A OG1 no hydrogen 3.116 N/A SER 213.A OG PRO 205.A O no hydrogen 3.253 N/A ASP 215.A N TYR 260.A OH no hydrogen 3.153 N/A HIS 216.A N SER 213.A O no hydrogen 3.209 N/A LEU 219.A N ASP 215.A O no hydrogen 2.970 N/A SER 220.A N HIS 216.A O no hydrogen 2.890 N/A LEU 221.A N GLU 217.A O no hydrogen 3.215 N/A VAL 222.A N GLU 218.A O no hydrogen 3.049 N/A ALA 223.A N LEU 219.A O no hydrogen 2.839 N/A SER 224.A N SER 220.A O no hydrogen 3.057 N/A SER 224.A OG SER 220.A O no hydrogen 3.447 N/A SER 224.A OG LEU 221.A O no hydrogen 2.973 N/A GLU 225.A N LEU 221.A O no hydrogen 3.003 N/A ALA 226.A N VAL 222.A O no hydrogen 2.850 N/A VAL 227.A N ALA 223.A O no hydrogen 2.839 N/A ARG 228.A N SER 224.A O no hydrogen 2.852 N/A ALA 229.A N GLU 225.A O no hydrogen 2.847 N/A ILE 230.A N ALA 226.A O no hydrogen 3.026 N/A GLU 231.A N VAL 227.A O no hydrogen 2.911 N/A LYS 232.A N ARG 228.A O no hydrogen 3.169 N/A LYS 232.A N ALA 229.A O no hydrogen 3.288 N/A THR 233.A N ALA 229.A O no hydrogen 3.303 N/A THR 233.A N ILE 230.A O no hydrogen 3.089 N/A THR 233.A OG1 ALA 229.A O no hydrogen 2.829 N/A SER 234.A N ILE 230.A O no hydrogen 3.107 N/A SER 234.A OG GLU 293.A OE1 no hydrogen 2.603 N/A LYS 235.A NZ THR 233.A O no hydrogen 3.523 N/A TYR 239.A N GLU 231.A OE2 no hydrogen 3.397 N/A TYR 239.A OH GLU 293.A OE2 no hydrogen 2.981 N/A THR 240.A N GLN 200.A O no hydrogen 3.027 N/A THR 240.A OG1 HIS 201.A ND1 no hydrogen 2.570 N/A GLY 242.A N ILE 202.A O no hydrogen 3.139 N/A GLY 244.A N PHE 204.A O no hydrogen 2.923 N/A SER 245.A N TYR 206.A O no hydrogen 3.042 N/A SER 245.A OG TYR 206.A O no hydrogen 3.021 N/A SER 245.A OG THR 209.A O no hydrogen 2.823 N/A GLU 246.A N HIS 243.A O no hydrogen 3.328 N/A THR 247.A N HIS 243.A O no hydrogen 3.078 N/A THR 247.A OG1 HIS 201.A NE2 no hydrogen 2.742 N/A THR 247.A OG1 HIS 243.A O no hydrogen 3.003 N/A LEU 248.A N GLY 244.A O no hydrogen 2.786 N/A TYR 249.A N GLY 244.A O no hydrogen 3.109 N/A ALA 251.A N SER 207.A O no hydrogen 2.938 N/A GLY 253.A N SER 147.A OG no hydrogen 2.917 N/A GLY 255.A N ASN 142.A OD1 no hydrogen 3.358 N/A ASP 257.A N ASP 256.A OD1 no hydrogen 2.771 N/A TRP 258.A N GLY 254.A O no hydrogen 3.005 N/A ILE 259.A N GLY 255.A O no hydrogen 3.006 N/A TYR 260.A N ASP 256.A O no hydrogen 3.049 N/A TYR 260.A OH ASP 215.A OD2 no hydrogen 2.578 N/A ASP 261.A N ASP 257.A O no hydrogen 3.024 N/A LEU 262.A N TRP 258.A O no hydrogen 3.169 N/A GLY 263.A N TYR 260.A O no hydrogen 2.827 N/A ILE 264.A N ILE 259.A O no hydrogen 3.136 N/A LYS 265.A NZ GLU 218.A OE1 no hydrogen 2.885 N/A LYS 265.A NZ TYR 266.A OH no hydrogen 3.237 N/A TYR 266.A OH GLU 218.A OE2 no hydrogen 2.475 N/A SER 267.A OG ASP 256.A O no hydrogen 2.835 N/A PHE 268.A N TYR 192.A O no hydrogen 2.719 N/A THR 269.A N VAL 203.A O no hydrogen 2.898 N/A THR 269.A OG1 ASP 256.A OD2 no hydrogen 2.828 N/A ILE 270.A N SER 194.A O no hydrogen 2.959 N/A GLU 271.A N HIS 201.A O no hydrogen 2.689 N/A LEU 272.A N HIS 196.A O no hydrogen 2.753 N/A ARG 273.A NE GLU 293.A OE2 no hydrogen 2.721 N/A ARG 273.A NH2 GLU 293.A OE1 no hydrogen 2.913 N/A GLY 276.A N ASP 274.A OD1 no hydrogen 2.860 N/A TYR 278.A N ASP 274.A OD2 no hydrogen 2.753 N/A GLY 279.A N ASP 274.A OD1 no hydrogen 2.815 N/A LEU 281.A N TYR 278.A O no hydrogen 3.152 N/A TYR 286.A N PRO 283.A O no hydrogen 2.912 N/A ILE 287.A N GLU 284.A O no hydrogen 3.072 N/A THR 290.A N TYR 286.A O no hydrogen 3.254 N/A THR 290.A OG1 TYR 286.A O no hydrogen 2.780 N/A CYS 291.A N ILE 287.A O no hydrogen 2.856 N/A CYS 291.A SG ILE 287.A O no hydrogen 3.183 N/A ARG 292.A N LYS 288.A O no hydrogen 2.886 N/A GLU 293.A N PRO 289.A O no hydrogen 3.110 N/A ALA 294.A N THR 290.A O no hydrogen 3.090 N/A PHE 295.A N CYS 291.A O no hydrogen 2.813 N/A ALA 296.A N ARG 292.A O no hydrogen 3.088 N/A ALA 297.A N GLU 293.A O no hydrogen 2.890 N/A VAL 298.A N ALA 294.A O no hydrogen 2.828 N/A SER 299.A N PHE 295.A O no hydrogen 3.023 N/A SER 299.A OG PHE 295.A O no hydrogen 2.842 N/A LYS 300.A N ALA 296.A O no hydrogen 3.077 N/A ILE 301.A N ALA 297.A O no hydrogen 3.107 N/A ALA 302.A N VAL 298.A O no hydrogen 2.819 N/A TRP 303.A N SER 299.A O no hydrogen 2.942 N/A HIS 304.A N LYS 300.A O no hydrogen 3.062 N/A HIS 304.A NE2 GLU 218.A OE2 no hydrogen 3.073 N/A VAL 305.A N ILE 301.A O no hydrogen 2.936 N/A ILE 306.A N ALA 302.A O no hydrogen 2.913 N/A ARG 307.A N TRP 303.A O no hydrogen 3.033 N/A ASN 308.A N HIS 304.A O no hydrogen 2.922 N/A ASN 308.A N VAL 305.A O no hydrogen 3.142 N/A ASN 308.A ND2 HIS 304.A O no hydrogen 3.068 N/A VAL 309.A N VAL 305.A O no hydrogen 2.896 N/A