Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3emq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 6.A OG LYS 35.A O no hydrogen 2.553 N/A LEU 7.A N HIS 36.A ND1 no hydrogen 3.356 N/A SER 8.A N HIS 36.A O no hydrogen 2.937 N/A ALA 9.A N SER 6.A OG no hydrogen 3.210 N/A SER 10.A N SER 6.A O no hydrogen 3.350 N/A SER 10.A N LEU 7.A O no hydrogen 3.303 N/A SER 10.A OG SER 6.A O no hydrogen 3.532 N/A SER 10.A OG LEU 7.A O no hydrogen 2.574 N/A TYR 11.A N SER 8.A O no hydrogen 3.266 N/A TYR 11.A OH ILE 327.A O no hydrogen 2.510 N/A ALA 12.A N ALA 9.A O no hydrogen 3.487 N/A ASN 13.A N ASP 331.A OXT no hydrogen 3.131 N/A SER 14.A N TYR 11.A O no hydrogen 2.635 N/A SER 14.A OG ASP 331.A O no hydrogen 2.795 N/A PHE 15.A N TYR 11.A O no hydrogen 2.880 N/A LYS 16.A N THR 285.A O no hydrogen 3.364 N/A GLY 18.A N VAL 287.A O no hydrogen 3.063 N/A ALA 19.A N SER 39.A O no hydrogen 3.200 N/A ALA 20.A N PHE 289.A O no hydrogen 2.909 N/A VAL 21.A N THR 41.A O no hydrogen 2.695 N/A THR 23.A N GLN 45.A OE1 no hydrogen 2.978 N/A ARG 24.A N HIS 22.A ND1 no hydrogen 2.932 N/A MET 25.A N HIS 22.A O no hydrogen 2.984 N/A GLU 29.A N MET 25.A O no hydrogen 2.911 N/A ILE 33.A N GLU 29.A O no hydrogen 3.159 N/A ALA 34.A N GLY 30.A O no hydrogen 2.955 N/A LYS 35.A N PHE 32.A O no hydrogen 3.342 N/A LYS 35.A NZ ILE 4.A O no hydrogen 3.150 N/A HIS 36.A N PHE 32.A O no hydrogen 3.327 N/A HIS 36.A N ILE 33.A O no hydrogen 3.279 N/A TYR 37.A N ILE 33.A O no hydrogen 3.088 N/A ASN 38.A N ILE 17.A O no hydrogen 3.123 N/A SER 39.A OG TYR 126.A OH no hydrogen 3.319 N/A VAL 40.A N GLY 76.A O no hydrogen 2.902 N/A THR 41.A N ALA 19.A O no hydrogen 2.834 N/A GLU 43.A N VAL 21.A O no hydrogen 3.149 N/A GLN 45.A NE2 THR 23.A OG1 no hydrogen 2.716 N/A MET 46.A N ASN 44.A O no hydrogen 2.513 N/A LYS 47.A N ASN 44.A O no hydrogen 2.923 N/A LYS 47.A NZ GLU 43.A O no hydrogen 2.950 N/A LYS 47.A NZ ASN 44.A OD1 no hydrogen 2.500 N/A LYS 47.A NZ GLN 87.A OE1 no hydrogen 3.089 N/A GLU 49.A N GLN 87.A O no hydrogen 3.216 N/A VAL 51.A N PHE 48.A O no hydrogen 3.190 N/A HIS 52.A N PHE 48.A O no hydrogen 2.813 N/A ARG 54.A NH2 GLU 57.A OE1 no hydrogen 2.629 N/A GLU 57.A N ARG 54.A O no hydrogen 3.337 N/A THR 59.A N VAL 51.A O no hydrogen 3.018 N/A THR 59.A OG1 GLU 50.A O no hydrogen 3.176 N/A ASP 64.A N PHE 60.A O no hydrogen 2.824 N/A GLU 65.A N GLU 61.A O no hydrogen 3.113 N/A ILE 66.A N ALA 62.A O no hydrogen 3.324 N/A VAL 67.A N ALA 63.A O no hydrogen 3.058 N/A ASP 68.A N ASP 64.A O no hydrogen 2.830 N/A PHE 69.A N GLU 65.A O no hydrogen 2.950 N/A ALA 70.A N ILE 66.A O no hydrogen 3.043 N/A VAL 71.A N VAL 67.A O no hydrogen 3.027 N/A ALA 72.A N ASP 68.A O no hydrogen 3.433 N/A ARG 73.A NH1 PHE 69.A O no hydrogen 2.645 N/A GLY 74.A N VAL 71.A O no hydrogen 3.475 N/A ILE 75.A N ALA 70.A O no hydrogen 2.855 N/A GLY 76.A N ASN 38.A O no hydrogen 3.066 N/A ARG 78.A N VAL 40.A O no hydrogen 3.210 N/A ARG 78.A NE HIS 237.A ND1 no hydrogen 3.418 N/A ARG 78.A NH1 ASP 129.A OD2 no hydrogen 3.068 N/A ARG 78.A NH2 ASP 129.A OD1 no hydrogen 2.918 N/A GLY 79.A N ALA 127.A O no hydrogen 2.673 N/A HIS 80.A ND1 ASP 129.A OD2 no hydrogen 3.182 N/A THR 81.A OG1 VAL 83.A O no hydrogen 3.454 N/A LEU 82.A N ASP 129.A O no hydrogen 3.142 N/A LEU 82.A N VAL 130.A O no hydrogen 3.127 N/A VAL 83.A N VAL 130.A O no hydrogen 2.765 N/A TRP 84.A NE1 GLU 133.A OE1 no hydrogen 3.096 N/A GLN 87.A NE2 GLU 49.A OE2 no hydrogen 3.271 N/A THR 88.A OG1 TRP 84.A O no hydrogen 3.016 N/A THR 88.A OG1 ASN 86.A O no hydrogen 3.358 N/A TRP 91.A NE1 PRO 53.A O no hydrogen 2.900 N/A PHE 93.A N ALA 90.A O no hydrogen 2.811 N/A GLU 94.A N ALA 90.A O no hydrogen 3.149 N/A GLU 94.A N TRP 91.A O no hydrogen 2.855 N/A ASP 95.A N GLY 99.A O no hydrogen 2.850 N/A SER 97.A OG ASP 95.A OD1 no hydrogen 3.072 N/A GLY 98.A N ASP 95.A O no hydrogen 3.195 N/A GLY 99.A N ASP 95.A OD1 no hydrogen 2.804 N/A ALA 101.A N PHE 93.A O no hydrogen 2.690 N/A ARG 103.A NH1 LEU 152.A O no hydrogen 2.621 N/A ARG 103.A NH1 ASP 155.A OD1 no hydrogen 3.075 N/A ARG 103.A NH2 ASP 155.A OD1 no hydrogen 3.171 N/A ARG 103.A NH2 ASP 155.A OD2 no hydrogen 2.948 N/A MET 105.A N SER 102.A OG no hydrogen 3.318 N/A MET 106.A N SER 102.A O no hydrogen 2.856 N/A LEU 107.A N ARG 103.A O no hydrogen 2.907 N/A SER 108.A N GLU 104.A O no hydrogen 3.003 N/A SER 108.A OG GLU 104.A O no hydrogen 3.121 N/A ARG 109.A N MET 105.A O no hydrogen 2.854 N/A ARG 109.A NH1 MET 92.A O no hydrogen 3.130 N/A ARG 109.A NH1 GLU 94.A O no hydrogen 2.706 N/A ARG 109.A NH2 GLU 94.A O no hydrogen 3.129 N/A LEU 110.A N MET 106.A O no hydrogen 2.945 N/A LYS 111.A N LEU 107.A O no hydrogen 2.960 N/A GLN 112.A N SER 108.A O no hydrogen 3.011 N/A HIS 113.A N ARG 109.A O no hydrogen 3.047 N/A ILE 114.A N LEU 110.A O no hydrogen 2.954 N/A ASP 115.A N LYS 111.A O no hydrogen 3.118 N/A THR 116.A N GLN 112.A O no hydrogen 3.257 N/A THR 116.A OG1 TYR 58.A OH no hydrogen 3.241 N/A THR 116.A OG1 GLN 112.A O no hydrogen 2.628 N/A VAL 117.A N HIS 113.A O no hydrogen 2.954 N/A VAL 118.A N ILE 114.A O no hydrogen 2.759 N/A GLY 119.A N ASP 115.A O no hydrogen 2.881 N/A ARG 120.A N THR 116.A O no hydrogen 3.180 N/A ARG 120.A NE ASP 64.A OD1 no hydrogen 3.015 N/A ARG 120.A NH2 ASP 64.A OD1 no hydrogen 3.429 N/A ARG 120.A NH2 ASP 64.A OD2 no hydrogen 2.464 N/A TYR 121.A OH ASP 64.A OD1 no hydrogen 3.022 N/A LYS 122.A N GLY 119.A O no hydrogen 3.191 N/A ASP 123.A N ASP 168.A OD2 no hydrogen 2.450 N/A GLN 124.A N TYR 121.A O no hydrogen 2.951 N/A ILE 125.A N TYR 121.A O no hydrogen 3.159 N/A TYR 126.A OH SER 39.A OG no hydrogen 3.319 N/A TYR 126.A OH SER 286.A OG no hydrogen 3.256 N/A TRP 128.A N LEU 172.A O no hydrogen 2.895 N/A ASP 129.A N GLY 79.A O no hydrogen 2.894 N/A ASN 132.A N VAL 83.A O no hydrogen 2.909 N/A GLU 133.A N ASN 176.A O no hydrogen 2.920 N/A ALA 134.A N TYR 175.A OH no hydrogen 2.756 N/A ILE 135.A N TYR 175.A OH no hydrogen 3.212 N/A GLU 136.A N ILE 142.A O no hydrogen 2.744 N/A LYS 138.A NZ ASP 140.A OD1 no hydrogen 2.650 N/A LYS 138.A NZ ASP 140.A OD2 no hydrogen 3.360 N/A LEU 141.A N LYS 138.A O no hydrogen 2.674 N/A ARG 144.A N ALA 134.A O no hydrogen 2.742 N/A ARG 144.A NE GLU 133.A O no hydrogen 3.024 N/A ARG 144.A NH2 TYR 178.A OH no hydrogen 2.887 N/A TRP 148.A NE1 TRP 84.A O no hydrogen 2.858 N/A ARG 150.A N THR 146.A O no hydrogen 2.774 N/A ARG 150.A NE ASP 145.A OD1 no hydrogen 3.076 N/A ARG 150.A NE ASP 145.A OD2 no hydrogen 3.412 N/A ARG 150.A NH2 ASP 145.A OD2 no hydrogen 2.958 N/A LEU 151.A N LYS 147.A O no hydrogen 2.843 N/A LEU 152.A N TRP 148.A O no hydrogen 3.216 N/A GLY 153.A N TRP 148.A O no hydrogen 3.355 N/A GLN 159.A N ASP 155.A O no hydrogen 3.265 N/A ALA 160.A N TYR 156.A O no hydrogen 3.085 N/A PHE 161.A N LEU 157.A O no hydrogen 2.864 N/A ASN 162.A N VAL 158.A O no hydrogen 2.788 N/A MET 163.A N GLN 159.A O no hydrogen 2.743 N/A ALA 164.A N ALA 160.A O no hydrogen 2.937 N/A HIS 165.A N PHE 161.A O no hydrogen 3.342 N/A GLU 166.A N MET 163.A O no hydrogen 3.027 N/A ALA 167.A N MET 163.A O no hydrogen 3.303 N/A ASP 168.A N ALA 164.A O no hydrogen 3.314 N/A ASN 170.A N ASP 168.A OD1 no hydrogen 2.908 N/A ASN 170.A ND2 ASP 123.A OD1 no hydrogen 3.505 N/A ALA 171.A N ASP 168.A O no hydrogen 3.155 N/A LEU 172.A N TYR 126.A O no hydrogen 2.937 N/A LEU 173.A N HIS 204.A ND1 no hydrogen 2.937 N/A PHE 174.A N TRP 128.A O no hydrogen 2.779 N/A TYR 175.A N GLY 205.A O no hydrogen 3.162 N/A TYR 175.A OH ASP 177.A OD2 no hydrogen 2.818 N/A ASN 176.A N VAL 131.A O no hydrogen 3.232 N/A ASN 176.A ND2 ASN 132.A OD1 no hydrogen 2.766 N/A ASN 176.A ND2 GLU 240.A OE2 no hydrogen 2.981 N/A ASP 177.A N GLY 207.A O no hydrogen 2.932 N/A TYR 178.A N ASP 177.A OD1 no hydrogen 2.787 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.558 N/A ASP 182.A N ASN 179.A O no hydrogen 2.933 N/A LYS 185.A N ASP 182.A OD1 no hydrogen 2.805 N/A LYS 185.A NZ ASP 137.A OD2 no hydrogen 3.424 N/A LYS 185.A NZ TYR 178.A O no hydrogen 2.732 N/A ARG 186.A N ASP 182.A O no hydrogen 2.570 N/A ARG 186.A NE GLU 187.A OE2 no hydrogen 2.835 N/A ARG 186.A NH2 GLU 187.A OE2 no hydrogen 2.738 N/A GLU 187.A N VAL 184.A O no hydrogen 3.247 N/A LYS 188.A N VAL 184.A O no hydrogen 3.407 N/A LYS 188.A NZ LYS 138.A O no hydrogen 3.146 N/A LYS 188.A NZ THR 139.A O no hydrogen 2.806 N/A LYS 188.A NZ LEU 141.A O no hydrogen 2.730 N/A ILE 189.A N LYS 185.A O no hydrogen 2.950 N/A TYR 190.A N ARG 186.A O no hydrogen 3.065 N/A ASN 191.A N GLU 187.A O no hydrogen 2.948 N/A LEU 192.A N LYS 188.A O no hydrogen 3.128 N/A VAL 193.A N ILE 189.A O no hydrogen 3.023 N/A ARG 194.A N TYR 190.A O no hydrogen 2.981 N/A SER 195.A N ASN 191.A O no hydrogen 2.709 N/A SER 195.A OG GLN 199.A OE1 no hydrogen 3.311 N/A LEU 196.A N LEU 192.A O no hydrogen 2.785 N/A LEU 197.A N VAL 193.A O no hydrogen 3.084 N/A ASP 198.A N ARG 194.A O no hydrogen 3.181 N/A GLN 199.A N SER 195.A O no hydrogen 2.928 N/A GLY 200.A N LEU 197.A O no hydrogen 3.134 N/A ALA 201.A N LEU 196.A O no hydrogen 3.024 N/A VAL 203.A N ALA 201.A O no hydrogen 2.972 N/A HIS 204.A N LEU 173.A O no hydrogen 2.758 N/A GLY 205.A N LEU 173.A O no hydrogen 3.399 N/A ILE 206.A N GLN 235.A O no hydrogen 3.019 N/A GLY 207.A N TYR 175.A O no hydrogen 2.702 N/A MET 208.A N HIS 237.A O no hydrogen 3.005 N/A GLN 209.A N ASP 177.A O no hydrogen 2.854 N/A GLN 209.A NE2 GLU 133.A OE2 no hydrogen 3.053 N/A GLY 210.A N GLU 180.A OE2 no hydrogen 2.945 N/A HIS 211.A ND1 ASP 242.A OD2 no hydrogen 2.890 N/A HIS 211.A NE2 GLU 240.A OE1 no hydrogen 2.705 N/A TRP 212.A N GLY 210.A O no hydrogen 2.845 N/A ASN 213.A N GLY 216.A O no hydrogen 3.263 N/A ILE 214.A N SER 244.A O no hydrogen 2.981 N/A HIS 215.A N ASN 213.A OD1 no hydrogen 2.809 N/A GLY 216.A N ASN 213.A OD1 no hydrogen 3.124 N/A GLU 221.A N SER 218.A OG no hydrogen 2.994 N/A ILE 222.A N SER 218.A O no hydrogen 3.106 N/A ARG 223.A N MET 219.A O no hydrogen 2.989 N/A ARG 223.A NH1 GLU 279.A OE2 no hydrogen 2.558 N/A ARG 223.A NH1 TYR 280.A OH no hydrogen 3.335 N/A ARG 223.A NH2 GLU 279.A OE1 no hydrogen 3.482 N/A GLN 224.A N ASP 220.A O no hydrogen 3.010 N/A GLN 224.A NE2 ASP 220.A O no hydrogen 3.627 N/A ALA 225.A N GLU 221.A O no hydrogen 3.368 N/A ILE 226.A N ILE 222.A O no hydrogen 2.953 N/A GLU 227.A N ARG 223.A O no hydrogen 3.094 N/A ARG 228.A N GLN 224.A O no hydrogen 2.872 N/A ARG 228.A NE GLU 187.A OE1 no hydrogen 3.192 N/A ARG 228.A NE GLU 187.A OE2 no hydrogen 3.010 N/A ARG 228.A NH2 GLU 187.A OE1 no hydrogen 2.714 N/A TYR 229.A N ALA 225.A O no hydrogen 2.905 N/A TYR 229.A OH GLU 180.A O no hydrogen 2.801 N/A ALA 230.A N ILE 226.A O no hydrogen 2.759 N/A SER 231.A N GLU 227.A O no hydrogen 3.126 N/A SER 231.A OG GLU 227.A O no hydrogen 3.006 N/A SER 231.A OG ARG 228.A O no hydrogen 2.386 N/A LEU 232.A N TYR 229.A O no hydrogen 2.991 N/A ASP 233.A N ALA 230.A O no hydrogen 3.208 N/A GLN 235.A N HIS 204.A O no hydrogen 3.084 N/A LEU 236.A N ASN 283.A O no hydrogen 3.185 N/A HIS 237.A N ILE 206.A O no hydrogen 3.436 N/A HIS 237.A NE2 THR 285.A OG1 no hydrogen 2.668 N/A VAL 238.A N SER 286.A O no hydrogen 2.794 N/A THR 239.A N MET 208.A O no hydrogen 2.905 N/A THR 239.A OG1 ASN 176.A OD1 no hydrogen 2.593 N/A GLU 240.A N GLN 209.A O no hydrogen 2.638 N/A LEU 241.A N THR 288.A O no hydrogen 2.813 N/A ASP 242.A N GLY 210.A O no hydrogen 3.310 N/A LEU 243.A N PRO 311.A O no hydrogen 2.995 N/A SER 244.A N TRP 212.A O no hydrogen 3.047 N/A SER 244.A OG PHE 246.A O no hydrogen 3.336 N/A VAL 245.A N ASN 309.A OD1 no hydrogen 3.429 N/A PHE 246.A N SER 244.A OG no hydrogen 3.304 N/A ARG 247.A N ASP 250.A OD2 no hydrogen 2.852 N/A ARG 252.A N ASP 250.A OD1 no hydrogen 3.112 N/A ARG 252.A NE ASP 250.A OD1 no hydrogen 2.712 N/A ARG 252.A NE ASP 250.A OD2 no hydrogen 3.254 N/A ARG 252.A NH2 ASP 250.A OD2 no hydrogen 2.636 N/A MET 262.A N THR 259.A OG1 no hydrogen 3.020 N/A ALA 263.A N THR 259.A O no hydrogen 3.010 N/A GLU 264.A N ALA 260.A O no hydrogen 3.080 N/A LEU 265.A N GLU 261.A O no hydrogen 2.942 N/A GLN 266.A N MET 262.A O no hydrogen 3.030 N/A GLN 266.A NE2 LEU 243.A O no hydrogen 3.179 N/A GLN 266.A NE2 TRP 310.A O no hydrogen 2.889 N/A GLN 267.A N ALA 263.A O no hydrogen 2.885 N/A LYS 268.A N GLU 264.A O no hydrogen 3.042 N/A LYS 268.A NZ ASP 272.A OD1 no hydrogen 3.138 N/A ARG 269.A N LEU 265.A O no hydrogen 2.690 N/A ARG 269.A NE ASN 213.A O no hydrogen 2.820 N/A ARG 269.A NH2 PRO 217.A O no hydrogen 2.437 N/A TYR 270.A N GLN 266.A O no hydrogen 2.774 N/A TYR 270.A OH PRO 311.A O no hydrogen 2.664 N/A GLU 271.A N GLN 267.A O no hydrogen 3.329 N/A ASP 272.A N LYS 268.A O no hydrogen 3.210 N/A ILE 273.A N ARG 269.A O no hydrogen 3.206 N/A PHE 274.A N TYR 270.A O no hydrogen 3.124 N/A GLY 275.A N GLU 271.A O no hydrogen 3.192 N/A LEU 276.A N ASP 272.A O no hydrogen 2.926 N/A LEU 276.A N ILE 273.A O no hydrogen 2.793 N/A PHE 277.A N ILE 273.A O no hydrogen 2.882 N/A ARG 278.A N PHE 274.A O no hydrogen 2.951 N/A ARG 278.A NH1 TYR 11.A OH no hydrogen 3.169 N/A GLU 279.A N GLY 275.A O no hydrogen 3.304 N/A TYR 280.A N LEU 276.A O no hydrogen 3.192 N/A TYR 280.A OH GLU 227.A OE2 no hydrogen 2.417 N/A ARG 281.A N ARG 278.A O no hydrogen 3.162 N/A ASN 283.A N TYR 280.A O no hydrogen 2.874 N/A ASN 283.A ND2 TYR 280.A O no hydrogen 3.632 N/A ILE 284.A N TYR 280.A O no hydrogen 3.146 N/A THR 285.A N LEU 236.A O no hydrogen 3.037 N/A THR 285.A OG1 GLN 235.A OE1 no hydrogen 3.141 N/A THR 285.A OG1 HIS 237.A NE2 no hydrogen 2.668 N/A SER 286.A OG TYR 126.A OH no hydrogen 3.256 N/A VAL 287.A N LYS 16.A O no hydrogen 2.982 N/A THR 288.A N VAL 238.A O no hydrogen 2.608 N/A PHE 289.A N GLY 18.A O no hydrogen 2.962 N/A TRP 290.A N LEU 241.A O no hydrogen 2.797 N/A GLY 291.A N PHE 289.A O no hydrogen 2.703 N/A ASP 294.A N PHE 314.A O no hydrogen 2.865 N/A TYR 296.A N ALA 293.A O no hydrogen 3.149 N/A TYR 296.A OH GLU 43.A OE1 no hydrogen 2.875 N/A LEU 299.A N THR 297.A OG1 no hydrogen 3.247 N/A ASP 300.A N THR 297.A O no hydrogen 2.865 N/A ASN 301.A N TRP 298.A O no hydrogen 3.078 N/A GLY 306.A N ASN 301.A OD1 no hydrogen 3.262 N/A ARG 307.A N VAL 304.A O no hydrogen 3.473 N/A LYS 308.A NZ ASP 294.A O no hydrogen 2.620 N/A LYS 308.A NZ ASP 300.A OD1 no hydrogen 3.316 N/A LYS 308.A NZ ASN 309.A O no hydrogen 2.666 N/A ASN 309.A N ASP 300.A OD1 no hydrogen 2.633 N/A ASN 309.A ND2 SER 244.A OG no hydrogen 3.094 N/A PHE 312.A N ASP 294.A OD1 no hydrogen 3.049 N/A ASP 315.A N GLN 319.A O no hydrogen 2.919 N/A GLU 317.A N ASP 315.A OD1 no hydrogen 2.694 N/A LEU 318.A N ASP 315.A O no hydrogen 3.010 N/A GLN 319.A N ASP 315.A OD1 no hydrogen 2.828 N/A LYS 321.A N VAL 313.A O no hydrogen 2.872 N/A LYS 321.A NZ GLN 266.A OE1 no hydrogen 3.154 N/A LYS 321.A NZ ASP 294.A OD2 no hydrogen 3.066 N/A LYS 321.A NZ PHE 312.A O no hydrogen 2.480 N/A PHE 324.A N LYS 321.A O no hydrogen 2.812 N/A ARG 326.A NE GLU 271.A OE1 no hydrogen 2.922 N/A ARG 326.A NH2 GLU 271.A OE2 no hydrogen 3.093 N/A ILE 327.A N PHE 324.A O no hydrogen 3.031 N/A GLY 329.A N SER 10.A OG no hydrogen 3.004 N/A