Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1w3a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 10.A N GLU 147.A OE2 no hydrogen 2.973 N/A PHE 11.A N PHE 46.A O no hydrogen 2.908 N/A ARG 12.A N LEU 145.A O no hydrogen 2.925 N/A ARG 12.A NE LEU 145.A O no hydrogen 2.948 N/A ARG 12.A NH1 ASP 39.A OD1 no hydrogen 2.995 N/A ARG 12.A NH2 LEU 145.A O no hydrogen 3.478 N/A ARG 12.A NH2 PHE 146.A O no hydrogen 3.127 N/A LEU 14.A N THR 143.A O no hydrogen 3.117 N/A GLY 15.A N GLN 20.A O no hydrogen 3.010 N/A PHE 16.A N TYR 141.A O no hydrogen 3.005 N/A SER 18.A OG GLN 20.A O no hydrogen 3.259 N/A SER 18.A OG SER 120.A OG no hydrogen 2.704 N/A ARG 19.A N GLY 15.A O no hydrogen 3.021 N/A GLN 20.A N SER 18.A OG no hydrogen 3.075 N/A VAL 21.A N SER 35.A O no hydrogen 2.935 N/A ILE 22.A N LEU 13.A O no hydrogen 3.364 N/A PHE 23.A N GLY 33.A O no hydrogen 2.986 N/A ALA 24.A N ASP 43.A O no hydrogen 3.020 N/A ARG 25.A N ASP 31.A O no hydrogen 2.996 N/A ARG 25.A NE PRO 30.A O no hydrogen 3.259 N/A ARG 25.A NH2 PRO 30.A O no hydrogen 3.048 N/A GLY 33.A N PHE 23.A O no hydrogen 3.435 N/A SER 35.A N VAL 21.A O no hydrogen 2.921 N/A SER 35.A OG PRO 36.A O no hydrogen 2.631 N/A ASN 38.A N GLN 44.A OE1 no hydrogen 2.908 N/A ALA 41.A N ASN 38.A O no hydrogen 3.171 N/A GLN 44.A N ALA 41.A O no hydrogen 3.019 N/A GLN 44.A NE2 PRO 36.A O no hydrogen 3.029 N/A TYR 45.A N THR 42.A O no hydrogen 2.958 N/A TYR 45.A OH ASP 39.A O no hydrogen 2.517 N/A PHE 46.A N PHE 11.A O no hydrogen 2.906 N/A SER 47.A N LYS 62.A O no hydrogen 3.175 N/A ILE 49.A N ALA 60.A O no hydrogen 2.863 N/A TYR 50.A N GLU 7.A OE2 no hydrogen 2.852 N/A TYR 50.A OH PRO 5.A O no hydrogen 2.729 N/A GLY 51.A N LEU 58.A O no hydrogen 2.861 N/A HIS 55.A N THR 52.A O no hydrogen 2.969 N/A ALA 56.A N GLY 53.A O no hydrogen 3.320 N/A LEU 58.A N HIS 55.A O no hydrogen 3.041 N/A TYR 59.A N PHE 94.A O no hydrogen 2.982 N/A ALA 60.A N ILE 49.A O no hydrogen 3.020 N/A LYS 62.A N SER 47.A O no hydrogen 2.983 N/A LYS 62.A NZ ASP 86.A OD1 no hydrogen 3.342 N/A SER 63.A N LYS 68.A O no hydrogen 2.803 N/A SER 63.A OG ALA 24.A O no hydrogen 3.237 N/A LYS 64.A N TYR 45.A O no hydrogen 3.022 N/A THR 66.A N SER 63.A OG no hydrogen 3.110 N/A THR 66.A OG1 ASN 26.A OD1 no hydrogen 3.161 N/A GLY 67.A N SER 63.A O no hydrogen 2.826 N/A VAL 69.A N ILE 83.A O no hydrogen 2.885 N/A LEU 70.A N ILE 61.A O no hydrogen 3.021 N/A PHE 71.A N GLY 81.A O no hydrogen 3.040 N/A SER 72.A N ASP 91.A O no hydrogen 3.167 N/A ARG 73.A N TYR 79.A O no hydrogen 2.839 N/A ARG 73.A NE ALA 76.A O no hydrogen 3.075 N/A ARG 74.A NE ASN 130.A OD1 no hydrogen 3.250 N/A ARG 74.A NH2 ASN 130.A OD1 no hydrogen 3.090 N/A GLY 81.A N PHE 71.A O no hydrogen 3.393 N/A ILE 83.A N VAL 69.A O no hydrogen 2.991 N/A ARG 88.A N GLY 85.A O no hydrogen 3.255 N/A ASN 92.A N TYR 89.A O no hydrogen 3.265 N/A TRP 93.A NE1 GLY 87.A O no hydrogen 2.961 N/A PHE 94.A N TYR 59.A O no hydrogen 2.835 N/A LYS 95.A N VAL 110.A O no hydrogen 2.686 N/A GLU 97.A N ARG 108.A O no hydrogen 3.108 N/A GLY 99.A N TYR 106.A O no hydrogen 2.913 N/A TYR 102.A OH ASP 138.A OD1 no hydrogen 3.300 N/A TYR 102.A OH ASP 138.A OD2 no hydrogen 2.857 N/A LEU 103.A N LYS 100.A O no hydrogen 2.976 N/A SER 104.A N THR 101.A O no hydrogen 3.323 N/A SER 104.A OG THR 101.A O no hydrogen 2.790 N/A TYR 106.A N LEU 103.A O no hydrogen 3.023 N/A PHE 107.A N PHE 142.A O no hydrogen 2.830 N/A ARG 108.A N GLU 97.A O no hydrogen 2.886 N/A ARG 108.A NH1 GLN 133.A O no hydrogen 3.050 N/A ARG 108.A NH1 GLN 140.A OE1 no hydrogen 3.024 N/A ARG 108.A NH2 GLU 97.A OE1 no hydrogen 3.004 N/A VAL 110.A N LYS 95.A O no hydrogen 3.067 N/A GLN 111.A N THR 116.A O no hydrogen 2.866 N/A GLN 111.A NE2 TRP 93.A O no hydrogen 2.538 N/A SER 113.A OG GLN 111.A OE1 no hydrogen 2.604 N/A THR 114.A N GLN 111.A O no hydrogen 3.352 N/A THR 114.A N GLN 111.A OE1 no hydrogen 2.872 N/A THR 114.A OG1 SER 72.A O no hydrogen 3.259 N/A THR 114.A OG1 GLN 111.A O no hydrogen 3.275 N/A THR 114.A OG1 GLN 111.A OE1 no hydrogen 2.841 N/A GLY 115.A N GLN 111.A O no hydrogen 3.104 N/A GLY 115.A N PRO 112.A O no hydrogen 3.042 N/A THR 116.A N GLN 111.A O no hydrogen 3.399 N/A ALA 117.A N HIS 131.A O no hydrogen 2.751 N/A LEU 118.A N LEU 109.A O no hydrogen 3.092 N/A VAL 119.A N TRP 129.A O no hydrogen 3.039 N/A SER 120.A N ASP 139.A O no hydrogen 2.719 N/A SER 120.A OG SER 18.A OG no hydrogen 2.704 N/A ARG 121.A N TYR 127.A O no hydrogen 3.179 N/A ARG 121.A NE LEU 124.A O no hydrogen 3.189 N/A ARG 121.A NE PRO 126.A O no hydrogen 3.259 N/A ARG 121.A NH2 PRO 126.A O no hydrogen 3.013 N/A TRP 129.A N VAL 119.A O no hydrogen 3.225 N/A ASN 130.A ND2 SER 72.A OG no hydrogen 2.678 N/A ASN 130.A ND2 ARG 73.A O no hydrogen 3.138 N/A HIS 131.A N ALA 117.A O no hydrogen 2.880 N/A HIS 131.A NE2 GLU 135.A OE1 no hydrogen 2.944 N/A GLN 133.A N GLY 115.A O no hydrogen 2.985 N/A GLU 135.A N PRO 132.A O no hydrogen 3.225 N/A GLN 140.A N PHE 137.A O no hydrogen 3.305 N/A GLN 140.A NE2 GLU 135.A O no hydrogen 3.133 N/A TYR 141.A N ASP 138.A O no hydrogen 3.343 N/A PHE 142.A N PHE 107.A O no hydrogen 2.854 N/A THR 143.A N LEU 14.A O no hydrogen 2.833 N/A THR 143.A OG1 LYS 105.A O no hydrogen 2.774 N/A LEU 145.A N ARG 12.A O no hydrogen 3.179 N/A GLU 147.A N TYR 10.A O no hydrogen 3.068 N/A SER 150.A N SER 282.A O no hydrogen 2.970 N/A ASP 152.A N TYR 280.A O no hydrogen 2.835 N/A LYS 153.A NZ GLU 155.A OE2 no hydrogen 2.837 N/A GLU 155.A N THR 278.A O no hydrogen 2.986 N/A TYR 156.A OH GLY 217.A O no hydrogen 2.560 N/A ASP 157.A N PRO 276.A O no hydrogen 3.027 N/A LYS 159.A NZ ASP 157.A OD1 no hydrogen 2.793 N/A LYS 159.A NZ ASP 160.A OD2 no hydrogen 3.383 N/A ASP 160.A N ASP 157.A O no hydrogen 3.269 N/A GLY 161.A N LEU 158.A O no hydrogen 3.130 N/A ARG 162.A N ASN 274.A O no hydrogen 3.103 N/A LEU 164.A N ILE 272.A O no hydrogen 3.089 N/A SER 165.A N ILE 272.A O no hydrogen 3.472 N/A THR 167.A N SER 270.A O no hydrogen 2.934 N/A ASN 169.A N VAL 268.A O no hydrogen 2.745 N/A ASN 169.A ND2 PRO 168.A O no hydrogen 2.946 N/A LEU 171.A N SER 266.A O no hydrogen 2.903 N/A ALA 172.A N SER 266.A O no hydrogen 3.363 N/A GLU 177.A N VAL 262.A O no hydrogen 3.258 N/A THR 179.A OG1 THR 183.A OG1 no hydrogen 3.326 N/A SER 180.A OG SER 181.A OG no hydrogen 3.236 N/A SER 181.A OG SER 180.A OG no hydrogen 3.236 N/A THR 183.A OG1 THR 179.A O no hydrogen 3.387 N/A THR 183.A OG1 THR 179.A OG1 no hydrogen 3.326 N/A THR 183.A OG1 SER 181.A O no hydrogen 3.024 N/A GLN 184.A NE2 GLN 184.A O no hydrogen 3.435 N/A GLN 184.A NE2 ARG 255.A O no hydrogen 3.516 N/A PHE 188.A N PHE 252.A O no hydrogen 2.859 N/A LEU 190.A N ALA 250.A O no hydrogen 2.948 N/A GLN 192.A N TYR 248.A O no hydrogen 3.348 N/A THR 193.A OG1 THR 247.A OG1 no hydrogen 2.556 N/A LEU 194.A N LYS 246.A O no hydrogen 3.064 N/A GLN 196.A N PHE 244.A O no hydrogen 2.733 N/A THR 197.A N VAL 299.A O no hydrogen 3.081 N/A SER 198.A N ASN 242.A O no hydrogen 3.054 N/A THR 199.A N ARG 297.A O no hydrogen 2.924 N/A ALA 201.A N ILE 295.A O no hydrogen 3.031 N/A TYR 202.A OH GLY 205.A O no hydrogen 2.680 N/A THR 203.A N GLU 293.A O no hydrogen 3.055 N/A ALA 204.A N GLU 293.A O no hydrogen 3.196 N/A PHE 206.A N THR 291.A O no hydrogen 2.937 N/A ILE 208.A N PHE 206.A O no hydrogen 3.088 N/A GLY 211.A N TRP 238.A O no hydrogen 2.987 N/A THR 212.A N ALA 209.A O no hydrogen 3.207 N/A THR 212.A OG1 ALA 209.A O no hydrogen 2.688 N/A PHE 214.A N TRP 236.A O no hydrogen 3.292 N/A VAL 218.A N ASP 229.A O no hydrogen 3.482 N/A ALA 222.A N GLU 225.A O no hydrogen 2.871 N/A LYS 227.A N ILE 220.A O no hydrogen 2.805 N/A ASP 229.A N VAL 218.A O no hydrogen 2.952 N/A SER 231.A N ASP 229.A OD1 no hydrogen 3.028 N/A SER 231.A OG ASP 229.A OD1 no hydrogen 3.193 N/A TRP 236.A N PHE 214.A O no hydrogen 2.828 N/A TRP 236.A NE1 ALA 216.A O no hydrogen 3.133 N/A ASN 237.A ND2 ASN 242.A OD1 no hydrogen 2.785 N/A TRP 238.A N THR 212.A O no hydrogen 2.958 N/A GLY 239.A N PHE 200.A O no hydrogen 3.007 N/A GLU 240.A N ASN 237.A O no hydrogen 3.212 N/A ASN 242.A N SER 198.A O no hydrogen 2.898 N/A PHE 244.A N GLN 196.A O no hydrogen 3.109 N/A LYS 246.A N LEU 194.A O no hydrogen 3.094 N/A LYS 246.A NZ ASP 229.A OD2 no hydrogen 3.126 N/A THR 247.A OG1 THR 193.A OG1 no hydrogen 2.556 N/A TYR 248.A N GLN 192.A O no hydrogen 2.971 N/A ALA 250.A N LEU 190.A O no hydrogen 3.289 N/A THR 251.A OG1 ASN 189.A OD1 no hydrogen 2.944 N/A PHE 252.A N PHE 188.A O no hydrogen 3.267 N/A SER 253.A OG GLU 185.A OE1 no hydrogen 3.425 N/A ARG 255.A NE SER 181.A O no hydrogen 2.792 N/A ARG 255.A NE GLN 182.A O no hydrogen 3.392 N/A THR 261.A N VAL 311.A O no hydrogen 3.125 N/A ALA 264.A N THR 175.A O no hydrogen 3.118 N/A VAL 265.A N THR 307.A O no hydrogen 3.170 N/A SER 266.A N ALA 172.A O no hydrogen 3.131 N/A SER 266.A OG HIS 306.A ND1 no hydrogen 2.638 N/A THR 267.A N ARG 305.A O no hydrogen 2.886 N/A THR 267.A OG1 ASN 169.A O no hydrogen 3.542 N/A VAL 268.A N ASN 169.A O no hydrogen 3.041 N/A ASP 269.A N TRP 302.A O no hydrogen 2.944 N/A SER 270.A N THR 167.A O no hydrogen 2.985 N/A SER 270.A OG ASN 169.A OD1 no hydrogen 3.057 N/A GLY 271.A N SER 300.A O no hydrogen 3.128 N/A ILE 272.A N SER 165.A OG no hydrogen 3.065 N/A ILE 273.A N GLY 298.A O no hydrogen 2.893 N/A ASN 274.A N ARG 162.A O no hydrogen 3.087 N/A VAL 275.A N TRP 296.A O no hydrogen 2.928 N/A PHE 277.A N GLY 294.A O no hydrogen 2.777 N/A THR 278.A N GLU 155.A O no hydrogen 3.033 N/A THR 278.A OG1 GLU 293.A OE1 no hydrogen 2.940 N/A ALA 279.A N THR 292.A O no hydrogen 2.791 N/A TYR 280.A N LYS 153.A O no hydrogen 2.905 N/A LEU 281.A N VAL 290.A O no hydrogen 3.049 N/A SER 282.A N SER 150.A O no hydrogen 3.157 N/A SER 282.A OG ASP 152.A OD1 no hydrogen 3.331 N/A SER 282.A OG ASP 152.A OD2 no hydrogen 2.469 N/A SER 283.A N PHE 288.A O no hydrogen 2.953 N/A SER 283.A OG GLU 147.A OE1 no hydrogen 2.626 N/A SER 283.A OG SER 285.A OG no hydrogen 2.802 N/A LYS 284.A N ASP 148.A O no hydrogen 3.404 N/A LYS 284.A NZ ASP 148.A OD2 no hydrogen 3.136 N/A SER 285.A OG GLU 147.A OE1 no hydrogen 3.080 N/A SER 285.A OG SER 283.A OG no hydrogen 2.802 N/A SER 285.A OG THR 286.A OG1 no hydrogen 3.155 N/A THR 286.A N SER 283.A OG no hydrogen 3.220 N/A THR 286.A OG1 SER 285.A OG no hydrogen 3.155 N/A GLY 287.A N SER 283.A O no hydrogen 2.927 N/A VAL 290.A N LEU 281.A O no hydrogen 3.229 N/A THR 291.A OG1 GLU 293.A OE2 no hydrogen 3.322 N/A THR 292.A N ALA 279.A O no hydrogen 3.030 N/A THR 292.A OG1 PHE 206.A O no hydrogen 2.730 N/A GLU 293.A N ALA 204.A O no hydrogen 2.904 N/A GLY 294.A N PHE 277.A O no hydrogen 2.861 N/A ILE 295.A N ALA 201.A O no hydrogen 3.028 N/A TRP 296.A N VAL 275.A O no hydrogen 2.831 N/A TRP 296.A NE1 SER 198.A OG no hydrogen 3.110 N/A ARG 297.A N THR 199.A O no hydrogen 3.021 N/A GLY 298.A N ILE 273.A O no hydrogen 2.962 N/A SER 300.A N GLY 271.A O no hydrogen 2.976 N/A SER 301.A OG GLN 196.A OE1 no hydrogen 2.875 N/A TRP 302.A N ASP 269.A O no hydrogen 2.796 N/A ARG 305.A N THR 267.A O no hydrogen 2.961 N/A ARG 305.A NH1 ASP 269.A OD1 no hydrogen 3.077 N/A HIS 306.A ND1 SER 266.A OG no hydrogen 2.638 N/A THR 307.A N VAL 265.A O no hydrogen 3.132 N/A THR 309.A N LYS 263.A O no hydrogen 3.293 N/A SER 310.A OG THR 309.A O no hydrogen 2.811 N/A THR 312.A OG1 GLY 259.A O no hydrogen 2.957 N/A THR 312.A OG1 GLU 260.A OE2 no hydrogen 3.093 N/A