Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ubx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 7.A N VAL 3.A O no hydrogen 3.142 N/A GLU 8.A N VAL 4.A O no hydrogen 2.880 N/A ARG 9.A N VAL 5.A O no hydrogen 2.660 N/A GLU 10.A N GLU 6.A O no hydrogen 2.562 N/A GLU 11.A N ARG 7.A O no hydrogen 2.708 N/A GLU 11.A N GLU 8.A O no hydrogen 2.448 N/A PHE 12.A N GLU 8.A O no hydrogen 2.993 N/A VAL 13.A N ARG 9.A O no hydrogen 3.409 N/A GLY 14.A N GLU 10.A O no hydrogen 2.964 N/A PHE 15.A N PHE 12.A O no hydrogen 2.595 N/A PHE 16.A N VAL 13.A O no hydrogen 3.345 N/A GLN 18.A N PHE 15.A O no hydrogen 3.023 N/A ILE 19.A N PHE 15.A O no hydrogen 3.368 N/A VAL 20.A N PHE 16.A O no hydrogen 2.576 N/A ARG 21.A N PRO 17.A O no hydrogen 2.444 N/A ASP 22.A N GLN 18.A O no hydrogen 2.654 N/A LEU 23.A N ILE 19.A O no hydrogen 2.683 N/A THR 24.A N ARG 21.A O no hydrogen 3.210 N/A THR 24.A OG1 VAL 20.A O no hydrogen 2.603 N/A GLU 25.A N ARG 21.A O no hydrogen 2.864 N/A ILE 28.A N THR 24.A O no hydrogen 2.875 N/A HIS 30.A N GLY 27.A O no hydrogen 3.033 N/A GLY 34.A N HIS 30.A O no hydrogen 2.837 N/A VAL 37.A N VAL 33.A O no hydrogen 2.887 N/A ALA 38.A N GLY 34.A O no hydrogen 3.030 N/A ARG 39.A N ASP 35.A O no hydrogen 2.941 N/A LEU 40.A N ALA 36.A O no hydrogen 2.911 N/A LYS 41.A N VAL 37.A O no hydrogen 2.951 N/A VAL 43.A N ARG 39.A O no hydrogen 3.010 N/A LEU 44.A N LEU 40.A O no hydrogen 2.661 N/A GLN 45.A N LYS 41.A O no hydrogen 2.575 N/A TYR 46.A N GLU 42.A O no hydrogen 2.643 N/A TYR 46.A OH LEU 111.A O no hydrogen 2.562 N/A ASN 47.A N VAL 43.A O no hydrogen 3.028 N/A ALA 48.A N LEU 44.A O no hydrogen 3.155 N/A ARG 55.A NE SER 200.A OG no hydrogen 3.224 N/A ARG 55.A NH2 SER 200.A OG no hydrogen 2.482 N/A GLY 56.A N GLU 88.A OE2 no hydrogen 3.086 N/A LEU 57.A N CYS 53.A O no hydrogen 2.860 N/A THR 58.A N ASN 54.A O no hydrogen 3.163 N/A THR 58.A OG1 ASN 54.A O no hydrogen 3.087 N/A ALA 61.A N LEU 57.A O no hydrogen 2.724 N/A ALA 62.A N THR 58.A O no hydrogen 2.842 N/A TYR 63.A N VAL 59.A O no hydrogen 2.722 N/A TYR 63.A OH GLN 71.A O no hydrogen 2.665 N/A ARG 64.A N VAL 60.A O no hydrogen 3.118 N/A ARG 64.A N ALA 61.A O no hydrogen 2.712 N/A GLU 65.A N ALA 61.A O no hydrogen 3.043 N/A LEU 66.A N ALA 62.A O no hydrogen 2.702 N/A LEU 66.A N TYR 63.A O no hydrogen 2.869 N/A SER 67.A N TYR 63.A O no hydrogen 2.820 N/A SER 67.A OG TYR 63.A O no hydrogen 2.655 N/A SER 67.A OG ARG 64.A O no hydrogen 3.522 N/A GLY 68.A N GLN 71.A OE1 no hydrogen 2.658 N/A GLN 71.A N GLY 68.A O no hydrogen 2.527 N/A LYS 72.A NZ SER 67.A O no hydrogen 3.130 N/A SER 76.A N ASP 73.A OD2 no hydrogen 2.864 N/A SER 76.A OG TYR 63.A OH no hydrogen 3.111 N/A SER 76.A OG ASP 73.A OD1 no hydrogen 2.582 N/A LEU 77.A N ASP 73.A O no hydrogen 2.890 N/A ARG 78.A N ALA 74.A O no hydrogen 2.808 N/A CYS 79.A SG GLU 75.A O no hydrogen 3.403 N/A ALA 80.A N SER 76.A O no hydrogen 3.249 N/A LEU 81.A N LEU 77.A O no hydrogen 2.979 N/A ALA 82.A N ARG 78.A O no hydrogen 2.669 N/A VAL 83.A N CYS 79.A O no hydrogen 2.508 N/A GLY 84.A N ALA 80.A O no hydrogen 3.040 N/A GLY 84.A N LEU 81.A O no hydrogen 2.768 N/A TRP 85.A N LEU 81.A O no hydrogen 3.125 N/A TRP 85.A NE1 PHE 12.A O no hydrogen 3.243 N/A CYS 86.A N ALA 82.A O no hydrogen 3.246 N/A CYS 86.A SG ALA 82.A O no hydrogen 3.956 N/A CYS 86.A SG VAL 134.A O no hydrogen 3.566 N/A ILE 87.A N GLY 84.A O no hydrogen 3.034 N/A GLU 88.A N GLY 84.A O no hydrogen 3.253 N/A LEU 89.A N TRP 85.A O no hydrogen 2.371 N/A PHE 90.A N CYS 86.A O no hydrogen 3.124 N/A GLN 91.A N ILE 87.A O no hydrogen 3.002 N/A ALA 92.A N GLU 88.A O no hydrogen 3.401 N/A ALA 93.A N LEU 89.A O no hydrogen 3.167 N/A SER 94.A N PHE 90.A O no hydrogen 3.184 N/A SER 94.A OG PHE 90.A O no hydrogen 3.551 N/A SER 94.A OG GLN 91.A O no hydrogen 2.261 N/A LEU 95.A N GLN 91.A O no hydrogen 2.695 N/A VAL 96.A N ALA 92.A O no hydrogen 2.675 N/A ALA 97.A N ALA 93.A O no hydrogen 2.903 N/A ASP 98.A N SER 94.A O no hydrogen 2.942 N/A ASP 99.A N LEU 95.A O no hydrogen 3.121 N/A MET 101.A N ALA 97.A O no hydrogen 3.420 N/A ASP 102.A N ASP 98.A O no hydrogen 2.837 N/A GLN 103.A NE2 ILE 100.A O no hydrogen 2.450 N/A SER 104.A N ASP 99.A O no hydrogen 3.299 N/A ARG 107.A N GLN 110.A O no hydrogen 2.609 N/A ARG 107.A NH1 ASP 99.A OD2 no hydrogen 3.269 N/A GLN 110.A N ARG 107.A O no hydrogen 2.538 N/A CYS 112.A N LEU 105.A O no hydrogen 3.277 N/A TRP 113.A NE1 ASP 126.A OD2 no hydrogen 2.662 N/A TYR 114.A OH SER 104.A O no hydrogen 2.316 N/A LYS 115.A N CYS 112.A O no hydrogen 3.127 N/A LYS 115.A NZ TYR 114.A OH no hydrogen 3.447 N/A LYS 116.A N CYS 112.A O no hydrogen 3.356 N/A LYS 116.A N TRP 113.A O no hydrogen 2.950 N/A VAL 119.A N LYS 116.A O no hydrogen 3.252 N/A ILE 124.A N LEU 121.A O no hydrogen 2.912 N/A ASP 126.A N ASP 122.A O no hydrogen 3.264 N/A SER 127.A N ALA 123.A O no hydrogen 2.704 N/A SER 127.A N ILE 124.A O no hydrogen 3.125 N/A SER 127.A OG ALA 93.A O no hydrogen 3.025 N/A PHE 128.A N ILE 124.A O no hydrogen 3.179 N/A LEU 129.A N ASN 125.A O no hydrogen 3.225 N/A LEU 129.A N ASP 126.A O no hydrogen 3.251 N/A LEU 130.A N ASP 126.A O no hydrogen 3.133 N/A GLU 131.A N SER 127.A O no hydrogen 3.237 N/A SER 132.A N PHE 128.A O no hydrogen 3.180 N/A SER 133.A N LEU 129.A O no hydrogen 3.025 N/A SER 133.A OG LEU 129.A O no hydrogen 2.733 N/A VAL 134.A N GLU 131.A O no hydrogen 3.053 N/A ARG 136.A N SER 132.A O no hydrogen 3.018 N/A ARG 136.A N SER 133.A O no hydrogen 2.952 N/A VAL 137.A N SER 133.A O no hydrogen 3.055 N/A LEU 138.A N VAL 134.A O no hydrogen 3.346 N/A LYS 139.A N TYR 135.A O no hydrogen 3.279 N/A LYS 140.A N ARG 136.A O no hydrogen 3.290 N/A LYS 140.A NZ ASP 22.A OD1 no hydrogen 2.645 N/A TYR 141.A N VAL 137.A O no hydrogen 2.937 N/A TYR 141.A OH ASP 22.A OD2 no hydrogen 2.559 N/A CYS 142.A N LEU 138.A O no hydrogen 2.845 N/A ARG 143.A N LYS 139.A O no hydrogen 3.347 N/A ARG 145.A NE GLN 144.A O no hydrogen 3.214 N/A TYR 148.A N ARG 145.A O no hydrogen 3.144 N/A LEU 151.A N TYR 147.A O no hydrogen 3.038 N/A LEU 152.A N TYR 148.A O no hydrogen 2.917 N/A GLU 153.A N VAL 149.A O no hydrogen 2.760 N/A LEU 154.A N HIS 150.A O no hydrogen 2.831 N/A PHE 155.A N LEU 151.A O no hydrogen 3.096 N/A LEU 156.A N LEU 152.A O no hydrogen 3.023 N/A GLN 157.A N GLU 153.A O no hydrogen 2.978 N/A GLN 157.A N LEU 154.A O no hydrogen 2.603 N/A THR 158.A N LEU 154.A O no hydrogen 2.800 N/A THR 158.A OG1 PHE 155.A O no hydrogen 2.747 N/A ALA 159.A N PHE 155.A O no hydrogen 3.032 N/A ALA 159.A N LEU 156.A O no hydrogen 3.160 N/A TYR 160.A N GLN 157.A O no hydrogen 2.865 N/A GLN 161.A N GLN 157.A O no hydrogen 3.171 N/A THR 162.A N THR 158.A O no hydrogen 3.038 N/A THR 162.A OG1 ALA 159.A O no hydrogen 3.020 N/A GLU 163.A N ALA 159.A O no hydrogen 2.635 N/A LEU 164.A N TYR 160.A O no hydrogen 3.172 N/A GLY 165.A N GLN 161.A O no hydrogen 3.058 N/A GLN 166.A N THR 162.A O no hydrogen 2.885 N/A MET 167.A N GLU 163.A O no hydrogen 2.745 N/A LEU 168.A N GLY 165.A O no hydrogen 2.606 N/A ASP 169.A N GLY 165.A O no hydrogen 2.903 N/A LEU 170.A N GLN 166.A O no hydrogen 3.091 N/A ILE 171.A N LEU 168.A O no hydrogen 2.894 N/A THR 172.A N LEU 168.A O no hydrogen 2.992 N/A THR 172.A OG1 HIS 182.A O no hydrogen 3.016 N/A ALA 173.A N ASP 169.A O no hydrogen 2.590 N/A HIS 182.A N SER 181.A OG no hydrogen 2.251 N/A ARG 187.A N SER 184.A O no hydrogen 2.275 N/A TYR 188.A N SER 184.A O no hydrogen 2.517 N/A TYR 188.A OH ASP 239.A OD2 no hydrogen 2.856 N/A LYS 189.A N GLU 185.A O no hydrogen 2.805 N/A ALA 190.A N ARG 187.A O no hydrogen 2.860 N/A ILE 191.A N ARG 187.A O no hydrogen 2.862 N/A VAL 192.A N TYR 188.A O no hydrogen 2.878 N/A LYS 193.A N LYS 189.A O no hydrogen 3.135 N/A LYS 193.A NZ TYR 194.A OH no hydrogen 3.532 N/A TYR 194.A N ALA 190.A O no hydrogen 3.009 N/A LYS 195.A N ILE 191.A O no hydrogen 2.675 N/A THR 196.A N VAL 192.A O no hydrogen 3.136 N/A THR 196.A OG1 VAL 192.A O no hydrogen 3.174 N/A ALA 197.A N VAL 192.A O no hydrogen 3.144 N/A TYR 199.A OH GLN 91.A OE1 no hydrogen 2.274 N/A SER 200.A N THR 196.A O no hydrogen 2.980 N/A SER 200.A OG THR 196.A O no hydrogen 2.234 N/A PHE 201.A N ALA 197.A O no hydrogen 2.925 N/A TYR 202.A OH HIS 220.A ND1 no hydrogen 2.963 N/A LEU 203.A N PHE 198.A O no hydrogen 3.019 N/A ALA 206.A N TYR 202.A O no hydrogen 2.802 N/A ALA 207.A N PRO 204.A O no hydrogen 3.087 N/A ALA 208.A N PRO 204.A O no hydrogen 3.061 N/A MET 209.A N VAL 205.A O no hydrogen 2.974 N/A TYR 210.A N ALA 206.A O no hydrogen 3.411 N/A MET 211.A N ALA 208.A O no hydrogen 2.954 N/A VAL 212.A N ALA 208.A O no hydrogen 3.227 N/A VAL 212.A N MET 209.A O no hydrogen 3.062 N/A GLU 219.A N SER 216.A O no hydrogen 2.821 N/A HIS 220.A N SER 216.A O no hydrogen 2.973 N/A HIS 220.A N LYS 217.A O no hydrogen 3.193 N/A GLU 221.A N LYS 217.A O no hydrogen 3.118 N/A ASN 222.A N GLU 218.A O no hydrogen 3.100 N/A ASN 222.A ND2 GLU 219.A OE2 no hydrogen 2.923 N/A ALA 223.A N GLU 219.A O no hydrogen 3.165 N/A ALA 223.A N HIS 220.A O no hydrogen 2.991 N/A LYS 224.A N HIS 220.A O no hydrogen 2.998 N/A ALA 225.A N GLU 221.A O no hydrogen 3.093 N/A LEU 227.A N ALA 223.A O no hydrogen 2.904 N/A LEU 228.A N LYS 224.A O no hydrogen 3.039 N/A GLY 231.A N LEU 227.A O no hydrogen 2.963 N/A GLU 232.A N LEU 228.A O no hydrogen 2.828 N/A TYR 233.A N GLU 229.A O no hydrogen 2.887 N/A TYR 233.A OH GLN 237.A OE1 no hydrogen 2.398 N/A TYR 233.A OH GLU 313.A OE2 no hydrogen 2.526 N/A PHE 234.A N MET 230.A O no hydrogen 3.226 N/A GLN 235.A N GLY 231.A O no hydrogen 3.113 N/A GLN 235.A N GLU 232.A O no hydrogen 2.776 N/A ILE 236.A N GLU 232.A O no hydrogen 2.806 N/A GLN 237.A N TYR 233.A O no hydrogen 2.749 N/A GLN 237.A NE2 ILE 343.A O no hydrogen 2.934 N/A ASP 238.A N PHE 234.A O no hydrogen 2.938 N/A ASP 239.A N GLN 235.A O no hydrogen 2.841 N/A TYR 240.A N ILE 236.A O no hydrogen 3.275 N/A TYR 240.A N GLN 237.A O no hydrogen 3.024 N/A TYR 240.A OH GLN 347.A O no hydrogen 2.768 N/A LEU 241.A N GLN 237.A O no hydrogen 3.120 N/A ASP 242.A N TYR 240.A O no hydrogen 2.431 N/A CYS 243.A N TYR 240.A O no hydrogen 2.940 N/A PHE 244.A N TYR 240.A O no hydrogen 2.767 N/A LEU 249.A N ASP 246.A O no hydrogen 2.781 N/A THR 255.A OG1 ASP 242.A O no hydrogen 2.699 N/A THR 255.A OG1 ASP 242.A OD1 no hydrogen 2.658 N/A ASP 256.A N ASP 242.A OD1 no hydrogen 2.962 N/A GLN 258.A NE2 GLN 258.A O no hydrogen 2.427 N/A LYS 261.A N ASP 259.A O no hydrogen 2.333 N/A LYS 261.A NZ ASP 242.A OD2 no hydrogen 2.609 N/A VAL 267.A N SER 263.A O no hydrogen 3.228 N/A GLN 268.A N TRP 264.A O no hydrogen 2.704 N/A GLN 268.A NE2 GLU 185.A OE2 no hydrogen 3.087 N/A CYS 269.A N LEU 265.A O no hydrogen 2.705 N/A LEU 270.A N VAL 266.A O no hydrogen 2.833 N/A GLN 271.A N GLN 268.A O no hydrogen 3.255 N/A GLN 271.A N CYS 269.A O no hydrogen 2.628 N/A GLN 271.A NE2 VAL 267.A O no hydrogen 2.860 N/A ARG 272.A N CYS 269.A O no hydrogen 2.863 N/A ARG 272.A NH1 GLN 268.A O no hydrogen 3.112 N/A ARG 272.A NH1 GLN 268.A OE1 no hydrogen 2.430 N/A THR 274.A OG1 GLU 276.A OE1 no hydrogen 2.317 N/A THR 274.A OG1 GLN 277.A OE1 no hydrogen 2.475 N/A GLU 276.A N THR 274.A OG1 no hydrogen 2.613 N/A GLU 276.A N GLU 276.A OE1 no hydrogen 2.779 N/A GLN 277.A N GLN 277.A OE1 no hydrogen 2.208 N/A ARG 278.A N THR 274.A O no hydrogen 2.626 N/A GLN 279.A N GLU 276.A O no hydrogen 3.200 N/A LEU 280.A N GLU 276.A O no hydrogen 3.218 N/A LEU 281.A N GLN 277.A O no hydrogen 2.802 N/A GLU 282.A N ARG 278.A O no hydrogen 3.021 N/A ASP 283.A N LEU 280.A O no hydrogen 2.868 N/A ASN 284.A N LEU 280.A O no hydrogen 3.058 N/A TYR 285.A N LEU 281.A O no hydrogen 2.912 N/A TYR 285.A OH LYS 261.A O no hydrogen 2.307 N/A LYS 288.A NZ GLN 258.A OE1 no hydrogen 2.859 N/A LYS 292.A NZ GLU 289.A OE1 no hydrogen 2.954 N/A VAL 293.A N GLU 289.A O no hydrogen 2.923 N/A ALA 294.A N PRO 290.A O no hydrogen 3.257 N/A LYS 295.A N LYS 292.A O no hydrogen 2.230 N/A VAL 296.A N LYS 292.A O no hydrogen 2.693 N/A LYS 297.A N VAL 293.A O no hydrogen 3.294 N/A LYS 297.A NZ ASP 256.A O no hydrogen 3.290 N/A LEU 299.A N LYS 295.A O no hydrogen 3.302 N/A TYR 300.A N VAL 296.A O no hydrogen 3.064 N/A GLU 301.A N LYS 297.A O no hydrogen 2.886 N/A VAL 303.A N LEU 299.A O no hydrogen 2.403 N/A GLY 304.A N TYR 300.A O no hydrogen 2.772 N/A ALA 307.A N GLY 304.A O no hydrogen 3.356 N/A PHE 309.A N MET 305.A O no hydrogen 3.005 N/A GLN 310.A N ARG 306.A O no hydrogen 2.949 N/A GLN 310.A NE2 GLU 313.A OE1 no hydrogen 2.871 N/A GLN 311.A N ALA 307.A O no hydrogen 2.643 N/A TYR 312.A N PHE 309.A O no hydrogen 2.995 N/A TYR 312.A OH GLU 232.A OE2 no hydrogen 3.381 N/A GLU 313.A N PHE 309.A O no hydrogen 2.730 N/A GLU 314.A N GLN 310.A O no hydrogen 2.713 N/A SER 315.A N TYR 312.A O no hydrogen 2.530 N/A SER 315.A OG TYR 312.A O no hydrogen 2.866 N/A SER 316.A N TYR 312.A O no hydrogen 3.084 N/A SER 316.A OG GLU 229.A OE2 no hydrogen 2.838 N/A SER 316.A OG TYR 344.A OH no hydrogen 2.938 N/A ARG 319.A N SER 315.A O no hydrogen 2.980 N/A LEU 320.A N SER 316.A O no hydrogen 2.476 N/A GLN 321.A N TYR 317.A O no hydrogen 3.092 N/A GLU 322.A N ARG 318.A O no hydrogen 3.286 N/A LEU 323.A N ARG 319.A O no hydrogen 3.069 N/A ILE 324.A N LEU 320.A O no hydrogen 3.067 N/A ILE 324.A N GLN 321.A O no hydrogen 2.406 N/A GLU 325.A N GLN 321.A O no hydrogen 3.019 N/A GLU 325.A N GLU 325.A OE1 no hydrogen 2.506 N/A HIS 327.A N ILE 324.A O no hydrogen 3.053 N/A SER 328.A N ILE 324.A O no hydrogen 2.666 N/A SER 328.A OG LEU 331.A O no hydrogen 3.008 N/A ILE 335.A N PRO 332.A O no hydrogen 3.214 N/A LEU 337.A N LYS 333.A O no hydrogen 3.017 N/A GLY 338.A N GLU 334.A O no hydrogen 2.954 N/A LEU 339.A N ILE 335.A O no hydrogen 3.289 N/A ALA 340.A N PHE 336.A O no hydrogen 3.146 N/A GLN 341.A N LEU 337.A O no hydrogen 2.671 N/A GLN 341.A NE2 GLY 338.A O no hydrogen 3.344 N/A LYS 342.A N LEU 339.A O no hydrogen 3.095 N/A ILE 343.A N ALA 340.A O no hydrogen 2.689 N/A TYR 344.A N ALA 340.A O no hydrogen 3.081 N/A TYR 344.A OH SER 316.A OG no hydrogen 2.938 N/A LYS 348.A NZ TYR 240.A OH no hydrogen 3.219 N/A LYS 348.A NZ PHE 244.A O no hydrogen 2.700 N/A LYS 348.A NZ GLN 347.A O no hydrogen 2.320 N/A