Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ypi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE SER 201.A O no hydrogen 2.345 N/A ARG 2.A NH1 ALA 223.A O no hydrogen 3.198 N/A ARG 2.A NH1 ASP 226.A OD2 no hydrogen 3.421 N/A ARG 2.A NH2 SER 201.A O no hydrogen 3.148 N/A PHE 5.A N ASP 226.A O no hydrogen 3.028 N/A VAL 6.A N GLU 36.A O no hydrogen 2.748 N/A GLY 7.A N PHE 228.A O no hydrogen 2.710 N/A GLY 8.A N VAL 38.A O no hydrogen 2.978 N/A ASN 9.A N VAL 230.A O no hydrogen 2.856 N/A PHE 10.A N CYS 40.A O no hydrogen 3.178 N/A LYS 11.A N ASN 9.A OD1 no hydrogen 3.253 N/A LYS 11.A NZ GLU 96.A OE1 no hydrogen 2.564 N/A ASN 13.A ND2 PHE 10.A O no hydrogen 2.499 N/A SER 15.A OG SER 18.A OG no hydrogen 3.121 N/A SER 18.A N SER 15.A OG no hydrogen 3.164 N/A SER 18.A OG SER 15.A O no hydrogen 3.242 N/A SER 18.A OG SER 15.A OG no hydrogen 3.121 N/A ILE 19.A N SER 15.A O no hydrogen 2.916 N/A LYS 20.A N LYS 16.A O no hydrogen 3.064 N/A GLU 21.A N GLN 17.A O no hydrogen 3.291 N/A ILE 22.A N SER 18.A O no hydrogen 2.915 N/A VAL 23.A N ILE 19.A O no hydrogen 2.628 N/A GLU 24.A N LYS 20.A O no hydrogen 2.593 N/A ARG 25.A N GLU 21.A O no hydrogen 2.999 N/A LEU 26.A N ILE 22.A O no hydrogen 3.365 N/A ASN 27.A ND2 LEU 52.A O no hydrogen 2.768 N/A ASN 34.A ND2 GLU 33.A O no hydrogen 2.366 N/A GLU 36.A N PHE 4.A O no hydrogen 2.934 N/A VAL 37.A N GLN 57.A O no hydrogen 2.829 N/A VAL 38.A N VAL 6.A O no hydrogen 3.018 N/A ILE 39.A N THR 59.A O no hydrogen 2.732 N/A CYS 40.A N GLY 8.A O no hydrogen 2.706 N/A TYR 45.A N PRO 42.A O no hydrogen 3.097 N/A LEU 46.A N ALA 43.A O no hydrogen 3.276 N/A TYR 48.A OH LYS 16.A O no hydrogen 3.325 N/A SER 49.A N TYR 45.A O no hydrogen 2.830 N/A SER 49.A OG TYR 45.A O no hydrogen 2.924 N/A VAL 50.A N LEU 46.A O no hydrogen 2.992 N/A SER 51.A N ASP 47.A O no hydrogen 2.976 N/A SER 51.A OG ASP 47.A O no hydrogen 3.470 N/A LEU 52.A N TYR 48.A O no hydrogen 3.323 N/A VAL 53.A N SER 49.A O no hydrogen 3.215 N/A VAL 53.A N VAL 50.A O no hydrogen 3.283 N/A LYS 54.A N ASN 27.A OD1 no hydrogen 2.569 N/A LYS 54.A NZ GLU 24.A OE2 no hydrogen 3.530 N/A LYS 54.A NZ LEU 52.A O no hydrogen 2.823 N/A LYS 55.A NZ ASN 27.A O no hydrogen 3.246 N/A LYS 55.A NZ ALA 29.A O no hydrogen 2.792 N/A GLN 57.A NE2 PRO 32.A O no hydrogen 2.858 N/A VAL 58.A N LYS 55.A O no hydrogen 3.121 N/A THR 59.A N VAL 37.A O no hydrogen 2.921 N/A THR 59.A OG1 VAL 37.A O no hydrogen 3.484 N/A GLY 61.A N ILE 39.A O no hydrogen 2.943 N/A ALA 62.A N TRP 89.A O no hydrogen 2.888 N/A GLN 63.A NE2 LYS 11.A O no hydrogen 2.842 N/A GLN 63.A NE2 CYS 40.A O no hydrogen 2.790 N/A TYR 66.A N ASN 77.A O no hydrogen 3.078 N/A PHE 73.A N GLY 71.A O no hydrogen 3.006 N/A GLU 76.A N PHE 73.A O no hydrogen 3.154 N/A SER 78.A OG ALA 69.A O no hydrogen 2.691 N/A ASP 80.A N SER 78.A OG no hydrogen 2.972 N/A ILE 82.A N SER 78.A O no hydrogen 3.341 N/A LYS 83.A N VAL 79.A O no hydrogen 3.117 N/A LYS 83.A NZ GLN 118.A O no hydrogen 2.978 N/A ASP 84.A N ASP 80.A O no hydrogen 3.148 N/A VAL 85.A N GLN 81.A O no hydrogen 3.255 N/A GLY 86.A N LYS 83.A O no hydrogen 2.784 N/A ALA 87.A N ILE 82.A O no hydrogen 2.807 N/A LYS 88.A N VAL 60.A O no hydrogen 3.050 N/A LYS 88.A NZ GLY 86.A O no hydrogen 3.364 N/A VAL 90.A N GLY 121.A O no hydrogen 2.848 N/A ILE 91.A N ALA 62.A O no hydrogen 3.034 N/A LEU 92.A N ILE 123.A O no hydrogen 2.678 N/A SER 95.A N GLU 164.A OE1 no hydrogen 2.706 N/A SER 95.A OG GLU 164.A OE1 no hydrogen 3.392 N/A SER 95.A OG GLU 164.A OE2 no hydrogen 2.573 N/A GLU 96.A N HIS 94.A ND1 no hydrogen 2.874 N/A ARG 97.A N HIS 94.A O no hydrogen 2.778 N/A ARG 97.A NE GLU 103.A OE1 no hydrogen 3.308 N/A ARG 97.A NH1 GLU 103.A OE1 no hydrogen 3.371 N/A ARG 98.A N HIS 94.A O no hydrogen 3.083 N/A ARG 98.A NE GLY 93.A O no hydrogen 2.888 N/A ARG 98.A NE CYS 125.A O no hydrogen 3.341 N/A ARG 98.A NH1 CYS 125.A O no hydrogen 2.532 N/A SER 99.A N SER 95.A O no hydrogen 2.926 N/A SER 99.A OG SER 95.A O no hydrogen 2.868 N/A PHE 101.A N ARG 97.A O no hydrogen 3.037 N/A HIS 102.A N SER 99.A O no hydrogen 3.503 N/A GLU 103.A N ARG 97.A O no hydrogen 3.356 N/A LYS 106.A NZ ASP 110.A OD1 no hydrogen 3.386 N/A LYS 106.A NZ ASP 110.A OD2 no hydrogen 3.274 N/A PHE 107.A N ASP 104.A OD1 no hydrogen 2.952 N/A ILE 108.A N ASP 104.A O no hydrogen 3.172 N/A ALA 109.A N ASP 105.A O no hydrogen 3.113 N/A ASP 110.A N LYS 106.A O no hydrogen 2.822 N/A LYS 111.A N PHE 107.A O no hydrogen 2.719 N/A LYS 111.A NZ ALA 65.A O no hydrogen 3.453 N/A LYS 111.A NZ GLU 103.A OE1 no hydrogen 2.731 N/A LYS 111.A NZ GLU 103.A OE2 no hydrogen 2.863 N/A THR 112.A N ILE 108.A O no hydrogen 2.581 N/A THR 112.A OG1 ILE 108.A O no hydrogen 2.559 N/A LYS 113.A N ALA 109.A O no hydrogen 3.032 N/A PHE 114.A N ASP 110.A O no hydrogen 3.288 N/A ALA 115.A N LYS 111.A O no hydrogen 3.171 N/A LEU 116.A N THR 112.A O no hydrogen 2.945 N/A GLY 117.A N LYS 113.A O no hydrogen 2.868 N/A GLN 118.A N PHE 114.A O no hydrogen 3.175 N/A GLN 118.A N ALA 115.A O no hydrogen 2.979 N/A GLN 118.A NE2 ASP 80.A OD2 no hydrogen 3.402 N/A GLY 119.A N LEU 116.A O no hydrogen 3.382 N/A VAL 120.A N ALA 115.A O no hydrogen 3.229 N/A GLY 121.A N LYS 88.A O no hydrogen 2.776 N/A VAL 122.A N ASN 158.A O no hydrogen 3.134 N/A ILE 123.A N VAL 90.A O no hydrogen 2.736 N/A LEU 124.A N VAL 160.A O no hydrogen 2.963 N/A CYS 125.A N LEU 92.A O no hydrogen 2.812 N/A ILE 126.A N ALA 162.A O no hydrogen 3.131 N/A THR 129.A OG1 GLU 131.A OE2 no hydrogen 3.432 N/A GLU 132.A N THR 129.A OG1 no hydrogen 3.081 N/A LYS 133.A N THR 129.A O no hydrogen 2.857 N/A LYS 134.A N LEU 130.A O no hydrogen 2.830 N/A ALA 135.A N GLU 131.A O no hydrogen 3.295 N/A GLY 136.A N LYS 133.A O no hydrogen 2.912 N/A LYS 137.A N GLU 132.A O no hydrogen 3.037 N/A VAL 141.A N LYS 137.A O no hydrogen 3.033 N/A VAL 142.A N THR 138.A O no hydrogen 3.329 N/A GLU 143.A N LEU 139.A O no hydrogen 3.069 N/A ARG 144.A N ASP 140.A O no hydrogen 2.765 N/A ARG 144.A NE ASP 105.A OD1 no hydrogen 2.953 N/A ARG 144.A NH1 ASP 105.A OD1 no hydrogen 3.340 N/A GLN 145.A N VAL 141.A O no hydrogen 2.486 N/A LEU 146.A N VAL 142.A O no hydrogen 2.894 N/A ASN 147.A N GLU 143.A O no hydrogen 2.648 N/A ASN 147.A ND2 GLU 143.A O no hydrogen 3.078 N/A ALA 148.A N ARG 144.A O no hydrogen 3.394 N/A VAL 149.A N LEU 146.A O no hydrogen 3.183 N/A LEU 150.A N LEU 146.A O no hydrogen 3.023 N/A GLU 151.A N ASN 147.A O no hydrogen 3.197 N/A GLU 152.A N VAL 149.A O no hydrogen 2.787 N/A VAL 153.A N VAL 149.A O no hydrogen 2.523 N/A TRP 156.A NE1 VAL 153.A O no hydrogen 2.449 N/A THR 157.A N ASP 155.A OD2 no hydrogen 3.088 N/A THR 157.A OG1 ASP 155.A OD2 no hydrogen 3.277 N/A VAL 160.A N VAL 122.A O no hydrogen 2.814 N/A VAL 161.A N ARG 204.A O no hydrogen 2.906 N/A ALA 162.A N LEU 124.A O no hydrogen 2.947 N/A TYR 163.A N LEU 206.A O no hydrogen 2.940 N/A TYR 163.A OH GLU 128.A OE1 no hydrogen 2.823 N/A GLU 164.A N ILE 126.A O no hydrogen 2.838 N/A TRP 167.A NE1 TYR 163.A OH no hydrogen 2.966 N/A ALA 168.A N PRO 165.A O no hydrogen 3.122 N/A ILE 169.A N VAL 166.A O no hydrogen 3.335 N/A THR 171.A OG1 TRP 167.A O no hydrogen 2.621 N/A LEU 173.A N THR 171.A OG1 no hydrogen 2.979 N/A THR 176.A OG1 ASP 179.A OD2 no hydrogen 3.065 N/A GLU 178.A N THR 176.A OG1 no hydrogen 2.959 N/A ASP 179.A N THR 176.A OG1 no hydrogen 3.057 N/A ALA 180.A N THR 176.A O no hydrogen 3.099 N/A GLN 181.A N PRO 177.A O no hydrogen 2.677 N/A ASP 182.A N GLU 178.A O no hydrogen 3.058 N/A ILE 183.A N ASP 179.A O no hydrogen 3.250 N/A HIS 184.A N ALA 180.A O no hydrogen 3.107 N/A HIS 184.A ND1 ASP 224.A O no hydrogen 2.542 N/A ALA 185.A N GLN 181.A O no hydrogen 3.118 N/A SER 186.A N ASP 182.A O no hydrogen 3.360 N/A SER 186.A OG ASP 182.A O no hydrogen 3.404 N/A ILE 187.A N ILE 183.A O no hydrogen 3.153 N/A ARG 188.A N HIS 184.A O no hydrogen 2.696 N/A ARG 188.A NE ASP 224.A OD1 no hydrogen 2.660 N/A ARG 188.A NH1 ASP 224.A OD1 no hydrogen 3.527 N/A ARG 188.A NH1 ASP 226.A OD1 no hydrogen 2.838 N/A ARG 188.A NH2 ALA 200.A O no hydrogen 2.859 N/A ARG 188.A NH2 LEU 203.A O no hydrogen 2.878 N/A LYS 189.A N ALA 185.A O no hydrogen 3.030 N/A PHE 190.A N SER 186.A O no hydrogen 2.924 N/A LEU 191.A N ILE 187.A O no hydrogen 2.967 N/A ALA 192.A N ARG 188.A O no hydrogen 2.735 N/A SER 193.A N LYS 189.A O no hydrogen 3.331 N/A SER 193.A N PHE 190.A O no hydrogen 3.061 N/A SER 193.A OG PHE 190.A O no hydrogen 2.814 N/A LYS 194.A N LEU 191.A O no hydrogen 3.243 N/A LEU 195.A N LEU 191.A O no hydrogen 2.855 N/A GLY 196.A N ALA 192.A O no hydrogen 2.873 N/A ALA 200.A N GLY 196.A O no hydrogen 2.953 N/A SER 201.A N LYS 198.A O no hydrogen 2.925 N/A SER 201.A OG ASP 197.A O no hydrogen 3.294 N/A SER 201.A OG LYS 198.A O no hydrogen 2.681 N/A GLU 202.A N LYS 198.A O no hydrogen 3.338 N/A GLU 202.A N ALA 199.A O no hydrogen 3.266 N/A ARG 204.A NE THR 3.A O no hydrogen 3.382 N/A ARG 204.A NH1 GLU 36.A OE1 no hydrogen 2.785 N/A ILE 205.A N ASP 226.A OD1 no hydrogen 2.753 N/A LEU 206.A N VAL 161.A O no hydrogen 2.758 N/A TYR 207.A N GLY 227.A O no hydrogen 2.783 N/A GLY 208.A N TYR 163.A O no hydrogen 2.837 N/A ALA 211.A N GLY 209.A O no hydrogen 3.020 N/A GLY 213.A N GLU 238.A OE1 no hydrogen 2.724 N/A ASN 215.A N ASN 212.A OD1 no hydrogen 3.091 N/A ALA 216.A N ASN 212.A O no hydrogen 3.038 N/A THR 218.A N ASN 215.A O no hydrogen 2.520 N/A PHE 219.A N ALA 216.A O no hydrogen 3.350 N/A LYS 220.A N VAL 217.A O no hydrogen 2.750 N/A LYS 220.A NZ VAL 217.A O no hydrogen 2.802 N/A VAL 225.A N LYS 222.A O no hydrogen 3.176 N/A ASP 226.A N ILE 205.A O no hydrogen 3.080 N/A PHE 228.A N PHE 5.A O no hydrogen 2.989 N/A LEU 229.A N TYR 207.A O no hydrogen 2.995 N/A VAL 230.A N GLY 7.A O no hydrogen 2.851 N/A SER 234.A N GLY 231.A O no hydrogen 2.927 N/A SER 234.A OG ASN 9.A O no hydrogen 3.357 N/A SER 234.A OG GLY 231.A O no hydrogen 2.555 N/A LEU 235.A N GLY 232.A O no hydrogen 3.206 N/A LYS 236.A NZ GLU 238.A OE2 no hydrogen 2.937 N/A PHE 239.A N LYS 236.A O no hydrogen 3.302 N/A VAL 240.A N PRO 237.A O no hydrogen 3.141 N/A ASP 241.A N GLU 238.A O no hydrogen 2.745 N/A ILE 242.A N GLU 238.A O no hydrogen 3.290 N/A ILE 243.A N PHE 239.A O no hydrogen 3.174 N/A ASN 244.A N VAL 240.A O no hydrogen 3.102 N/A ASN 244.A ND2 SER 30.A O no hydrogen 3.449 N/A ASN 244.A ND2 VAL 240.A O no hydrogen 2.698 N/A SER 245.A N ILE 242.A O no hydrogen 2.971 N/A SER 245.A OG ILE 242.A O no hydrogen 2.404 N/A ARG 246.A NH1 VAL 225.A O no hydrogen 3.453 N/A ARG 246.A NH2 PHE 219.A O no hydrogen 2.561 N/A ARG 246.A NH2 VAL 225.A O no hydrogen 3.120 N/A