Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2grl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N PHE 2.A O no hydrogen 2.859 N/A GLY 5.A N ASP 38.A OD1 no hydrogen 2.711 N/A SER 6.A N ASP 38.A OD2 no hydrogen 3.136 N/A SER 6.A OG LYS 3.A O no hydrogen 3.083 N/A SER 6.A OG ASP 38.A OD2 no hydrogen 3.226 N/A LEU 8.A N ILE 4.A O no hydrogen 2.920 N/A LYS 9.A N GLY 5.A O no hydrogen 2.915 N/A GLN 10.A N SER 6.A O no hydrogen 2.751 N/A ILE 11.A N VAL 7.A O no hydrogen 2.830 N/A ARG 12.A N LEU 8.A O no hydrogen 2.673 N/A ARG 12.A NE TYR 17.A O no hydrogen 3.182 N/A ARG 12.A NH1 GLU 36.A OE1 no hydrogen 2.490 N/A GLN 13.A N LYS 9.A O no hydrogen 2.875 N/A GLU 14.A N GLN 10.A O no hydrogen 2.960 N/A LEU 15.A N ILE 11.A O no hydrogen 3.004 N/A ASN 16.A N GLN 13.A O no hydrogen 2.965 N/A TYR 17.A N ARG 12.A O no hydrogen 2.777 N/A HIS 18.A N ASP 21.A OD2 no hydrogen 2.703 N/A GLN 19.A NE2 GLU 36.A OE2 no hydrogen 3.542 N/A ASP 21.A N HIS 18.A O no hydrogen 2.674 N/A LEU 22.A N GLN 19.A O no hydrogen 2.724 N/A TYR 23.A N GLN 19.A O no hydrogen 3.085 N/A SER 24.A N ILE 20.A O no hydrogen 2.952 N/A ILE 26.A N TYR 23.A O no hydrogen 2.609 N/A MET 27.A N TYR 23.A O no hydrogen 3.115 N/A SER 28.A OG SER 30.A OG no hydrogen 2.653 N/A LYS 29.A NZ GLN 19.A OE1 no hydrogen 3.253 N/A SER 30.A OG SER 28.A OG no hydrogen 2.653 N/A VAL 31.A N SER 28.A OG no hydrogen 2.841 N/A TYR 32.A N SER 28.A O no hydrogen 2.945 N/A TYR 32.A OH GLU 36.A OE1 no hydrogen 2.555 N/A ILE 33.A N LYS 29.A O no hydrogen 2.947 N/A LYS 34.A N SER 30.A O no hydrogen 3.145 N/A VAL 35.A N VAL 31.A O no hydrogen 2.910 N/A GLU 36.A N TYR 32.A O no hydrogen 2.882 N/A ALA 37.A N ILE 33.A O no hydrogen 2.904 N/A ASP 38.A N VAL 35.A O no hydrogen 2.841 N/A SER 39.A N LYS 34.A O no hydrogen 2.941 N/A SER 39.A OG LYS 34.A O no hydrogen 3.281 N/A ARG 40.A NH1 GLU 46.A OE1 no hydrogen 3.434 N/A ARG 40.A NH1 GLU 46.A OE2 no hydrogen 2.923 N/A ARG 40.A NH2 GLU 46.A OE1 no hydrogen 3.257 N/A SER 43.A N GLU 46.A OE1 no hydrogen 2.751 N/A GLU 46.A N SER 43.A OG no hydrogen 2.861 N/A LEU 47.A N SER 43.A O no hydrogen 2.821 N/A SER 48.A N VAL 44.A O no hydrogen 2.941 N/A LYS 49.A N GLU 45.A O no hydrogen 3.098 N/A PHE 50.A N GLU 46.A O no hydrogen 2.952 N/A SER 51.A N LEU 47.A O no hydrogen 2.885 N/A SER 51.A OG VAL 56.A O no hydrogen 2.848 N/A GLU 52.A N SER 48.A O no hydrogen 3.143 N/A ARG 53.A N LYS 49.A O no hydrogen 2.921 N/A ARG 53.A NH1 ASP 21.A O no hydrogen 2.634 N/A ARG 53.A NH1 SER 24.A O no hydrogen 3.448 N/A ARG 53.A NH2 SER 24.A O no hydrogen 2.752 N/A LEU 54.A N PHE 50.A O no hydrogen 2.822 N/A GLY 55.A N SER 51.A O no hydrogen 2.975 N/A GLY 55.A N GLU 52.A O no hydrogen 3.179 N/A ILE 61.A N ASN 57.A O no hydrogen 2.898 N/A LEU 62.A N PHE 58.A O no hydrogen 2.999 N/A ASN 63.A N PHE 59.A O no hydrogen 2.908 N/A ARG 64.A N GLU 60.A O no hydrogen 2.879 N/A ARG 64.A NE GLU 60.A OE1 no hydrogen 3.027 N/A ARG 64.A NH2 GLU 60.A OE1 no hydrogen 3.180 N/A ALA 65.A N ILE 61.A O no hydrogen 2.915 N/A ALA 65.A N LEU 62.A O no hydrogen 2.856 N/A GLY 66.A N LEU 62.A O no hydrogen 3.112 N/A GLY 66.A N ASN 63.A O no hydrogen 2.960 N/A MET 67.A N LEU 62.A O no hydrogen 3.307 N/A ASN 68.A ND2 ASN 63.A OD1 no hydrogen 3.153 N/A THR 69.A N ASN 68.A OD1 no hydrogen 2.726 N/A THR 69.A OG1 ASN 68.A OD1 no hydrogen 3.202 N/A ASN 73.A N LYS 70.A O no hydrogen 3.318 N/A GLY 76.A N ASN 73.A O no hydrogen 2.967 N/A GLY 76.A N ASN 73.A OD1 no hydrogen 2.908 N/A LYS 77.A N ASN 73.A O no hydrogen 3.321 N/A GLU 78.A N GLU 74.A O no hydrogen 3.063 N/A LYS 79.A N THR 75.A O no hydrogen 3.093 N/A LYS 79.A NZ GLN 108.A OE1 no hydrogen 2.778 N/A LYS 79.A NZ GLU 154.A OE1 no hydrogen 3.511 N/A LYS 79.A NZ GLU 154.A OE2 no hydrogen 2.636 N/A LEU 80.A N GLY 76.A O no hydrogen 2.997 N/A LEU 81.A N LYS 77.A O no hydrogen 2.766 N/A ILE 82.A N GLU 78.A O no hydrogen 3.271 N/A ILE 82.A N LYS 79.A O no hydrogen 3.164 N/A SER 83.A OG LEU 80.A O no hydrogen 2.891 N/A ILE 85.A N LEU 81.A O no hydrogen 2.998 N/A PHE 86.A N ILE 82.A O no hydrogen 2.794 N/A THR 87.A N SER 83.A O no hydrogen 3.445 N/A THR 87.A OG1 LYS 84.A O no hydrogen 2.925 N/A ASN 88.A N LYS 84.A O no hydrogen 3.001 N/A LEU 91.A N ASN 88.A O no hydrogen 2.750 N/A LYS 94.A NZ ASP 90.A O no hydrogen 2.475 N/A ASN 95.A ND2 PHE 92.A O no hydrogen 3.646 N/A PHE 96.A N PHE 92.A O no hydrogen 3.161 N/A GLN 97.A N ASP 93.A O no hydrogen 3.175 N/A GLN 97.A NE2 LYS 94.A O no hydrogen 3.053 N/A ARG 98.A N ASN 95.A O no hydrogen 2.460 N/A ARG 98.A NE GLU 78.A OE1 no hydrogen 3.310 N/A ARG 98.A NH2 GLU 78.A OE1 no hydrogen 3.507 N/A ARG 98.A NH2 GLU 78.A OE2 no hydrogen 3.202 N/A ARG 98.A NH2 ASN 95.A OD1 no hydrogen 3.447 N/A ILE 99.A N ASN 95.A O no hydrogen 3.021 N/A GLU 100.A N PHE 96.A O no hydrogen 2.993 N/A LYS 102.A N ILE 99.A O no hydrogen 2.604 N/A ARG 103.A N GLU 100.A O no hydrogen 3.303 N/A ARG 103.A NE ASP 137.A OD1 no hydrogen 2.538 N/A ARG 103.A NH1 GLU 100.A O no hydrogen 3.189 N/A THR 105.A N LYS 102.A O no hydrogen 2.757 N/A THR 105.A OG1 LYS 102.A O no hydrogen 2.814 N/A TYR 109.A N SER 106.A OG no hydrogen 3.207 N/A TYR 109.A OH GLU 74.A OE2 no hydrogen 3.170 N/A PHE 110.A N SER 106.A O no hydrogen 3.047 N/A SER 111.A N LEU 107.A O no hydrogen 3.125 N/A SER 111.A OG GLU 154.A OE2 no hydrogen 2.813 N/A ILE 112.A N GLN 108.A O no hydrogen 3.191 N/A TYR 113.A N TYR 109.A O no hydrogen 2.810 N/A LEU 114.A N PHE 110.A O no hydrogen 2.904 N/A GLY 115.A N ILE 112.A O no hydrogen 2.530 N/A TYR 116.A N ILE 112.A O no hydrogen 3.024 N/A ILE 117.A N TYR 113.A O no hydrogen 3.049 N/A SER 118.A N LEU 114.A O no hydrogen 3.067 N/A SER 118.A N GLY 115.A O no hydrogen 3.004 N/A ILE 119.A N GLY 115.A O no hydrogen 3.189 N/A ALA 120.A N TYR 116.A O no hydrogen 3.037 N/A HIS 121.A N ILE 117.A O no hydrogen 3.169 N/A HIS 122.A N SER 118.A O no hydrogen 3.275 N/A HIS 122.A N ILE 119.A O no hydrogen 2.849 N/A TYR 123.A N ILE 119.A O no hydrogen 3.030 N/A TYR 123.A OH PHE 86.A O no hydrogen 2.690 N/A ILE 125.A N ALA 120.A O no hydrogen 3.006 N/A THR 129.A OG1 GLU 100.A OE2 no hydrogen 3.267 N/A LYS 132.A N PRO 128.A O no hydrogen 3.209 N/A LYS 132.A N THR 129.A O no hydrogen 3.291 N/A THR 133.A N PHE 130.A O no hydrogen 2.911 N/A THR 133.A OG1 THR 129.A O no hydrogen 2.717 N/A THR 133.A OG1 PHE 130.A O no hydrogen 3.321 N/A ILE 134.A N PHE 130.A O no hydrogen 3.043 N/A ASP 137.A N THR 133.A O no hydrogen 2.770 N/A LEU 138.A N ILE 134.A O no hydrogen 2.691 N/A LYS 139.A N THR 135.A O no hydrogen 3.105 N/A HIS 140.A N SER 136.A O no hydrogen 2.863 N/A LEU 141.A N ASP 137.A O no hydrogen 2.795 N/A TYR 142.A N LEU 138.A O no hydrogen 2.838 N/A TYR 142.A OH ASP 152.A OD2 no hydrogen 2.713 N/A ASP 143.A N LYS 139.A O no hydrogen 2.937 N/A ARG 145.A N TYR 142.A O no hydrogen 3.329 N/A ARG 145.A NH1 ASP 152.A OD1 no hydrogen 3.317 N/A ARG 145.A NH1 ASP 152.A OD2 no hydrogen 3.065 N/A ARG 145.A NH2 THR 147.A O no hydrogen 2.812 N/A ARG 145.A NH2 ASP 152.A OD1 no hydrogen 2.632 N/A PHE 149.A N ASP 152.A OD1 no hydrogen 3.070 N/A ASP 152.A N PHE 149.A O no hydrogen 2.870 N/A TYR 153.A N PHE 149.A O no hydrogen 3.457 N/A TYR 153.A OH MET 175.A O no hydrogen 2.603 N/A GLU 154.A N GLY 150.A O no hydrogen 2.893 N/A ILE 155.A N ILE 151.A O no hydrogen 2.825 N/A VAL 156.A N ASP 152.A O no hydrogen 2.862 N/A SER 157.A N TYR 153.A O no hydrogen 2.978 N/A ASN 158.A N GLU 154.A O no hydrogen 3.148 N/A LEU 159.A N ILE 155.A O no hydrogen 2.740 N/A LEU 160.A N VAL 156.A O no hydrogen 2.930 N/A ASN 161.A N ASN 158.A O no hydrogen 2.895 N/A VAL 162.A N LEU 159.A O no hydrogen 3.011 N/A TYR 165.A OH GLU 209.A OE2 no hydrogen 2.486 N/A TYR 165.A OH TYR 213.A OH no hydrogen 2.589 N/A GLU 167.A N PRO 164.A O no hydrogen 2.912 N/A VAL 168.A N TYR 165.A O no hydrogen 2.744 N/A SER 169.A N TYR 165.A O no hydrogen 2.861 N/A SER 169.A OG GLU 166.A O no hydrogen 3.276 N/A ILE 171.A N VAL 168.A O no hydrogen 2.814 N/A ILE 172.A N VAL 168.A O no hydrogen 3.331 N/A ILE 172.A N SER 169.A O no hydrogen 2.859 N/A LYS 173.A N SER 169.A O no hydrogen 3.195 N/A LYS 173.A NZ GLU 209.A OE1 no hydrogen 2.960 N/A LYS 173.A NZ GLU 209.A OE2 no hydrogen 3.429 N/A MET 175.A N ILE 172.A O no hydrogen 2.514 N/A TYR 176.A OH ILE 190.A O no hydrogen 2.619 N/A SER 181.A OG ASP 187.A OD1 no hydrogen 3.005 N/A SER 181.A OG ASP 187.A OD2 no hydrogen 2.669 N/A SER 181.A OG ASN 225.A O no hydrogen 3.309 N/A ASP 187.A N GLY 183.A O no hydrogen 2.866 N/A LEU 188.A N LYS 184.A O no hydrogen 2.810 N/A THR 189.A N ASP 185.A O no hydrogen 3.201 N/A THR 189.A OG1 ASP 185.A O no hydrogen 3.500 N/A THR 189.A OG1 TYR 186.A O no hydrogen 3.070 N/A ILE 190.A N TYR 186.A O no hydrogen 3.109 N/A GLN 191.A N ASP 187.A O no hydrogen 3.195 N/A GLN 191.A NE2 ASP 187.A O no hydrogen 3.317 N/A GLN 191.A NE2 SER 227.A O no hydrogen 2.868 N/A THR 192.A N LEU 188.A O no hydrogen 2.976 N/A THR 192.A OG1 LEU 188.A O no hydrogen 2.897 N/A THR 192.A OG1 TYR 232.A OH no hydrogen 2.734 N/A VAL 193.A N THR 189.A O no hydrogen 3.207 N/A LYS 195.A N GLN 191.A O no hydrogen 2.919 N/A LYS 195.A NZ ASN 196.A OD1 no hydrogen 3.213 N/A ASN 196.A N THR 192.A O no hydrogen 2.897 N/A ALA 197.A N VAL 193.A O no hydrogen 2.727 N/A LEU 198.A N LEU 194.A O no hydrogen 2.670 N/A THR 199.A N LYS 195.A O no hydrogen 2.998 N/A THR 199.A OG1 LYS 195.A O no hydrogen 2.917 N/A ILE 200.A N ASN 196.A O no hydrogen 2.960 N/A SER 201.A N ALA 197.A O no hydrogen 2.894 N/A SER 201.A OG ALA 197.A O no hydrogen 2.990 N/A ILE 202.A N LEU 198.A O no hydrogen 2.916 N/A MET 203.A N THR 199.A O no hydrogen 2.962 N/A ASN 204.A N ILE 200.A O no hydrogen 2.920 N/A ARG 205.A N ILE 202.A O no hydrogen 2.829 N/A ARG 205.A NH2 ILE 283.A O no hydrogen 2.521 N/A GLU 209.A N ASN 206.A OD1 no hydrogen 3.006 N/A ALA 210.A N ASN 206.A O no hydrogen 2.912 N/A GLN 211.A N LEU 207.A O no hydrogen 2.987 N/A TYR 212.A N LYS 208.A O no hydrogen 3.143 N/A TYR 213.A N GLU 209.A O no hydrogen 3.048 N/A TYR 213.A OH TYR 165.A OH no hydrogen 2.589 N/A ILE 214.A N ALA 210.A O no hydrogen 3.105 N/A ASN 215.A N GLN 211.A O no hydrogen 3.131 N/A GLN 216.A N TYR 212.A O no hydrogen 2.938 N/A PHE 217.A N TYR 213.A O no hydrogen 2.943 N/A GLU 218.A N ILE 214.A O no hydrogen 2.902 N/A HIS 219.A N ASN 215.A O no hydrogen 2.778 N/A HIS 219.A NE2 ILE 178.A O no hydrogen 2.964 N/A LEU 220.A N GLN 216.A O no hydrogen 3.207 N/A LYS 221.A NZ GLU 218.A OE1 no hydrogen 3.375 N/A LYS 221.A NZ ASP 233.A OD2 no hydrogen 3.168 N/A THR 222.A N HIS 219.A O no hydrogen 2.857 N/A THR 222.A OG1 HIS 219.A ND1 no hydrogen 3.241 N/A THR 222.A OG1 HIS 219.A O no hydrogen 2.635 N/A ILE 223.A N LEU 220.A O no hydrogen 2.845 N/A ILE 226.A N ILE 223.A O no hydrogen 3.140 N/A SER 227.A N ASP 187.A OD1 no hydrogen 2.884 N/A ASN 229.A N GLN 191.A OE1 no hydrogen 2.756 N/A TYR 232.A N ASN 229.A OD1 no hydrogen 2.964 N/A TYR 232.A OH THR 192.A OG1 no hydrogen 2.734 N/A ASP 233.A N ASN 229.A O no hydrogen 2.743 N/A LEU 234.A N GLY 230.A O no hydrogen 2.867 N/A GLU 235.A N TYR 231.A O no hydrogen 2.984 N/A ILE 236.A N TYR 232.A O no hydrogen 2.712 N/A ASN 237.A N ASP 233.A O no hydrogen 2.883 N/A ASN 237.A ND2 ASP 233.A O no hydrogen 3.593 N/A ASN 237.A ND2 ASP 233.A OD2 no hydrogen 3.238 N/A TYR 238.A N LEU 234.A O no hydrogen 2.922 N/A TYR 238.A N GLU 235.A O no hydrogen 3.111 N/A TYR 238.A OH GLU 279.A OE1 no hydrogen 3.272 N/A LEU 239.A N GLU 235.A O no hydrogen 3.006 N/A LYS 240.A N ILE 236.A O no hydrogen 2.840 N/A GLN 241.A N ASN 237.A O no hydrogen 3.046 N/A ILE 242.A N TYR 238.A O no hydrogen 3.002 N/A TYR 243.A N LEU 239.A O no hydrogen 2.806 N/A GLN 244.A N LYS 240.A O no hydrogen 2.842 N/A PHE 245.A N GLN 241.A O no hydrogen 2.974 N/A LEU 246.A N ILE 242.A O no hydrogen 2.787 N/A THR 247.A N TYR 243.A O no hydrogen 3.042 N/A THR 247.A OG1 TYR 243.A O no hydrogen 3.334 N/A THR 247.A OG1 GLN 244.A O no hydrogen 3.363 N/A ASP 248.A N THR 247.A OG1 no hydrogen 2.699 N/A ASN 250.A ND2 SER 253.A OG no hydrogen 3.276 N/A SER 253.A N ASN 250.A O no hydrogen 3.176 N/A SER 253.A OG GLN 241.A OE1 no hydrogen 3.488 N/A LEU 255.A N ILE 251.A O no hydrogen 3.112 N/A ASN 256.A N ASP 252.A O no hydrogen 2.923 N/A ALA 257.A N SER 253.A O no hydrogen 2.847 N/A VAL 258.A N TYR 254.A O no hydrogen 3.038 N/A ASN 259.A N LEU 255.A O no hydrogen 2.884 N/A ILE 260.A N ASN 256.A O no hydrogen 2.925 N/A ILE 261.A N ALA 257.A O no hydrogen 3.001 N/A ASN 262.A N VAL 258.A O no hydrogen 2.928 N/A ILE 263.A N ASN 259.A O no hydrogen 2.892 N/A PHE 264.A N ILE 260.A O no hydrogen 3.218 N/A ILE 266.A N ASN 262.A O no hydrogen 2.922 N/A ILE 267.A N ILE 263.A O no hydrogen 2.845 N/A GLY 268.A N LYS 265.A O no hydrogen 3.171 N/A LYS 269.A N PHE 264.A O no hydrogen 2.831 N/A GLU 270.A N GLY 268.A O no hydrogen 2.594 N/A HIS 273.A N LYS 269.A O no hydrogen 2.877 N/A ARG 274.A N GLU 270.A O no hydrogen 2.877 N/A SER 275.A N ASP 271.A O no hydrogen 2.993 N/A SER 275.A OG ASP 271.A O no hydrogen 2.885 N/A LEU 276.A N ILE 272.A O no hydrogen 2.931 N/A VAL 277.A N HIS 273.A O no hydrogen 2.949 N/A GLU 278.A N ARG 274.A O no hydrogen 2.984 N/A GLU 279.A N SER 275.A O no hydrogen 2.790 N/A LEU 280.A N LEU 276.A O no hydrogen 2.725 N/A LEU 280.A N VAL 277.A O no hydrogen 3.023 N/A THR 281.A N VAL 277.A O no hydrogen 2.797 N/A THR 281.A OG1 VAL 277.A O no hydrogen 2.819 N/A LYS 282.A N GLU 278.A O no hydrogen 3.085 N/A ILE 283.A N GLU 279.A O no hydrogen 3.028 N/A SER 284.A N LEU 280.A O no hydrogen 3.075 N/A SER 284.A N THR 281.A O no hydrogen 3.055 N/A SER 284.A OG LEU 280.A O no hydrogen 3.522 N/A