Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4s2k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N GLY 31.A O no hydrogen 2.971 N/A ASN 5.A N THR 33.A O no hydrogen 2.623 N/A SER 7.A OG ASN 5.A OD1 no hydrogen 2.642 N/A TRP 8.A N ASN 5.A O no hydrogen 3.453 N/A TRP 8.A NE1 GLU 238.A OE2 no hydrogen 2.664 N/A ASN 9.A N LYS 6.A O no hydrogen 3.153 N/A ALA 10.A N SER 7.A O no hydrogen 3.225 N/A HIS 11.A N TRP 8.A O no hydrogen 3.019 N/A HIS 11.A NE2 GLN 237.A OE1 no hydrogen 2.583 N/A THR 13.A N ASN 9.A O no hydrogen 2.776 N/A THR 13.A OG1 ASN 9.A O no hydrogen 3.212 N/A GLU 14.A N ALA 10.A O no hydrogen 2.789 N/A HIS 15.A N PHE 12.A O no hydrogen 3.035 N/A HIS 15.A NE2 GLU 233.A OE1 no hydrogen 2.567 N/A LYS 16.A N THR 13.A O no hydrogen 3.056 N/A SER 17.A N PHE 12.A O no hydrogen 2.981 N/A SER 17.A OG HIS 15.A O no hydrogen 2.877 N/A GLN 18.A NE2 ASP 217.A OD2 no hydrogen 2.812 N/A VAL 20.A N ASN 215.A O no hydrogen 2.800 N/A VAL 21.A N ASN 34.A OD1 no hydrogen 2.838 N/A VAL 22.A N ALA 213.A O no hydrogen 2.758 N/A LEU 23.A N PHE 32.A O no hydrogen 2.715 N/A TRP 24.A N PHE 211.A O no hydrogen 2.773 N/A ASN 25.A N GLN 30.A O no hydrogen 2.873 N/A GLU 26.A N VAL 209.A O no hydrogen 3.005 N/A ASN 27.A N ASN 208.A OD1 no hydrogen 2.948 N/A ASN 27.A ND2 ASP 207.A O no hydrogen 2.613 N/A LYS 28.A N ASN 25.A OD1 no hydrogen 3.029 N/A GLN 29.A N ASN 25.A O no hydrogen 2.785 N/A GLN 29.A NE2 GLU 26.A O no hydrogen 2.706 N/A GLN 30.A N ASN 25.A O no hydrogen 3.370 N/A GLY 31.A N GLU 1.A O no hydrogen 2.706 N/A PHE 32.A N LEU 23.A O no hydrogen 2.828 N/A THR 33.A N GLN 3.A O no hydrogen 3.155 N/A THR 33.A OG1 VAL 21.A O no hydrogen 2.888 N/A THR 33.A OG1 ASN 35.A O no hydrogen 3.513 N/A ASN 34.A ND2 ASN 9.A OD1 no hydrogen 2.977 N/A ASN 34.A ND2 GLY 19.A O no hydrogen 3.118 N/A ASN 35.A N THR 33.A OG1 no hydrogen 3.417 N/A LEU 36.A N GLU 4.A OE1 no hydrogen 2.925 N/A ARG 38.A N ASN 35.A OD1 no hydrogen 2.991 N/A ARG 38.A NE ASN 215.A OD1 no hydrogen 2.799 N/A ARG 38.A NH1 ASN 215.A OD1 no hydrogen 3.277 N/A ARG 38.A NH1 ASP 217.A OD1 no hydrogen 2.824 N/A ARG 38.A NH2 ASP 217.A OD1 no hydrogen 2.746 N/A ALA 39.A N ASN 35.A O no hydrogen 2.901 N/A ASN 40.A N LEU 36.A O no hydrogen 3.286 N/A ASN 40.A N LYS 37.A O no hydrogen 3.281 N/A ASN 40.A ND2 LEU 36.A O no hydrogen 3.045 N/A GLN 41.A N ARG 38.A O no hydrogen 2.960 N/A PHE 43.A N ILE 141.A O no hydrogen 2.829 N/A ALA 46.A N TRP 134.A O no hydrogen 2.927 N/A SER 47.A OG SER 95.A OG no hydrogen 3.108 N/A THR 48.A N PRO 45.A O no hydrogen 3.082 N/A THR 48.A OG1 PRO 45.A O no hydrogen 2.560 N/A PHE 49.A N ALA 46.A O no hydrogen 3.003 N/A LYS 50.A N SER 47.A O no hydrogen 3.032 N/A LYS 50.A NZ SER 95.A OG no hydrogen 2.758 N/A ILE 51.A N THR 48.A O no hydrogen 3.230 N/A ASN 53.A N PHE 49.A O no hydrogen 2.949 N/A ASN 53.A ND2 TYR 100.A O no hydrogen 3.115 N/A SER 54.A N LYS 50.A O no hydrogen 2.944 N/A SER 54.A OG LYS 50.A O no hydrogen 2.521 N/A SER 54.A OG TYR 100.A OH no hydrogen 2.661 N/A LEU 55.A N ILE 51.A O no hydrogen 3.158 N/A ILE 56.A N PRO 52.A O no hydrogen 2.986 N/A ALA 57.A N ASN 53.A O no hydrogen 2.937 N/A LEU 58.A N SER 54.A O no hydrogen 2.873 N/A ASP 59.A N LEU 55.A O no hydrogen 3.021 N/A LEU 60.A N ILE 56.A O no hydrogen 2.961 N/A GLY 61.A N LEU 58.A O no hydrogen 3.138 N/A VAL 63.A N ALA 57.A O no hydrogen 3.059 N/A LYS 64.A N GLN 68.A OE1 no hydrogen 2.778 N/A GLU 66.A N GLU 66.A OE2 no hydrogen 2.639 N/A HIS 67.A N ASP 65.A OD1 no hydrogen 2.934 N/A GLN 68.A N ASP 65.A O no hydrogen 3.454 N/A PHE 70.A N HIS 86.A O no hydrogen 2.604 N/A TRP 72.A N ASP 85.A OD1 no hydrogen 2.870 N/A TRP 72.A NE1 GLN 75.A O no hydrogen 2.777 N/A GLN 75.A N ASP 73.A OD1 no hydrogen 3.122 N/A ARG 77.A N ASN 83.A OD1 no hydrogen 2.859 N/A ARG 77.A NH1 ASP 73.A OD1 no hydrogen 3.529 N/A ARG 77.A NH1 ASP 73.A OD2 no hydrogen 2.697 N/A ARG 77.A NH2 ASP 73.A OD1 no hydrogen 2.824 N/A ARG 77.A NH2 ASP 73.A OD2 no hydrogen 3.536 N/A TRP 82.A N ILE 79.A O no hydrogen 3.049 N/A TRP 82.A NE1 TYR 94.A O no hydrogen 2.885 N/A ASN 83.A N ALA 80.A O no hydrogen 3.138 N/A ASN 83.A ND2 ARG 77.A O no hydrogen 3.146 N/A HIS 86.A N PHE 70.A O no hydrogen 3.067 N/A HIS 86.A ND1 THR 90.A OG1 no hydrogen 2.616 N/A HIS 86.A NE2 THR 81.A O no hydrogen 2.582 N/A ASN 87.A N THR 90.A OG1 no hydrogen 3.337 N/A THR 90.A N ASN 87.A OD1 no hydrogen 2.990 N/A THR 90.A OG1 HIS 86.A ND1 no hydrogen 2.616 N/A THR 90.A OG1 ASN 87.A OD1 no hydrogen 3.448 N/A ALA 91.A N ASN 87.A O no hydrogen 2.903 N/A MET 92.A N LEU 88.A O no hydrogen 3.000 N/A LYS 93.A N ILE 89.A O no hydrogen 3.000 N/A LYS 93.A NZ TYR 94.A OH no hydrogen 3.481 N/A TYR 94.A N THR 90.A O no hydrogen 2.775 N/A SER 95.A N MET 92.A O no hydrogen 3.182 N/A VAL 96.A N ALA 91.A O no hydrogen 2.775 N/A VAL 99.A N VAL 96.A O no hydrogen 3.258 N/A TYR 100.A N VAL 96.A O no hydrogen 3.438 N/A TYR 100.A OH SER 54.A OG no hydrogen 2.661 N/A GLN 101.A N VAL 97.A O no hydrogen 2.901 N/A GLN 101.A NE2 ASP 131.A O no hydrogen 3.269 N/A GLU 102.A N PRO 98.A O no hydrogen 3.098 N/A PHE 103.A N VAL 99.A O no hydrogen 3.111 N/A ALA 104.A N TYR 100.A O no hydrogen 3.068 N/A ARG 105.A N GLN 101.A O no hydrogen 3.080 N/A ARG 105.A NH1 ASP 131.A OD2 no hydrogen 2.742 N/A ARG 105.A NH2 GLU 102.A OE1 no hydrogen 2.810 N/A GLN 106.A N GLU 102.A O no hydrogen 3.012 N/A GLN 106.A NE2 GLU 102.A OE2 no hydrogen 2.817 N/A ILE 107.A N PHE 103.A O no hydrogen 2.788 N/A GLY 108.A N ALA 104.A O no hydrogen 2.920 N/A ARG 111.A NE ILE 107.A O no hydrogen 2.936 N/A ARG 111.A NH1 ILE 107.A O no hydrogen 3.110 N/A MET 112.A N GLY 108.A O no hydrogen 3.015 N/A SER 113.A N GLU 109.A O no hydrogen 2.969 N/A LYS 114.A N ALA 110.A O no hydrogen 3.122 N/A MET 115.A N ARG 111.A O no hydrogen 2.830 N/A LEU 116.A N MET 112.A O no hydrogen 2.949 N/A HIS 117.A N SER 113.A O no hydrogen 3.004 N/A HIS 117.A ND1 GLU 124.A OE1 no hydrogen 2.557 N/A ALA 118.A N LYS 114.A O no hydrogen 3.335 N/A PHE 119.A N MET 115.A O no hydrogen 3.295 N/A PHE 119.A N LEU 116.A O no hydrogen 3.080 N/A ASP 120.A N HIS 117.A O no hydrogen 2.813 N/A TYR 121.A N LEU 116.A O no hydrogen 3.215 N/A ASN 123.A N ARG 140.A O no hydrogen 2.840 N/A ASN 123.A ND2 GLY 138.A O no hydrogen 2.853 N/A GLU 124.A N TYR 121.A O no hydrogen 2.875 N/A ASP 125.A N ASN 123.A OD1 no hydrogen 3.180 N/A SER 127.A N ASP 125.A OD2 no hydrogen 3.151 N/A SER 127.A OG ASP 125.A OD2 no hydrogen 2.680 N/A ASN 129.A ND2 SER 132.A OG no hydrogen 3.289 N/A SER 132.A N ASN 129.A O no hydrogen 3.051 N/A SER 132.A OG ASP 136.A OD1 no hydrogen 2.696 N/A PHE 133.A N ASN 129.A O no hydrogen 2.859 N/A LEU 135.A N SER 132.A O no hydrogen 2.778 N/A ASP 136.A N SER 132.A O no hydrogen 3.010 N/A GLY 137.A N PHE 133.A O no hydrogen 2.986 N/A GLY 138.A N SER 127.A O no hydrogen 2.796 N/A ARG 140.A N ASN 123.A OD1 no hydrogen 2.965 N/A ARG 140.A NH1 GLY 137.A O no hydrogen 2.790 N/A ARG 140.A NH1 ILE 139.A O no hydrogen 2.745 N/A ARG 140.A NH2 GLY 137.A O no hydrogen 3.557 N/A ILE 141.A N PHE 43.A O no hydrogen 2.751 N/A SER 142.A N GLU 145.A OE1 no hydrogen 3.053 N/A SER 142.A OG THR 144.A OG1 no hydrogen 3.272 N/A THR 144.A N ALA 39.A O no hydrogen 2.959 N/A THR 144.A OG1 ALA 39.A O no hydrogen 3.540 N/A THR 144.A OG1 ASN 40.A OD1 no hydrogen 2.618 N/A THR 144.A OG1 SER 142.A OG no hydrogen 3.272 N/A GLU 145.A N SER 142.A OG no hydrogen 2.967 N/A GLN 146.A N SER 142.A O no hydrogen 2.923 N/A GLN 146.A NE2 THR 48.A OG1 no hydrogen 2.829 N/A ILE 147.A N ALA 143.A O no hydrogen 3.195 N/A SER 148.A N THR 144.A O no hydrogen 3.071 N/A PHE 149.A N GLU 145.A O no hydrogen 2.986 N/A LEU 150.A N GLN 146.A O no hydrogen 2.773 N/A ARG 151.A N ILE 147.A O no hydrogen 2.779 N/A ARG 151.A NE GLU 26.A OE2 no hydrogen 2.591 N/A ARG 151.A NH1 GLU 26.A OE1 no hydrogen 3.075 N/A LYS 152.A N SER 148.A O no hydrogen 3.427 N/A LEU 153.A N PHE 149.A O no hydrogen 3.100 N/A TYR 154.A N LEU 150.A O no hydrogen 2.795 N/A HIS 155.A N ARG 151.A O no hydrogen 3.124 N/A HIS 155.A NE2 GLU 26.A OE1 no hydrogen 2.636 N/A ASN 156.A N LEU 153.A O no hydrogen 3.114 N/A LYS 157.A N LYS 152.A O no hydrogen 2.820 N/A LEU 158.A N GLN 165.A OE1 no hydrogen 3.147 N/A SER 161.A N ASP 59.A OD1 no hydrogen 3.053 N/A SER 161.A N ASP 59.A OD2 no hydrogen 3.265 N/A SER 161.A OG ASP 59.A OD1 no hydrogen 2.676 N/A SER 161.A OG SER 164.A OG no hydrogen 2.976 N/A ARG 163.A NH1 LYS 64.A O no hydrogen 2.685 N/A ARG 163.A NH2 LYS 64.A O no hydrogen 3.436 N/A SER 164.A N SER 161.A OG no hydrogen 2.975 N/A SER 164.A OG ASP 59.A OD1 no hydrogen 2.666 N/A SER 164.A OG SER 161.A OG no hydrogen 2.976 N/A GLN 165.A N SER 161.A O no hydrogen 3.250 N/A GLN 165.A NE2 ASN 156.A O no hydrogen 3.321 N/A GLN 165.A NE2 LEU 158.A O no hydrogen 3.345 N/A GLN 165.A NE2 SER 161.A O no hydrogen 3.256 N/A ARG 166.A N GLU 162.A O no hydrogen 2.832 N/A ARG 166.A NE GLU 162.A OE2 no hydrogen 2.723 N/A ARG 166.A NH2 GLU 162.A OE2 no hydrogen 3.306 N/A ILE 167.A N ARG 163.A O no hydrogen 2.983 N/A VAL 168.A N SER 164.A O no hydrogen 3.148 N/A LYS 169.A N GLN 165.A O no hydrogen 3.100 N/A LYS 169.A NZ LEU 153.A O no hydrogen 2.963 N/A LYS 169.A NZ TYR 154.A O no hydrogen 2.786 N/A LYS 169.A NZ ASN 156.A OD1 no hydrogen 2.737 N/A GLN 170.A N ARG 166.A O no hydrogen 2.940 N/A ALA 171.A N ILE 167.A O no hydrogen 2.842 N/A LEU 173.A N GLN 170.A O no hydrogen 3.100 N/A THR 174.A N ILE 182.A O no hydrogen 2.991 N/A THR 174.A OG1 MET 172.A O no hydrogen 2.866 N/A GLU 175.A N ILE 182.A O no hydrogen 3.318 N/A ASN 177.A N TYR 180.A O no hydrogen 3.037 N/A ASP 179.A N ASN 177.A OD1 no hydrogen 2.957 N/A TYR 180.A N ASN 177.A OD1 no hydrogen 3.060 N/A TYR 180.A OH GLU 175.A OE2 no hydrogen 2.947 N/A ILE 181.A N GLU 204.A O no hydrogen 3.079 N/A ILE 182.A N GLU 175.A O no hydrogen 2.685 N/A ARG 183.A N TRP 202.A O no hydrogen 3.113 N/A ARG 183.A NE GLU 204.A OE1 no hydrogen 2.592 N/A ARG 183.A NH1 LYS 169.A O no hydrogen 2.813 N/A ALA 184.A N MET 172.A O no hydrogen 2.969 N/A LYS 185.A N VAL 200.A O no hydrogen 2.734 N/A LYS 185.A NZ SER 95.A OG no hydrogen 2.815 N/A LYS 185.A NZ THR 186.A O no hydrogen 2.895 N/A GLY 187.A N TRP 198.A O no hydrogen 3.075 N/A TYR 188.A OH MET 218.A O no hydrogen 3.276 N/A SER 189.A N ILE 196.A O no hydrogen 2.805 N/A ARG 191.A NH1 ASP 136.A OD2 no hydrogen 2.925 N/A LYS 195.A N GLU 193.A OE2 no hydrogen 2.957 N/A LYS 195.A NZ GLU 193.A OE1 no hydrogen 2.763 N/A ILE 196.A N SER 189.A O no hydrogen 3.073 N/A GLY 197.A N MET 216.A O no hydrogen 2.766 N/A TRP 198.A N GLY 187.A O no hydrogen 2.768 N/A TRP 198.A NE1 LEU 44.A O no hydrogen 2.717 N/A TRP 199.A N MET 214.A O no hydrogen 3.002 N/A VAL 200.A N LYS 185.A O no hydrogen 3.091 N/A GLY 201.A N PHE 212.A O no hydrogen 2.878 N/A TRP 202.A N ARG 183.A O no hydrogen 2.791 N/A TRP 202.A NE1 GLU 204.A OE1 no hydrogen 3.165 N/A VAL 203.A N TRP 210.A O no hydrogen 2.762 N/A GLU 204.A N ILE 181.A O no hydrogen 2.678 N/A LEU 205.A N ASN 208.A O no hydrogen 2.884 N/A ASN 208.A ND2 ASN 25.A OD1 no hydrogen 2.804 N/A VAL 209.A N ASN 208.A OD1 no hydrogen 2.840 N/A TRP 210.A N VAL 203.A O no hydrogen 2.944 N/A PHE 211.A N TRP 24.A O no hydrogen 2.809 N/A PHE 212.A N GLY 201.A O no hydrogen 2.739 N/A ALA 213.A N VAL 22.A O no hydrogen 3.021 N/A MET 214.A N TRP 199.A O no hydrogen 2.793 N/A ASN 215.A N VAL 20.A O no hydrogen 3.022 N/A MET 216.A N GLY 197.A O no hydrogen 2.901 N/A ASP 217.A N GLN 18.A O no hydrogen 2.878 N/A MET 218.A N LYS 195.A O no hydrogen 2.844 N/A THR 220.A OG1 ASP 222.A OD2 no hydrogen 3.097 N/A LEU 224.A N SER 221.A O no hydrogen 3.364 N/A LEU 226.A N GLY 223.A O no hydrogen 2.827 N/A ARG 227.A N LEU 224.A O no hydrogen 3.204 N/A ARG 227.A NE LEU 224.A O no hydrogen 2.837 N/A ARG 227.A NH2 GLY 187.A O no hydrogen 2.804 N/A GLN 228.A N GLN 228.A OE1 no hydrogen 2.871 N/A ALA 229.A N GLY 225.A O no hydrogen 3.171 N/A ILE 230.A N LEU 226.A O no hydrogen 2.858 N/A THR 231.A OG1 ARG 227.A O no hydrogen 2.603 N/A LYS 232.A N GLN 228.A O no hydrogen 2.787 N/A LYS 232.A NZ GLU 175.A OE1 no hydrogen 2.689 N/A GLU 233.A N ALA 229.A O no hydrogen 3.028 N/A VAL 234.A N ILE 230.A O no hydrogen 3.046 N/A LEU 235.A N THR 231.A O no hydrogen 2.948 N/A LYS 236.A N LYS 232.A O no hydrogen 2.908 N/A GLN 237.A N GLU 233.A O no hydrogen 2.940 N/A GLN 237.A NE2 SER 7.A OG no hydrogen 3.073 N/A GLU 238.A N VAL 234.A O no hydrogen 2.962 N/A LYS 239.A N LYS 236.A O no hydrogen 3.046 N/A ILE 240.A N LEU 235.A O no hydrogen 2.847 N/A ILE 241.A N LEU 235.A O no hydrogen 3.509 N/A