Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4s2n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N GLY 32.A O no hydrogen 2.889 N/A ASN 6.A N THR 34.A O no hydrogen 2.678 N/A SER 8.A OG ASN 6.A OD1 no hydrogen 2.656 N/A TRP 9.A N ASN 6.A O no hydrogen 3.320 N/A TRP 9.A NE1 GLU 238.A OE2 no hydrogen 2.648 N/A ASN 10.A N LYS 7.A O no hydrogen 2.910 N/A ALA 11.A N SER 8.A O no hydrogen 3.094 N/A HIS 12.A N TRP 9.A O no hydrogen 2.902 N/A HIS 12.A NE2 GLN 237.A OE1 no hydrogen 2.474 N/A THR 14.A N ASN 10.A O no hydrogen 2.806 N/A THR 14.A OG1 ASN 10.A O no hydrogen 3.166 N/A GLU 15.A N ALA 11.A O no hydrogen 2.838 N/A HIS 16.A N PHE 13.A O no hydrogen 2.985 N/A HIS 16.A NE2 GLU 233.A OE1 no hydrogen 2.565 N/A LYS 17.A N THR 14.A O no hydrogen 2.961 N/A SER 18.A N PHE 13.A O no hydrogen 2.927 N/A SER 18.A OG HIS 16.A O no hydrogen 2.660 N/A GLN 19.A NE2 ASP 217.A OD2 no hydrogen 2.788 N/A VAL 21.A N ASN 215.A O no hydrogen 2.778 N/A VAL 22.A N ASN 35.A OD1 no hydrogen 2.865 N/A VAL 23.A N ALA 213.A O no hydrogen 2.711 N/A LEU 24.A N PHE 33.A O no hydrogen 2.739 N/A TRP 25.A N PHE 211.A O no hydrogen 2.813 N/A ASN 26.A N GLN 31.A O no hydrogen 2.890 N/A GLU 27.A N VAL 209.A O no hydrogen 2.987 N/A ASN 28.A N ASN 208.A OD1 no hydrogen 2.938 N/A ASN 28.A ND2 ASP 207.A O no hydrogen 2.662 N/A LYS 29.A N ASN 26.A OD1 no hydrogen 3.030 N/A GLN 30.A N ASN 26.A O no hydrogen 2.748 N/A GLN 30.A N GLU 27.A O no hydrogen 3.323 N/A GLN 31.A N ASN 26.A O no hydrogen 3.442 N/A GLN 31.A NE2 GLN 4.A OE1 no hydrogen 3.235 N/A GLY 32.A N GLU 2.A O no hydrogen 2.673 N/A PHE 33.A N LEU 24.A O no hydrogen 2.736 N/A THR 34.A N GLN 4.A O no hydrogen 3.041 N/A THR 34.A OG1 VAL 22.A O no hydrogen 2.855 N/A ASN 35.A ND2 ASN 10.A OD1 no hydrogen 2.746 N/A ASN 35.A ND2 GLY 20.A O no hydrogen 3.054 N/A ASN 36.A N THR 34.A OG1 no hydrogen 3.281 N/A LEU 37.A N GLU 5.A OE1 no hydrogen 2.840 N/A ARG 39.A N ASN 36.A OD1 no hydrogen 2.909 N/A ARG 39.A NE ASN 215.A OD1 no hydrogen 2.770 N/A ARG 39.A NH1 ASN 215.A OD1 no hydrogen 3.107 N/A ARG 39.A NH1 ASP 217.A OD1 no hydrogen 2.826 N/A ARG 39.A NH2 ASP 217.A OD1 no hydrogen 2.762 N/A ALA 40.A N ASN 36.A O no hydrogen 2.771 N/A ASN 41.A N LEU 37.A O no hydrogen 3.204 N/A ASN 41.A N LYS 38.A O no hydrogen 3.107 N/A ASN 41.A ND2 LEU 37.A O no hydrogen 3.072 N/A GLN 42.A N ARG 39.A O no hydrogen 3.034 N/A PHE 44.A N ILE 141.A O no hydrogen 2.844 N/A ALA 47.A N TRP 134.A O no hydrogen 2.954 N/A SER 48.A OG SER 95.A OG no hydrogen 3.138 N/A THR 49.A N PRO 46.A O no hydrogen 3.048 N/A THR 49.A OG1 PRO 46.A O no hydrogen 2.776 N/A PHE 50.A N ALA 47.A O no hydrogen 2.952 N/A ASN 53.A N PHE 50.A O no hydrogen 2.959 N/A ASN 53.A ND2 TYR 100.A O no hydrogen 3.206 N/A SER 54.A OG TYR 100.A OH no hydrogen 2.723 N/A LEU 55.A N ILE 51.A O no hydrogen 3.156 N/A ILE 56.A N PRO 52.A O no hydrogen 3.072 N/A ALA 57.A N ASN 53.A O no hydrogen 2.971 N/A LEU 58.A N SER 54.A O no hydrogen 2.919 N/A ASP 59.A N LEU 55.A O no hydrogen 2.936 N/A LEU 60.A N ILE 56.A O no hydrogen 2.927 N/A GLY 61.A N LEU 58.A O no hydrogen 3.197 N/A VAL 63.A N ALA 57.A O no hydrogen 2.953 N/A LYS 64.A N GLN 68.A OE1 no hydrogen 2.612 N/A LYS 64.A NZ ASP 65.A OD2 no hydrogen 3.376 N/A GLU 66.A N GLU 66.A OE2 no hydrogen 2.616 N/A HIS 67.A N ASP 65.A OD1 no hydrogen 2.945 N/A GLN 68.A N ASP 65.A O no hydrogen 3.298 N/A GLN 68.A N ASP 65.A OD1 no hydrogen 2.971 N/A PHE 70.A N HIS 86.A O no hydrogen 2.581 N/A TRP 72.A N ASP 85.A OD1 no hydrogen 2.951 N/A TRP 72.A NE1 GLN 75.A O no hydrogen 2.742 N/A GLN 75.A N ASP 73.A OD1 no hydrogen 3.168 N/A ARG 77.A N ASN 83.A OD1 no hydrogen 2.851 N/A ARG 77.A NH1 ASP 73.A OD1 no hydrogen 3.489 N/A ARG 77.A NH1 ASP 73.A OD2 no hydrogen 2.888 N/A ARG 77.A NH2 ASP 73.A OD1 no hydrogen 2.882 N/A ARG 77.A NH2 ASP 73.A OD2 no hydrogen 3.539 N/A TRP 82.A N ILE 79.A O no hydrogen 3.167 N/A TRP 82.A NE1 TYR 94.A O no hydrogen 3.022 N/A ASN 83.A N ALA 80.A O no hydrogen 3.017 N/A ASN 83.A ND2 ARG 77.A O no hydrogen 3.053 N/A HIS 86.A N PHE 70.A O no hydrogen 3.052 N/A HIS 86.A ND1 THR 90.A OG1 no hydrogen 2.725 N/A HIS 86.A NE2 THR 81.A O no hydrogen 2.558 N/A ASN 87.A N THR 90.A OG1 no hydrogen 3.237 N/A THR 90.A N ASN 87.A OD1 no hydrogen 2.998 N/A THR 90.A OG1 HIS 86.A ND1 no hydrogen 2.725 N/A THR 90.A OG1 ASN 87.A O no hydrogen 3.530 N/A THR 90.A OG1 ASN 87.A OD1 no hydrogen 3.367 N/A ALA 91.A N ASN 87.A O no hydrogen 2.808 N/A MET 92.A N LEU 88.A O no hydrogen 3.078 N/A LYS 93.A N ILE 89.A O no hydrogen 2.847 N/A TYR 94.A N THR 90.A O no hydrogen 2.884 N/A SER 95.A N MET 92.A O no hydrogen 3.126 N/A VAL 96.A N ALA 91.A O no hydrogen 2.768 N/A VAL 99.A N VAL 96.A O no hydrogen 3.265 N/A TYR 100.A N VAL 96.A O no hydrogen 3.468 N/A TYR 100.A OH SER 54.A OG no hydrogen 2.723 N/A GLN 101.A N VAL 97.A O no hydrogen 2.809 N/A GLN 101.A NE2 ASP 131.A O no hydrogen 3.323 N/A GLU 102.A N PRO 98.A O no hydrogen 2.967 N/A PHE 103.A N VAL 99.A O no hydrogen 3.001 N/A ALA 104.A N TYR 100.A O no hydrogen 2.972 N/A ARG 105.A N GLN 101.A O no hydrogen 3.009 N/A ARG 105.A NE GLU 102.A OE1 no hydrogen 3.196 N/A ARG 105.A NH1 ASP 131.A OD2 no hydrogen 2.790 N/A ARG 105.A NH2 GLU 102.A OE1 no hydrogen 2.871 N/A GLN 106.A N GLU 102.A O no hydrogen 3.032 N/A GLN 106.A NE2 GLU 102.A OE2 no hydrogen 2.957 N/A ILE 107.A N PHE 103.A O no hydrogen 2.824 N/A GLY 108.A N ALA 104.A O no hydrogen 2.932 N/A ARG 111.A NE ILE 107.A O no hydrogen 2.997 N/A ARG 111.A NH1 GLN 106.A O no hydrogen 3.051 N/A ARG 111.A NH1 ILE 107.A O no hydrogen 3.367 N/A MET 112.A N GLY 108.A O no hydrogen 2.883 N/A SER 113.A N GLU 109.A O no hydrogen 2.912 N/A LYS 114.A N ALA 110.A O no hydrogen 3.161 N/A MET 115.A N ARG 111.A O no hydrogen 2.902 N/A LEU 116.A N MET 112.A O no hydrogen 3.056 N/A HIS 117.A N SER 113.A O no hydrogen 3.247 N/A ALA 118.A N LYS 114.A O no hydrogen 3.349 N/A PHE 119.A N MET 115.A O no hydrogen 3.305 N/A PHE 119.A N LEU 116.A O no hydrogen 3.146 N/A ASP 120.A N HIS 117.A O no hydrogen 2.926 N/A TYR 121.A N LEU 116.A O no hydrogen 3.338 N/A ASN 123.A N ARG 140.A O no hydrogen 2.838 N/A ASN 123.A ND2 GLY 138.A O no hydrogen 2.898 N/A GLU 124.A N TYR 121.A O no hydrogen 2.996 N/A ASP 125.A N ASN 123.A OD1 no hydrogen 3.123 N/A SER 127.A N ASP 125.A OD1 no hydrogen 2.994 N/A SER 127.A OG ASP 125.A OD1 no hydrogen 2.664 N/A SER 132.A N ASN 129.A O no hydrogen 3.025 N/A SER 132.A OG ASP 136.A OD1 no hydrogen 2.673 N/A SER 132.A OG ASP 136.A OD2 no hydrogen 3.561 N/A LEU 135.A N SER 132.A O no hydrogen 2.754 N/A ASP 136.A N SER 132.A O no hydrogen 3.043 N/A GLY 137.A N PHE 133.A O no hydrogen 2.808 N/A GLY 138.A N SER 127.A O no hydrogen 2.786 N/A ARG 140.A N ASN 123.A OD1 no hydrogen 3.042 N/A ARG 140.A NH1 GLY 137.A O no hydrogen 2.727 N/A ARG 140.A NH1 ILE 139.A O no hydrogen 2.856 N/A ILE 141.A N PHE 44.A O no hydrogen 2.738 N/A SER 142.A N GLU 145.A OE1 no hydrogen 2.934 N/A SER 142.A OG THR 144.A OG1 no hydrogen 2.946 N/A THR 144.A N ALA 40.A O no hydrogen 2.991 N/A THR 144.A OG1 ALA 40.A O no hydrogen 3.423 N/A THR 144.A OG1 ASN 41.A OD1 no hydrogen 2.671 N/A THR 144.A OG1 SER 142.A OG no hydrogen 2.946 N/A GLU 145.A N SER 142.A OG no hydrogen 2.934 N/A GLN 146.A N SER 142.A O no hydrogen 2.875 N/A GLN 146.A NE2 THR 49.A OG1 no hydrogen 2.971 N/A ILE 147.A N ALA 143.A O no hydrogen 3.094 N/A SER 148.A N THR 144.A O no hydrogen 3.110 N/A SER 148.A OG THR 144.A O no hydrogen 3.333 N/A PHE 149.A N GLU 145.A O no hydrogen 2.952 N/A LEU 150.A N GLN 146.A O no hydrogen 2.830 N/A ARG 151.A N ILE 147.A O no hydrogen 2.822 N/A ARG 151.A NE GLU 27.A OE2 no hydrogen 2.714 N/A ARG 151.A NH1 GLU 27.A OE1 no hydrogen 2.864 N/A ARG 151.A NH1 GLU 27.A OE2 no hydrogen 3.314 N/A LYS 152.A N SER 148.A O no hydrogen 3.311 N/A LYS 152.A NZ ASP 120.A OD2 no hydrogen 2.976 N/A LEU 153.A N PHE 149.A O no hydrogen 3.068 N/A TYR 154.A N LEU 150.A O no hydrogen 2.788 N/A HIS 155.A N ARG 151.A O no hydrogen 3.045 N/A HIS 155.A NE2 GLU 27.A OE1 no hydrogen 2.700 N/A ASN 156.A N LEU 153.A O no hydrogen 3.127 N/A LYS 157.A N LYS 152.A O no hydrogen 2.849 N/A LEU 158.A N GLN 165.A OE1 no hydrogen 3.123 N/A SER 161.A N ASP 59.A OD1 no hydrogen 3.087 N/A SER 161.A N ASP 59.A OD2 no hydrogen 3.314 N/A SER 161.A OG ASP 59.A OD1 no hydrogen 2.825 N/A SER 161.A OG SER 164.A OG no hydrogen 3.134 N/A ARG 163.A NH1 LYS 64.A O no hydrogen 2.766 N/A ARG 163.A NH2 LYS 64.A O no hydrogen 3.542 N/A SER 164.A N SER 161.A OG no hydrogen 2.939 N/A SER 164.A OG ASP 59.A OD1 no hydrogen 2.743 N/A SER 164.A OG SER 161.A OG no hydrogen 3.134 N/A GLN 165.A N SER 161.A O no hydrogen 3.164 N/A GLN 165.A NE2 ASN 156.A O no hydrogen 3.300 N/A GLN 165.A NE2 LEU 158.A O no hydrogen 3.619 N/A GLN 165.A NE2 SER 161.A O no hydrogen 3.289 N/A ARG 166.A N GLU 162.A O no hydrogen 2.833 N/A ARG 166.A NE GLU 162.A OE2 no hydrogen 2.727 N/A ARG 166.A NH2 GLU 162.A OE2 no hydrogen 2.962 N/A ILE 167.A N ARG 163.A O no hydrogen 2.895 N/A VAL 168.A N SER 164.A O no hydrogen 3.006 N/A LYS 169.A N GLN 165.A O no hydrogen 2.952 N/A LYS 169.A NZ LEU 153.A O no hydrogen 3.063 N/A LYS 169.A NZ TYR 154.A O no hydrogen 3.054 N/A LYS 169.A NZ ASN 156.A OD1 no hydrogen 2.670 N/A GLN 170.A N ARG 166.A O no hydrogen 2.912 N/A ALA 171.A N ILE 167.A O no hydrogen 2.869 N/A MET 172.A N VAL 168.A O no hydrogen 2.843 N/A LEU 173.A N GLN 170.A O no hydrogen 3.082 N/A THR 174.A N ILE 182.A O no hydrogen 2.913 N/A THR 174.A OG1 MET 172.A O no hydrogen 2.889 N/A THR 174.A OG1 ALA 184.A O no hydrogen 3.458 N/A GLU 175.A N ILE 182.A O no hydrogen 3.306 N/A ASN 177.A N TYR 180.A O no hydrogen 2.911 N/A ASP 179.A N ASN 177.A OD1 no hydrogen 2.802 N/A TYR 180.A N ASN 177.A OD1 no hydrogen 3.055 N/A TYR 180.A OH GLU 175.A OE2 no hydrogen 3.016 N/A ILE 181.A N GLU 204.A O no hydrogen 3.066 N/A ILE 182.A N GLU 175.A O no hydrogen 2.751 N/A ARG 183.A N TRP 202.A O no hydrogen 3.102 N/A ARG 183.A NE GLU 204.A OE1 no hydrogen 2.773 N/A ARG 183.A NH1 LYS 169.A O no hydrogen 2.836 N/A ALA 184.A N MET 172.A O no hydrogen 2.884 N/A LYS 185.A N VAL 200.A O no hydrogen 2.831 N/A LYS 185.A NZ SER 95.A OG no hydrogen 2.758 N/A LYS 185.A NZ THR 186.A O no hydrogen 2.911 N/A LYS 185.A NZ THR 186.A OG1 no hydrogen 3.332 N/A GLY 187.A N TRP 198.A O no hydrogen 2.902 N/A TYR 188.A OH MET 218.A O no hydrogen 3.206 N/A SER 189.A N ILE 196.A O no hydrogen 2.823 N/A ARG 191.A NH1 ASP 136.A OD2 no hydrogen 2.880 N/A LYS 195.A N GLU 193.A OE2 no hydrogen 3.199 N/A LYS 195.A NZ GLU 193.A OE1 no hydrogen 2.725 N/A ILE 196.A N SER 189.A O no hydrogen 3.143 N/A GLY 197.A N MET 216.A O no hydrogen 2.752 N/A TRP 198.A N GLY 187.A O no hydrogen 2.736 N/A TRP 198.A NE1 LEU 45.A O no hydrogen 2.761 N/A TRP 199.A N MET 214.A O no hydrogen 3.048 N/A VAL 200.A N LYS 185.A O no hydrogen 3.085 N/A GLY 201.A N PHE 212.A O no hydrogen 2.889 N/A TRP 202.A N ARG 183.A O no hydrogen 2.856 N/A TRP 202.A NE1 GLU 204.A OE1 no hydrogen 2.880 N/A VAL 203.A N TRP 210.A O no hydrogen 2.810 N/A GLU 204.A N ILE 181.A O no hydrogen 2.770 N/A LEU 205.A N ASN 208.A O no hydrogen 2.929 N/A ASN 208.A ND2 ASN 26.A OD1 no hydrogen 2.984 N/A VAL 209.A N ASN 208.A OD1 no hydrogen 2.852 N/A TRP 210.A N VAL 203.A O no hydrogen 2.924 N/A PHE 211.A N TRP 25.A O no hydrogen 2.855 N/A PHE 212.A N GLY 201.A O no hydrogen 2.804 N/A ALA 213.A N VAL 23.A O no hydrogen 2.956 N/A MET 214.A N TRP 199.A O no hydrogen 2.860 N/A ASN 215.A N VAL 21.A O no hydrogen 3.001 N/A MET 216.A N GLY 197.A O no hydrogen 2.883 N/A ASP 217.A N GLN 19.A O no hydrogen 2.870 N/A MET 218.A N LYS 195.A O no hydrogen 2.878 N/A THR 220.A OG1 ASP 222.A OD2 no hydrogen 3.394 N/A ASP 222.A N THR 220.A OG1 no hydrogen 3.270 N/A GLY 223.A N THR 220.A O no hydrogen 3.486 N/A LEU 224.A N SER 221.A O no hydrogen 3.098 N/A LEU 226.A N GLY 223.A O no hydrogen 2.846 N/A ARG 227.A N LEU 224.A O no hydrogen 3.051 N/A ARG 227.A NE LEU 224.A O no hydrogen 2.764 N/A ARG 227.A NH2 GLY 187.A O no hydrogen 2.870 N/A GLN 228.A N GLN 228.A OE1 no hydrogen 2.820 N/A ALA 229.A N GLY 225.A O no hydrogen 3.106 N/A ILE 230.A N LEU 226.A O no hydrogen 2.946 N/A THR 231.A OG1 ARG 227.A O no hydrogen 2.687 N/A LYS 232.A N GLN 228.A O no hydrogen 2.846 N/A LYS 232.A NZ GLU 175.A OE1 no hydrogen 2.697 N/A LYS 232.A NZ GLU 175.A OE2 no hydrogen 3.552 N/A GLU 233.A N ALA 229.A O no hydrogen 2.929 N/A VAL 234.A N ILE 230.A O no hydrogen 2.968 N/A LEU 235.A N THR 231.A O no hydrogen 2.839 N/A LYS 236.A N LYS 232.A O no hydrogen 2.772 N/A GLN 237.A N GLU 233.A O no hydrogen 2.783 N/A GLN 237.A NE2 SER 8.A OG no hydrogen 2.937 N/A GLU 238.A N VAL 234.A O no hydrogen 2.947 N/A LYS 239.A N LYS 236.A O no hydrogen 2.962 N/A ILE 240.A N LEU 235.A O no hydrogen 2.911 N/A ILE 241.A N LEU 235.A O no hydrogen 3.510 N/A