Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gml_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A NE2 ASN 12.A OD1 no hydrogen 3.420 N/A MET 8.A N GLY 5.A O no hydrogen 3.196 N/A LYS 16.A N ILE 13.A O no hydrogen 3.056 N/A ILE 17.A N ILE 13.A O no hydrogen 2.784 N/A ALA 18.A N GLN 14.A O no hydrogen 2.741 N/A PHE 19.A N LYS 16.A O no hydrogen 3.329 N/A ILE 20.A N ILE 17.A O no hydrogen 3.048 N/A ASN 22.A N ALA 18.A O no hydrogen 3.197 N/A SER 25.A N ASN 28.A OD1 no hydrogen 2.620 N/A SER 25.A OG ASN 28.A OD1 no hydrogen 2.875 N/A ASN 28.A ND2 ASN 23.A O no hydrogen 2.763 N/A LYS 32.A N ASN 28.A O no hydrogen 2.918 N/A LYS 32.A NZ PHE 19.A O no hydrogen 2.928 N/A VAL 33.A N MET 29.A O no hydrogen 2.852 N/A GLU 34.A N THR 30.A O no hydrogen 3.320 N/A GLU 35.A N GLN 31.A O no hydrogen 3.072 N/A LEU 36.A N LYS 32.A O no hydrogen 2.986 N/A LYS 37.A N VAL 33.A O no hydrogen 3.309 N/A LYS 37.A NZ GLU 34.A OE2 no hydrogen 3.489 N/A GLU 38.A N GLU 34.A O no hydrogen 3.073 N/A GLU 38.A N GLU 35.A O no hydrogen 3.233 N/A THR 39.A N GLU 35.A O no hydrogen 2.842 N/A THR 39.A OG1 GLU 35.A O no hydrogen 2.804 N/A VAL 40.A N LEU 36.A O no hydrogen 3.243 N/A GLU 43.A N GLU 43.A OE1 no hydrogen 2.685 N/A PHE 44.A N LYS 41.A O no hydrogen 2.883 N/A MET 45.A N GLU 42.A O no hydrogen 3.375 N/A TRP 47.A N PHE 44.A O no hydrogen 2.852 N/A VAL 48.A N PHE 44.A O no hydrogen 3.200 N/A SER 49.A N MET 45.A O no hydrogen 2.828 N/A GLN 50.A N PRO 46.A O no hydrogen 3.014 N/A TYR 51.A N TRP 47.A O no hydrogen 2.932 N/A LEU 52.A N VAL 48.A O no hydrogen 3.004 N/A VAL 53.A N SER 49.A O no hydrogen 3.199 N/A MET 54.A N GLN 50.A O no hydrogen 3.132 N/A LYS 55.A N TYR 51.A O no hydrogen 2.963 N/A ARG 56.A NH1 LYS 55.A O no hydrogen 3.315 N/A VAL 57.A N LEU 52.A O no hydrogen 2.870 N/A SER 58.A N VAL 53.A O no hydrogen 3.163 N/A SER 58.A OG MET 54.A O no hydrogen 2.601 N/A ILE 59.A N ARG 56.A O no hydrogen 3.059 N/A GLU 60.A N VAL 57.A O no hydrogen 3.436 N/A PHE 63.A N GLU 60.A O no hydrogen 2.951 N/A HIS 64.A N PRO 61.A O no hydrogen 3.431 N/A HIS 64.A ND1 HIS 115.A ND1 no hydrogen 2.938 N/A HIS 64.A NE2 VAL 57.A O no hydrogen 2.710 N/A TYR 67.A N PHE 63.A O no hydrogen 2.964 N/A TYR 67.A OH GLU 60.A OE1 no hydrogen 2.481 N/A SER 68.A N HIS 64.A O no hydrogen 2.829 N/A ASN 69.A N SER 65.A O no hydrogen 3.026 N/A ASN 69.A ND2 SER 65.A O no hydrogen 2.567 N/A PHE 70.A N LEU 66.A O no hydrogen 2.998 N/A LEU 71.A N TYR 67.A O no hydrogen 3.093 N/A ASP 72.A N SER 68.A O no hydrogen 3.120 N/A THR 73.A N ASN 69.A O no hydrogen 2.862 N/A THR 73.A OG1 ASN 69.A O no hydrogen 2.927 N/A LEU 74.A N PHE 70.A O no hydrogen 2.888 N/A LYS 75.A N LEU 71.A O no hydrogen 3.207 N/A PHE 79.A N ASN 76.A OD1 no hydrogen 3.179 N/A ASN 80.A N ASN 76.A O no hydrogen 2.821 N/A LYS 81.A N PRO 77.A O no hydrogen 3.137 N/A MET 82.A N GLU 78.A O no hydrogen 3.235 N/A VAL 83.A N PHE 79.A O no hydrogen 3.018 N/A LEU 84.A N ASN 80.A O no hydrogen 2.993 N/A ASN 85.A N LYS 81.A O no hydrogen 2.831 N/A GLU 86.A N MET 82.A O no hydrogen 2.883 N/A THR 87.A N VAL 83.A O no hydrogen 2.769 N/A THR 87.A OG1 VAL 83.A O no hydrogen 2.604 N/A TYR 88.A N LEU 84.A O no hydrogen 2.995 N/A ARG 89.A N ASN 85.A O no hydrogen 3.096 N/A ARG 89.A NE GLU 86.A OE1 no hydrogen 3.084 N/A ARG 89.A NH2 GLU 86.A OE1 no hydrogen 3.255 N/A ASN 90.A N GLU 86.A O no hydrogen 3.233 N/A ASN 90.A ND2 GLU 86.A O no hydrogen 2.754 N/A ILE 91.A N THR 87.A O no hydrogen 3.103 N/A LYS 92.A N TYR 88.A O no hydrogen 3.087 N/A LYS 92.A NZ ASP 132.A O no hydrogen 3.071 N/A VAL 93.A N ARG 89.A O no hydrogen 3.232 N/A LEU 94.A N ASN 90.A O no hydrogen 3.454 N/A LEU 95.A N ILE 91.A O no hydrogen 2.912 N/A THR 96.A N LYS 92.A O no hydrogen 2.816 N/A THR 96.A OG1 LYS 92.A O no hydrogen 2.627 N/A SER 97.A OG LEU 94.A O no hydrogen 2.613 N/A LYS 99.A NZ LEU 95.A O no hydrogen 2.964 N/A LYS 99.A NZ SER 97.A O no hydrogen 2.679 N/A SER 108.A N PHE 104.A O no hydrogen 2.899 N/A SER 108.A OG PHE 104.A O no hydrogen 3.368 N/A LEU 109.A N SER 105.A O no hydrogen 2.774 N/A LEU 110.A N ASP 106.A O no hydrogen 3.036 N/A LYS 111.A N ARG 107.A O no hydrogen 3.000 N/A ASN 112.A N SER 108.A O no hydrogen 3.004 N/A ASN 112.A ND2 SER 58.A O no hydrogen 2.962 N/A LEU 113.A N LEU 109.A O no hydrogen 3.008 N/A GLY 114.A N LEU 110.A O no hydrogen 2.985 N/A HIS 115.A N LYS 111.A O no hydrogen 2.773 N/A HIS 115.A ND1 HIS 64.A ND1 no hydrogen 2.938 N/A TRP 116.A N ASN 112.A O no hydrogen 2.952 N/A LEU 117.A N LEU 113.A O no hydrogen 2.709 N/A GLY 118.A N GLY 114.A O no hydrogen 3.121 N/A MET 119.A N HIS 115.A O no hydrogen 3.239 N/A MET 119.A N TRP 116.A O no hydrogen 3.123 N/A ILE 120.A N TRP 116.A O no hydrogen 3.220 N/A ILE 120.A N LEU 117.A O no hydrogen 3.358 N/A THR 121.A OG1 LEU 117.A O no hydrogen 2.540 N/A ALA 123.A N GLY 118.A O no hydrogen 3.021 N/A LYS 124.A N THR 121.A O no hydrogen 3.109 N/A LYS 124.A NZ SER 68.A O no hydrogen 3.226 N/A LYS 124.A NZ SER 68.A OG no hydrogen 2.986 N/A LYS 124.A NZ ASP 72.A OD1 no hydrogen 2.629 N/A ASN 125.A N LEU 122.A O no hydrogen 2.833 N/A LYS 126.A N THR 121.A O no hydrogen 2.712 N/A THR 131.A OG1 ASP 132.A OD1 no hydrogen 3.533 N/A ASP 132.A N LEU 129.A O no hydrogen 3.008 N/A LEU 133.A N LEU 129.A O no hydrogen 2.921 N/A ASP 134.A N GLN 233.A OE1 no hydrogen 2.814 N/A SER 137.A N ASP 134.A OD1 no hydrogen 3.159 N/A LEU 138.A N ASP 134.A O no hydrogen 2.897 N/A LEU 138.A N VAL 135.A O no hydrogen 3.079 N/A LEU 139.A N VAL 135.A O no hydrogen 3.204 N/A LEU 140.A N LYS 136.A O no hydrogen 3.221 N/A GLU 141.A N SER 137.A O no hydrogen 2.943 N/A ALA 142.A N LEU 138.A O no hydrogen 2.988 N/A TYR 143.A N LEU 139.A O no hydrogen 3.119 N/A VAL 144.A N GLU 141.A O no hydrogen 3.274 N/A LYS 145.A N GLU 141.A O no hydrogen 3.336 N/A LYS 145.A NZ GLU 141.A OE2 no hydrogen 3.128 N/A GLU 149.A N GLY 146.A O no hydrogen 3.237 N/A LEU 150.A N GLY 146.A O no hydrogen 3.218 N/A LEU 151.A N GLN 147.A O no hydrogen 2.880 N/A TYR 152.A N GLU 149.A O no hydrogen 3.087 N/A TYR 152.A OH ASN 103.A OD1 no hydrogen 2.982 N/A VAL 153.A N GLU 149.A O no hydrogen 2.958 N/A VAL 154.A N LEU 150.A O no hydrogen 3.072 N/A VAL 157.A N VAL 153.A O no hydrogen 2.746 N/A ALA 158.A N VAL 154.A O no hydrogen 2.982 N/A LYS 159.A N PRO 155.A O no hydrogen 3.092 N/A LYS 159.A NZ GLU 162.A OE2 no hydrogen 3.145 N/A VAL 160.A N PHE 156.A O no hydrogen 3.370 N/A LEU 161.A N VAL 157.A O no hydrogen 3.124 N/A GLU 162.A N ALA 158.A O no hydrogen 3.144 N/A SER 163.A N VAL 160.A O no hydrogen 3.483 N/A SER 164.A N LEU 161.A O no hydrogen 3.065 N/A SER 164.A OG LEU 161.A O no hydrogen 2.619 N/A SER 167.A N SER 164.A O no hydrogen 3.126 N/A SER 167.A OG LEU 122.A O no hydrogen 2.946 N/A SER 167.A OG ASN 125.A OD1 no hydrogen 2.915 N/A VAL 168.A N ASN 125.A OD1 no hydrogen 2.962 N/A VAL 169.A N SER 167.A OG no hydrogen 3.157 N/A PHE 170.A N SER 167.A OG no hydrogen 3.028 N/A ARG 171.A NE SER 167.A O no hydrogen 3.170 N/A ASN 174.A N ARG 171.A O no hydrogen 2.983 N/A ASN 174.A ND2 VAL 169.A O no hydrogen 2.330 N/A TRP 176.A N ASN 174.A OD1 no hydrogen 2.877 N/A THR 177.A OG1 PHE 170.A O no hydrogen 2.550 N/A MET 178.A N ASN 174.A O no hydrogen 2.698 N/A ALA 179.A N PRO 175.A O no hydrogen 2.985 N/A ILE 180.A N TRP 176.A O no hydrogen 3.438 N/A MET 181.A N THR 177.A O no hydrogen 3.097 N/A ASN 182.A N MET 178.A O no hydrogen 2.853 N/A VAL 183.A N ALA 179.A O no hydrogen 3.410 N/A LEU 184.A N ILE 180.A O no hydrogen 3.015 N/A ALA 185.A N MET 181.A O no hydrogen 2.877 N/A GLU 186.A N ASN 182.A O no hydrogen 2.956 N/A LEU 187.A N VAL 183.A O no hydrogen 2.893 N/A HIS 188.A N LEU 184.A O no hydrogen 2.871 N/A HIS 188.A NE2 GLU 202.A OE2 no hydrogen 2.893 N/A GLN 189.A N ALA 185.A O no hydrogen 3.424 N/A GLU 190.A N LEU 187.A O no hydrogen 3.277 N/A LEU 193.A N GLU 190.A O no hydrogen 3.044 N/A LYS 198.A N LYS 194.A O no hydrogen 3.177 N/A LYS 198.A NZ GLU 190.A O no hydrogen 3.276 N/A PHE 199.A N LEU 195.A O no hydrogen 2.846 N/A GLU 200.A N ASN 196.A O no hydrogen 2.768 N/A ILE 201.A N LEU 197.A O no hydrogen 3.042 N/A GLU 202.A N LYS 198.A O no hydrogen 3.351 N/A VAL 203.A N PHE 199.A O no hydrogen 2.917 N/A LEU 204.A N GLU 200.A O no hydrogen 2.969 N/A CYS 205.A N ILE 201.A O no hydrogen 2.919 N/A CYS 205.A SG ILE 201.A O no hydrogen 3.312 N/A LYS 206.A N GLU 202.A O no hydrogen 3.200 N/A ASN 207.A N VAL 203.A O no hydrogen 2.929 N/A LEU 208.A N CYS 205.A O no hydrogen 3.047 N/A ALA 209.A N LYS 206.A O no hydrogen 3.011 N/A LEU 210.A N CYS 205.A O no hydrogen 2.667 N/A ASN 213.A N ASP 211.A OD1 no hydrogen 3.354 N/A GLU 214.A N ASP 211.A O no hydrogen 2.736 N/A LYS 216.A N ASN 182.A OD1 no hydrogen 3.183 N/A LEU 220.A N GLU 186.A OE1 no hydrogen 3.254 N/A LEU 221.A N GLU 186.A OE2 no hydrogen 2.603 N/A LYS 222.A N ASN 219.A O no hydrogen 3.227 N/A LYS 224.A N LYS 222.A O no hydrogen 2.761 N/A ARG 226.A N ASP 223.A OD1 no hydrogen 3.281 N/A LEU 227.A N ASP 223.A O no hydrogen 2.921 N/A LYS 228.A N LYS 224.A O no hydrogen 3.284 N/A ASN 229.A ND2 ASP 225.A O no hydrogen 2.749 N/A GLN 233.A N GLU 141.A OE1 no hydrogen 2.660 N/A GLN 233.A N GLU 141.A OE2 no hydrogen 3.097 N/A GLN 233.A NE2 ASP 134.A O no hydrogen 3.042 N/A LEU 234.A N GLU 141.A OE2 no hydrogen 2.876 N/A SER 235.A OG SER 97.A O no hydrogen 2.852 N/A