Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3whk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N ARG 78.A O no hydrogen 2.909 N/A VAL 6.A N PHE 76.A O no hydrogen 3.058 N/A THR 12.A N ASP 15.A OD2 no hydrogen 2.720 N/A THR 12.A OG1 ASP 15.A OD2 no hydrogen 3.335 N/A TYR 13.A OH GLU 31.A OE1 no hydrogen 2.378 N/A ASN 14.A N THR 12.A OG1 no hydrogen 3.134 N/A ASP 15.A N THR 12.A O no hydrogen 2.955 N/A ILE 16.A N TYR 13.A O no hydrogen 3.387 N/A GLN 22.A NE2 GLU 167.A O no hydrogen 3.424 N/A LEU 23.A N LEU 19.A O no hydrogen 2.725 N/A GLN 24.A N LYS 20.A O no hydrogen 2.988 N/A GLN 24.A NE2 GLU 28.A OE1 no hydrogen 2.825 N/A GLU 25.A N LYS 21.A O no hydrogen 3.139 N/A LEU 26.A N GLN 22.A O no hydrogen 3.202 N/A ARG 27.A N LEU 23.A O no hydrogen 2.852 N/A ARG 27.A NE GLU 31.A OE1 no hydrogen 3.107 N/A ARG 27.A NH2 GLU 31.A OE2 no hydrogen 2.870 N/A GLU 28.A N GLN 24.A O no hydrogen 2.851 N/A ALA 29.A N LEU 26.A O no hydrogen 3.129 N/A ILE 30.A N LEU 26.A O no hydrogen 2.917 N/A LEU 32.A N ARG 27.A O no hydrogen 2.967 N/A LEU 34.A N GLU 31.A O no hydrogen 3.061 N/A LYS 35.A N GLU 31.A O no hydrogen 2.934 N/A LYS 35.A NZ GLU 31.A OE2 no hydrogen 3.047 N/A HIS 36.A N LEU 32.A O no hydrogen 2.998 N/A HIS 36.A ND1 GLU 38.A OE2 no hydrogen 2.790 N/A LEU 39.A N HIS 36.A O no hydrogen 3.170 N/A PHE 40.A N PRO 37.A O no hydrogen 3.244 N/A GLU 41.A N GLU 38.A O no hydrogen 3.256 N/A GLU 42.A N GLU 38.A O no hydrogen 2.962 N/A VAL 43.A N LEU 39.A O no hydrogen 3.232 N/A GLY 44.A N GLU 41.A O no hydrogen 3.040 N/A ILE 45.A N PHE 40.A O no hydrogen 2.917 N/A LYS 49.A NZ MET 131.A O no hydrogen 2.989 N/A LYS 49.A NZ PHE 134.A O no hydrogen 2.858 N/A VAL 51.A N VAL 142.A O no hydrogen 3.075 N/A LEU 52.A N ARG 164.A O no hydrogen 2.837 N/A LEU 53.A N ALA 144.A O no hydrogen 2.730 N/A TYR 54.A N ILE 166.A O no hydrogen 2.994 N/A GLY 55.A N THR 146.A O no hydrogen 3.135 N/A CYS 59.A SG PRO 56.A O no hydrogen 3.329 N/A CYS 59.A SG PRO 57.A O no hydrogen 3.395 N/A LYS 61.A NZ GLY 55.A O no hydrogen 3.279 N/A LYS 61.A NZ PRO 56.A O no hydrogen 3.294 N/A MET 64.A N GLY 60.A O no hydrogen 2.923 N/A ALA 65.A N LYS 61.A O no hydrogen 3.057 N/A LYS 66.A N THR 62.A O no hydrogen 2.935 N/A ALA 67.A N LEU 63.A O no hydrogen 2.806 N/A ILE 68.A N MET 64.A O no hydrogen 2.848 N/A ALA 69.A N ALA 65.A O no hydrogen 3.266 N/A HIS 70.A N LYS 66.A O no hydrogen 3.064 N/A HIS 70.A ND1 PRO 9.A O no hydrogen 3.047 N/A GLU 71.A N ALA 67.A O no hydrogen 3.077 N/A VAL 72.A N ILE 68.A O no hydrogen 3.150 N/A ASN 73.A N HIS 70.A O no hydrogen 3.192 N/A ALA 74.A N ALA 69.A O no hydrogen 2.900 N/A THR 75.A N PRO 104.A O no hydrogen 2.861 N/A THR 75.A OG1 LYS 102.A O no hydrogen 2.983 N/A PHE 76.A N VAL 6.A O no hydrogen 3.299 N/A ILE 77.A N ILE 106.A O no hydrogen 2.938 N/A ARG 78.A N GLU 4.A O no hydrogen 2.893 N/A ARG 78.A NH1 GLU 4.A OE1 no hydrogen 3.440 N/A VAL 79.A N PHE 108.A O no hydrogen 2.912 N/A GLY 81.A N ASP 110.A O no hydrogen 2.766 N/A SER 82.A N GLU 111.A OE2 no hydrogen 3.162 N/A SER 82.A OG GLU 111.A OE2 no hydrogen 2.715 N/A GLU 83.A N VAL 80.A O no hydrogen 3.038 N/A LEU 84.A N VAL 80.A O no hydrogen 3.222 N/A LEU 84.A N GLY 81.A O no hydrogen 3.030 N/A VAL 92.A N GLY 88.A O no hydrogen 3.141 N/A HIS 93.A N ALA 89.A O no hydrogen 3.145 N/A HIS 93.A ND1 GLU 130.A OE2 no hydrogen 2.720 N/A GLU 94.A N ARG 90.A O no hydrogen 2.983 N/A LEU 95.A N LEU 91.A O no hydrogen 2.990 N/A PHE 96.A N VAL 92.A O no hydrogen 3.173 N/A GLU 97.A N HIS 93.A O no hydrogen 2.960 N/A LEU 98.A N GLU 94.A O no hydrogen 2.904 N/A ALA 99.A N LEU 95.A O no hydrogen 3.019 N/A LYS 100.A N PHE 96.A O no hydrogen 3.091 N/A GLU 101.A N GLU 97.A O no hydrogen 3.046 N/A LYS 102.A N LEU 98.A O no hydrogen 2.892 N/A LYS 102.A NZ GLU 7.A OE1 no hydrogen 3.428 N/A LYS 102.A NZ GLU 7.A OE2 no hydrogen 2.623 N/A ALA 103.A N LYS 100.A O no hydrogen 3.240 N/A THR 105.A N ASN 139.A O no hydrogen 3.120 N/A THR 105.A OG1 ALA 99.A O no hydrogen 2.577 N/A ILE 106.A N THR 75.A O no hydrogen 2.617 N/A ILE 107.A N LYS 141.A O no hydrogen 2.873 N/A PHE 108.A N ILE 77.A O no hydrogen 2.626 N/A ILE 109.A N ILE 143.A O no hydrogen 2.821 N/A ASP 110.A N VAL 79.A O no hydrogen 2.882 N/A ILE 112.A N ALA 145.A O no hydrogen 3.037 N/A ALA 114.A N GLU 111.A O no hydrogen 3.088 N/A ILE 115.A N ILE 112.A O no hydrogen 2.953 N/A GLY 116.A N ILE 112.A O no hydrogen 2.855 N/A LYS 118.A N ILE 151.A O no hydrogen 3.295 N/A LYS 118.A NZ ASP 150.A O no hydrogen 3.058 N/A ASN 121.A ND2 ILE 115.A O no hydrogen 3.018 N/A ARG 122.A NE ARG 122.A O no hydrogen 2.869 N/A LEU 124.A N ASN 121.A OD1 no hydrogen 3.223 N/A MET 125.A N ASN 121.A O no hydrogen 2.792 N/A GLN 126.A N ARG 122.A O no hydrogen 3.320 N/A GLN 126.A N THR 123.A O no hydrogen 2.986 N/A GLN 126.A NE2 GLU 130.A OE2 no hydrogen 2.885 N/A LEU 127.A N THR 123.A O no hydrogen 3.235 N/A LEU 128.A N LEU 124.A O no hydrogen 3.077 N/A ALA 129.A N MET 125.A O no hydrogen 2.976 N/A GLU 130.A N GLN 126.A O no hydrogen 2.819 N/A MET 131.A N LEU 127.A O no hydrogen 3.001 N/A ASP 132.A N LEU 128.A O no hydrogen 2.993 N/A GLY 133.A N ALA 129.A O no hydrogen 2.837 N/A PHE 134.A N GLU 130.A O no hydrogen 3.292 N/A ARG 137.A NH2 PHE 40.A O no hydrogen 3.493 N/A GLY 138.A N ASP 135.A O no hydrogen 3.199 N/A LYS 141.A N THR 105.A O no hydrogen 3.090 N/A VAL 142.A N LYS 49.A O no hydrogen 3.034 N/A ILE 143.A N ILE 107.A O no hydrogen 2.773 N/A ALA 144.A N VAL 51.A O no hydrogen 2.929 N/A ALA 145.A N ILE 109.A O no hydrogen 3.028 N/A THR 146.A N LEU 53.A O no hydrogen 3.141 N/A THR 146.A OG1 ASP 113.A OD1 no hydrogen 2.628 N/A ARG 148.A N THR 146.A OG1 no hydrogen 3.263 N/A LEU 152.A N PRO 149.A O no hydrogen 3.445 N/A ASP 153.A N GLY 116.A O no hydrogen 2.802 N/A ALA 155.A N ASP 153.A OD1 no hydrogen 2.705 N/A LEU 156.A N ASP 153.A O no hydrogen 2.984 N/A LEU 157.A N PRO 154.A O no hydrogen 3.223 N/A GLY 160.A N ASP 163.A OD1 no hydrogen 3.258 N/A ARG 161.A N ARG 158.A O no hydrogen 3.153 N/A ARG 161.A NE ASP 132.A OD1 no hydrogen 3.284 N/A ARG 161.A NH1 ALA 155.A O no hydrogen 3.004 N/A ARG 161.A NH2 ASP 132.A OD2 no hydrogen 3.012 N/A PHE 162.A N LEU 156.A O no hydrogen 2.912 N/A ILE 166.A N LEU 52.A O no hydrogen 2.869 N/A VAL 168.A N TYR 54.A O no hydrogen 2.714 N/A SER 175.A N ASP 172.A OD1 no hydrogen 2.793 N/A SER 175.A OG ASP 172.A OD1 no hydrogen 2.797 N/A ARG 176.A N ASP 172.A O no hydrogen 2.940 N/A ARG 176.A NE ALA 199.A O no hydrogen 2.980 N/A ARG 176.A NE THR 202.A OG1 no hydrogen 3.173 N/A ARG 176.A NH1 PRO 171.A O no hydrogen 2.996 N/A ARG 176.A NH2 ALA 199.A O no hydrogen 2.893 N/A GLN 178.A N PHE 174.A O no hydrogen 3.374 N/A ILE 179.A N SER 175.A O no hydrogen 2.936 N/A LEU 180.A N ARG 176.A O no hydrogen 3.027 N/A GLN 181.A N ALA 177.A O no hydrogen 3.090 N/A ILE 182.A N GLN 178.A O no hydrogen 2.785 N/A HIS 183.A N ILE 179.A O no hydrogen 3.073 N/A SER 184.A N LEU 180.A O no hydrogen 3.087 N/A SER 184.A N GLN 181.A O no hydrogen 3.071 N/A SER 184.A OG LEU 180.A O no hydrogen 2.706 N/A ARG 185.A N ILE 182.A O no hydrogen 3.346 N/A ARG 185.A NH1 ASN 14.A O no hydrogen 3.038 N/A MET 187.A N SER 184.A O no hydrogen 3.049 N/A ASP 190.A N VAL 229.A O no hydrogen 3.052 N/A GLN 196.A NE2 ASN 194.A OD1 no hydrogen 3.638 N/A GLU 197.A N ASN 194.A OD1 no hydrogen 2.746 N/A LEU 198.A N ASN 194.A O no hydrogen 3.257 N/A ALA 199.A N TRP 195.A O no hydrogen 2.877 N/A ARG 200.A N GLN 196.A O no hydrogen 2.878 N/A SER 201.A N GLU 197.A O no hydrogen 2.928 N/A SER 201.A OG GLU 197.A O no hydrogen 2.597 N/A THR 202.A N ALA 199.A O no hydrogen 3.221 N/A THR 202.A OG1 LEU 198.A O no hydrogen 2.898 N/A THR 202.A OG1 ALA 199.A O no hydrogen 2.939 N/A PHE 205.A N THR 202.A O no hydrogen 2.964 N/A ASN 206.A N GLN 209.A OE1 no hydrogen 2.887 N/A ASN 206.A ND2 PRO 57.A O no hydrogen 3.093 N/A ALA 208.A N GLY 58.A O no hydrogen 3.144 N/A GLN 209.A N ASN 206.A OD1 no hydrogen 2.710 N/A LEU 210.A N ASN 206.A O no hydrogen 2.960 N/A LYS 211.A N GLY 207.A O no hydrogen 2.851 N/A ALA 212.A N ALA 208.A O no hydrogen 2.963 N/A VAL 213.A N GLN 209.A O no hydrogen 2.904 N/A THR 214.A N LEU 210.A O no hydrogen 3.143 N/A THR 214.A OG1 LYS 211.A O no hydrogen 2.466 N/A VAL 215.A N LYS 211.A O no hydrogen 2.969 N/A GLU 216.A N ALA 212.A O no hydrogen 2.903 N/A ALA 217.A N VAL 213.A O no hydrogen 2.912 N/A GLY 218.A N THR 214.A O no hydrogen 3.002 N/A MET 219.A N VAL 215.A O no hydrogen 3.003 N/A ILE 220.A N GLU 216.A O no hydrogen 2.764 N/A ALA 221.A N ALA 217.A O no hydrogen 3.096 N/A LEU 222.A N GLY 218.A O no hydrogen 3.025 N/A ARG 223.A N MET 219.A O no hydrogen 2.969 N/A ARG 223.A NH2 GLU 216.A OE1 no hydrogen 3.385 N/A ARG 223.A NH2 GLU 216.A OE2 no hydrogen 3.390 N/A ASN 224.A N ILE 220.A O no hydrogen 3.007 N/A GLY 225.A N LEU 222.A O no hydrogen 2.755 N/A GLN 226.A N ALA 221.A O no hydrogen 2.889 N/A GLN 226.A NE2 SER 228.A O no hydrogen 3.167 N/A GLN 226.A NE2 ASP 233.A OD2 no hydrogen 2.858 N/A SER 228.A OG ASP 190.A OD1 no hydrogen 2.672 N/A VAL 229.A N THR 188.A O no hydrogen 2.809 N/A LYS 230.A N ASP 233.A OD2 no hydrogen 2.935 N/A ASP 233.A N LYS 230.A O no hydrogen 3.177 N/A PHE 234.A N HIS 231.A O no hydrogen 3.014 N/A VAL 235.A N HIS 231.A O no hydrogen 3.126 N/A GLU 236.A N GLU 232.A O no hydrogen 3.076 N/A GLY 237.A N ASP 233.A O no hydrogen 3.025 N/A ILE 238.A N PHE 234.A O no hydrogen 2.911 N/A SER 239.A N VAL 235.A O no hydrogen 3.198 N/A GLU 240.A N GLU 236.A O no hydrogen 2.915 N/A VAL 241.A N GLY 237.A O no hydrogen 2.978 N/A GLN 242.A N ILE 238.A O no hydrogen 2.930 N/A ALA 243.A N SER 239.A O no hydrogen 3.115 N/A ARG 244.A N GLU 240.A O no hydrogen 3.152 N/A ARG 244.A NE GLU 240.A OE2 no hydrogen 3.200 N/A LYS 245.A N VAL 241.A O no hydrogen 3.183 N/A SER 246.A N GLN 242.A O no hydrogen 3.482 N/A SER 246.A OG GLN 242.A O no hydrogen 3.392 N/A LYS 247.A N ALA 243.A O no hydrogen 3.350 N/A