Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nec_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N MET 2.A O no hydrogen 3.386 N/A ASP 7.A N THR 3.A O no hydrogen 2.913 N/A ALA 8.A N GLU 4.A O no hydrogen 2.859 N/A VAL 9.A N VAL 5.A O no hydrogen 3.004 N/A TYR 10.A N PHE 6.A O no hydrogen 2.880 N/A ARG 11.A N ASP 7.A O no hydrogen 2.825 N/A ARG 11.A NE GLU 13.A OE1 no hydrogen 3.189 N/A ARG 11.A NE GLU 13.A OE2 no hydrogen 3.248 N/A ARG 11.A NH2 GLU 13.A OE1 no hydrogen 3.068 N/A GLY 12.A N ALA 8.A O no hydrogen 3.005 N/A GLY 12.A N VAL 9.A O no hydrogen 3.101 N/A GLU 13.A N ALA 8.A O no hydrogen 2.966 N/A PHE 16.A N SER 14.A OG no hydrogen 3.169 N/A GLY 17.A N SER 14.A O no hydrogen 3.114 N/A TRP 22.A NE1 TYR 10.A OH no hydrogen 2.855 N/A ASP 23.A N PRO 20.A O no hydrogen 2.993 N/A GLN 28.A N ASP 54.A OD1 no hydrogen 2.805 N/A GLN 28.A NE2 ARG 201.A O no hydrogen 2.954 N/A TYR 31.A N GLN 28.A O no hydrogen 2.971 N/A TYR 31.A OH ASP 111.A O no hydrogen 2.734 N/A TYR 31.A OH HIS 141.A O no hydrogen 3.054 N/A VAL 32.A N GLN 28.A O no hydrogen 3.105 N/A ALA 33.A N PRO 29.A O no hydrogen 2.909 N/A LEU 34.A N ALA 30.A O no hydrogen 2.872 N/A GLU 35.A N TYR 31.A O no hydrogen 3.028 N/A LYS 36.A N VAL 32.A O no hydrogen 3.072 N/A ALA 37.A N ALA 33.A O no hydrogen 2.836 N/A GLY 38.A N GLU 35.A O no hydrogen 2.966 N/A LEU 39.A N LEU 34.A O no hydrogen 3.238 N/A GLN 41.A N THR 108.A OG1 no hydrogen 3.193 N/A ALA 43.A N ASP 107.A OD2 no hydrogen 2.813 N/A VAL 44.A N ALA 64.A O no hydrogen 2.876 N/A LEU 45.A N THR 108.A O no hydrogen 2.821 N/A ASP 46.A N THR 66.A O no hydrogen 2.744 N/A ALA 47.A N ILE 110.A O no hydrogen 3.045 N/A GLY 48.A N LEU 68.A O no hydrogen 2.719 N/A CYS 49.A N LEU 68.A O no hydrogen 2.885 N/A CYS 49.A SG GLY 50.A O no hydrogen 3.605 N/A GLY 50.A N ASP 69.A OD2 no hydrogen 2.870 N/A THR 51.A OG1 ASP 23.A OD1 no hydrogen 2.545 N/A GLY 52.A N CYS 49.A O no hydrogen 3.133 N/A LEU 56.A N GLY 52.A O no hydrogen 2.768 N/A HIS 57.A N GLU 53.A O no hydrogen 3.023 N/A LEU 58.A N ASP 54.A O no hydrogen 3.213 N/A ALA 59.A N ALA 55.A O no hydrogen 2.889 N/A GLY 60.A N LEU 56.A O no hydrogen 2.994 N/A LEU 61.A N LEU 58.A O no hydrogen 3.021 N/A GLY 62.A N ALA 59.A O no hydrogen 3.075 N/A TYR 63.A N LEU 58.A O no hydrogen 3.217 N/A TYR 63.A OH GLU 35.A OE2 no hydrogen 2.586 N/A THR 66.A N VAL 44.A O no hydrogen 2.789 N/A GLY 67.A N VAL 90.A O no hydrogen 2.661 N/A LEU 68.A N ASP 46.A O no hydrogen 2.997 N/A ASP 69.A N GLU 92.A O no hydrogen 3.297 N/A SER 71.A N ASP 69.A OD1 no hydrogen 2.875 N/A SER 71.A OG ASP 7.A OD1 no hydrogen 2.656 N/A THR 73.A N ASP 7.A OD1 no hydrogen 2.980 N/A THR 73.A OG1 ASP 7.A OD1 no hydrogen 3.001 N/A THR 73.A OG1 ASP 7.A OD2 no hydrogen 3.000 N/A ALA 74.A N SER 71.A OG no hydrogen 3.102 N/A ILE 75.A N SER 71.A O no hydrogen 3.229 N/A SER 76.A N PRO 72.A O no hydrogen 2.907 N/A VAL 77.A N THR 73.A O no hydrogen 3.032 N/A ALA 78.A N ALA 74.A O no hydrogen 2.822 N/A ARG 79.A N ILE 75.A O no hydrogen 2.871 N/A ARG 79.A NE PHE 91.A O no hydrogen 2.910 N/A ARG 79.A NH2 PHE 91.A O no hydrogen 2.810 N/A ASP 80.A N SER 76.A O no hydrogen 3.046 N/A LYS 81.A N VAL 77.A O no hydrogen 2.955 N/A LYS 81.A NZ THR 51.A OG1 no hydrogen 3.005 N/A LYS 81.A NZ GLU 53.A OE2 no hydrogen 2.709 N/A ALA 82.A N ALA 78.A O no hydrogen 2.875 N/A ASP 83.A N ARG 79.A O no hydrogen 2.979 N/A ALA 84.A N ASP 80.A O no hydrogen 2.999 N/A ARG 85.A N LYS 81.A O no hydrogen 2.886 N/A ARG 85.A NH1 GLU 53.A OE1 no hydrogen 3.455 N/A ARG 85.A NH2 GLU 53.A OE1 no hydrogen 2.930 N/A GLY 86.A N ALA 82.A O no hydrogen 2.792 N/A LEU 87.A N ALA 82.A O no hydrogen 3.054 N/A VAL 90.A N VAL 65.A O no hydrogen 3.016 N/A GLU 92.A N GLY 67.A O no hydrogen 3.088 N/A ALA 94.A N ASP 69.A O no hydrogen 2.997 N/A LEU 97.A N ASP 95.A OD1 no hydrogen 3.056 N/A ASP 98.A N ASP 95.A O no hydrogen 2.809 N/A LEU 99.A N ASP 95.A O no hydrogen 2.885 N/A THR 100.A OG1 ASP 98.A OD1 no hydrogen 2.361 N/A GLY 101.A N GLU 103.A OE2 no hydrogen 2.978 N/A TRP 102.A N LEU 99.A O no hydrogen 3.347 N/A GLU 104.A N ARG 132.A O no hydrogen 2.834 N/A ARG 105.A N ALA 133.A O no hydrogen 2.866 N/A PHE 106.A N ALA 133.A O no hydrogen 3.102 N/A ASP 107.A N ALA 43.A O no hydrogen 2.818 N/A THR 108.A N ALA 43.A O no hydrogen 3.167 N/A THR 108.A OG1 GLN 41.A O no hydrogen 2.688 N/A VAL 109.A N VAL 139.A O no hydrogen 2.806 N/A ILE 110.A N LEU 45.A O no hydrogen 2.814 N/A ASP 111.A N TYR 31.A OH no hydrogen 3.189 N/A GLY 113.A N LEU 143.A O no hydrogen 3.220 N/A LEU 114.A N ASP 111.A OD1 no hydrogen 2.975 N/A ALA 115.A N ASP 111.A OD1 no hydrogen 3.391 N/A ALA 115.A N ASP 111.A OD2 no hydrogen 2.971 N/A THR 117.A N LEU 114.A O no hydrogen 2.923 N/A THR 117.A OG1 LEU 114.A O no hydrogen 2.515 N/A PHE 118.A N ALA 115.A O no hydrogen 2.902 N/A ARG 122.A N GLU 119.A O no hydrogen 3.223 N/A ARG 124.A NH2 ASP 121.A OD1 no hydrogen 2.661 N/A ALA 125.A N ASP 121.A O no hydrogen 2.955 N/A TYR 126.A N ARG 122.A O no hydrogen 3.038 N/A TYR 126.A OH ASP 111.A OD2 no hydrogen 2.709 N/A ALA 127.A N LEU 123.A O no hydrogen 2.994 N/A THR 128.A N ARG 124.A O no hydrogen 2.932 N/A THR 128.A OG1 ARG 124.A O no hydrogen 2.604 N/A ALA 129.A N ALA 125.A O no hydrogen 2.853 N/A LEU 130.A N TYR 126.A O no hydrogen 2.856 N/A HIS 131.A N ALA 127.A O no hydrogen 2.897 N/A HIS 131.A NE2 ASP 223.A OD1 no hydrogen 2.845 N/A ARG 132.A N THR 128.A O no hydrogen 2.944 N/A ALA 133.A N ALA 129.A O no hydrogen 2.985 N/A CYS 134.A N HIS 131.A O no hydrogen 3.427 N/A CYS 134.A SG LEU 130.A O no hydrogen 3.284 N/A ARG 135.A N PHE 106.A O no hydrogen 2.722 N/A GLY 137.A N ASP 223.A O no hydrogen 3.178 N/A ALA 138.A N ARG 135.A O no hydrogen 3.062 N/A VAL 139.A N ASP 107.A O no hydrogen 3.041 N/A ALA 140.A N PHE 220.A O no hydrogen 2.926 N/A HIS 141.A N VAL 109.A O no hydrogen 2.812 N/A HIS 141.A NE2 LEU 39.A O no hydrogen 3.131 N/A ILE 142.A N GLY 218.A O no hydrogen 2.963 N/A LEU 143.A N ASP 111.A O no hydrogen 2.746 N/A SER 144.A N TRP 216.A O no hydrogen 2.858 N/A ILE 145.A N HIS 116.A ND1 no hydrogen 3.360 N/A SER 146.A OG HIS 214.A ND1 no hydrogen 2.619 N/A GLY 149.A N SER 146.A OG no hydrogen 2.964 N/A SER 150.A N SER 146.A O no hydrogen 2.853 N/A ALA 151.A N ASP 147.A O no hydrogen 2.900 N/A GLU 152.A N ARG 148.A O no hydrogen 3.382 N/A MET 153.A N GLY 149.A O no hydrogen 2.902 N/A GLN 154.A N SER 150.A O no hydrogen 2.760 N/A GLN 154.A NE2 PRO 165.A O no hydrogen 2.690 N/A ALA 155.A N ALA 151.A O no hydrogen 3.228 N/A ARG 156.A N GLU 152.A O no hydrogen 3.132 N/A ARG 156.A NH2 GLU 209.A OE1 no hydrogen 3.267 N/A LEU 157.A N MET 153.A O no hydrogen 2.825 N/A ALA 158.A N GLN 154.A O no hydrogen 2.778 N/A GLU 159.A N ALA 155.A O no hydrogen 3.056 N/A ALA 160.A N ARG 156.A O no hydrogen 3.321 N/A ALA 160.A N LEU 157.A O no hydrogen 3.139 N/A ILE 161.A N LEU 157.A O no hydrogen 2.786 N/A GLU 163.A N GLU 163.A OE1 no hydrogen 2.721 N/A ILE 164.A N ILE 161.A O no hydrogen 3.185 N/A LYS 176.A N PRO 173.A O no hydrogen 3.348 N/A LYS 176.A NZ SER 178.A OG no hydrogen 3.066 N/A ARG 177.A N ASP 147.A OD2 no hydrogen 2.846 N/A ASP 180.A N SER 178.A OG no hydrogen 3.165 N/A HIS 181.A ND1 SER 178.A O no hydrogen 2.550 N/A ARG 183.A N ALA 179.A O no hydrogen 3.065 N/A ASP 184.A N ASP 180.A O no hydrogen 2.851 N/A GLY 185.A N HIS 181.A O no hydrogen 3.015 N/A PHE 186.A N LEU 182.A O no hydrogen 3.370 N/A TRP 190.A N ALA 187.A O no hydrogen 3.240 N/A TRP 190.A NE1 ALA 127.A O no hydrogen 3.108 N/A THR 191.A N ARG 221.A O no hydrogen 2.903 N/A GLU 193.A N ARG 219.A O no hydrogen 2.889 N/A SER 194.A N ARG 219.A O no hydrogen 3.313 N/A ASP 196.A N LEU 217.A O no hydrogen 2.912 N/A SER 198.A N ALA 215.A O no hydrogen 2.695 N/A LEU 199.A N SER 198.A OG no hydrogen 2.696 N/A MET 200.A N VAL 213.A O no hydrogen 2.878 N/A ARG 201.A N GLN 28.A OE1 no hydrogen 2.841 N/A ARG 201.A NE ASP 212.A OD1 no hydrogen 2.699 N/A ARG 201.A NH2 ASP 212.A OD1 no hydrogen 3.468 N/A ARG 201.A NH2 ASP 212.A OD2 no hydrogen 2.971 N/A GLY 202.A N LEU 211.A O no hydrogen 2.827 N/A VAL 203.A N PRO 21.A O no hydrogen 2.777 N/A ILE 204.A N GLU 209.A O no hydrogen 2.804 N/A SER 208.A N ILE 204.A O no hydrogen 2.700 N/A GLU 209.A N THR 207.A OG1 no hydrogen 3.142 N/A LEU 211.A N GLY 202.A O no hydrogen 2.894 N/A VAL 213.A N MET 200.A O no hydrogen 3.018 N/A HIS 214.A ND1 SER 146.A OG no hydrogen 2.619 N/A HIS 214.A NE2 GLU 197.A OE1 no hydrogen 2.707 N/A ALA 215.A N SER 198.A O no hydrogen 2.954 N/A TRP 216.A N SER 144.A O no hydrogen 2.657 N/A LEU 217.A N ASP 196.A O no hydrogen 2.841 N/A GLY 218.A N ILE 142.A O no hydrogen 2.824 N/A ARG 219.A N SER 194.A O no hydrogen 2.834 N/A PHE 220.A N ALA 140.A O no hydrogen 2.878 N/A ARG 221.A N THR 191.A O no hydrogen 2.777 N/A ARG 221.A NE GLU 193.A OE2 no hydrogen 2.829 N/A ARG 221.A NH1 GLY 137.A O no hydrogen 2.971 N/A ARG 221.A NH2 GLU 193.A OE2 no hydrogen 2.870 N/A ARG 222.A N ALA 138.A O no hydrogen 2.885 N/A ARG 222.A NE HIS 131.A O no hydrogen 2.891 N/A ARG 222.A NH1 ASP 223.A O no hydrogen 3.090 N/A ARG 222.A NH1 ASN 225.A O no hydrogen 3.112 N/A ARG 222.A NH2 HIS 131.A O no hydrogen 2.790 N/A ASP 223.A N GLY 189.A O no hydrogen 2.934 N/A ASN 225.A N ASP 223.A OD1 no hydrogen 3.006 N/A SER 226.A OG GLU 104.A OE1 no hydrogen 2.884 N/A SER 226.A OG GLU 104.A OE2 no hydrogen 3.295 N/A SER 226.A OG SER 228.A OG no hydrogen 2.817 N/A SER 228.A N SER 226.A OG no hydrogen 3.237 N/A SER 228.A OG SER 226.A OG no hydrogen 2.817 N/A ASP 230.A N SER 226.A O no hydrogen 2.857 N/A LYS 231.A N SER 227.A O no hydrogen 2.901 N/A LEU 232.A N SER 228.A O no hydrogen 3.102 N/A ALA 233.A N VAL 229.A O no hydrogen 2.974 N/A ALA 234.A N ASP 230.A O no hydrogen 2.951 N/A ALA 235.A N LYS 231.A O no hydrogen 3.001 N/A LEU 236.A N LEU 232.A O no hydrogen 3.134 N/A GLU 237.A N ALA 233.A O no hydrogen 2.957 N/A HIS 238.A N ALA 234.A O no hydrogen 2.801 N/A