Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1hw1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 10.A OE2 no hydrogen 2.887 N/A GLY 6.A N SER 3.A OG no hydrogen 3.034 N/A PHE 7.A N SER 3.A O no hydrogen 2.868 N/A ALA 8.A N PRO 4.A O no hydrogen 2.936 N/A GLU 9.A N ALA 5.A O no hydrogen 2.872 N/A GLU 10.A N GLY 6.A O no hydrogen 3.055 N/A TYR 11.A N PHE 7.A O no hydrogen 2.902 N/A ILE 12.A N ALA 8.A O no hydrogen 2.999 N/A ILE 13.A N GLU 9.A O no hydrogen 3.031 N/A GLU 14.A N GLU 10.A O no hydrogen 2.910 N/A SER 15.A N TYR 11.A O no hydrogen 2.915 N/A SER 15.A OG TYR 11.A O no hydrogen 2.884 N/A ILE 16.A N ILE 12.A O no hydrogen 2.957 N/A ILE 16.A N ILE 13.A O no hydrogen 3.152 N/A TRP 17.A N ILE 13.A O no hydrogen 2.935 N/A ASN 18.A N GLU 14.A O no hydrogen 2.861 N/A ASN 19.A N ILE 16.A O no hydrogen 3.139 N/A ARG 20.A N SER 15.A O no hydrogen 2.653 N/A PHE 21.A N SER 15.A O no hydrogen 2.951 N/A GLY 24.A N VAL 67.A O no hydrogen 2.802 N/A THR 25.A N PRO 22.A O no hydrogen 3.083 N/A THR 25.A OG1 PRO 22.A O no hydrogen 2.623 N/A LEU 27.A N THR 65.A O no hydrogen 2.710 N/A LEU 33.A N ALA 29.A O no hydrogen 2.894 N/A SER 34.A N GLU 30.A O no hydrogen 2.755 N/A SER 34.A OG GLU 30.A O no hydrogen 3.077 N/A SER 34.A OG ARG 31.A O no hydrogen 2.936 N/A GLU 35.A N ARG 31.A O no hydrogen 3.141 N/A LEU 36.A N GLU 32.A O no hydrogen 2.935 N/A ILE 37.A N LEU 33.A O no hydrogen 2.947 N/A GLY 38.A N SER 34.A O no hydrogen 2.781 N/A VAL 39.A N SER 34.A O no hydrogen 3.203 N/A THR 40.A OG1 THR 42.A OG1 no hydrogen 3.070 N/A THR 40.A OG1 THR 43.A OG1 no hydrogen 3.030 N/A THR 42.A OG1 THR 40.A OG1 no hydrogen 3.070 N/A THR 43.A N THR 40.A OG1 no hydrogen 3.113 N/A THR 43.A OG1 THR 40.A OG1 no hydrogen 3.030 N/A LEU 44.A N THR 40.A O no hydrogen 2.916 N/A ARG 45.A N ARG 41.A O no hydrogen 2.882 N/A GLU 46.A N THR 42.A O no hydrogen 3.082 N/A VAL 47.A N THR 43.A O no hydrogen 3.049 N/A LEU 48.A N LEU 44.A O no hydrogen 2.801 N/A GLN 49.A N ARG 45.A O no hydrogen 2.962 N/A ARG 50.A N GLU 46.A O no hydrogen 3.096 N/A LEU 51.A N VAL 47.A O no hydrogen 2.858 N/A ALA 52.A N LEU 48.A O no hydrogen 2.854 N/A ARG 53.A N GLN 49.A O no hydrogen 3.101 N/A ASP 54.A N ARG 50.A O no hydrogen 3.151 N/A ASP 54.A N LEU 51.A O no hydrogen 3.233 N/A GLY 55.A N ALA 52.A O no hydrogen 2.990 N/A TRP 56.A N LEU 51.A O no hydrogen 2.983 N/A THR 58.A N LYS 66.A O no hydrogen 3.014 N/A THR 58.A OG1 ASN 68.A OD1 no hydrogen 2.664 N/A LYS 63.A N GLN 60.A O no hydrogen 3.190 N/A LYS 63.A NZ GLN 60.A OE1 no hydrogen 3.413 N/A LYS 66.A N THR 58.A O no hydrogen 3.110 N/A VAL 67.A N THR 25.A O no hydrogen 2.827 N/A ASN 68.A N TRP 56.A O no hydrogen 2.965 N/A ASN 68.A ND2 GLY 55.A O no hydrogen 3.140 N/A ASN 68.A ND2 THR 58.A OG1 no hydrogen 2.773 N/A ASN 69.A ND2 GLU 72.A OE2 no hydrogen 2.611 N/A TRP 71.A N ASN 69.A OD1 no hydrogen 3.280 N/A GLU 72.A N ASN 69.A O no hydrogen 2.685 N/A THR 73.A N ASN 69.A O no hydrogen 3.166 N/A THR 73.A OG1 GLY 55.A O no hydrogen 2.605 N/A THR 73.A OG1 ASN 69.A O no hydrogen 3.353 N/A SER 74.A N PHE 70.A O no hydrogen 2.860 N/A SER 74.A OG ASP 54.A O no hydrogen 2.794 N/A GLY 75.A N ASN 77.A OD1 no hydrogen 3.109 N/A ASN 77.A ND2 ASP 54.A O no hydrogen 3.193 N/A ILE 78.A N GLY 75.A O no hydrogen 3.255 N/A LEU 79.A N LEU 76.A O no hydrogen 3.088 N/A LEU 82.A N ILE 78.A O no hydrogen 2.841 N/A ALA 83.A N LEU 79.A O no hydrogen 3.096 N/A ARG 84.A N GLU 80.A O no hydrogen 3.187 N/A ARG 84.A NH2 THR 81.A OG1 no hydrogen 2.674 N/A LEU 85.A N THR 81.A O no hydrogen 2.909 N/A ASP 86.A N LEU 82.A O no hydrogen 3.140 N/A SER 89.A N ASP 86.A O no hydrogen 3.112 N/A SER 89.A N ASP 86.A OD1 no hydrogen 3.231 N/A SER 89.A OG ASP 86.A OD2 no hydrogen 2.734 N/A VAL 90.A N HIS 87.A O no hydrogen 3.073 N/A GLN 92.A NE2 GLN 92.A O no hydrogen 3.153 N/A GLN 92.A NE2 ASN 96.A OD1 no hydrogen 3.042 N/A LEU 93.A N SER 89.A O no hydrogen 3.068 N/A ILE 94.A N VAL 90.A O no hydrogen 2.875 N/A ASP 95.A N PRO 91.A O no hydrogen 3.077 N/A ASN 96.A N GLN 92.A O no hydrogen 2.884 N/A LEU 97.A N LEU 93.A O no hydrogen 2.932 N/A LEU 98.A N ILE 94.A O no hydrogen 2.942 N/A SER 99.A N ASP 95.A O no hydrogen 2.994 N/A VAL 100.A N ASN 96.A O no hydrogen 3.024 N/A ARG 101.A N LEU 97.A O no hydrogen 2.986 N/A ARG 101.A NE TYR 168.A OH no hydrogen 2.753 N/A ARG 101.A NH1 THR 102.A OG1 no hydrogen 2.904 N/A ARG 101.A NH2 TYR 168.A OH no hydrogen 3.315 N/A THR 102.A N LEU 98.A O no hydrogen 2.952 N/A THR 102.A OG1 LEU 98.A O no hydrogen 3.131 N/A ASN 103.A N SER 99.A O no hydrogen 2.925 N/A ASN 103.A ND2 SER 99.A O no hydrogen 3.036 N/A ILE 104.A N VAL 100.A O no hydrogen 2.863 N/A SER 105.A N ARG 101.A O no hydrogen 3.032 N/A SER 105.A OG ARG 101.A O no hydrogen 3.011 N/A SER 105.A OG THR 102.A O no hydrogen 2.911 N/A THR 106.A N THR 102.A O no hydrogen 3.217 N/A THR 106.A N ASN 103.A O no hydrogen 3.271 N/A THR 106.A OG1 ASN 103.A O no hydrogen 2.588 N/A ILE 107.A N ILE 104.A O no hydrogen 3.009 N/A PHE 108.A N ILE 104.A O no hydrogen 3.311 N/A ILE 109.A N SER 105.A O no hydrogen 2.857 N/A ARG 110.A N THR 106.A O no hydrogen 3.437 N/A THR 111.A N ILE 107.A O no hydrogen 3.101 N/A THR 111.A OG1 ILE 107.A O no hydrogen 3.108 N/A ALA 112.A N PHE 108.A O no hydrogen 2.852 N/A PHE 113.A N ILE 109.A O no hydrogen 2.981 N/A ARG 114.A N ARG 110.A O no hydrogen 3.195 N/A ARG 114.A N THR 111.A O no hydrogen 3.179 N/A GLN 115.A N THR 111.A O no hydrogen 2.817 N/A HIS 116.A N ALA 112.A O no hydrogen 2.845 N/A LYS 119.A NZ GLU 122.A OE1 no hydrogen 2.973 N/A ALA 120.A N HIS 116.A O no hydrogen 3.038 N/A GLN 121.A N PRO 117.A O no hydrogen 2.859 N/A GLN 121.A NE2 SER 193.A O no hydrogen 3.212 N/A GLU 122.A N ASP 118.A O no hydrogen 3.041 N/A VAL 123.A N LYS 119.A O no hydrogen 3.026 N/A LEU 124.A N ALA 120.A O no hydrogen 2.986 N/A ALA 125.A N GLN 121.A O no hydrogen 2.921 N/A THR 126.A N VAL 123.A O no hydrogen 3.148 N/A THR 126.A OG1 VAL 123.A O no hydrogen 2.637 N/A ALA 127.A N LEU 124.A O no hydrogen 3.252 N/A ASN 128.A N ALA 125.A O no hydrogen 3.042 N/A VAL 130.A N ALA 127.A O no hydrogen 3.266 N/A PHE 137.A N HIS 133.A O no hydrogen 3.057 N/A ALA 138.A N ALA 134.A O no hydrogen 2.829 N/A GLU 139.A N ASP 135.A O no hydrogen 3.253 N/A LEU 140.A N ALA 136.A O no hydrogen 2.950 N/A ASP 141.A N PHE 137.A O no hydrogen 2.765 N/A TYR 142.A N ALA 138.A O no hydrogen 3.171 N/A TYR 142.A OH LEU 161.A O no hydrogen 3.233 N/A ASN 143.A N GLU 139.A O no hydrogen 2.825 N/A ILE 144.A N LEU 140.A O no hydrogen 2.833 N/A PHE 145.A N ASP 141.A O no hydrogen 3.140 N/A ARG 146.A N TYR 142.A O no hydrogen 2.882 N/A ARG 146.A NE ASN 162.A OD1 no hydrogen 2.906 N/A GLY 147.A N ASN 143.A O no hydrogen 2.761 N/A LEU 148.A N ILE 144.A O no hydrogen 2.869 N/A ALA 149.A N PHE 145.A O no hydrogen 2.957 N/A PHE 150.A N ARG 146.A O no hydrogen 3.058 N/A ALA 151.A N GLY 147.A O no hydrogen 2.896 N/A SER 152.A N ALA 149.A O no hydrogen 3.304 N/A SER 152.A OG ALA 149.A O no hydrogen 2.640 N/A GLY 153.A N PHE 150.A O no hydrogen 3.005 N/A ASN 154.A N SER 152.A OG no hydrogen 3.028 N/A ILE 156.A N ASN 154.A OD1 no hydrogen 3.117 N/A TYR 157.A N ASN 154.A O no hydrogen 3.224 N/A LEU 159.A N PRO 155.A O no hydrogen 3.011 N/A ILE 160.A N ILE 156.A O no hydrogen 3.121 N/A LEU 161.A N TYR 157.A O no hydrogen 3.047 N/A ASN 162.A N GLY 158.A O no hydrogen 2.825 N/A GLY 163.A N LEU 159.A O no hydrogen 3.086 N/A MET 164.A N ILE 160.A O no hydrogen 3.102 N/A LYS 165.A N LEU 161.A O no hydrogen 2.986 N/A LYS 165.A N ASN 162.A O no hydrogen 3.350 N/A TYR 168.A N MET 164.A O no hydrogen 2.880 N/A TYR 168.A OH ASP 141.A OD2 no hydrogen 2.557 N/A THR 169.A N LYS 165.A O no hydrogen 2.852 N/A THR 169.A OG1 LYS 165.A O no hydrogen 2.760 N/A THR 169.A OG1 GLY 166.A O no hydrogen 3.350 N/A ARG 170.A N GLY 166.A O no hydrogen 3.253 N/A ARG 170.A NH2 GLU 80.A OE2 no hydrogen 3.140 N/A ILE 171.A N LEU 167.A O no hydrogen 3.038 N/A GLY 172.A N TYR 168.A O no hydrogen 3.008 N/A ARG 173.A N THR 169.A O no hydrogen 2.852 N/A ARG 173.A NH1 THR 169.A OG1 no hydrogen 3.311 N/A HIS 174.A N ILE 171.A O no hydrogen 3.039 N/A HIS 174.A ND1 ARG 170.A O no hydrogen 2.994 N/A TYR 175.A N ILE 171.A O no hydrogen 2.760 N/A PHE 176.A N GLY 172.A O no hydrogen 2.835 N/A ALA 177.A N HIS 174.A O no hydrogen 3.163 N/A ASN 178.A N TYR 175.A O no hydrogen 3.181 N/A GLU 180.A N ASN 178.A OD1 no hydrogen 2.819 N/A ALA 181.A N ASN 178.A O no hydrogen 2.951 N/A ARG 182.A N ASN 178.A O no hydrogen 3.340 N/A ARG 182.A NE ASP 132.A OD1 no hydrogen 2.700 N/A ARG 182.A NH1 PHE 176.A O no hydrogen 2.810 N/A ARG 182.A NH2 ASP 132.A OD1 no hydrogen 3.461 N/A ARG 182.A NH2 ASP 132.A OD2 no hydrogen 3.317 N/A SER 183.A N PRO 179.A O no hydrogen 3.069 N/A LEU 184.A N GLU 180.A O no hydrogen 2.879 N/A ALA 185.A N ALA 181.A O no hydrogen 3.112 N/A LEU 186.A N ARG 182.A O no hydrogen 3.017 N/A GLY 187.A N SER 183.A O no hydrogen 3.017 N/A PHE 188.A N LEU 184.A O no hydrogen 3.003 N/A TYR 189.A N ALA 185.A O no hydrogen 2.920 N/A TYR 189.A OH ASP 141.A OD1 no hydrogen 2.633 N/A HIS 190.A N LEU 186.A O no hydrogen 3.004 N/A LYS 191.A N GLY 187.A O no hydrogen 2.893 N/A LEU 192.A N PHE 188.A O no hydrogen 2.839 N/A SER 193.A N TYR 189.A O no hydrogen 3.030 N/A SER 193.A OG GLN 121.A OE1 no hydrogen 2.764 N/A ALA 194.A N HIS 190.A O no hydrogen 3.105 N/A LEU 195.A N LYS 191.A O no hydrogen 2.879 N/A CYS 196.A N LEU 192.A O no hydrogen 2.891 N/A CYS 196.A SG PRO 117.A O no hydrogen 3.872 N/A SER 197.A N SER 193.A O no hydrogen 2.942 N/A SER 197.A OG SER 193.A O no hydrogen 3.110 N/A GLU 198.A N ALA 194.A O no hydrogen 2.943 N/A GLY 199.A N CYS 196.A O no hydrogen 3.114 N/A ALA 200.A N LEU 195.A O no hydrogen 2.965 N/A VAL 204.A N HIS 201.A O no hydrogen 2.722 N/A GLU 206.A N ASP 202.A O no hydrogen 3.115 N/A THR 207.A N GLN 203.A O no hydrogen 2.787 N/A THR 207.A OG1 GLN 203.A O no hydrogen 2.725 N/A VAL 208.A N VAL 204.A O no hydrogen 2.924 N/A ARG 209.A N TYR 205.A O no hydrogen 2.952 N/A ARG 209.A NH1 ASN 103.A OD1 no hydrogen 2.625 N/A ARG 210.A N GLU 206.A O no hydrogen 2.933 N/A TYR 211.A N THR 207.A O no hydrogen 2.981 N/A GLY 212.A N VAL 208.A O no hydrogen 2.936 N/A HIS 213.A N ARG 209.A O no hydrogen 2.960 N/A GLU 214.A N ARG 210.A O no hydrogen 2.868 N/A SER 215.A N TYR 211.A O no hydrogen 2.832 N/A SER 215.A OG TYR 211.A O no hydrogen 2.664 N/A SER 215.A OG GLY 212.A O no hydrogen 3.301 N/A GLY 216.A N GLY 212.A O no hydrogen 2.916 N/A GLU 217.A N HIS 213.A O no hydrogen 2.955 N/A ILE 218.A N GLU 214.A O no hydrogen 3.142 N/A TRP 219.A N SER 215.A O no hydrogen 2.944 N/A HIS 220.A N GLY 216.A O no hydrogen 2.843 N/A ARG 221.A N GLU 217.A O no hydrogen 3.041 N/A MET 222.A N ILE 218.A O no hydrogen 3.215 N/A MET 222.A N TRP 219.A O no hydrogen 2.991 N/A GLN 223.A N TRP 219.A O no hydrogen 2.773 N/A GLN 223.A NE2 GLN 223.A O no hydrogen 2.979 N/A LYS 224.A N HIS 220.A O no hydrogen 2.874 N/A ASN 225.A N MET 222.A O no hydrogen 3.189 N/A ASN 225.A ND2 MET 222.A O no hydrogen 3.565 N/A LEU 226.A N GLN 223.A O no hydrogen 2.877 N/A