Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xkc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 5.A OD2 no hydrogen 3.137 N/A SER 1.A OG SER 1.A O no hydrogen 2.660 N/A SER 1.A OG ASP 68.A OD1 no hydrogen 3.258 N/A SER 1.A OG ASP 68.A OD2 no hydrogen 3.425 N/A ARG 2.A N ASP 5.A OD2 no hydrogen 2.719 N/A ASP 5.A N ARG 2.A O no hydrogen 2.805 N/A TYR 6.A N ALA 3.A O no hydrogen 3.209 N/A TYR 6.A OH ASP 68.A OD2 no hydrogen 3.265 N/A GLU 7.A N ARG 22.A O no hydrogen 2.785 N/A LEU 9.A N LYS 20.A O no hydrogen 2.844 N/A ILE 12.A N CYS 18.A O no hydrogen 2.760 N/A GLY 13.A N CYS 18.A O no hydrogen 3.339 N/A ARG 17.A NE GLU 34.A OE1 no hydrogen 3.072 N/A ARG 17.A NH2 GLU 34.A OE1 no hydrogen 3.186 N/A CYS 18.A N GLY 13.A O no hydrogen 2.804 N/A CYS 18.A SG TRP 32.A O no hydrogen 3.946 N/A GLN 19.A N TRP 32.A O no hydrogen 3.070 N/A GLN 19.A NE2 THR 11.A OG1 no hydrogen 3.046 N/A LYS 20.A N TYR 10.A O no hydrogen 2.868 N/A LYS 20.A NZ TYR 84.A OH no hydrogen 3.365 N/A ILE 21.A N LEU 30.A O no hydrogen 2.741 N/A ARG 22.A N GLU 7.A O no hydrogen 2.822 N/A ARG 23.A N LYS 28.A O no hydrogen 2.914 N/A ARG 23.A NE ASP 26.A OD1 no hydrogen 3.012 N/A ARG 23.A NH2 ASP 26.A OD2 no hydrogen 2.856 N/A LYS 24.A N ASP 5.A O no hydrogen 2.879 N/A LYS 24.A NZ GLU 4.A O no hydrogen 2.931 N/A SER 25.A OG ASP 26.A OD1 no hydrogen 3.340 N/A GLY 27.A N ARG 23.A O no hydrogen 2.637 N/A LYS 28.A N ASP 26.A OD1 no hydrogen 3.207 N/A LEU 30.A N ILE 21.A O no hydrogen 2.774 N/A VAL 31.A N MET 82.A O no hydrogen 3.036 N/A TRP 32.A N GLN 19.A O no hydrogen 2.999 N/A TRP 32.A NE1 GLN 19.A OE1 no hydrogen 2.876 N/A LYS 33.A N ILE 80.A O no hydrogen 2.930 N/A GLU 34.A N ARG 17.A O no hydrogen 2.837 N/A LEU 35.A N LEU 78.A O no hydrogen 2.721 N/A GLY 38.A N ASP 36.A OD1 no hydrogen 3.053 N/A MET 40.A N TYR 37.A O no hydrogen 2.752 N/A ALA 43.A N THR 41.A OG1 no hydrogen 3.237 N/A GLU 44.A N THR 41.A OG1 no hydrogen 3.156 N/A LYS 45.A N THR 41.A O no hydrogen 3.066 N/A GLN 46.A N GLU 42.A O no hydrogen 3.152 N/A MET 47.A N ALA 43.A O no hydrogen 3.260 N/A LEU 48.A N GLU 44.A O no hydrogen 2.999 N/A VAL 49.A N LYS 45.A O no hydrogen 2.956 N/A SER 50.A N GLN 46.A O no hydrogen 3.398 N/A SER 50.A OG GLN 46.A O no hydrogen 3.137 N/A SER 50.A OG MET 47.A O no hydrogen 3.365 N/A GLU 51.A N MET 47.A O no hydrogen 3.023 N/A VAL 52.A N LEU 48.A O no hydrogen 3.302 N/A ASN 53.A N VAL 49.A O no hydrogen 2.987 N/A LEU 55.A N GLU 51.A O no hydrogen 3.282 N/A ARG 56.A N VAL 52.A O no hydrogen 3.043 N/A ASN 62.A N HIS 60.A ND1 no hydrogen 3.073 N/A ASN 62.A ND2 VAL 141.A O no hydrogen 2.820 N/A ILE 63.A N HIS 60.A O no hydrogen 3.060 N/A VAL 64.A N LEU 143.A O no hydrogen 2.797 N/A ARG 65.A N GLU 83.A OE2 no hydrogen 2.670 N/A ARG 65.A NH2 ARG 56.A O no hydrogen 3.335 N/A TYR 67.A N VAL 81.A O no hydrogen 2.678 N/A ASP 68.A N VAL 81.A O no hydrogen 3.289 N/A ARG 69.A N ASP 68.A OD1 no hydrogen 2.817 N/A ARG 69.A NH1 TYR 66.A OH.A no hydrogen 3.394 N/A ILE 70.A N TYR 79.A O no hydrogen 2.865 N/A ASP 72.A N THR 77.A O no hydrogen 2.972 N/A THR 74.A OG1 ASP 72.A OD2 no hydrogen 3.248 N/A THR 76.A OG1 ASP 36.A OD1 no hydrogen 3.199 N/A THR 76.A OG1 ASN 75.A O no hydrogen 2.647 N/A THR 77.A N ASP 72.A O no hydrogen 3.060 N/A THR 77.A OG1 ASN 75.A O no hydrogen 3.085 N/A LEU 78.A N LEU 35.A O no hydrogen 2.775 N/A TYR 79.A N ILE 70.A O no hydrogen 2.839 N/A ILE 80.A N LYS 33.A O no hydrogen 3.035 N/A VAL 81.A N ASP 68.A O no hydrogen 2.870 N/A MET 82.A N VAL 31.A O no hydrogen 2.808 N/A GLU 83.A N ARG 65.A O no hydrogen 2.906 N/A GLY 87.A N LEU 135.A O no hydrogen 2.727 N/A GLY 88.A N CYS 85.A O no hydrogen 3.004 N/A LEU 90.A N VAL 133.A O no hydrogen 2.844 N/A ALA 91.A N PRO 130.A O no hydrogen 3.257 N/A SER 92.A OG ASP 89.A OD1 no hydrogen 2.915 N/A ILE 94.A N LEU 90.A O no hydrogen 2.804 N/A THR 95.A N ALA 91.A O no hydrogen 2.809 N/A THR 95.A OG1 ALA 91.A O no hydrogen 3.248 N/A LYS 96.A N SER 92.A O no hydrogen 2.621 N/A GLY 97.A N VAL 93.A O no hydrogen 2.889 N/A THR 98.A N ILE 94.A O no hydrogen 3.054 N/A THR 98.A OG1 ILE 94.A O no hydrogen 3.115 N/A LYS 99.A N THR 95.A O no hydrogen 3.193 N/A GLU 100.A N LYS 96.A O no hydrogen 3.278 N/A ARG 101.A N THR 98.A O no hydrogen 3.270 N/A GLN 102.A N GLY 97.A O no hydrogen 3.116 N/A VAL 109.A N ASP 105.A O no hydrogen 3.107 N/A LEU 110.A N GLU 106.A O no hydrogen 2.930 N/A ARG 111.A N GLU 107.A O no hydrogen 3.104 N/A VAL 112.A N PHE 108.A O no hydrogen 3.000 N/A MET 113.A N VAL 109.A O no hydrogen 2.937 N/A THR 114.A N LEU 110.A O no hydrogen 2.901 N/A THR 114.A OG1 LEU 110.A O no hydrogen 2.825 N/A GLN 115.A N ARG 111.A O no hydrogen 2.925 N/A GLN 115.A NE2 GLN 139.A O no hydrogen 3.657 N/A GLN 115.A NE2 HIS 240.A O no hydrogen 2.865 N/A LEU 116.A N VAL 112.A O no hydrogen 2.782 N/A THR 117.A N MET 113.A O no hydrogen 2.970 N/A THR 117.A OG1 MET 113.A O no hydrogen 2.528 N/A LEU 118.A N THR 114.A O no hydrogen 3.116 N/A ALA 119.A N GLN 115.A O no hydrogen 3.042 N/A LEU 120.A N LEU 116.A O no hydrogen 2.937 N/A LYS 121.A N THR 117.A O no hydrogen 2.865 N/A GLU 122.A N LEU 118.A O no hydrogen 3.149 N/A CYS 123.A N ALA 119.A O no hydrogen 2.986 N/A CYS 123.A SG ALA 119.A O no hydrogen 3.378 N/A HIS 124.A N LEU 120.A O no hydrogen 2.750 N/A HIS 124.A NE2 ASP 163.A OD2 no hydrogen 2.792 N/A ARG 125.A N LYS 121.A O no hydrogen 3.213 N/A ARG 125.A NE GLU 122.A OE1 no hydrogen 3.443 N/A ARG 125.A NH2 GLU 122.A OE2 no hydrogen 2.882 N/A ARG 126.A N GLU 122.A O no hydrogen 3.318 N/A ARG 126.A N CYS 123.A O no hydrogen 3.241 N/A SER 127.A OG HIS 124.A O no hydrogen 3.506 N/A ASN 132.A N LYS 129.A O no hydrogen 2.779 N/A VAL 133.A N PRO 130.A O no hydrogen 3.240 N/A PHE 134.A N LYS 142.A O no hydrogen 2.650 N/A LEU 135.A N GLY 88.A O no hydrogen 2.899 N/A ASP 136.A N ASN 140.A O no hydrogen 3.119 N/A LYS 138.A N ASP 136.A OD1 no hydrogen 2.931 N/A LYS 138.A NZ HIS 244.A O no hydrogen 3.453 N/A ASN 140.A N ASP 136.A OD1 no hydrogen 2.842 N/A ASN 140.A ND2 ASP 136.A OD2 no hydrogen 2.974 N/A ASN 140.A ND2 HIS 243.A O no hydrogen 2.973 N/A VAL 141.A N GLN 115.A OE1 no hydrogen 2.641 N/A LYS 142.A N PHE 134.A O no hydrogen 2.749 N/A LYS 142.A NZ PRO 61.A O no hydrogen 2.706 N/A LYS 142.A NZ GLU 83.A OE1 no hydrogen 3.271 N/A LYS 142.A NZ GLU 83.A OE2 no hydrogen 3.321 N/A LEU 143.A N ASN 62.A O no hydrogen 2.760 N/A GLY 144.A N ASN 132.A O no hydrogen 2.965 N/A TYR 149.A N THR 147.A O no hydrogen 3.041 N/A TYR 150.A OH GLU 173.A OE1 no hydrogen 2.487 N/A MET 151.A N PRO 148.A O no hydrogen 3.161 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.979 N/A GLN 155.A N SER 152.A O no hydrogen 2.875 N/A GLN 155.A N SER 152.A OG no hydrogen 3.283 N/A ASN 157.A N GLU 154.A O no hydrogen 3.088 N/A ASN 159.A ND2 GLU 154.A OE2 no hydrogen 3.441 N/A LYS 161.A N ASN 159.A OD1 no hydrogen 3.356 N/A LYS 161.A NZ ASP 221.A O no hydrogen 3.342 N/A LYS 161.A NZ ARG 224.A O no hydrogen 3.044 N/A SER 162.A N ASN 159.A O no hydrogen 3.109 N/A SER 162.A OG GLU 154.A OE2 no hydrogen 2.925 N/A ASP 163.A N GLU 160.A O no hydrogen 3.003 N/A TRP 165.A N LYS 161.A O no hydrogen 3.186 N/A SER 166.A N SER 162.A O no hydrogen 3.153 N/A SER 166.A OG TYR 150.A O no hydrogen 3.179 N/A SER 166.A OG SER 162.A O no hydrogen 3.481 N/A LEU 167.A N ASP 163.A O no hydrogen 2.837 N/A GLY 168.A N ILE 164.A O no hydrogen 2.729 N/A CYS 169.A N TRP 165.A O no hydrogen 2.826 N/A CYS 169.A SG TRP 165.A O no hydrogen 3.450 N/A LEU 170.A N SER 166.A O no hydrogen 2.991 N/A LEU 171.A N LEU 167.A O no hydrogen 2.871 N/A TYR 172.A N GLY 168.A O no hydrogen 3.098 N/A TYR 172.A OH ARG 199.A O no hydrogen 2.798 N/A GLU 173.A N CYS 169.A O no hydrogen 3.019 N/A LEU 174.A N LEU 170.A O no hydrogen 3.005 N/A CYS 175.A N LEU 171.A O no hydrogen 3.091 N/A CYS 175.A SG LEU 171.A O no hydrogen 3.525 N/A ALA 176.A N TYR 172.A O no hydrogen 2.812 N/A PHE 184.A N GLU 188.A OE1 no hydrogen 3.221 N/A GLU 188.A N SER 185.A OG no hydrogen 3.004 N/A LEU 189.A N SER 185.A O no hydrogen 2.884 N/A ALA 190.A N GLN 186.A O no hydrogen 2.950 N/A GLY 191.A N LYS 187.A O no hydrogen 3.046 N/A LYS 192.A N GLU 188.A O no hydrogen 3.047 N/A LYS 192.A NZ THR 182.A O no hydrogen 2.827 N/A ILE 193.A N LEU 189.A O no hydrogen 2.919 N/A ARG 194.A N ALA 190.A O no hydrogen 3.190 N/A GLU 195.A N GLY 191.A O no hydrogen 3.347 N/A GLU 195.A N LYS 192.A O no hydrogen 3.107 N/A GLY 196.A N LYS 192.A O no hydrogen 3.103 N/A ARG 200.A NH1 ILE 201.A O no hydrogen 2.747 N/A ARG 200.A NH1 PRO 202.A O no hydrogen 2.952 N/A ARG 200.A NH1 TYR 205.A O no hydrogen 3.397 N/A ARG 200.A NH2 TYR 205.A O no hydrogen 2.929 N/A ARG 200.A NH2 ASP 207.A OD1 no hydrogen 2.888 N/A TYR 205.A N PRO 202.A O no hydrogen 3.151 N/A TYR 205.A OH LEU 104.A O no hydrogen 2.775 N/A TYR 205.A OH CYS 175.A O no hydrogen 3.430 N/A SER 206.A N GLU 106.A OE1 no hydrogen 3.074 N/A SER 206.A OG GLU 106.A OE2 no hydrogen 2.781 N/A SER 206.A OG GLU 208.A OE1 no hydrogen 3.564 N/A LEU 209.A N SER 206.A OG no hydrogen 3.238 N/A ASN 210.A N SER 206.A O no hydrogen 3.060 N/A GLU 211.A N ASP 207.A O no hydrogen 2.771 N/A ILE 212.A N GLU 208.A O no hydrogen 3.275 N/A ILE 213.A N LEU 209.A O no hydrogen 3.129 N/A THR 214.A N ASN 210.A O no hydrogen 2.928 N/A THR 214.A OG1 ASN 210.A O no hydrogen 2.814 N/A ARG 215.A N GLU 211.A O no hydrogen 2.908 N/A ARG 215.A NH2 GLU 211.A OE1 no hydrogen 3.164 N/A MET 216.A N ILE 212.A O no hydrogen 3.030 N/A LEU 217.A N ILE 213.A O no hydrogen 3.194 N/A LEU 217.A N THR 214.A O no hydrogen 3.016 N/A ASN 218.A N ARG 215.A O no hydrogen 3.176 N/A LYS 220.A N ASN 218.A OD1 no hydrogen 3.003 N/A HIS 223.A N LYS 220.A O no hydrogen 2.723 N/A ARG 224.A N ASP 221.A O no hydrogen 3.084 N/A ARG 224.A NE ASN 218.A O no hydrogen 2.737 N/A ARG 224.A NH1 GLU 154.A OE2 no hydrogen 2.541 N/A ARG 224.A NH1 LYS 161.A O no hydrogen 2.890 N/A ARG 224.A NH2 GLU 154.A OE1 no hydrogen 2.870 N/A ARG 224.A NH2 ASN 218.A O no hydrogen 3.193 N/A SER 226.A N GLU 229.A OE2 no hydrogen 2.900 N/A SER 226.A OG GLU 228.A OE2 no hydrogen 3.550 N/A GLU 228.A N GLU 228.A OE2 no hydrogen 2.700 N/A GLU 229.A N SER 226.A OG no hydrogen 3.123 N/A ILE 230.A N SER 226.A O no hydrogen 2.908 N/A LEU 231.A N VAL 227.A O no hydrogen 3.276 N/A GLU 232.A N GLU 228.A O no hydrogen 3.144 N/A ASN 233.A N ILE 230.A O no hydrogen 3.112 N/A LEU 235.A N ASN 233.A OD1 no hydrogen 2.938 N/A ILE 236.A N ASN 233.A O no hydrogen 2.875 N/A LEU 237.A N HIS 240.A ND1 no hydrogen 2.885 N/A HIS 239.A NE2 GLU 107.A OE2 no hydrogen 2.678 N/A HIS 240.A N LEU 237.A O no hydrogen 3.091 N/A HIS 240.A NE2 GLU 107.A OE1 no hydrogen 2.850 N/A HIS 241.A N GLU 238.A O no hydrogen 2.864 N/A HIS 241.A ND1 LEU 237.A O no hydrogen 2.942 N/A HIS 243.A N ASN 140.A OD1 no hydrogen 3.070 N/A HIS 243.A NE2 GLU 238.A OE1 no hydrogen 3.247 N/A HIS 243.A NE2 GLU 238.A OE2 no hydrogen 3.067 N/A