Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1k0a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG SER 1.A O no hydrogen 2.534 N/A SER 1.A OG THR 4.A OG1 no hydrogen 3.266 N/A ARG 2.A NE GLU 51.A OE1 no hydrogen 3.434 N/A ARG 2.A NH2 PHE 44.A O no hydrogen 3.154 N/A ILE 3.A N SER 1.A O no hydrogen 2.393 N/A THR 4.A OG1 SER 1.A OG no hydrogen 3.266 N/A THR 4.A OG1 GLU 56.A OE1 no hydrogen 3.084 N/A LYS 5.A NZ GLU 9.A OE1 no hydrogen 3.463 N/A LYS 5.A NZ GLU 9.A OE2 no hydrogen 3.191 N/A PHE 6.A N ARG 2.A O no hydrogen 2.933 N/A PHE 7.A N ILE 3.A O no hydrogen 3.043 N/A GLN 8.A N LYS 5.A O no hydrogen 2.937 N/A GLU 9.A N PHE 6.A O no hydrogen 2.822 N/A TYR 15.A N HIS 39.A O no hydrogen 3.221 N/A THR 16.A N ILE 70.A O no hydrogen 3.218 N/A THR 16.A OG1 HIS 72.A NE2 no hydrogen 2.657 N/A LEU 17.A N ASN 41.A O no hydrogen 2.771 N/A PHE 18.A N ALA 68.A O no hydrogen 2.919 N/A SER 19.A N ILE 43.A O no hydrogen 2.978 N/A SER 19.A OG HIS 20.A O no hydrogen 3.452 N/A HIS 20.A N SER 19.A OG no hydrogen 2.622 N/A ALA 23.A N HIS 20.A O no hydrogen 3.043 N/A PHE 27.A N ALA 23.A O no hydrogen 3.053 N/A LYS 28.A N PRO 24.A O no hydrogen 2.791 N/A LYS 28.A NZ SER 82.A OG no hydrogen 2.678 N/A ALA 30.A N GLY 26.A O no hydrogen 3.271 N/A ILE 31.A N PHE 27.A O no hydrogen 2.794 N/A VAL 32.A N LYS 28.A O no hydrogen 3.144 N/A LEU 33.A N VAL 29.A O no hydrogen 2.749 N/A SER 34.A N ALA 30.A O no hydrogen 2.775 N/A SER 34.A OG ALA 30.A O no hydrogen 2.909 N/A SER 34.A OG TYR 40.A OH no hydrogen 3.384 N/A GLU 35.A N ILE 31.A O no hydrogen 2.743 N/A LEU 36.A N VAL 32.A O no hydrogen 2.893 N/A GLY 37.A N SER 34.A O no hydrogen 2.805 N/A PHE 38.A N LEU 33.A O no hydrogen 3.024 N/A TYR 40.A OH SER 34.A OG no hydrogen 3.384 N/A ASN 41.A N TYR 15.A O no hydrogen 3.086 N/A ILE 43.A N LEU 17.A O no hydrogen 2.694 N/A LEU 45.A N SER 19.A O no hydrogen 3.121 N/A ASP 46.A N GLU 51.A OE1 no hydrogen 2.738 N/A LEU 49.A N ASP 46.A O no hydrogen 3.151 N/A LEU 49.A N ASP 46.A OD1 no hydrogen 2.737 N/A GLY 50.A N PHE 47.A O no hydrogen 2.809 N/A GLU 51.A N ASP 46.A O no hydrogen 3.260 N/A ARG 53.A N GLY 50.A O no hydrogen 3.303 N/A ALA 54.A N GLU 51.A O no hydrogen 3.026 N/A GLU 56.A N GLU 56.A OE2 no hydrogen 2.743 N/A PHE 57.A N ALA 54.A O no hydrogen 2.641 N/A VAL 58.A N ALA 54.A O no hydrogen 3.149 N/A SER 59.A OG PRO 55.A O no hydrogen 2.648 N/A VAL 60.A N PHE 57.A O no hydrogen 2.624 N/A ASN 61.A N PHE 57.A O no hydrogen 2.860 N/A ASN 61.A ND2 ARG 65.A O no hydrogen 2.487 N/A ASN 63.A N ASN 61.A OD1 no hydrogen 3.041 N/A ALA 64.A N ASN 61.A O no hydrogen 2.964 N/A ARG 65.A NH1 ALA 64.A O no hydrogen 3.217 N/A ALA 68.A N PHE 18.A O no hydrogen 3.327 N/A LEU 69.A N ILE 79.A O no hydrogen 2.827 N/A ILE 70.A N THR 16.A O no hydrogen 3.100 N/A ASP 71.A N LEU 77.A O no hydrogen 2.671 N/A HIS 72.A N GLY 14.A O no hydrogen 2.940 N/A HIS 72.A ND1 ASN 76.A OD1 no hydrogen 2.771 N/A HIS 72.A NE2 THR 16.A OG1 no hydrogen 2.657 N/A MET 74.A N ASP 71.A O no hydrogen 3.243 N/A MET 74.A N ASP 71.A OD1 no hydrogen 3.147 N/A ASN 76.A N HIS 72.A O no hydrogen 3.394 N/A LEU 77.A N ASP 71.A O no hydrogen 3.060 N/A SER 78.A OG VAL 60.A O no hydrogen 2.662 N/A ILE 79.A N LEU 69.A O no hydrogen 2.891 N/A ALA 84.A N GLU 81.A O no hydrogen 3.002 N/A ILE 85.A N GLU 81.A O no hydrogen 3.042 N/A LEU 86.A N SER 82.A O no hydrogen 2.906 N/A LEU 87.A N GLY 83.A O no hydrogen 3.174 N/A HIS 88.A N ALA 84.A O no hydrogen 3.014 N/A LEU 89.A N ILE 85.A O no hydrogen 2.947 N/A VAL 90.A N LEU 86.A O no hydrogen 3.167 N/A ASN 91.A N LEU 87.A O no hydrogen 3.197 N/A ASN 91.A ND2 LEU 87.A O no hydrogen 3.020 N/A LYS 92.A N HIS 88.A O no hydrogen 2.994 N/A LYS 92.A NZ TYR 15.A OH no hydrogen 2.555 N/A LYS 92.A NZ ASP 71.A OD2 no hydrogen 2.618 N/A TYR 93.A N LEU 89.A O no hydrogen 2.861 N/A TYR 94.A N VAL 90.A O no hydrogen 2.919 N/A LYS 95.A N ASN 91.A O no hydrogen 3.074 N/A GLU 96.A N LYS 92.A O no hydrogen 3.154 N/A GLU 96.A N TYR 93.A O no hydrogen 3.235 N/A THR 97.A N TYR 93.A O no hydrogen 3.121 N/A THR 97.A OG1 TYR 93.A O no hydrogen 3.010 N/A GLY 98.A N TYR 94.A O no hydrogen 2.858 N/A ASN 99.A N THR 97.A OG1 no hydrogen 3.111 N/A LEU 101.A N ASN 99.A O no hydrogen 2.882 N/A TRP 103.A N PRO 100.A O no hydrogen 2.888 N/A SER 104.A OG ASP 106.A O no hydrogen 3.507 N/A ASP 105.A N ASP 105.A OD2 no hydrogen 2.554 N/A ASP 106.A N SER 104.A OG no hydrogen 3.094 N/A GLN 110.A N ASP 106.A O no hydrogen 3.085 N/A SER 111.A N LEU 107.A O no hydrogen 2.979 N/A SER 111.A OG LEU 107.A O no hydrogen 3.491 N/A SER 111.A OG ALA 108.A O no hydrogen 2.664 N/A GLN 112.A N ALA 108.A O no hydrogen 3.256 N/A ILE 113.A N ASP 109.A O no hydrogen 2.869 N/A ASN 114.A N GLN 110.A O no hydrogen 2.728 N/A ALA 115.A N SER 111.A O no hydrogen 2.876 N/A TRP 116.A N GLN 112.A O no hydrogen 3.098 N/A LEU 117.A N ILE 113.A O no hydrogen 2.870 N/A PHE 118.A N ASN 114.A O no hydrogen 2.747 N/A PHE 119.A N ALA 115.A O no hydrogen 2.991 N/A GLN 120.A N TRP 116.A O no hydrogen 2.803 N/A THR 121.A N LEU 117.A O no hydrogen 3.075 N/A THR 121.A OG1 LEU 117.A O no hydrogen 3.250 N/A THR 121.A OG1 PHE 118.A O no hydrogen 3.408 N/A SER 122.A N PHE 118.A O no hydrogen 2.840 N/A SER 122.A OG PHE 118.A O no hydrogen 2.842 N/A GLY 123.A N PHE 119.A O no hydrogen 2.829 N/A HIS 124.A N PHE 119.A O no hydrogen 3.135 N/A HIS 124.A N GLN 120.A O no hydrogen 3.269 N/A HIS 124.A ND1 GLN 120.A OE1 no hydrogen 3.122 N/A HIS 124.A NE2 TYR 157.A OH no hydrogen 2.898 N/A ALA 125.A N GLN 120.A O no hydrogen 2.892 N/A ILE 128.A N HIS 124.A O no hydrogen 3.017 N/A GLY 129.A N ALA 125.A O no hydrogen 2.910 N/A GLN 130.A N PRO 126.A O no hydrogen 2.969 N/A GLN 130.A N MET 127.A O no hydrogen 3.253 N/A ALA 131.A N MET 127.A O no hydrogen 3.101 N/A LEU 132.A N ILE 128.A O no hydrogen 3.049 N/A HIS 133.A N GLY 129.A O no hydrogen 3.054 N/A PHE 134.A N GLN 130.A O no hydrogen 3.101 N/A ARG 135.A N ALA 131.A O no hydrogen 3.084 N/A TYR 136.A N LEU 132.A O no hydrogen 2.946 N/A TYR 136.A OH ARG 202.A O no hydrogen 2.618 N/A PHE 137.A N HIS 133.A O no hydrogen 2.742 N/A ALA 145.A N ILE 142.A O no hydrogen 3.110 N/A VAL 146.A N ILE 142.A O no hydrogen 3.224 N/A GLU 147.A N ALA 143.A O no hydrogen 2.962 N/A ARG 148.A N SER 144.A O no hydrogen 3.096 N/A TYR 149.A N ALA 145.A O no hydrogen 3.305 N/A THR 150.A N VAL 146.A O no hydrogen 2.966 N/A THR 150.A OG1 VAL 146.A O no hydrogen 2.370 N/A ASP 151.A N GLU 147.A O no hydrogen 2.718 N/A GLU 152.A N ARG 148.A O no hydrogen 3.064 N/A VAL 153.A N TYR 149.A O no hydrogen 3.038 N/A ARG 154.A N THR 150.A O no hydrogen 3.190 N/A ARG 154.A NE GLU 210.A OE1 no hydrogen 2.538 N/A ARG 154.A NH2 GLU 210.A OE2 no hydrogen 3.072 N/A ARG 155.A N ASP 151.A O no hydrogen 2.762 N/A ARG 155.A NH2 GLU 152.A OE1 no hydrogen 3.121 N/A VAL 156.A N GLU 152.A O no hydrogen 2.831 N/A TYR 157.A N VAL 153.A O no hydrogen 3.081 N/A GLY 158.A N ARG 154.A O no hydrogen 2.908 N/A VAL 159.A N ARG 155.A O no hydrogen 3.152 N/A VAL 160.A N VAL 156.A O no hydrogen 3.200 N/A GLU 161.A N TYR 157.A O no hydrogen 2.813 N/A MET 162.A N GLY 158.A O no hydrogen 2.954 N/A ALA 163.A N VAL 159.A O no hydrogen 3.185 N/A LEU 164.A N VAL 160.A O no hydrogen 2.837 N/A ALA 165.A N GLU 161.A O no hydrogen 2.874 N/A GLU 166.A N MET 162.A O no hydrogen 3.114 N/A ARG 167.A N ALA 163.A O no hydrogen 3.092 N/A ARG 167.A NE LEU 181.A O no hydrogen 3.154 N/A ARG 168.A N LEU 164.A O no hydrogen 3.090 N/A ARG 168.A NH2 GLU 213.A OE2 no hydrogen 2.790 N/A GLU 169.A N ALA 165.A O no hydrogen 3.027 N/A ALA 170.A N GLU 166.A O no hydrogen 3.025 N/A VAL 172.A N ARG 168.A O no hydrogen 3.194 N/A MET 173.A N GLU 169.A O no hydrogen 3.085 N/A LEU 181.A N ASP 190.A OD1 no hydrogen 3.171 N/A LYS 185.A N VAL 182.A O no hydrogen 3.399 N/A LYS 185.A NZ PRO 100.A O no hydrogen 3.018 N/A LYS 185.A NZ TRP 103.A O no hydrogen 3.006 N/A THR 187.A N ASP 190.A OD2 no hydrogen 2.915 N/A ILE 188.A N LEU 102.A O no hydrogen 3.068 N/A ALA 189.A N THR 187.A OG1 no hydrogen 3.143 N/A ASP 190.A N THR 187.A O no hydrogen 2.882 N/A LEU 191.A N THR 187.A O no hydrogen 3.135 N/A ALA 192.A N ILE 188.A O no hydrogen 2.866 N/A PHE 193.A N ASP 190.A O no hydrogen 3.048 N/A VAL 194.A N LEU 191.A O no hydrogen 3.235 N/A ASN 197.A N PHE 193.A O no hydrogen 2.924 N/A ASN 197.A ND2 TYR 157.A OH no hydrogen 2.492 N/A ASN 198.A N PRO 195.A O no hydrogen 3.179 N/A VAL 199.A N TRP 196.A O no hydrogen 3.024 N/A VAL 200.A N TRP 196.A O no hydrogen 3.288 N/A ARG 202.A N VAL 199.A O no hydrogen 3.037 N/A ILE 203.A N VAL 200.A O no hydrogen 3.212 N/A GLY 204.A N ASP 201.A O no hydrogen 2.642 N/A ILE 205.A N VAL 200.A O no hydrogen 3.163 N/A ASN 206.A N GLU 210.A OE2 no hydrogen 2.871 N/A ILE 209.A N ASN 206.A O no hydrogen 3.162 N/A GLU 210.A N ASN 206.A O no hydrogen 2.819 N/A PHE 211.A N ILE 207.A O no hydrogen 2.953 N/A GLU 213.A N GLU 161.A OE2 no hydrogen 2.779 N/A VAL 214.A N GLU 161.A OE1 no hydrogen 2.857 N/A TYR 215.A N PHE 211.A O no hydrogen 2.955 N/A LYS 216.A N PRO 212.A O no hydrogen 3.207 N/A LYS 216.A NZ PHE 175.A O no hydrogen 3.477 N/A LYS 216.A NZ GLU 213.A OE2 no hydrogen 3.087 N/A TRP 217.A N GLU 213.A O no hydrogen 3.025 N/A TRP 217.A NE1 ASP 190.A OD1 no hydrogen 3.085 N/A THR 218.A N VAL 214.A O no hydrogen 2.759 N/A THR 218.A OG1 ASN 197.A OD1 no hydrogen 2.885 N/A LYS 219.A N TYR 215.A O no hydrogen 2.811 N/A HIS 220.A N LYS 216.A O no hydrogen 2.991 N/A HIS 220.A NE2 ASP 176.A O no hydrogen 3.089 N/A MET 221.A N TRP 217.A O no hydrogen 3.135 N/A MET 222.A N THR 218.A O no hydrogen 2.915 N/A ARG 223.A NH2 HIS 220.A ND1 no hydrogen 3.110 N/A ARG 224.A N MET 221.A O no hydrogen 2.937 N/A ARG 224.A NH2 GLU 35.A OE1 no hydrogen 3.067 N/A ILE 228.A N ARG 224.A O no hydrogen 2.994 N/A LYS 229.A N PRO 225.A O no hydrogen 2.717 N/A LYS 229.A NZ SER 34.A OG no hydrogen 3.246 N/A ALA 230.A N ALA 226.A O no hydrogen 2.974 N/A LEU 231.A N VAL 227.A O no hydrogen 3.075 N/A ARG 232.A N ILE 228.A O no hydrogen 2.838 N/A ARG 232.A N LYS 229.A O no hydrogen 3.045 N/A GLY 233.A N LYS 229.A O no hydrogen 3.080 N/A GLU 234.A N LYS 229.A O no hydrogen 3.077 N/A