X5D7M0_HUMAN Loading...

Neuronal PAS domain-containing protein 3

May play a broad role in neurogenesis. May control regulatory pathways relevant to schizophrenia and to psychotic illness.

AlphaFold DB , UniProt , Accession X5D7M0, Species HUMAN (Homo sapiens, Human), Gene NPAS3, Length 900 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.5Very low51.2Low254 Ų254146.1 Ų146.1100%1.25179%0.79SS**  01410-70.9166.8168.300108.6
2A42.6Very low51.9Low87 Ų87140.6 Ų140.672%0.71977%0.768SS**  trans-118.8139.6170.700000108.7T4A2-T4 PolarHBondContact O-N 2.68Å
3P55.4Low53.4Low128 Ų128134.8 Ų134.883%0.83174%0.744SS**PPolyproline II helixtrans-68.2120.8-179.427.1-33.2000110.2K5P3-K5 PolarHBondContact O-N 2.61Å
4T52.9Low55Low137 Ų137137.7 Ų137.784%0.8474%0.738SS**PPolyproline II helixtrans-63124.7173.335.20000109.6A2A2-T4 PolarHBondContact O-N 2.68Å
5K53.1Low56.3Low198 Ų198137.2 Ų137.286%0.86172%0.721SS**PPolyproline II helixtrans-63.4130.3171.7-71.7176.8179.11710108.4P3 S7P3-K5 PolarHBondContact O-N 2.61Å; K5-S7 PolarHBondContact O-N 3.49Å
6P49.7Very low57.7Low115 Ų115135.8 Ų135.875%0.74771%0.71SS**PPolyproline II helixtrans-60.3125172.125.4-33000108.7F8P6-F8 PolarHBondContact O-N 3.31Å
7S49.1Very low59.1Low99 Ų99139.1 Ų139.169%0.69271%0.711SS**PPolyproline II helixtrans-65.6120.3174.647.90000109K5 Q9K5-S7 PolarHBondContact O-N 3.49Å; S7-Q9 PolarHBondContact O-N 3.4Å
8F52.3Low60.5Low200 Ų200135.8 Ų135.888%0.87769%0.694SS**  trans-66.579.6166.1-91-90.9000109.6P6 Q10P6-F8 PolarHBondContact O-N 3.31Å; F8-Q10 PolarHBondContact O-N 2.93Å; F8-Q10 VanDerWaalsContact O-N 3.1Å
9Q51.2Low61.7Low173 Ų173133.6 Ų133.681%0.80868%0.681SS**  trans-56.7112.5152.3-80179.2-29.500106.2S7 D11S7-Q9 PolarHBondContact O-N 3.4Å; Q9-D11 VanDerWaalsContact C-N 3.29Å; Q9-D11 PolarHBondContact O-N 3.39Å
10Q57Low62.9Low133 Ų133129.6 Ų129.662%0.62167%0.669SS**  trans-7295.7168.3-77.5-172.5-1000107.1F8 P12F8-Q10 PolarHBondContact O-N 2.93Å; F8-Q10 VanDerWaalsContact O-N 3.1Å; Q10-P12 VanDerWaalsContact O-N 3.11Å
11D59Low64.1Low83 Ų83127 Ų12744%0.44466%0.656SS.*  trans-35113.9169.5175.7-4000110.4Q9 S13 R14 R15Q9-D11 VanDerWaalsContact C-N 3.29Å; Q9-D11 PolarHBondContact O-N 3.39Å; D11-S13 VanDerWaalsContact CG-OG 3.22Å; D11-S13 PolarHBondContact O-N 3.25Å; D11-S13 WeakPolarHBondContact OD1-CB 3.23Å; D11-S13 PolarHBondContact OD1-N 3.34Å; D11-S13 PolarHBondContact OD1-OG 2.86Å; D11-S13 PolarHBondContact OD2-OG 3.1Å; D11-R14 HydrophobicContact CB-CB 4.15Å; D11-R14 WeakPolarHBondContact O-CB 3.41Å; D11-R14 PolarHBondContact O-N 3.18Å; D11-R14 VanDerWaalsContact O-N 3.13Å; D11-R15 PolarHBondContact O-N 2.96Å
12P60.6Low66.5Low80 Ų80122.7 Ų122.752%0.51963%0.626SS.*Hα-helixtrans-61.8-36-174.923.6-31.9000111.1Q10 R14 R15 E16Q10-P12 VanDerWaalsContact O-N 3.11Å; P12-R14 VanDerWaalsContact C-N 3.26Å; P12-R14 PolarHBondContact O-N 3.25Å; P12-R15 CarbonylContact O-C 3.52Å; P12-R15 WeakPolarHBondContact O-CA 3.44Å; P12-R15 WeakPolarHBondContact O-CB 3.45Å; P12-R15 PolarHBondContact O-N 3.44Å; P12-E16 WeakPolarHBondContact O-CB 3.12Å; P12-E16 WeakPolarHBondContact O-CG 3.46Å; P12-E16 PolarHBondContact O-N 3.38Å
13S70.6Confident68.8Low65 Ų65125.9 Ų125.946%0.45562%0.623SS.*Hα-helixtrans-60-37.2177.578.80000111.8D11 E16 R17D11-S13 VanDerWaalsContact CG-OG 3.22Å; D11-S13 PolarHBondContact O-N 3.25Å; D11-S13 WeakPolarHBondContact OD1-CB 3.23Å; D11-S13 PolarHBondContact OD1-N 3.34Å; D11-S13 PolarHBondContact OD1-OG 2.86Å; D11-S13 PolarHBondContact OD2-OG 3.1Å; S13-E16 PolarHBondContact O-N 2.84Å; S13-R17 VanDerWaalsContact O-CB 3.24Å; S13-R17 WeakPolarHBondContact O-CB 3.18Å; S13-R17 PolarHBondContact O-N 3.04Å
14R75.5Confident70.5Confident176 Ų176123.6 Ų123.666%0.66460%0.601SS**Hα-helixtrans-69.9-36.2174.9-172.8177.5179.2-177.82.3111.9D11 P12 L18D11-R14 HydrophobicContact CB-CB 4.15Å; D11-R14 WeakPolarHBondContact O-CB 3.41Å; D11-R14 PolarHBondContact O-N 3.18Å; D11-R14 VanDerWaalsContact O-N 3.13Å; P12-R14 VanDerWaalsContact C-N 3.26Å; P12-R14 PolarHBondContact O-N 3.25Å; R14-L18 HydrophobicContact CG-CD1 4.33Å; R14-L18 WeakPolarHBondContact O-CB 3.4Å; R14-L18 WeakPolarHBondContact O-CD1 3.49Å; R14-L18 VanDerWaalsContact O-CG 3.23Å; R14-L18 WeakPolarHBondContact O-CG 3.4Å; R14-L18 PolarHBondContact O-N 3.41Å; R14-L18 VanDerWaalsContact O-N 3.11Å
15R75Confident72.5Confident130 Ų130124.6 Ų124.649%0.49159%0.594SS.*Hα-helixtrans-66.7-44.8174.7-175.5-175.6-69.2163.10.5110.7D11 P12 L18 Q19D11-R15 PolarHBondContact O-N 2.96Å; P12-R15 CarbonylContact O-C 3.52Å; P12-R15 WeakPolarHBondContact O-CA 3.44Å; P12-R15 WeakPolarHBondContact O-CB 3.45Å; P12-R15 PolarHBondContact O-N 3.44Å; R15-L18 CarbonylContact O-C 3.58Å; R15-L18 PolarHBondContact O-N 3.13Å; R15-Q19 WeakPolarHBondContact O-CG 3.41Å; R15-Q19 PolarHBondContact O-N 3.35Å
16E78.3Confident74.4Confident115 Ų115119.1 Ų119.154%0.53758%0.581SS.*Hα-helixtrans-64.8-47178-74156.1-161.100111.6P12 S13 L18 Q19 A20P12-E16 WeakPolarHBondContact O-CB 3.12Å; P12-E16 WeakPolarHBondContact O-CG 3.46Å; P12-E16 PolarHBondContact O-N 3.38Å; S13-E16 PolarHBondContact O-N 2.84Å; E16-L18 VanDerWaalsContact C-N 3.26Å; E16-L18 PolarHBondContact O-N 3.25Å; E16-Q19 CarbonylContact O-C 3.44Å; E16-Q19 WeakPolarHBondContact O-CA 3.21Å; E16-Q19 WeakPolarHBondContact O-CB 3.39Å; E16-Q19 PolarHBondContact O-N 3.17Å; E16-A20 PolarHBondContact O-N 3.15Å
17R81.9Confident76.6Confident191 Ų191119.5 Ų119.572%0.72157%0.567SS**Hα-helixtrans-58.3-38.1173.8-166.6174.2-173.2-177.52.9112S13 L21S13-R17 VanDerWaalsContact O-CB 3.24Å; S13-R17 WeakPolarHBondContact O-CB 3.18Å; S13-R17 PolarHBondContact O-N 3.04Å; R17-L21 HydrophobicContact CG-CD1 4.49Å; R17-L21 WeakPolarHBondContact O-CB 3.4Å; R17-L21 VanDerWaalsContact O-CG 3.29Å; R17-L21 WeakPolarHBondContact O-CG 3.35Å; R17-L21 PolarHBondContact O-N 3.49Å
18L84.1Confident78.8Confident80 Ų80117.6 Ų117.642%0.41955%0.549SS..Hα-helixtrans-72.8-22.5172.5-72.5170.7000113.6R14 R15 E16 R22R14-L18 HydrophobicContact CG-CD1 4.33Å; R14-L18 WeakPolarHBondContact O-CB 3.4Å; R14-L18 WeakPolarHBondContact O-CD1 3.49Å; R14-L18 VanDerWaalsContact O-CG 3.23Å; R14-L18 WeakPolarHBondContact O-CG 3.4Å; R14-L18 PolarHBondContact O-N 3.41Å; R14-L18 VanDerWaalsContact O-N 3.11Å; R15-L18 CarbonylContact O-C 3.58Å; R15-L18 PolarHBondContact O-N 3.13Å; E16-L18 VanDerWaalsContact C-N 3.26Å; E16-L18 PolarHBondContact O-N 3.25Å; L18-R22 VanDerWaalsContact C-NH1 3.29Å; L18-R22 VanDerWaalsContact O-CG 3.3Å; L18-R22 WeakPolarHBondContact O-CG 3.42Å; L18-R22 PolarHBondContact O-N 3.05Å; L18-R22 PolarHBondContact O-NH1 3.42Å
19Q83.9Confident80.9Confident95 Ų95111 Ų11144%0.44453%0.531SS..Hα-helixtrans-79.1-41.8170.3-73.9179.12.600111.1R15 E16 R22 K23R15-Q19 WeakPolarHBondContact O-CG 3.41Å; R15-Q19 PolarHBondContact O-N 3.35Å; E16-Q19 CarbonylContact O-C 3.44Å; E16-Q19 WeakPolarHBondContact O-CA 3.21Å; E16-Q19 WeakPolarHBondContact O-CB 3.39Å; E16-Q19 PolarHBondContact O-N 3.17Å; Q19-R22 PolarHBondContact O-N 2.8Å; Q19-R22 VanDerWaalsContact O-N 3.15Å; Q19-K23 WeakPolarHBondContact O-CG 3.46Å; Q19-K23 PolarHBondContact O-N 2.91Å
20A86.1Confident83.1Confident53 Ų53103.4 Ų103.444%0.43850%0.499SS..Hα-helixtrans-55.9-52.417300000110.8E16 R22 K23 E24E16-A20 PolarHBondContact O-N 3.15Å; A20-R22 PolarHBondContact O-N 3.31Å; A20-R22 VanDerWaalsContact O-N 3.17Å; A20-K23 PolarHBondContact O-N 2.94Å; A20-E24 VanDerWaalsContact O-CB 3.24Å; A20-E24 WeakPolarHBondContact O-CB 3.48Å; A20-E24 PolarHBondContact O-N 2.71Å
21L88.3Confident84.9Confident76 Ų76104.8 Ų104.840%0.39850%0.498SS..Hα-helixtrans-60.3-26.8176.8-72.3167.8000114.1R17 K25R17-L21 HydrophobicContact CG-CD1 4.49Å; R17-L21 WeakPolarHBondContact O-CB 3.4Å; R17-L21 VanDerWaalsContact O-CG 3.29Å; R17-L21 WeakPolarHBondContact O-CG 3.35Å; R17-L21 PolarHBondContact O-N 3.49Å; L21-K25 WeakPolarHBondContact O-CB 3.43Å; L21-K25 WeakPolarHBondContact O-CG 3.17Å; L21-K25 PolarHBondContact O-N 3.37Å
22R89.3Confident86.8Confident163 Ų163104.1 Ų104.162%0.61550%0.5SS*.Hα-helixtrans-77.1-44.3172.1-73.8177.5-168.3105.6-13.4111.8L18 Q19 A20 E24 S26L18-R22 VanDerWaalsContact C-NH1 3.29Å; L18-R22 VanDerWaalsContact O-CG 3.3Å; L18-R22 WeakPolarHBondContact O-CG 3.42Å; L18-R22 PolarHBondContact O-N 3.05Å; L18-R22 PolarHBondContact O-NH1 3.42Å; Q19-R22 PolarHBondContact O-N 2.8Å; Q19-R22 VanDerWaalsContact O-N 3.15Å; A20-R22 PolarHBondContact O-N 3.31Å; A20-R22 VanDerWaalsContact O-N 3.17Å; R22-E24 VanDerWaalsContact C-N 3.3Å; R22-E24 PolarHBondContact O-N 2.97Å; R22-S26 VanDerWaalsContact O-CB 3.32Å; R22-S26 WeakPolarHBondContact O-CB 3.23Å; R22-S26 PolarHBondContact O-N 2.86Å
23K91.4Very high88.5Confident154 Ų154107.6 Ų107.667%0.6750%0.503SS*.Hα-helixtrans-61.2-40.6175.5-72.7180176.9-177.20111Q19 A20 S26 R27Q19-K23 WeakPolarHBondContact O-CG 3.46Å; Q19-K23 PolarHBondContact O-N 2.91Å; A20-K23 PolarHBondContact O-N 2.94Å; K23-S26 PolarHBondContact O-N 3.26Å; K23-R27 VanDerWaalsContact O-CB 3.27Å; K23-R27 WeakPolarHBondContact O-CB 3.36Å; K23-R27 PolarHBondContact O-N 3.29Å
24E91.9Very high89.8Confident79 Ų79111.5 Ų111.537%0.36951%0.508SS..Hα-helixtrans-61.4-57.5175.2179.3142.2-98.200112.2A20 R22 S26 R27 D28A20-E24 VanDerWaalsContact O-CB 3.24Å; A20-E24 WeakPolarHBondContact O-CB 3.48Å; A20-E24 PolarHBondContact O-N 2.71Å; R22-E24 VanDerWaalsContact C-N 3.3Å; R22-E24 PolarHBondContact O-N 2.97Å; E24-S26 PolarHBondContact O-N 3.34Å; E24-R27 WeakPolarHBondContact O-CB 3.38Å; E24-R27 PolarHBondContact O-N 2.7Å; E24-R27 IonicContact OE1-CZ 3.95Å; E24-R27 IonicContact OE1-NH1 3.57Å; E24-R27 IonicContact OE1-NH2 2.68Å; E24-R27 PolarHBondContact OE1-NH2 3.34Å; E24-D28 VanDerWaalsContact O-CG 3.29Å; E24-D28 PolarHBondContact O-N 3Å
25K93.6Very high90.9Very high159 Ų159105.1 Ų105.169%0.69150%0.497SS*.Hα-helixtrans-56.5-36.6175.2-73.4-175.9177.9-164.20112.8L21 A29L21-K25 WeakPolarHBondContact O-CB 3.43Å; L21-K25 WeakPolarHBondContact O-CG 3.17Å; L21-K25 PolarHBondContact O-N 3.37Å; K25-A29 WeakPolarHBondContact O-CB 3.25Å; K25-A29 PolarHBondContact O-N 2.72Å
26S94.8Very high92Very high82 Ų82105.8 Ų105.857%0.57350%0.503SS*.Hα-helixtrans-68.2-45.3174.8-171.30000112.5R22 K23 E24 D28 A30R22-S26 VanDerWaalsContact O-CB 3.32Å; R22-S26 WeakPolarHBondContact O-CB 3.23Å; R22-S26 PolarHBondContact O-N 2.86Å; K23-S26 PolarHBondContact O-N 3.26Å; E24-S26 PolarHBondContact O-N 3.34Å; S26-D28 VanDerWaalsContact C-N 3.35Å; S26-D28 PolarHBondContact O-N 3.39Å; S26-A30 WeakPolarHBondContact O-CB 3.2Å; S26-A30 PolarHBondContact O-N 3.04Å
27R94.8Very high92.9Very high124 Ų124103.9 Ų103.947%0.46849%0.494SS..Hα-helixtrans-58.3-46.3175.9178.4-169.369.3-153.6-8.5111.1K23 E24 A30 R31K23-R27 VanDerWaalsContact O-CB 3.27Å; K23-R27 WeakPolarHBondContact O-CB 3.36Å; K23-R27 PolarHBondContact O-N 3.29Å; E24-R27 WeakPolarHBondContact O-CB 3.38Å; E24-R27 PolarHBondContact O-N 2.7Å; E24-R27 IonicContact OE1-CZ 3.95Å; E24-R27 IonicContact OE1-NH1 3.57Å; E24-R27 IonicContact OE1-NH2 2.68Å; E24-R27 PolarHBondContact OE1-NH2 3.34Å; R27-A30 PolarHBondContact O-N 2.99Å; R27-R31 WeakPolarHBondContact O-CB 3.24Å; R27-R31 PolarHBondContact O-N 3.31Å
28D95.6Very high93.6Very high58 Ų5898.8 Ų98.831%0.3148%0.481SS..Hα-helixtrans-80.2-34-172.3-58.1-24.9000111.1E24 S26 R31 S32E24-D28 VanDerWaalsContact O-CG 3.29Å; E24-D28 PolarHBondContact O-N 3Å; S26-D28 VanDerWaalsContact C-N 3.35Å; S26-D28 PolarHBondContact O-N 3.39Å; D28-R31 PolarHBondContact O-N 3.47Å; D28-R31 IonicContact OD1-NH1 3.48Å; D28-S32 WeakPolarHBondContact O-CB 3.49Å; D28-S32 PolarHBondContact O-N 2.79Å
29A96.3Very high94.3Very high61 Ų61100.3 Ų100.350%0.50449%0.485SS..Hα-helixtrans-64.6-39166.400000112.5K25 S32 R33K25-A29 WeakPolarHBondContact O-CB 3.25Å; K25-A29 PolarHBondContact O-N 2.72Å; A29-S32 PolarHBondContact O-N 2.81Å; A29-R33 WeakPolarHBondContact O-CB 3.15Å; A29-R33 PolarHBondContact O-N 3.32Å
30A96.3Very high94.9Very high15 Ų15101.5 Ų101.512%0.12449%0.49CS..Hα-helixtrans-68.8-37.4174.800000112.4S26 R27 R34S26-A30 WeakPolarHBondContact O-CB 3.2Å; S26-A30 PolarHBondContact O-N 3.04Å; R27-A30 PolarHBondContact O-N 2.99Å; A30-R34 WeakPolarHBondContact O-CB 3.35Å; A30-R34 VanDerWaalsContact O-CG 3.32Å; A30-R34 WeakPolarHBondContact O-CG 3.44Å; A30-R34 PolarHBondContact O-N 3.15Å
31R96.5Very high95.5Very high161 Ų161100.9 Ų100.961%0.60848%0.478SS*.Hα-helixtrans-64.6-45.5172.3-177.4-175-80.1152.7-13.1111R27 D28 R34 G35R27-R31 WeakPolarHBondContact O-CB 3.24Å; R27-R31 PolarHBondContact O-N 3.31Å; D28-R31 PolarHBondContact O-N 3.47Å; D28-R31 IonicContact OD1-NH1 3.48Å; R31-R34 PolarHBondContact O-N 3.39Å; R31-G35 PolarHBondContact O-N 3.25Å
32S97.5Very high95.9Very high69 Ų69103.1 Ų103.148%0.48348%0.482SS..Hα-helixtrans-60.9-44.2175.5-177.20000111.8D28 A29 G35 K36D28-S32 WeakPolarHBondContact O-CB 3.49Å; D28-S32 PolarHBondContact O-N 2.79Å; A29-S32 PolarHBondContact O-N 2.81Å; S32-G35 PolarHBondContact O-N 3.29Å; S32-K36 PolarHBondContact O-N 3.46Å
33R97.8Very high96.3Very high153 Ų15398.1 Ų98.158%0.57747%0.466SS*.Hα-helixtrans-59.3-50.1174.6-173.1177.769-111.85.9111.8A29 G35 K36 E37A29-R33 WeakPolarHBondContact O-CB 3.15Å; A29-R33 PolarHBondContact O-N 3.32Å; R33-G35 VanDerWaalsContact C-N 3.28Å; R33-G35 PolarHBondContact O-N 3.05Å; R33-K36 PolarHBondContact O-N 3.43Å; R33-E37 VanDerWaalsContact O-CB 3.22Å; R33-E37 WeakPolarHBondContact O-CB 3.41Å; R33-E37 PolarHBondContact O-N 3.36Å
34R97.7Very high96.6Very high148 Ų14893.2 Ų93.256%0.55845%0.446SS*.Hα-helixtrans-61-35.1176.2-72.7172.3-174.7147.1-3112.8A30 R31 N38A30-R34 WeakPolarHBondContact O-CB 3.35Å; A30-R34 VanDerWaalsContact O-CG 3.32Å; A30-R34 WeakPolarHBondContact O-CG 3.44Å; A30-R34 PolarHBondContact O-N 3.15Å; R31-R34 PolarHBondContact O-N 3.39Å; R34-N38 VanDerWaalsContact O-CB 3.27Å; R34-N38 WeakPolarHBondContact O-CB 3.44Å; R34-N38 PolarHBondContact O-N 2.72Å; R34-N38 PolarHBondContact O-OD1 2.94Å
35G97.6Very high96.9Very high42 Ų4289.6 Ų89.643%0.43343%0.43SS..Hα-helixtrans-63.8-47.2175.700000112.2R31 S32 R33 F39R31-G35 PolarHBondContact O-N 3.25Å; S32-G35 PolarHBondContact O-N 3.29Å; R33-G35 VanDerWaalsContact C-N 3.28Å; R33-G35 PolarHBondContact O-N 3.05Å; G35-F39 PolarHBondContact O-N 2.78Å; G35-F39 VanDerWaalsContact O-N 3.12Å
36K97.9Very high97Very high144 Ų14486.9 Ų86.963%0.62642%0.418SS*.Hα-helixtrans-64.1-49.2173.5-67.4-169.9176.2-162.70111.8S32 R33 N38 F39 E40S32-K36 PolarHBondContact O-N 3.46Å; R33-K36 PolarHBondContact O-N 3.43Å; K36-N38 VanDerWaalsContact C-N 3.34Å; K36-N38 PolarHBondContact O-N 2.83Å; K36-F39 WeakPolarHBondContact O-CA 3.48Å; K36-F39 WeakPolarHBondContact O-CB 3.49Å; K36-F39 PolarHBondContact O-N 3Å; K36-E40 WeakPolarHBondContact O-CG 3.35Å; K36-E40 PolarHBondContact O-N 3.45Å
37E97.3Very high97.1Very high74 Ų7489.6 Ų89.635%0.34643%0.425SS..Hα-helixtrans-50.9-50.5175.6-175.8-156.8129.900111.6R33 F39 E40 F41 K60R33-E37 VanDerWaalsContact O-CB 3.22Å; R33-E37 WeakPolarHBondContact O-CB 3.41Å; R33-E37 PolarHBondContact O-N 3.36Å; E37-F39 VanDerWaalsContact C-N 3.3Å; E37-F39 PolarHBondContact O-N 3.03Å; E37-E40 PolarHBondContact O-N 2.81Å; E37-F41 HydrophobicContact CG-CD2 4.03Å; E37-F41 HydrophobicContact CG-CE2 3.87Å; E37-F41 WeakPolarHBondContact O-CD2 3.49Å; E37-F41 PolarHBondContact O-N 3.41Å; E37-K60 IonicContact OE1-NZ 3.64Å; E37-K60 PolarHBondContact OE1-NZ 2.83Å
38N97.2Very high97.3Very high85 Ų8584.2 Ų84.246%0.45541%0.406SS..Hα-helixtrans-60.9-35.7176.1-73.35.5000113.1R34 K36 Y42 K60R34-N38 VanDerWaalsContact O-CB 3.27Å; R34-N38 WeakPolarHBondContact O-CB 3.44Å; R34-N38 PolarHBondContact O-N 2.72Å; R34-N38 PolarHBondContact O-OD1 2.94Å; K36-N38 VanDerWaalsContact C-N 3.34Å; K36-N38 PolarHBondContact O-N 2.83Å; N38-Y42 WeakPolarHBondContact O-CB 3.49Å; N38-Y42 PolarHBondContact O-N 2.79Å; N38-Y42 VanDerWaalsContact O-N 3.07Å; N38-K60 VanDerWaalsContact OD1-CE 3.32Å; N38-K60 WeakPolarHBondContact OD1-CE 3.31Å; N38-K60 PolarHBondContact OD1-NZ 3.49Å
39F97.6Very high97.3Very high112 Ų11285.7 Ų85.749%0.49142%0.419SS..Hα-helixtrans-67.4-48175.6175.1-96.7000111.4G35 K36 E37 F41 Y42 E43G35-F39 PolarHBondContact O-N 2.78Å; G35-F39 VanDerWaalsContact O-N 3.12Å; K36-F39 WeakPolarHBondContact O-CA 3.48Å; K36-F39 WeakPolarHBondContact O-CB 3.49Å; K36-F39 PolarHBondContact O-N 3Å; E37-F39 VanDerWaalsContact C-N 3.3Å; E37-F39 PolarHBondContact O-N 3.03Å; F39-F41 VanDerWaalsContact C-N 3.28Å; F39-F41 PolarHBondContact O-N 2.74Å; F39-Y42 PolarHBondContact O-N 3.43Å; F39-E43 HydrophobicContact CD1-CG 4.28Å; F39-E43 HydrophobicContact CD2-CG 4.41Å; F39-E43 HydrophobicContact CE1-CG 3.77Å; F39-E43 HydrophobicContact CE2-CG 3.91Å; F39-E43 WeakPolarHBondContact CE2-OE1 3.32Å; F39-E43 HydrophobicContact CZ-CG 3.56Å; F39-E43 PolarHBondContact O-N 3.05Å
40E98.1Very high97.2Very high120 Ų12084.6 Ų84.656%0.56140%0.404SS*.Hα-helixtrans-59.6-39175.6-54-50.9144.100111.6K36 E37 Y42 L44K36-E40 WeakPolarHBondContact O-CG 3.35Å; K36-E40 PolarHBondContact O-N 3.45Å; E37-E40 PolarHBondContact O-N 2.81Å; E40-Y42 VanDerWaalsContact C-N 3.34Å; E40-Y42 PolarHBondContact O-N 2.63Å; E40-L44 WeakPolarHBondContact O-CB 3.48Å; E40-L44 PolarHBondContact O-N 3.16Å
41F98Very high97.2Very high40 Ų4087.9 Ų87.918%0.17542%0.424CS..Hα-helixtrans-60.1-41.5172.6-90.5-71.7000112.6E37 F39 A45 K60 I63 I64E37-F41 HydrophobicContact CG-CD2 4.03Å; E37-F41 HydrophobicContact CG-CE2 3.87Å; E37-F41 WeakPolarHBondContact O-CD2 3.49Å; E37-F41 PolarHBondContact O-N 3.41Å; F39-F41 VanDerWaalsContact C-N 3.28Å; F39-F41 PolarHBondContact O-N 2.74Å; F41-A45 WeakPolarHBondContact O-CB 3.48Å; F41-A45 PolarHBondContact O-N 2.68Å; F41-K60 HydrophobicContact CD1-CB 4.09Å; F41-K60 HydrophobicContact CD1-CD 4.4Å; F41-K60 HydrophobicContact CD1-CG 3.83Å; F41-K60 HydrophobicContact CD2-CD 3.77Å; F41-K60 HydrophobicContact CD2-CG 4.05Å; F41-K60 HydrophobicContact CE1-CB 3.68Å; F41-K60 HydrophobicContact CE1-CD 4.22Å; F41-K60 HydrophobicContact CE1-CG 3.84Å; F41-K60 WeakPolarHBondContact CE1-O 3.49Å; F41-K60 HydrophobicContact CE2-CD 3.6Å; F41-K60 HydrophobicContact CE2-CG 4.09Å; F41-K60 HydrophobicContact CG-CD 4.2Å; F41-K60 HydrophobicContact CG-CG 3.94Å; F41-K60 HydrophobicContact CZ-CB 3.95Å; F41-K60 HydrophobicContact CZ-CD 3.85Å; F41-K60 HydrophobicContact CZ-CG 3.99Å; F41-I63 HydrophobicContact CD1-CB 4.38Å; F41-I63 HydrophobicContact CD1-CD1 4.27Å; F41-I63 HydrophobicContact CD1-CG2 4.22Å; F41-I64 HydrophobicContact CE1-CD1 3.82Å; F41-I64 HydrophobicContact CE1-CG1 3.77Å; F41-I64 HydrophobicContact CZ-CD1 4.42Å; F41-I64 HydrophobicContact CZ-CG1 4.37Å
42Y96Very high97.1Very high123 Ų12383.8 Ų83.848%0.48242%0.424SS..Hα-helixtrans-72.4-41.6-179-174.1-116.2000112.3N38 F39 E40 A45 K46N38-Y42 WeakPolarHBondContact O-CB 3.49Å; N38-Y42 PolarHBondContact O-N 2.79Å; N38-Y42 VanDerWaalsContact O-N 3.07Å; F39-Y42 PolarHBondContact O-N 3.43Å; E40-Y42 VanDerWaalsContact C-N 3.34Å; E40-Y42 PolarHBondContact O-N 2.63Å; Y42-A45 PolarHBondContact O-N 3.44Å; Y42-K46 WeakPolarHBondContact O-CG 3.42Å; Y42-K46 PolarHBondContact O-N 3.05Å
43E97.7Very high96.9Very high58 Ų5883.7 Ų83.727%0.27143%0.428SS..Hα-helixtrans-65.6-40172.8-60.7-48.6123.700111.4F39 A45 K46 L47F39-E43 HydrophobicContact CD1-CG 4.28Å; F39-E43 HydrophobicContact CD2-CG 4.41Å; F39-E43 HydrophobicContact CE1-CG 3.77Å; F39-E43 HydrophobicContact CE2-CG 3.91Å; F39-E43 WeakPolarHBondContact CE2-OE1 3.32Å; F39-E43 HydrophobicContact CZ-CG 3.56Å; F39-E43 PolarHBondContact O-N 3.05Å; E43-A45 VanDerWaalsContact C-N 3.33Å; E43-A45 PolarHBondContact O-N 2.84Å; E43-K46 PolarHBondContact O-N 2.78Å; E43-K46 WeakPolarHBondContact OE1-CE 3.49Å; E43-K46 IonicContact OE1-NZ 3.59Å; E43-K46 PolarHBondContact OE1-NZ 3.25Å; E43-K46 IonicContact OE2-NZ 2.74Å; E43-K46 PolarHBondContact OE2-NZ 3.33Å; E43-L47 WeakPolarHBondContact O-CG 3.49Å; E43-L47 PolarHBondContact O-N 3.25Å
44L97.9Very high96.8Very high51 Ų5180 Ų8027%0.26742%0.419SS..Hα-helixtrans-62-39.1174.5-177.959.4000112.2E40 K46 L47 I63 I64 T67E40-L44 WeakPolarHBondContact O-CB 3.48Å; E40-L44 PolarHBondContact O-N 3.16Å; L44-K46 PolarHBondContact O-N 3.22Å; L44-L47 PolarHBondContact O-N 3.48Å; L44-I63 HydrophobicContact CB-CG2 4.28Å; L44-I63 HydrophobicContact CD2-CG2 3.9Å; L44-I63 HydrophobicContact CG-CG2 3.9Å; L44-I64 HydrophobicContact CD2-CD1 4.07Å; L44-T67 HydrophobicContact CD1-CG2 4.01Å; L44-T67 HydrophobicContact CD2-CG2 4.49Å
45A97.8Very high96.7Very high2 Ų273.4 Ų73.42%0.01740%0.395CS..Hα-helixtrans-61.8-41.1175.700000112.3F41 Y42 E43 L47 L48 T55 I63F41-A45 WeakPolarHBondContact O-CB 3.48Å; F41-A45 PolarHBondContact O-N 2.68Å; Y42-A45 PolarHBondContact O-N 3.44Å; E43-A45 VanDerWaalsContact C-N 3.33Å; E43-A45 PolarHBondContact O-N 2.84Å; A45-L47 PolarHBondContact O-N 3.02Å; A45-L48 WeakPolarHBondContact O-CB 3.33Å; A45-L48 PolarHBondContact O-N 3.32Å; A45-T55 VanDerWaalsContact O-CB 3.27Å; A45-T55 WeakPolarHBondContact O-CB 3.48Å; A45-T55 VanDerWaalsContact O-CG2 3.3Å; A45-T55 WeakPolarHBondContact O-CG2 3.45Å; A45-I63 HydrophobicContact CB-CD1 3.88Å; A45-I63 HydrophobicContact CB-CG1 4Å; A45-I63 HydrophobicContact CB-CG2 4.5Å
46K97.1Very high96.5Very high102 Ų10274.6 Ų74.644%0.44340%0.397SS..Hα-helixtrans-63.1-25.5175.3-65.1175.8-162166.40113.8Y42 E43 L44 L48Y42-K46 WeakPolarHBondContact O-CG 3.42Å; Y42-K46 PolarHBondContact O-N 3.05Å; E43-K46 PolarHBondContact O-N 2.78Å; E43-K46 WeakPolarHBondContact OE1-CE 3.49Å; E43-K46 IonicContact OE1-NZ 3.59Å; E43-K46 PolarHBondContact OE1-NZ 3.25Å; E43-K46 IonicContact OE2-NZ 2.74Å; E43-K46 PolarHBondContact OE2-NZ 3.33Å; L44-K46 PolarHBondContact O-N 3.22Å; K46-L48 VanDerWaalsContact C-N 3.34Å
47L97.3Very high96.4Very high139 Ų13975.5 Ų75.573%0.72840%0.403SS*.THydrogen-bonded Turntrans-86-4.1-179.4-65.5171.8000113.3E43 L44 A45E43-L47 WeakPolarHBondContact O-CG 3.49Å; E43-L47 PolarHBondContact O-N 3.25Å; L44-L47 PolarHBondContact O-N 3.48Å; A45-L47 PolarHBondContact O-N 3.02Å
48L97.2Very high96.3Very high12 Ų1273.3 Ų73.36%0.06339%0.394CS..SBendtrans-71.4145.4172-65.8173.4000110.7A45 K46 L50 T55 L58 L66A45-L48 WeakPolarHBondContact O-CB 3.33Å; A45-L48 PolarHBondContact O-N 3.32Å; K46-L48 VanDerWaalsContact C-N 3.34Å; L48-L50 PolarHBondContact O-N 2.69Å; L48-T55 HydrophobicContact CB-CG2 4.13Å; L48-L58 HydrophobicContact CD1-CD1 3.57Å; L48-L66 HydrophobicContact CD1-CB 4Å; L48-L66 HydrophobicContact CD1-CD1 3.95Å; L48-L66 HydrophobicContact CD2-CB 3.93Å
49P95.5Very high96.3Very high89 Ų8973.3 Ų73.358%0.57839%0.394SS*.SBendtrans-78.556.5-179.936.1-39.4000111.7Y70P49-Y70 HydrophobicContact CB-CE2 4.45Å; P49-Y70 HydrophobicContact CG-CD2 3.7Å; P49-Y70 HydrophobicContact CG-CE2 3.84Å; P49-Y70 HydrophobicContact CG-CG 4.4Å
50L95.2Very high96.3Very high37 Ų3771.7 Ų71.719%0.19439%0.387CS..SBendtrans-137.5150.7-176.4-68.9174.6000110.2L48 T55 L66 V157L48-L50 PolarHBondContact O-N 2.69Å; L50-T55 HydrophobicContact CB-CG2 3.6Å; L50-L66 HydrophobicContact CD1-CD1 3.93Å; L50-V157 HydrophobicContact CD1-CG2 4.08Å
51P95.6Very high96.3Very high84 Ų8469.1 Ų69.155%0.54539%0.386SS..  trans-53.4139.7175.3-27.934.6000113.6A53 I54 T55P51-A53 PolarHBondContact O-N 2.86Å; P51-A53 VanDerWaalsContact O-N 3.1Å; P51-I54 HydrophobicContact CG-CD1 4.4Å; P51-I54 WeakPolarHBondContact O-CA 3.34Å; P51-I54 WeakPolarHBondContact O-CB 3.49Å; P51-I54 PolarHBondContact O-N 3.25Å; P51-T55 PolarHBondContact O-N 3.09Å; P51-T55 VanDerWaalsContact O-N 3.09Å
52A94.2Very high96.3Very high75 Ų7567.8 Ų67.862%0.6238%0.382SS*.Hα-helixtrans-57.8-28.8-177.900000114I54 T55 S56A52-I54 PolarHBondContact O-N 2.68Å; A52-T55 WeakPolarHBondContact CA-OG1 3.48Å; A52-S56 VanDerWaalsContact O-CB 3.32Å; A52-S56 WeakPolarHBondContact O-CB 3.46Å; A52-S56 PolarHBondContact O-N 3.37Å; A52-S56 VanDerWaalsContact O-N 3.16Å; A52-S56 PolarHBondContact O-OG 3.35Å
53A95.2Very high96.4Very high68 Ų6862.3 Ų62.356%0.56236%0.361SS*.Hα-helixtrans-64.5-25.9174.300000113.3P51 Q57P51-A53 PolarHBondContact O-N 2.86Å; P51-A53 VanDerWaalsContact O-N 3.1Å; A53-Q57 PolarHBondContact O-NE2 3.2Å
54I95.1Very high96.4Very high74 Ų7462.9 Ų62.938%0.37937%0.365SS..Hα-helixtrans-89.7-50.3175.3-61.8176.5000109.8P51 A52 S56 Q57 L58 V157P51-I54 HydrophobicContact CG-CD1 4.4Å; P51-I54 WeakPolarHBondContact O-CA 3.34Å; P51-I54 WeakPolarHBondContact O-CB 3.49Å; P51-I54 PolarHBondContact O-N 3.25Å; A52-I54 PolarHBondContact O-N 2.68Å; I54-S56 VanDerWaalsContact C-N 3.26Å; I54-S56 PolarHBondContact O-N 3.49Å; I54-Q57 PolarHBondContact O-N 3.3Å; I54-L58 HydrophobicContact CG2-CD2 4.38Å; I54-V157 HydrophobicContact CG2-CG2 3.91Å
55T95.3Very high96.4Very high10 Ų1063.1 Ų63.16%0.06136%0.362CS..Hα-helixtrans-63.8-30.2-173.158.70000113.7A45 L48 L50 P51 A52 Q57 L58A45-T55 VanDerWaalsContact O-CB 3.27Å; A45-T55 WeakPolarHBondContact O-CB 3.48Å; A45-T55 VanDerWaalsContact O-CG2 3.3Å; A45-T55 WeakPolarHBondContact O-CG2 3.45Å; L48-T55 HydrophobicContact CB-CG2 4.13Å; L50-T55 HydrophobicContact CB-CG2 3.6Å; P51-T55 PolarHBondContact O-N 3.09Å; P51-T55 VanDerWaalsContact O-N 3.09Å; A52-T55 WeakPolarHBondContact CA-OG1 3.48Å; T55-Q57 PolarHBondContact O-N 3.37Å; T55-L58 HydrophobicContact CG2-CD1 4.37Å
56S93.8Very high96.4Very high68 Ų6863.6 Ų63.648%0.47637%0.365SS..THydrogen-bonded Turntrans-67.6-14.4174.653.50000114.8A52 I54A52-S56 VanDerWaalsContact O-CB 3.32Å; A52-S56 WeakPolarHBondContact O-CB 3.46Å; A52-S56 PolarHBondContact O-N 3.37Å; A52-S56 VanDerWaalsContact O-N 3.16Å; A52-S56 PolarHBondContact O-OG 3.35Å; I54-S56 VanDerWaalsContact C-N 3.26Å; I54-S56 PolarHBondContact O-N 3.49Å
57Q95Very high96.5Very high162 Ų16260 Ų6076%0.75735%0.351SS*.THydrogen-bonded Turntrans-110.70.8-177.2-59.9-174.960.200113.5A53 I54 T55A53-Q57 PolarHBondContact O-NE2 3.2Å; I54-Q57 PolarHBondContact O-N 3.3Å; T55-Q57 PolarHBondContact O-N 3.37Å
58L96.6Very high96.5Very high28 Ų2857.7 Ų57.715%0.14734%0.338CS..  trans-70.3141.2-177.2-65.2173.7000112.7L48 I54 T55 I63 L66 V157L48-L58 HydrophobicContact CD1-CD1 3.57Å; I54-L58 HydrophobicContact CG2-CD2 4.38Å; T55-L58 HydrophobicContact CG2-CD1 4.37Å; L58-I63 HydrophobicContact CB-CD1 4.18Å; L58-I63 HydrophobicContact CB-CG1 3.67Å; L58-I63 HydrophobicContact CD1-CG1 4.11Å; L58-L66 HydrophobicContact CD1-CD1 3.82Å; L58-L66 HydrophobicContact CD2-CD1 4.12Å; L58-V157 HydrophobicContact CD2-CG1 3.52Å; L58-V157 HydrophobicContact CD2-CG2 4.48Å
59D96.9Very high96.6Very high85 Ų8557.4 Ų57.446%0.45534%0.337SS..  trans-74.5159.116780.1-87.7000111.7A61 S62 I63D59-A61 VanDerWaalsContact C-N 3.33Å; D59-A61 PolarHBondContact O-N 3Å; D59-A61 WeakPolarHBondContact OD2-CA 3.16Å; D59-A61 VanDerWaalsContact OD2-CB 3.29Å; D59-A61 WeakPolarHBondContact OD2-CB 3.06Å; D59-A61 PolarHBondContact OD2-N 3.01Å; D59-S62 PolarHBondContact O-N 3.47Å; D59-S62 WeakPolarHBondContact OD1-CB 3.48Å; D59-S62 PolarHBondContact OD1-OG 3.03Å; D59-S62 PolarHBondContact OD2-N 2.94Å; D59-I63 WeakPolarHBondContact O-CG1 3.12Å; D59-I63 PolarHBondContact O-N 3.44Å
60K97.2Very high96.7Very high78 Ų7858.2 Ų58.234%0.33933%0.33SS..Hα-helixtrans-58.8-36.7-178-75.3-173168.7-176.10114.5E37 N38 F41 I64E37-K60 IonicContact OE1-NZ 3.64Å; E37-K60 PolarHBondContact OE1-NZ 2.83Å; N38-K60 VanDerWaalsContact OD1-CE 3.32Å; N38-K60 WeakPolarHBondContact OD1-CE 3.31Å; N38-K60 PolarHBondContact OD1-NZ 3.49Å; F41-K60 HydrophobicContact CD1-CB 4.09Å; F41-K60 HydrophobicContact CD1-CD 4.4Å; F41-K60 HydrophobicContact CD1-CG 3.83Å; F41-K60 HydrophobicContact CD2-CD 3.77Å; F41-K60 HydrophobicContact CD2-CG 4.05Å; F41-K60 HydrophobicContact CE1-CB 3.68Å; F41-K60 HydrophobicContact CE1-CD 4.22Å; F41-K60 HydrophobicContact CE1-CG 3.84Å; F41-K60 WeakPolarHBondContact CE1-O 3.49Å; F41-K60 HydrophobicContact CE2-CD 3.6Å; F41-K60 HydrophobicContact CE2-CG 4.09Å; F41-K60 HydrophobicContact CG-CD 4.2Å; F41-K60 HydrophobicContact CG-CG 3.94Å; F41-K60 HydrophobicContact CZ-CB 3.95Å; F41-K60 HydrophobicContact CZ-CD 3.85Å; F41-K60 HydrophobicContact CZ-CG 3.99Å; K60-I64 PolarHBondContact O-N 3.47Å
61A97.7Very high96.8Very high67 Ų6759.9 Ų59.955%0.55434%0.339SS*.Hα-helixtrans-73-41.7-179.700000110.5D59 I63 I64 R65D59-A61 VanDerWaalsContact C-N 3.33Å; D59-A61 PolarHBondContact O-N 3Å; D59-A61 WeakPolarHBondContact OD2-CA 3.16Å; D59-A61 VanDerWaalsContact OD2-CB 3.29Å; D59-A61 WeakPolarHBondContact OD2-CB 3.06Å; D59-A61 PolarHBondContact OD2-N 3.01Å; A61-I63 PolarHBondContact O-N 3.5Å; A61-I64 PolarHBondContact O-N 3.04Å; A61-R65 WeakPolarHBondContact O-CB 3.41Å; A61-R65 PolarHBondContact O-N 2.86Å
62S97.3Very high96.8Very high12 Ų1259.9 Ų59.98%0.08433%0.33CS..Hα-helixtrans-63.3-38173.1-64.60000112.9D59 I64 R65 L66D59-S62 PolarHBondContact O-N 3.47Å; D59-S62 WeakPolarHBondContact OD1-CB 3.48Å; D59-S62 PolarHBondContact OD1-OG 3.03Å; D59-S62 PolarHBondContact OD2-N 2.94Å; S62-I64 PolarHBondContact O-N 3.05Å; S62-R65 PolarHBondContact O-N 3.33Å; S62-R65 PolarHBondContact OG-NH2 3.28Å; S62-L66 VanDerWaalsContact O-CB 3.29Å; S62-L66 WeakPolarHBondContact O-CB 3.35Å; S62-L66 WeakPolarHBondContact O-CG 3.44Å; S62-L66 PolarHBondContact O-N 2.74Å
63I98.3Very high96.9Very high8 Ų857.8 Ų57.84%0.04131%0.308CS..Hα-helixtrans-55.5-53.1174-67.4161.6000110.5F41 L44 A45 L58 D59 A61 R65 L66 T67F41-I63 HydrophobicContact CD1-CB 4.38Å; F41-I63 HydrophobicContact CD1-CD1 4.27Å; F41-I63 HydrophobicContact CD1-CG2 4.22Å; L44-I63 HydrophobicContact CB-CG2 4.28Å; L44-I63 HydrophobicContact CD2-CG2 3.9Å; L44-I63 HydrophobicContact CG-CG2 3.9Å; A45-I63 HydrophobicContact CB-CD1 3.88Å; A45-I63 HydrophobicContact CB-CG1 4Å; A45-I63 HydrophobicContact CB-CG2 4.5Å; L58-I63 HydrophobicContact CB-CD1 4.18Å; L58-I63 HydrophobicContact CB-CG1 3.67Å; L58-I63 HydrophobicContact CD1-CG1 4.11Å; D59-I63 WeakPolarHBondContact O-CG1 3.12Å; D59-I63 PolarHBondContact O-N 3.44Å; A61-I63 PolarHBondContact O-N 3.5Å; I63-R65 PolarHBondContact O-N 3.22Å; I63-L66 PolarHBondContact O-N 3.37Å; I63-T67 PolarHBondContact O-N 3.01Å; I63-T67 PolarHBondContact O-OG1 2.92Å
64I98.4Very high96.8Very high70 Ų7060.1 Ų60.136%0.35930%0.302SS..Hα-helixtrans-63.9-43.7179.5-59.9-59000111.8F41 L44 K60 A61 S62 L66 T67 I68F41-I64 HydrophobicContact CE1-CD1 3.82Å; F41-I64 HydrophobicContact CE1-CG1 3.77Å; F41-I64 HydrophobicContact CZ-CD1 4.42Å; F41-I64 HydrophobicContact CZ-CG1 4.37Å; L44-I64 HydrophobicContact CD2-CD1 4.07Å; K60-I64 PolarHBondContact O-N 3.47Å; A61-I64 PolarHBondContact O-N 3.04Å; S62-I64 PolarHBondContact O-N 3.05Å; I64-L66 VanDerWaalsContact C-N 3.35Å; I64-L66 PolarHBondContact O-N 3.44Å; I64-T67 PolarHBondContact O-N 3.09Å; I64-I68 HydrophobicContact CG2-CD1 3.62Å; I64-I68 HydrophobicContact CG2-CG1 4.21Å; I64-I68 WeakPolarHBondContact O-CB 3.36Å; I64-I68 WeakPolarHBondContact O-CG1 3.27Å; I64-I68 PolarHBondContact O-N 2.93Å
65R98.1Very high96.6Very high56 Ų5660 Ų6021%0.21130%0.302CS..Hα-helixtrans-60.7-43.1-180-175.216957.992.210.4111.5A61 S62 I63 S69 V157 E158 T160 S162A61-R65 WeakPolarHBondContact O-CB 3.41Å; A61-R65 PolarHBondContact O-N 2.86Å; S62-R65 PolarHBondContact O-N 3.33Å; S62-R65 PolarHBondContact OG-NH2 3.28Å; I63-R65 PolarHBondContact O-N 3.22Å; R65-S69 VanDerWaalsContact O-CB 3.31Å; R65-S69 WeakPolarHBondContact O-CB 3.41Å; R65-S69 PolarHBondContact O-N 3.35Å; R65-S69 PolarHBondContact O-OG 2.74Å; R65-V157 PolarHBondContact NH1-O 3.15Å; R65-V157 PolarHBondContact NH2-O 3.08Å; R65-E158 PolarHBondContact NH1-O 2.92Å; R65-T160 PolarHBondContact NH1-O 3.48Å; R65-S162 PolarHBondContact NH1-OG 2.9Å
66L98.3Very high96.4Very high12 Ų1260 Ų606%0.06330%0.301CS..Hα-helixtrans-67.9-43.2174.2-68.1171.5000112L48 L50 L58 S62 I63 I64 S69 Y70 V157 T160L48-L66 HydrophobicContact CD1-CB 4Å; L48-L66 HydrophobicContact CD1-CD1 3.95Å; L48-L66 HydrophobicContact CD2-CB 3.93Å; L50-L66 HydrophobicContact CD1-CD1 3.93Å; L58-L66 HydrophobicContact CD1-CD1 3.82Å; L58-L66 HydrophobicContact CD2-CD1 4.12Å; S62-L66 VanDerWaalsContact O-CB 3.29Å; S62-L66 WeakPolarHBondContact O-CB 3.35Å; S62-L66 WeakPolarHBondContact O-CG 3.44Å; S62-L66 PolarHBondContact O-N 2.74Å; I63-L66 PolarHBondContact O-N 3.37Å; I64-L66 VanDerWaalsContact C-N 3.35Å; I64-L66 PolarHBondContact O-N 3.44Å; L66-S69 PolarHBondContact O-N 3.04Å; L66-Y70 VanDerWaalsContact O-CB 3.3Å; L66-Y70 WeakPolarHBondContact O-CB 3.4Å; L66-Y70 PolarHBondContact O-N 2.86Å; L66-V157 HydrophobicContact CD1-CG1 4.33Å; L66-T160 HydrophobicContact CD2-CG2 3.82Å
67T98.3Very high96.3Very high26 Ų2657.5 Ų57.516%0.1629%0.285CS..Hα-helixtrans-60.1-47.9176-58.90000111.9L44 I63 I64 S69 Y70 L71L44-T67 HydrophobicContact CD1-CG2 4.01Å; L44-T67 HydrophobicContact CD2-CG2 4.49Å; I63-T67 PolarHBondContact O-N 3.01Å; I63-T67 PolarHBondContact O-OG1 2.92Å; I64-T67 PolarHBondContact O-N 3.09Å; T67-S69 VanDerWaalsContact C-N 3.33Å; T67-S69 PolarHBondContact O-N 3.08Å; T67-Y70 PolarHBondContact O-N 2.63Å; T67-L71 HydrophobicContact CG2-CD1 4.09Å; T67-L71 VanDerWaalsContact O-CG 3.32Å; T67-L71 WeakPolarHBondContact O-CG 3.47Å; T67-L71 PolarHBondContact O-N 3.47Å
68I98.3Very high95.9Very high90 Ų9053 Ų5346%0.46227%0.266SS..Hα-helixtrans-61.4-44.4178.2-69.9172.1000110.4I64 L71 K72I64-I68 HydrophobicContact CG2-CD1 3.62Å; I64-I68 HydrophobicContact CG2-CG1 4.21Å; I64-I68 WeakPolarHBondContact O-CB 3.36Å; I64-I68 WeakPolarHBondContact O-CG1 3.27Å; I64-I68 PolarHBondContact O-N 2.93Å; I68-L71 PolarHBondContact O-N 3.28Å; I68-K72 WeakPolarHBondContact O-CB 3.26Å; I68-K72 PolarHBondContact O-N 2.86Å
69S98.1Very high95.3Very high6 Ų655.5 Ų55.54%0.04228%0.277CS..Hα-helixtrans-66.3-43-179.4-54.80000111.8R65 L66 T67 L71 K72 M73 G161R65-S69 VanDerWaalsContact O-CB 3.31Å; R65-S69 WeakPolarHBondContact O-CB 3.41Å; R65-S69 PolarHBondContact O-N 3.35Å; R65-S69 PolarHBondContact O-OG 2.74Å; L66-S69 PolarHBondContact O-N 3.04Å; T67-S69 VanDerWaalsContact C-N 3.33Å; T67-S69 PolarHBondContact O-N 3.08Å; S69-L71 PolarHBondContact O-N 3.35Å; S69-K72 PolarHBondContact O-N 2.93Å; S69-M73 WeakPolarHBondContact O-CB 3.43Å; S69-M73 PolarHBondContact O-N 2.9Å; S69-G161 WeakPolarHBondContact OG-CA 3.45Å; S69-G161 PolarHBondContact OG-N 2.97Å
70Y97.8Very high94.3Very high106 Ų10651.7 Ų51.742%0.41626%0.257SS..Hα-helixtrans-60.9-42.3175174.7-106000112.5P49 L66 T67 M73 R74P49-Y70 HydrophobicContact CB-CE2 4.45Å; P49-Y70 HydrophobicContact CG-CD2 3.7Å; P49-Y70 HydrophobicContact CG-CE2 3.84Å; P49-Y70 HydrophobicContact CG-CG 4.4Å; L66-Y70 VanDerWaalsContact O-CB 3.3Å; L66-Y70 WeakPolarHBondContact O-CB 3.4Å; L66-Y70 PolarHBondContact O-N 2.86Å; T67-Y70 PolarHBondContact O-N 2.63Å; Y70-M73 PolarHBondContact O-N 3.13Å; Y70-R74 WeakPolarHBondContact O-CB 3.18Å; Y70-R74 PolarHBondContact O-N 3.07Å
71L97.4Very high93.2Very high73 Ų7354.5 Ų54.538%0.38228%0.276SS..Hα-helixtrans-65.7-49.6175.9-68.6172.2000111.3T67 I68 S69 M73 R74 D75T67-L71 HydrophobicContact CG2-CD1 4.09Å; T67-L71 VanDerWaalsContact O-CG 3.32Å; T67-L71 WeakPolarHBondContact O-CG 3.47Å; T67-L71 PolarHBondContact O-N 3.47Å; I68-L71 PolarHBondContact O-N 3.28Å; S69-L71 PolarHBondContact O-N 3.35Å; L71-M73 VanDerWaalsContact C-N 3.28Å; L71-M73 PolarHBondContact O-N 3.47Å; L71-R74 PolarHBondContact O-N 2.67Å; L71-D75 VanDerWaalsContact O-CG 3.3Å; L71-D75 PolarHBondContact O-N 2.97Å
72K95.8Very high92.3Very high84 Ų8455.7 Ų55.737%0.36528%0.279SS..Hα-helixtrans-57.7-39.1173.5-79.7-165.5172.3-167.80112I68 S69 D75 F76 N136 E138 L142I68-K72 WeakPolarHBondContact O-CB 3.26Å; I68-K72 PolarHBondContact O-N 2.86Å; S69-K72 PolarHBondContact O-N 2.93Å; K72-D75 PolarHBondContact O-N 2.9Å; K72-F76 VanDerWaalsContact O-CB 3.27Å; K72-F76 WeakPolarHBondContact O-CB 3.48Å; K72-F76 PolarHBondContact O-N 2.83Å; K72-N136 PolarHBondContact NZ-ND2 2.95Å; K72-E138 IonicContact NZ-OE1 2.72Å; K72-E138 IonicContact NZ-OE2 2.61Å; K72-E138 PolarHBondContact NZ-OE2 3.23Å; K72-L142 HydrophobicContact CB-CD2 3.55Å; K72-L142 HydrophobicContact CD-CD2 4.08Å; K72-L142 HydrophobicContact CG-CD2 4.47Å
73M95.2Very high91.6Very high31 Ų3158.2 Ų58.215%0.15330%0.295CS..Hα-helixtrans-66.4-44.6179.2179.758.6179.400112S69 Y70 L71 D75 F76 A77 W84 A134 L142 Y143S69-M73 WeakPolarHBondContact O-CB 3.43Å; S69-M73 PolarHBondContact O-N 2.9Å; Y70-M73 PolarHBondContact O-N 3.13Å; L71-M73 VanDerWaalsContact C-N 3.28Å; L71-M73 PolarHBondContact O-N 3.47Å; M73-D75 VanDerWaalsContact C-N 3.33Å; M73-F76 PolarHBondContact O-N 2.93Å; M73-A77 VanDerWaalsContact O-CB 3.27Å; M73-A77 WeakPolarHBondContact O-CB 3.41Å; M73-A77 PolarHBondContact O-N 3.48Å; M73-W84 HydrophobicContact CE-CE3 4.34Å; M73-W84 HydrophobicContact CE-CZ3 3.67Å; M73-A134 HydrophobicContact CE-CB 4.4Å; M73-A134 HydrophobicContact SD-CB 4.2Å; M73-L142 HydrophobicContact CB-CB 4Å; M73-L142 HydrophobicContact CG-CB 4.39Å; M73-L142 HydrophobicContact SD-CB 3.72Å; M73-Y143 HydrophobicContact CE-CD1 4.38Å; M73-Y143 HydrophobicContact CE-CD2 4.49Å; M73-Y143 HydrophobicContact CE-CG 3.85Å
74R93.3Very high90.9Very high117 Ų11762.9 Ų62.944%0.44231%0.312SS..Hα-helixtrans-62.7-42.7174.6-172.5-173.366.6-170.3-2111Y70 L71 A77 N78Y70-R74 WeakPolarHBondContact O-CB 3.18Å; Y70-R74 PolarHBondContact O-N 3.07Å; L71-R74 PolarHBondContact O-N 2.67Å; R74-A77 PolarHBondContact O-N 2.73Å; R74-N78 WeakPolarHBondContact O-CB 3.39Å; R74-N78 PolarHBondContact O-N 2.79Å; R74-N78 PolarHBondContact O-ND2 2.92Å; R74-N78 VanDerWaalsContact O-ND2 3.12Å
75D91.3Very high89.6Confident71 Ų7164.4 Ų64.438%0.3832%0.32SS..Hα-helixtrans-68.9-36.1178.9-66.1-5.8000111.3L71 K72 M73 Q79L71-D75 VanDerWaalsContact O-CG 3.3Å; L71-D75 PolarHBondContact O-N 2.97Å; K72-D75 PolarHBondContact O-N 2.9Å; M73-D75 VanDerWaalsContact C-N 3.33Å; D75-Q79 WeakPolarHBondContact O-CB 3.48Å; D75-Q79 VanDerWaalsContact O-CG 3.25Å; D75-Q79 WeakPolarHBondContact O-CG 3.47Å; D75-Q79 PolarHBondContact O-N 3.47Å; D75-Q79 PolarHBondContact O-NE2 3.25Å
76F91.9Very high87.5Confident10 Ų1068.8 Ų68.84%0.04435%0.347CS..Hα-helixtrans-63.3-50.8170.7177.8-86.8000111.4K72 M73 N78 Q79 W84 A134 L142 R263 M279 V282K72-F76 VanDerWaalsContact O-CB 3.27Å; K72-F76 WeakPolarHBondContact O-CB 3.48Å; K72-F76 PolarHBondContact O-N 2.83Å; M73-F76 PolarHBondContact O-N 2.93Å; F76-N78 PolarHBondContact O-N 3.34Å; F76-Q79 PolarHBondContact O-N 3.25Å; F76-Q79 VanDerWaalsContact O-N 3.15Å; F76-W84 HydrophobicContact CD1-CH2 4.26Å; F76-W84 HydrophobicContact CD1-CZ3 4.33Å; F76-W84 AromaticContact CE1-CH2 3.71Å; F76-W84 HydrophobicContact CE1-CH2 3.71Å; F76-W84 HydrophobicContact CE1-CZ2 4.15Å; F76-W84 HydrophobicContact CE1-CZ3 4.23Å; F76-A134 HydrophobicContact CE1-CB 4.33Å; F76-L142 HydrophobicContact CB-CD1 3.56Å; F76-L142 HydrophobicContact CD1-CD1 4.32Å; F76-L142 HydrophobicContact CD2-CD1 3.72Å; F76-L142 HydrophobicContact CE2-CD1 4.46Å; F76-L142 HydrophobicContact CG-CD1 3.64Å; F76-R263 HydrophobicContact CE2-CB 4.49Å; F76-R263 HydrophobicContact CZ-CB 4.02Å; F76-R263 HydrophobicContact CZ-CG 4.49Å; F76-R263 PolarHBondContact O-NH1 2.81Å; F76-M279 HydrophobicContact CB-CE 4.4Å; F76-M279 HydrophobicContact CD2-CB 3.93Å; F76-M279 HydrophobicContact CD2-CE 3.75Å; F76-M279 HydrophobicContact CE2-CB 3.67Å; F76-M279 HydrophobicContact CE2-CE 4.26Å; F76-M279 WeakPolarHBondContact CE2-O 3.31Å; F76-M279 HydrophobicContact CG-CE 4.07Å; F76-M279 WeakPolarHBondContact O-CE 3.32Å; F76-V282 HydrophobicContact CE1-CG2 3.73Å; F76-V282 HydrophobicContact CZ-CG2 3.62Å
77A90.8Very high85Confident15 Ų1579 Ų7912%0.12439%0.385CS..Hα-helixtrans-52.5-41.5177.800000112.2M73 R74 P83 W84 R263M73-A77 VanDerWaalsContact O-CB 3.27Å; M73-A77 WeakPolarHBondContact O-CB 3.41Å; M73-A77 PolarHBondContact O-N 3.48Å; R74-A77 PolarHBondContact O-N 2.73Å; A77-P83 WeakPolarHBondContact O-CA 3.24Å; A77-W84 HydrophobicContact CB-CB 4.18Å; A77-W84 HydrophobicContact CB-CD2 4.28Å; A77-W84 HydrophobicContact CB-CE3 3.81Å; A77-W84 HydrophobicContact CB-CG 4.46Å; A77-W84 PolarHBondContact O-N 3.06Å; A77-R263 PolarHBondContact O-NH2 2.8Å; A77-R263 VanDerWaalsContact O-NH2 3.08Å
78N87.9Confident82.4Confident67 Ų6785.2 Ų85.236%0.35841%0.414SS..Hα-helixtrans-74.6-22.5-179.4-73.7-25.9000116R74 F76 N85R74-N78 WeakPolarHBondContact O-CB 3.39Å; R74-N78 PolarHBondContact O-N 2.79Å; R74-N78 PolarHBondContact O-ND2 2.92Å; R74-N78 VanDerWaalsContact O-ND2 3.12Å; F76-N78 PolarHBondContact O-N 3.34Å; N78-N85 PolarHBondContact OD1-ND2 3.11Å
79Q84.3Confident79.5Confident81 Ų8189.7 Ų89.738%0.37943%0.433SS..Hα-helixtrans-105.3-18.8-164.5-81177.996.300116.3D75 F76 M279D75-Q79 WeakPolarHBondContact O-CB 3.48Å; D75-Q79 VanDerWaalsContact O-CG 3.25Å; D75-Q79 WeakPolarHBondContact O-CG 3.47Å; D75-Q79 PolarHBondContact O-N 3.47Å; D75-Q79 PolarHBondContact O-NE2 3.25Å; F76-Q79 PolarHBondContact O-N 3.25Å; F76-Q79 VanDerWaalsContact O-N 3.15Å; Q79-M279 HydrophobicContact CB-CE 3.65Å; Q79-M279 HydrophobicContact CB-SD 4.39Å
80G75Confident76.9Confident5 Ų591.8 Ų91.85%0.05246%0.456CS..SBendtrans-94.5167173.200000111.7P82 P83 R263G80-P82 CarbonylContact O-C 3.57Å; G80-P82 VanDerWaalsContact O-O 3.11Å; G80-P83 WeakPolarHBondContact O-CA 3.39Å; G80-P83 VanDerWaalsContact O-N 3.14Å; G80-R263 PolarHBondContact O-NH2 3.43Å
81D74.2Confident74.2Confident138 Ų13892 Ų9274%0.73847%0.47SS*.SBendtrans-98.7136.4-176.3-162.822.2000111.9
82P78.4Confident71.4Confident92 Ų9293 Ų9360%0.59748%0.481SS*.SBendcis-63.4155.7-24.530.9-35.2000111.3G80 W84 R263G80-P82 CarbonylContact O-C 3.57Å; G80-P82 VanDerWaalsContact O-O 3.11Å; P82-W84 VanDerWaalsContact O-CD1 3.28Å; P82-R263 PolarHBondContact O-NH2 3.43Å
83P82.9Confident69Low65 Ų6595 Ų9542%0.42250%0.503SS..PPolyproline II helixtrans-68.9132.1172.528.6-34000109.6A77 G80 N85A77-P83 WeakPolarHBondContact O-CA 3.24Å; G80-P83 WeakPolarHBondContact O-CA 3.39Å; G80-P83 VanDerWaalsContact O-N 3.14Å; P83-N85 PolarHBondContact O-N 2.94Å
84W84.4Confident66.4Low106 Ų106101.3 Ų101.340%0.40254%0.537SS..SBendtrans-74.611.1-169-58.9-15.2000115.5M73 F76 A77 P82 L86 V282M73-W84 HydrophobicContact CE-CE3 4.34Å; M73-W84 HydrophobicContact CE-CZ3 3.67Å; F76-W84 HydrophobicContact CD1-CH2 4.26Å; F76-W84 HydrophobicContact CD1-CZ3 4.33Å; F76-W84 AromaticContact CE1-CH2 3.71Å; F76-W84 HydrophobicContact CE1-CH2 3.71Å; F76-W84 HydrophobicContact CE1-CZ2 4.15Å; F76-W84 HydrophobicContact CE1-CZ3 4.23Å; A77-W84 HydrophobicContact CB-CB 4.18Å; A77-W84 HydrophobicContact CB-CD2 4.28Å; A77-W84 HydrophobicContact CB-CE3 3.81Å; A77-W84 HydrophobicContact CB-CG 4.46Å; A77-W84 PolarHBondContact O-N 3.06Å; P82-W84 VanDerWaalsContact O-CD1 3.28Å; W84-L86 PolarHBondContact O-N 3.11Å; W84-V282 HydrophobicContact CH2-CG1 3.89Å; W84-V282 HydrophobicContact CH2-CG2 3.85Å; W84-V282 HydrophobicContact CZ2-CG1 4.04Å; W84-V282 HydrophobicContact CZ2-CG2 3.9Å
85N70.3Confident64.1Low101 Ų101100.8 Ų100.854%0.5455%0.547SS..SBendtrans-71.3121166.7-60-72.9000107.9N78 P83 R87N78-N85 PolarHBondContact OD1-ND2 3.11Å; P83-N85 PolarHBondContact O-N 2.94Å; N85-R87 PolarHBondContact O-N 3.14Å
86L52.9Low61.8Low148 Ų148103.1 Ų103.178%0.77557%0.569SS**  trans-63.192157.5-75.691.1000107.7W84 M88W84-L86 PolarHBondContact O-N 3.11Å; L86-M88 VanDerWaalsContact C-N 3.28Å; L86-M88 PolarHBondContact O-N 3.25Å
87R47.2Very low59.4Low228 Ų228108.2 Ų108.286%0.8660%0.601SS**  trans-62103.3150.5-80.6-169.9173-122.1-0.1105.6N85 E89N85-R87 PolarHBondContact O-N 3.14Å; R87-E89 VanDerWaalsContact C-N 3.26Å; R87-E89 PolarHBondContact O-N 3.14Å
88M43.2Very low57.4Low155 Ų155116.5 Ų116.576%0.76463%0.634SS**  trans-51.5107.1145.1-87.6-164.5164.900106L86 G90L86-M88 VanDerWaalsContact C-N 3.28Å; L86-M88 PolarHBondContact O-N 3.25Å; M88-G90 PolarHBondContact O-N 2.97Å
89E37.9Very low54.9Low184 Ų184119 Ų11986%0.8665%0.651SS**  trans-73.575.8173.1-169159.6-14600107.7R87R87-E89 VanDerWaalsContact C-N 3.26Å; R87-E89 PolarHBondContact O-N 3.14Å
90G42.8Very low53Low51 Ų51122.2 Ų122.253%0.52667%0.669SS.*PPolyproline II helixtrans-53140.2165.700000108.3M88M88-G90 PolarHBondContact O-N 2.97Å
91P40.2Very low51.6Low110 Ų110125.7 Ų125.771%0.71471%0.706SS**PPolyproline II helixtrans-53.4139.6-169.821.8-33.9000110.7
92P39.8Very low49.8Very low95 Ų95123 Ų12362%0.61770%0.702SS**PPolyproline II helixtrans-55.2140.3-168.620.6-33.4000111N94P92-N94 VanDerWaalsContact C-N 3.27Å; P92-N94 PolarHBondContact O-N 2.92Å
93P44.6Very low48Very low125 Ų125127.9 Ų127.981%0.81272%0.717SS**THydrogen-bonded Turntrans-73.379-171.230.3-36.3000111.3
94N42.1Very low46.3Very low163 Ų163136.4 Ų136.487%0.87274%0.741SS**THydrogen-bonded Turntrans-170.40.1159.1-95-27.6000115.9P92 S96P92-N94 VanDerWaalsContact C-N 3.27Å; P92-N94 PolarHBondContact O-N 2.92Å; N94-S96 PolarHBondContact O-N 3.31Å
95T44.6Very low44.5Very low106 Ų106142.9 Ų142.965%0.6577%0.765SS**  trans-98.763.5178.236.30000114V97T95-V97 VanDerWaalsContact C-N 3.27Å; T95-V97 PolarHBondContact O-N 3.28Å
96S42.1Very low43.6Very low121 Ų121146 Ų14685%0.84677%0.769SS**  trans-76.564177.164.10000113.8N94 K98N94-S96 PolarHBondContact O-N 3.31Å; S96-K98 PolarHBondContact O-N 2.69Å
97V42Very low43.7Very low117 Ų117141.2 Ų141.271%0.70975%0.748SS**  trans-85.7109.4173.1-176.80000110T95 V99T95-V97 VanDerWaalsContact C-N 3.27Å; T95-V97 PolarHBondContact O-N 3.28Å; V97-V99 HydrophobicContact CG1-CG2 4.19Å; V97-V99 PolarHBondContact O-N 2.7Å
98K47.5Very low44.2Very low189 Ų189135.9 Ų135.982%0.82274%0.743SS**  trans-6990.2172.3-83.3-175.3173.7178.50111.1S96 I100S96-K98 PolarHBondContact O-N 2.69Å; K98-I100 PolarHBondContact O-N 3.25Å
99V36.7Very low44.7Very low118 Ų118132 Ų13272%0.71573%0.731SS**  trans-83.191.4162.4-175.90000108.7V97V97-V99 HydrophobicContact CG1-CG2 4.19Å; V97-V99 PolarHBondContact O-N 2.7Å
100I43.8Very low45.8Very low149 Ų149124.7 Ų124.776%0.76470%0.703SS**  trans-80.2134.6169.3-62.5173.5000108.1K98K98-I100 PolarHBondContact O-N 3.25Å
101G45.4Very low46.7Very low79 Ų79126.1 Ų126.181%0.81470%0.698SS**  trans86.754164.500000116.5
102A36.3Very low47.7Very low80 Ų80122.8 Ų122.866%0.66168%0.679SS**  trans-134.9118.715800000110.2R104A102-R104 PolarHBondContact O-N 3.01Å; A102-R104 VanDerWaalsContact O-N 3.12Å
103Q42Very low48.8Very low196 Ų196123 Ų12392%0.91667%0.674SS**  trans-62.2114.3166.1-94.6155.2-88.600108.3R105Q103-R105 VanDerWaalsContact C-N 3.33Å; Q103-R105 PolarHBondContact O-N 3.5Å
104R46.3Very low49.9Very low244 Ų244122 Ų12292%0.92166%0.659SS**  trans-58.498.4166.5-85.9-170.6174.4-167.8-0.4108.1A102 R106A102-R104 PolarHBondContact O-N 3.01Å; A102-R104 VanDerWaalsContact O-N 3.12Å; R104-R106 VanDerWaalsContact C-N 3.31Å; R104-R106 PolarHBondContact O-N 3.03Å
105R45.8Very low51.2Low241 Ų241118.3 Ų118.391%0.90964%0.642SS**  trans-57.8104.5147.7-70.3-170.5-179.8-154.52105Q103 S107Q103-R105 VanDerWaalsContact C-N 3.33Å; Q103-R105 PolarHBondContact O-N 3.5Å; R105-S107 PolarHBondContact O-N 3.49Å
106R52.9Low52.5Low167 Ų167119.1 Ų119.163%0.6364%0.636SS**  trans-54.5116.3166.6-77.6-173.1170.399.5-6.3105.7R104 L111 E114R104-R106 VanDerWaalsContact C-N 3.31Å; R104-R106 PolarHBondContact O-N 3.03Å; R106-L111 HydrophobicContact CB-CD1 3.96Å; R106-L111 HydrophobicContact CB-CG 4.27Å; R106-E114 IonicContact NE-OE2 3.2Å
107S55.3Low54.2Low48 Ų48117.5 Ų117.534%0.33662%0.616SS.*  trans-65.5149.8175.856.40000108.6R105 S109 A110 L111R105-S107 PolarHBondContact O-N 3.49Å; S107-S109 WeakPolarHBondContact CB-OG 3.4Å; S107-S109 PolarHBondContact O-N 3.38Å; S107-S109 VanDerWaalsContact O-N 3.13Å; S107-S109 PolarHBondContact OG-OG 2.98Å; S107-A110 PolarHBondContact O-N 3.29Å; S107-A110 WeakPolarHBondContact OG-CB 3.28Å; S107-A110 PolarHBondContact OG-N 2.81Å; S107-A110 VanDerWaalsContact OG-N 3.09Å; S107-L111 PolarHBondContact O-N 3.43Å; S107-L111 VanDerWaalsContact O-N 3.16Å
108P56.8Low55.9Low116 Ų116115.5 Ų115.575%0.75361%0.611SS**Hα-helixtrans-54.1-30.3170.4-27.536.2000112.2A112P108-A112 VanDerWaalsContact O-CB 3.25Å; P108-A112 WeakPolarHBondContact O-CB 3.37Å; P108-A112 PolarHBondContact O-N 2.95Å
109S53.3Low57.6Low72 Ų72111.7 Ų111.750%0.50360%0.596SS.*Hα-helixtrans-66-39.4172.254.10000114S107 A112 I113S107-S109 WeakPolarHBondContact CB-OG 3.4Å; S107-S109 PolarHBondContact O-N 3.38Å; S107-S109 VanDerWaalsContact O-N 3.13Å; S107-S109 PolarHBondContact OG-OG 2.98Å; S109-A112 PolarHBondContact O-N 3.12Å; S109-I113 WeakPolarHBondContact O-CB 3.44Å; S109-I113 WeakPolarHBondContact O-CD1 3.45Å; S109-I113 VanDerWaalsContact O-CG1 3.22Å; S109-I113 WeakPolarHBondContact O-CG1 3.17Å; S109-I113 PolarHBondContact O-N 3.25Å
110A61.5Low60Low32 Ų32110 Ų11026%0.26458%0.583SS.*Hα-helixtrans-68.1-40.2177.200000111.4S107 I113 E114S107-A110 PolarHBondContact O-N 3.29Å; S107-A110 WeakPolarHBondContact OG-CB 3.28Å; S107-A110 PolarHBondContact OG-N 2.81Å; S107-A110 VanDerWaalsContact OG-N 3.09Å; A110-I113 PolarHBondContact O-N 3.36Å; A110-E114 WeakPolarHBondContact O-CB 3.37Å; A110-E114 WeakPolarHBondContact O-CG 3.42Å; A110-E114 PolarHBondContact O-N 2.83Å
111L62.1Low62Low81 Ų81105.2 Ų105.242%0.42457%0.57SS.*Hα-helixtrans-68.8-37.2173.9-84.8158.9000112.5R106 S107 E114 V115R106-L111 HydrophobicContact CB-CD1 3.96Å; R106-L111 HydrophobicContact CB-CG 4.27Å; S107-L111 PolarHBondContact O-N 3.43Å; S107-L111 VanDerWaalsContact O-N 3.16Å; L111-E114 PolarHBondContact O-N 2.93Å; L111-V115 WeakPolarHBondContact O-CB 3.49Å; L111-V115 VanDerWaalsContact O-CG2 3.27Å; L111-V115 WeakPolarHBondContact O-CG2 3.27Å; L111-V115 PolarHBondContact O-N 2.88Å
112A60.4Low64.1Low39 Ų39104 Ų10432%0.32255%0.549SS..Hα-helixtrans-63.6-42173.200000111.5P108 S109 V115 F116P108-A112 VanDerWaalsContact O-CB 3.25Å; P108-A112 WeakPolarHBondContact O-CB 3.37Å; P108-A112 PolarHBondContact O-N 2.95Å; S109-A112 PolarHBondContact O-N 3.12Å; A112-V115 PolarHBondContact O-N 2.81Å; A112-F116 HydrophobicContact CB-CD2 4.21Å; A112-F116 HydrophobicContact CB-CE2 4.2Å; A112-F116 WeakPolarHBondContact O-CB 3.38Å; A112-F116 WeakPolarHBondContact O-CD2 3.5Å; A112-F116 PolarHBondContact O-N 3.27Å
113I63.3Low66.7Low101 Ų101104.1 Ų104.152%0.51854%0.536SS..Hα-helixtrans-60.4-54.9172.4-68.7162.9000109.7S109 A110 V115 F116 E117S109-I113 WeakPolarHBondContact O-CB 3.44Å; S109-I113 WeakPolarHBondContact O-CD1 3.45Å; S109-I113 VanDerWaalsContact O-CG1 3.22Å; S109-I113 WeakPolarHBondContact O-CG1 3.17Å; S109-I113 PolarHBondContact O-N 3.25Å; A110-I113 PolarHBondContact O-N 3.36Å; I113-V115 PolarHBondContact O-N 2.88Å; I113-V115 VanDerWaalsContact O-N 3.1Å; I113-F116 PolarHBondContact O-N 3.24Å; I113-E117 WeakPolarHBondContact CG2-OE2 3.34Å; I113-E117 WeakPolarHBondContact O-CB 3.4Å; I113-E117 PolarHBondContact O-N 3.15Å
114E67.4Low69.2Low103 Ų10398.9 Ų98.948%0.48151%0.513SS..Hα-helixtrans-52.9-34.7178.3-74.7172.4-179.300113R106 A110 L111R106-E114 IonicContact NE-OE2 3.2Å; A110-E114 WeakPolarHBondContact O-CB 3.37Å; A110-E114 WeakPolarHBondContact O-CG 3.42Å; A110-E114 PolarHBondContact O-N 2.83Å; L111-E114 PolarHBondContact O-N 2.93Å
115V70.3Confident71.5Confident85 Ų8588.3 Ų88.352%0.51548%0.475SS..Hα-helixtrans-81.8-44.7179.9168.80000113.6L111 A112 I113 H119L111-V115 WeakPolarHBondContact O-CB 3.49Å; L111-V115 VanDerWaalsContact O-CG2 3.27Å; L111-V115 WeakPolarHBondContact O-CG2 3.27Å; L111-V115 PolarHBondContact O-N 2.88Å; A112-V115 PolarHBondContact O-N 2.81Å; I113-V115 PolarHBondContact O-N 2.88Å; I113-V115 VanDerWaalsContact O-N 3.1Å; V115-H119 PolarHBondContact O-ND1 3.17Å
116F71.1Confident73.7Confident123 Ų12384 Ų8454%0.53947%0.465SS..Hα-helixtrans-79.6-32.4-178.1-68.2-56.5000112.7A112 I113 H119 L120A112-F116 HydrophobicContact CB-CD2 4.21Å; A112-F116 HydrophobicContact CB-CE2 4.2Å; A112-F116 WeakPolarHBondContact O-CB 3.38Å; A112-F116 WeakPolarHBondContact O-CD2 3.5Å; A112-F116 PolarHBondContact O-N 3.27Å; I113-F116 PolarHBondContact O-N 3.24Å; F116-H119 PolarHBondContact O-N 3.09Å; F116-L120 WeakPolarHBondContact O-CA 3.42Å; F116-L120 WeakPolarHBondContact O-CB 3.47Å; F116-L120 PolarHBondContact O-N 3.14Å
117E77.4Confident75.6Confident88 Ų8880.9 Ų80.941%0.41147%0.469SS..Hα-helixtrans-62.9-41.4177.3-172.8171.9-163.400111.2I113 H119 L120I113-E117 WeakPolarHBondContact CG2-OE2 3.34Å; I113-E117 WeakPolarHBondContact O-CB 3.4Å; I113-E117 PolarHBondContact O-N 3.15Å; E117-H119 PolarHBondContact O-N 3.41Å; E117-H119 VanDerWaalsContact O-N 3.14Å; E117-L120 WeakPolarHBondContact O-CB 3.38Å; E117-L120 PolarHBondContact O-N 2.97Å
118A77.6Confident77.4Confident75 Ų7581.1 Ų81.162%0.6247%0.466SS*.THydrogen-bonded Turntrans-59.6-25.1178.800000114.5
119H84Confident79Confident108 Ų10880.7 Ų80.750%0.546%0.458SS..THydrogen-bonded Turntrans-119.610.1-178.2-56.593.9000112.9V115 F116 E117 G121 S122 H123V115-H119 PolarHBondContact O-ND1 3.17Å; F116-H119 PolarHBondContact O-N 3.09Å; E117-H119 PolarHBondContact O-N 3.41Å; E117-H119 VanDerWaalsContact O-N 3.14Å; H119-G121 VanDerWaalsContact C-N 3.33Å; H119-G121 PolarHBondContact O-N 3.3Å; H119-S122 PolarHBondContact O-N 3.11Å; H119-S122 VanDerWaalsContact O-N 3.1Å; H119-H123 PolarHBondContact O-N 3.04Å
120L86.1Confident81Confident84 Ų8477.3 Ų77.344%0.4443%0.434SS..Hα-helixtrans-57.1-42.6-168.8-179.259.6000112.8F116 E117 S122 H123 I124F116-L120 WeakPolarHBondContact O-CA 3.42Å; F116-L120 WeakPolarHBondContact O-CB 3.47Å; F116-L120 PolarHBondContact O-N 3.14Å; E117-L120 WeakPolarHBondContact O-CB 3.38Å; E117-L120 PolarHBondContact O-N 2.97Å; L120-S122 PolarHBondContact O-N 2.87Å; L120-H123 PolarHBondContact O-N 3.46Å; L120-I124 HydrophobicContact CD1-CD1 4.01Å; L120-I124 HydrophobicContact CD1-CG1 4.21Å; L120-I124 HydrophobicContact CG-CD1 3.87Å; L120-I124 HydrophobicContact CG-CG1 4.5Å; L120-I124 VanDerWaalsContact O-CG1 3.27Å; L120-I124 WeakPolarHBondContact O-CG1 3.39Å; L120-I124 PolarHBondContact O-N 2.79Å
121G87.6Confident82.7Confident48 Ų4875.8 Ų75.850%0.49542%0.421SS..Hα-helixtrans-60.1-46177.400000112.9H119 I124 L125H119-G121 VanDerWaalsContact C-N 3.33Å; H119-G121 PolarHBondContact O-N 3.3Å; G121-I124 PolarHBondContact O-N 3.13Å; G121-L125 WeakPolarHBondContact O-CG 3.38Å; G121-L125 PolarHBondContact O-N 2.81Å
122S88.9Confident84.4Confident54 Ų5473.4 Ų73.438%0.37841%0.41SS..Hα-helixtrans-66.7-39.9176.1-56.10000111.9H119 L120 L125 Q126H119-S122 PolarHBondContact O-N 3.11Å; H119-S122 VanDerWaalsContact O-N 3.1Å; L120-S122 PolarHBondContact O-N 2.87Å; S122-L125 PolarHBondContact O-N 2.94Å; S122-Q126 VanDerWaalsContact O-CB 3.23Å; S122-Q126 WeakPolarHBondContact O-CB 3.42Å; S122-Q126 WeakPolarHBondContact O-CG 3.2Å; S122-Q126 PolarHBondContact O-N 3.36Å
123H90.9Very high86.2Confident82 Ų8271.6 Ų71.638%0.3840%0.395SS..Hα-helixtrans-64.9-38.6175.8-72.3-30.8000112.9H119 L120 S127H119-H123 PolarHBondContact O-N 3.04Å; L120-H123 PolarHBondContact O-N 3.46Å; H123-S127 VanDerWaalsContact O-CB 3.26Å; H123-S127 WeakPolarHBondContact O-CB 3.43Å; H123-S127 PolarHBondContact O-N 2.9Å; H123-S127 VanDerWaalsContact O-N 3.16Å; H123-S127 PolarHBondContact O-OG 2.89Å
124I93.2Very high87.9Confident86 Ų8666.9 Ų66.944%0.44137%0.371SS..Hα-helixtrans-61.6-54.8173.2-70.5163.8000109.8L120 G121 Q126 S127 L128L120-I124 HydrophobicContact CD1-CD1 4.01Å; L120-I124 HydrophobicContact CD1-CG1 4.21Å; L120-I124 HydrophobicContact CG-CD1 3.87Å; L120-I124 HydrophobicContact CG-CG1 4.5Å; L120-I124 VanDerWaalsContact O-CG1 3.27Å; L120-I124 WeakPolarHBondContact O-CG1 3.39Å; L120-I124 PolarHBondContact O-N 2.79Å; G121-I124 PolarHBondContact O-N 3.13Å; I124-Q126 VanDerWaalsContact C-N 3.34Å; I124-Q126 PolarHBondContact O-N 2.86Å; I124-S127 PolarHBondContact O-N 3.15Å; I124-S127 VanDerWaalsContact O-N 3.16Å; I124-L128 HydrophobicContact CG2-CD1 4.06Å; I124-L128 WeakPolarHBondContact O-CG 3.5Å; I124-L128 PolarHBondContact O-N 2.81Å
125L94.7Very high89.3Confident22 Ų2262 Ų6212%0.11535%0.348CS..Hα-helixtrans-65.5-33.1-175.7-66.6-178.4000113.6G121 S122 V132 T147G121-L125 WeakPolarHBondContact O-CG 3.38Å; G121-L125 PolarHBondContact O-N 2.81Å; S122-L125 PolarHBondContact O-N 2.94Å; L125-V132 HydrophobicContact CD2-CG2 4.16Å; L125-T147 HydrophobicContact CB-CG2 4.15Å
126Q92.1Very high90.5Very high150 Ų15058 Ų5870%0.70132%0.324SS*.Hα-helixtrans-80.3-12.8176.6-69172.2-2.400114.1S122 I124S122-Q126 VanDerWaalsContact O-CB 3.23Å; S122-Q126 WeakPolarHBondContact O-CB 3.42Å; S122-Q126 WeakPolarHBondContact O-CG 3.2Å; S122-Q126 PolarHBondContact O-N 3.36Å; I124-Q126 VanDerWaalsContact C-N 3.34Å; I124-Q126 PolarHBondContact O-N 2.86Å
127S93.5Very high91.5Very high102 Ų10255.9 Ų55.971%0.71332%0.316SS*.Hα-helixtrans-99-13.4178.1-550000113.3H123 I124H123-S127 VanDerWaalsContact O-CB 3.26Å; H123-S127 WeakPolarHBondContact O-CB 3.43Å; H123-S127 PolarHBondContact O-N 2.9Å; H123-S127 VanDerWaalsContact O-N 3.16Å; H123-S127 PolarHBondContact O-OG 2.89Å; I124-S127 PolarHBondContact O-N 3.15Å; I124-S127 VanDerWaalsContact O-N 3.16Å
128L93.4Very high92.3Very high53 Ų5354 Ų5428%0.27731%0.307SS..SBendtrans-85.9125.2173.7-69.7169.9000109.8I124 G130 V132 V284I124-L128 HydrophobicContact CG2-CD1 4.06Å; I124-L128 WeakPolarHBondContact O-CG 3.5Å; I124-L128 PolarHBondContact O-N 2.81Å; L128-G130 PolarHBondContact O-N 3.48Å; L128-V132 HydrophobicContact CD1-CG2 3.47Å; L128-V132 VanDerWaalsContact CD1-CG2 3.47Å; L128-V284 HydrophobicContact CD2-CG1 4.28Å
129D90.1Very high93.2Very high107 Ų10750.4 Ų50.457%0.57228%0.277SS*.SBendtrans-79.267.8170-167.221.1000110.6Y151 H286D129-Y151 WeakPolarHBondContact CA-OH 3.49Å; D129-Y151 VanDerWaalsContact OD1-CE1 3.29Å; D129-Y151 WeakPolarHBondContact OD1-CE1 3.28Å; D129-Y151 PolarHBondContact OD1-OH 2.85Å; D129-H286 PolarHBondContact O-ND1 3.25Å
130G94.4Very high93.8Very high0 Ų049.5 Ų49.50%027%0.272CS..SBendtrans167.6-155.8-176.400000114.3L128 T147 Y151 A285L128-G130 PolarHBondContact O-N 3.48Å; G130-T147 PolarHBondContact O-OG1 3.26Å; G130-Y151 VanDerWaalsContact CA-CE2 3.46Å; G130-Y151 VanDerWaalsContact N-CZ 3.27Å; G130-Y151 PolarHBondContact N-OH 2.91Å; G130-Y151 VanDerWaalsContact N-OH 3.15Å; G130-Y151 VanDerWaalsContact O-CE2 3.22Å; G130-Y151 WeakPolarHBondContact O-CE2 3.42Å; G130-A285 CarbonylContact C-O 3.5Å; G130-A285 VanDerWaalsContact CA-O 3.27Å; G130-A285 WeakPolarHBondContact CA-O 3.22Å
131F97.8Very high94.4Very high0 Ų045.5 Ų45.50%025%0.251CS..EExtended strand (participates in β ladder)trans-136.1148.8178.458.2-83.3000111.7F133 I144 S145 T147 V148 Y151 L152 M237 I256 A285F131-F133 AromaticContact CD2-CD1 3.92Å; F131-F133 HydrophobicContact CD2-CD1 3.92Å; F131-F133 HydrophobicContact CD2-CE1 4.46Å; F131-F133 AromaticContact CE2-CD1 3.75Å; F131-F133 HydrophobicContact CE2-CD1 3.75Å; F131-F133 AromaticContact CE2-CE1 3.89Å; F131-F133 HydrophobicContact CE2-CE1 3.89Å; F131-I144 HydrophobicContact CD2-CD1 3.75Å; F131-I144 HydrophobicContact CD2-CG1 4.12Å; F131-I144 HydrophobicContact CE2-CD1 3.95Å; F131-S145 WeakPolarHBondContact CA-OG 3.38Å; F131-S145 WeakPolarHBondContact CB-OG 3.3Å; F131-T147 WeakPolarHBondContact CA-OG1 3.44Å; F131-T147 WeakPolarHBondContact CB-OG1 3.32Å; F131-V148 HydrophobicContact CB-CB 4.02Å; F131-V148 HydrophobicContact CD1-CB 4.48Å; F131-V148 HydrophobicContact CD1-CG2 4.27Å; F131-V148 HydrophobicContact CD2-CB 4.03Å; F131-V148 HydrophobicContact CD2-CG2 3.81Å; F131-V148 HydrophobicContact CE1-CG2 4.39Å; F131-V148 HydrophobicContact CE2-CG2 3.93Å; F131-V148 HydrophobicContact CG-CB 3.94Å; F131-V148 HydrophobicContact CG-CG2 3.99Å; F131-V148 HydrophobicContact CZ-CG2 4.23Å; F131-Y151 HydrophobicContact CD1-CD2 4.21Å; F131-Y151 HydrophobicContact CD1-CG 4.36Å; F131-L152 HydrophobicContact CE1-CD1 4.28Å; F131-L152 HydrophobicContact CE1-CG 4.42Å; F131-L152 HydrophobicContact CZ-CD1 3.9Å; F131-M237 HydrophobicContact CE2-SD 4.45Å; F131-M237 HydrophobicContact CZ-SD 4.12Å; F131-I256 HydrophobicContact CE1-CD1 4.06Å; F131-I256 HydrophobicContact CZ-CD1 4.24Å; F131-I256 HydrophobicContact CZ-CG1 4.39Å; F131-I256 HydrophobicContact CZ-CG2 4.16Å; F131-A285 HydrophobicContact CD1-CB 4.36Å; F131-A285 HydrophobicContact CD2-CB 3.98Å; F131-A285 HydrophobicContact CE1-CB 4.06Å; F131-A285 HydrophobicContact CE2-CB 3.66Å; F131-A285 HydrophobicContact CG-CB 4.32Å; F131-A285 HydrophobicContact CZ-CB 3.7Å; F131-A285 PolarHBondContact N-O 2.79Å; F131-A285 PolarHBondContact O-N 2.8Å
132V98.3Very high94.9Very high31 Ų3143.6 Ų43.619%0.18823%0.23CC..EExtended strand (participates in β ladder)trans-106.5135.9-177.3-178.20000108.5L125 L128 Y143 I144 S145 V283 V284L125-V132 HydrophobicContact CD2-CG2 4.16Å; L128-V132 HydrophobicContact CD1-CG2 3.47Å; L128-V132 VanDerWaalsContact CD1-CG2 3.47Å; V132-Y143 HydrophobicContact CB-CE1 4.49Å; V132-Y143 HydrophobicContact CG1-CE1 4.46Å; V132-I144 CarbonylContact O-C 3.56Å; V132-I144 VanDerWaalsContact O-CA 3.31Å; V132-I144 WeakPolarHBondContact O-CA 3.49Å; V132-S145 PolarHBondContact N-OG 2.65Å; V132-S145 PolarHBondContact O-N 2.9Å; V132-V283 WeakPolarHBondContact CA-O 3.31Å; V132-V283 WeakPolarHBondContact CG1-O 3.49Å; V132-V284 HydrophobicContact CG2-CG2 4.42Å
133F98.3Very high95.4Very high1 Ų144.6 Ų44.60%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-143.1158.117366-103.7000114F131 L135 F141 Y143 I144 I258 V283 A285F131-F133 AromaticContact CD2-CD1 3.92Å; F131-F133 HydrophobicContact CD2-CD1 3.92Å; F131-F133 HydrophobicContact CD2-CE1 4.46Å; F131-F133 AromaticContact CE2-CD1 3.75Å; F131-F133 HydrophobicContact CE2-CD1 3.75Å; F131-F133 AromaticContact CE2-CE1 3.89Å; F131-F133 HydrophobicContact CE2-CE1 3.89Å; F133-L135 HydrophobicContact CD2-CD1 4.45Å; F133-L135 HydrophobicContact CD2-CD2 3.95Å; F133-L135 HydrophobicContact CD2-CG 3.81Å; F133-L135 HydrophobicContact CE2-CD1 3.87Å; F133-L135 HydrophobicContact CE2-CD2 4.1Å; F133-L135 HydrophobicContact CE2-CG 3.73Å; F133-F141 HydrophobicContact CB-CD1 4.16Å; F133-F141 HydrophobicContact CB-CE1 4.27Å; F133-F141 HydrophobicContact CD1-CE1 4.4Å; F133-F141 HydrophobicContact CD2-CD1 4.3Å; F133-F141 HydrophobicContact CD2-CE1 4.04Å; F133-F141 HydrophobicContact CE2-CE1 4.42Å; F133-F141 HydrophobicContact CG-CD1 4.33Å; F133-F141 HydrophobicContact CG-CE1 4.02Å; F133-Y143 CarbonylContact C-O 3.49Å; F133-Y143 VanDerWaalsContact CA-O 3.26Å; F133-Y143 WeakPolarHBondContact CA-O 3.19Å; F133-Y143 VanDerWaalsContact CB-O 3.3Å; F133-Y143 WeakPolarHBondContact CB-O 3.32Å; F133-I144 HydrophobicContact CB-CB 3.94Å; F133-I144 HydrophobicContact CB-CD1 3.92Å; F133-I144 HydrophobicContact CB-CG1 3.88Å; F133-I144 HydrophobicContact CD1-CD1 4.18Å; F133-I144 HydrophobicContact CG-CD1 4.38Å; F133-I258 HydrophobicContact CZ-CD1 3.84Å; F133-I258 HydrophobicContact CZ-CG1 4.26Å; F133-V283 HydrophobicContact CD1-CB 4.23Å; F133-V283 HydrophobicContact CD1-CG1 4.13Å; F133-V283 HydrophobicContact CD2-CB 3.92Å; F133-V283 HydrophobicContact CD2-CG2 4.11Å; F133-V283 HydrophobicContact CE1-CB 4.05Å; F133-V283 HydrophobicContact CE1-CG1 3.64Å; F133-V283 HydrophobicContact CE2-CB 3.7Å; F133-V283 HydrophobicContact CE2-CG1 4.09Å; F133-V283 HydrophobicContact CE2-CG2 3.55Å; F133-V283 HydrophobicContact CG-CB 4.19Å; F133-V283 HydrophobicContact CZ-CB 3.79Å; F133-V283 HydrophobicContact CZ-CG1 3.62Å; F133-V283 HydrophobicContact CZ-CG2 3.85Å; F133-V283 PolarHBondContact N-O 2.93Å; F133-V283 PolarHBondContact O-N 3Å; F133-A285 HydrophobicContact CD1-CB 4.14Å; F133-A285 HydrophobicContact CE1-CB 3.69Å
134A98.2Very high95.7Very high2 Ų240.7 Ų40.72%0.01721%0.207CC..EExtended strand (participates in β ladder)trans-125.5121171.900000109.1M73 F76 L142 Y143 L281M73-A134 HydrophobicContact CE-CB 4.4Å; M73-A134 HydrophobicContact SD-CB 4.2Å; F76-A134 HydrophobicContact CE1-CB 4.33Å; A134-L142 PolarHBondContact O-N 2.96Å; A134-Y143 PolarHBondContact N-O 2.82Å; A134-Y143 PolarHBondContact O-N 2.85Å; A134-L281 CarbonylContact C-O 3.53Å; A134-L281 WeakPolarHBondContact CA-O 3.42Å
135L98.1Very high96Very high0 Ų036.6 Ų36.60%019%0.186CC..EExtended strand (participates in β ladder)trans-96.6151.2169.6-55.4-178.8000109.5F133 K140 F141 V164 M176 L180 G280 L281F133-L135 HydrophobicContact CD2-CD1 4.45Å; F133-L135 HydrophobicContact CD2-CD2 3.95Å; F133-L135 HydrophobicContact CD2-CG 3.81Å; F133-L135 HydrophobicContact CE2-CD1 3.87Å; F133-L135 HydrophobicContact CE2-CD2 4.1Å; F133-L135 HydrophobicContact CE2-CG 3.73Å; L135-K140 WeakPolarHBondContact CA-O 3.48Å; L135-F141 HydrophobicContact CD2-CB 4.45Å; L135-F141 HydrophobicContact CD2-CD1 3.42Å; L135-F141 VanDerWaalsContact CD2-CD1 3.42Å; L135-F141 HydrophobicContact CD2-CE1 3.68Å; L135-F141 HydrophobicContact CD2-CG 3.87Å; L135-F141 HydrophobicContact CD2-CZ 4.34Å; L135-V164 HydrophobicContact CD1-CB 4.05Å; L135-V164 HydrophobicContact CD1-CG1 4.09Å; L135-V164 HydrophobicContact CD1-CG2 4.1Å; L135-V164 HydrophobicContact CD2-CB 4.16Å; L135-M176 HydrophobicContact CD1-CE 3.48Å; L135-M176 VanDerWaalsContact CD1-CE 3.48Å; L135-L180 HydrophobicContact CB-CD2 4.42Å; L135-L180 HydrophobicContact CD1-CD1 4.35Å; L135-L180 HydrophobicContact CD1-CD2 4.1Å; L135-G280 CarbonylContact O-C 3.11Å; L135-G280 VanDerWaalsContact O-CA 3.3Å; L135-G280 WeakPolarHBondContact O-CA 3.1Å; L135-L281 HydrophobicContact CB-CB 4.39Å; L135-L281 PolarHBondContact N-O 3Å; L135-L281 PolarHBondContact O-N 2.78Å
136N95.2Very high96Very high3 Ų340.8 Ų40.82%0.01621%0.205CC..  trans-88.2-179.2163.574.1-12.6000112.1K72 E138 G139 K140 L142 M279 G280K72-N136 PolarHBondContact NZ-ND2 2.95Å; N136-E138 PolarHBondContact ND2-OE1 2.86Å; N136-E138 PolarHBondContact ND2-OE2 3.03Å; N136-E138 PolarHBondContact O-N 3.05Å; N136-E138 VanDerWaalsContact O-N 3.13Å; N136-E138 WeakPolarHBondContact OD1-CA 3.16Å; N136-E138 WeakPolarHBondContact OD1-CB 3.43Å; N136-E138 PolarHBondContact OD1-N 2.87Å; N136-E138 VanDerWaalsContact OD1-N 3.1Å; N136-G139 PolarHBondContact O-N 3.24Å; N136-G139 PolarHBondContact OD1-N 3.2Å; N136-K140 PolarHBondContact N-O 3.04Å; N136-K140 VanDerWaalsContact N-O 3.08Å; N136-K140 PolarHBondContact OD1-N 3Å; N136-K140 PolarHBondContact OD1-O 3.03Å; N136-L142 HydrophobicContact CB-CD1 3.9Å; N136-L142 HydrophobicContact CB-CD2 3.99Å; N136-L142 HydrophobicContact CB-CG 3.91Å; N136-M279 CarbonylContact C-O 3.59Å; N136-M279 VanDerWaalsContact CA-O 3.28Å; N136-M279 WeakPolarHBondContact CA-O 3.34Å; N136-G280 VanDerWaalsContact C-CA 3.48Å
137Q91.9Very high96.3Very high78 Ų7834.2 Ų34.236%0.36418%0.175SC..THydrogen-bonded Turntrans-61.4-14.9175.769.8-80.2-600114.9G139 M182 M279Q137-G139 VanDerWaalsContact C-N 3.35Å; Q137-M182 WeakPolarHBondContact O-CE 3.27Å; Q137-M279 PolarHBondContact N-O 2.86Å; Q137-M279 PolarHBondContact OE1-O 2.8Å
138E94.1Very high96.4Very high47 Ų4729.3 Ų29.322%0.2214%0.141CC..THydrogen-bonded Turntrans-92.76.6173.5-57.2120.8-131.500112.2K72 N136 K140 M182 P214K72-E138 IonicContact NZ-OE1 2.72Å; K72-E138 IonicContact NZ-OE2 2.61Å; K72-E138 PolarHBondContact NZ-OE2 3.23Å; N136-E138 PolarHBondContact ND2-OE1 2.86Å; N136-E138 PolarHBondContact ND2-OE2 3.03Å; N136-E138 PolarHBondContact O-N 3.05Å; N136-E138 VanDerWaalsContact O-N 3.13Å; N136-E138 WeakPolarHBondContact OD1-CA 3.16Å; N136-E138 WeakPolarHBondContact OD1-CB 3.43Å; N136-E138 PolarHBondContact OD1-N 2.87Å; N136-E138 VanDerWaalsContact OD1-N 3.1Å; E138-K140 HydrophobicContact CB-CG 4.22Å; E138-K140 PolarHBondContact O-N 3.29Å; E138-M182 VanDerWaalsContact C-CE 3.41Å; E138-P214 HydrophobicContact CB-CG 4.46Å; E138-P214 HydrophobicContact CG-CG 4.1Å
139G95.9Very high96.5Very high0 Ų029.5 Ų29.50%015%0.147CC..SBendtrans70.214.1-177.100000114.3N136 Q137 V164N136-G139 PolarHBondContact O-N 3.24Å; N136-G139 PolarHBondContact OD1-N 3.2Å; Q137-G139 VanDerWaalsContact C-N 3.35Å; G139-V164 VanDerWaalsContact O-CB 3.26Å; G139-V164 WeakPolarHBondContact O-CB 3.36Å; G139-V164 VanDerWaalsContact O-CG1 3.25Å; G139-V164 WeakPolarHBondContact O-CG1 3.44Å; G139-V164 PolarHBondContact O-N 2.96Å
140K98.1Very high96.6Very high90 Ų9029.8 Ų29.839%0.39115%0.147SC..BIsolated β-bridgetrans-89.9137.7-179.5-57.2-167.7-179-168.50111.3L135 N136 E138 L142 S162L135-K140 WeakPolarHBondContact CA-O 3.48Å; N136-K140 PolarHBondContact N-O 3.04Å; N136-K140 VanDerWaalsContact N-O 3.08Å; N136-K140 PolarHBondContact OD1-N 3Å; N136-K140 PolarHBondContact OD1-O 3.03Å; E138-K140 HydrophobicContact CB-CG 4.22Å; E138-K140 PolarHBondContact O-N 3.29Å; K140-L142 PolarHBondContact O-N 3.03Å; K140-S162 VanDerWaalsContact CA-O 3.29Å; K140-S162 WeakPolarHBondContact CA-O 3.42Å
141F98.6Very high96.4Very high0 Ų031.7 Ų31.70%016%0.155CC..EExtended strand (participates in β ladder)trans-65.5105.5178.1-67.1-77.8000110.9F133 L135 I144 L159 G161 S162 V164 Y167 M237F133-F141 HydrophobicContact CB-CD1 4.16Å; F133-F141 HydrophobicContact CB-CE1 4.27Å; F133-F141 HydrophobicContact CD1-CE1 4.4Å; F133-F141 HydrophobicContact CD2-CD1 4.3Å; F133-F141 HydrophobicContact CD2-CE1 4.04Å; F133-F141 HydrophobicContact CE2-CE1 4.42Å; F133-F141 HydrophobicContact CG-CD1 4.33Å; F133-F141 HydrophobicContact CG-CE1 4.02Å; L135-F141 HydrophobicContact CD2-CB 4.45Å; L135-F141 HydrophobicContact CD2-CD1 3.42Å; L135-F141 VanDerWaalsContact CD2-CD1 3.42Å; L135-F141 HydrophobicContact CD2-CE1 3.68Å; L135-F141 HydrophobicContact CD2-CG 3.87Å; L135-F141 HydrophobicContact CD2-CZ 4.34Å; F141-I144 HydrophobicContact CD1-CB 4.36Å; F141-I144 HydrophobicContact CD1-CD1 4.13Å; F141-I144 HydrophobicContact CE1-CD1 3.82Å; F141-I144 HydrophobicContact CZ-CD1 4.48Å; F141-L159 HydrophobicContact CD2-CB 4.39Å; F141-L159 HydrophobicContact CD2-CD2 4.32Å; F141-L159 WeakPolarHBondContact CD2-O 3.19Å; F141-L159 HydrophobicContact CE2-CD2 3.76Å; F141-L159 HydrophobicContact CZ-CD2 4.17Å; F141-G161 WeakPolarHBondContact O-CA 3.17Å; F141-G161 PolarHBondContact O-N 2.87Å; F141-S162 PolarHBondContact N-O 3.1Å; F141-S162 VanDerWaalsContact N-O 3.1Å; F141-V164 HydrophobicContact CE2-CB 4.24Å; F141-V164 HydrophobicContact CE2-CG2 4.41Å; F141-V164 HydrophobicContact CZ-CB 4.21Å; F141-V164 HydrophobicContact CZ-CG2 3.93Å; F141-Y167 HydrophobicContact CE2-CD2 4.23Å; F141-M237 HydrophobicContact CZ-CE 4.17Å
142L98Very high96.2Very high8 Ų831.7 Ų31.74%0.04216%0.155CC..EExtended strand (participates in β ladder)trans-73.6-35.4168.3-62.2-170.9000111.1K72 M73 F76 A134 N136 K140K72-L142 HydrophobicContact CB-CD2 3.55Å; K72-L142 HydrophobicContact CD-CD2 4.08Å; K72-L142 HydrophobicContact CG-CD2 4.47Å; M73-L142 HydrophobicContact CB-CB 4Å; M73-L142 HydrophobicContact CG-CB 4.39Å; M73-L142 HydrophobicContact SD-CB 3.72Å; F76-L142 HydrophobicContact CB-CD1 3.56Å; F76-L142 HydrophobicContact CD1-CD1 4.32Å; F76-L142 HydrophobicContact CD2-CD1 3.72Å; F76-L142 HydrophobicContact CE2-CD1 4.46Å; F76-L142 HydrophobicContact CG-CD1 3.64Å; A134-L142 PolarHBondContact O-N 2.96Å; N136-L142 HydrophobicContact CB-CD1 3.9Å; N136-L142 HydrophobicContact CB-CD2 3.99Å; N136-L142 HydrophobicContact CB-CG 3.91Å; K140-L142 PolarHBondContact O-N 3.03Å
143Y98.2Very high96Very high74 Ų7431.5 Ų31.529%0.2916%0.159SC..EExtended strand (participates in β ladder)trans-151.7147175.6169.5-94000110M73 V132 F133 A134M73-Y143 HydrophobicContact CE-CD1 4.38Å; M73-Y143 HydrophobicContact CE-CD2 4.49Å; M73-Y143 HydrophobicContact CE-CG 3.85Å; V132-Y143 HydrophobicContact CB-CE1 4.49Å; V132-Y143 HydrophobicContact CG1-CE1 4.46Å; F133-Y143 CarbonylContact C-O 3.49Å; F133-Y143 VanDerWaalsContact CA-O 3.26Å; F133-Y143 WeakPolarHBondContact CA-O 3.19Å; F133-Y143 VanDerWaalsContact CB-O 3.3Å; F133-Y143 WeakPolarHBondContact CB-O 3.32Å; A134-Y143 PolarHBondContact N-O 2.82Å; A134-Y143 PolarHBondContact O-N 2.85Å
144I98.4Very high95.8Very high0 Ų031.9 Ų31.90%016%0.161CC..EExtended strand (participates in β ladder)trans-143.4146.3162.2-173.4149.2000108.6F131 V132 F133 F141 V148 Q156 L159F131-I144 HydrophobicContact CD2-CD1 3.75Å; F131-I144 HydrophobicContact CD2-CG1 4.12Å; F131-I144 HydrophobicContact CE2-CD1 3.95Å; V132-I144 CarbonylContact O-C 3.56Å; V132-I144 VanDerWaalsContact O-CA 3.31Å; V132-I144 WeakPolarHBondContact O-CA 3.49Å; F133-I144 HydrophobicContact CB-CB 3.94Å; F133-I144 HydrophobicContact CB-CD1 3.92Å; F133-I144 HydrophobicContact CB-CG1 3.88Å; F133-I144 HydrophobicContact CD1-CD1 4.18Å; F133-I144 HydrophobicContact CG-CD1 4.38Å; F141-I144 HydrophobicContact CD1-CB 4.36Å; F141-I144 HydrophobicContact CD1-CD1 4.13Å; F141-I144 HydrophobicContact CE1-CD1 3.82Å; F141-I144 HydrophobicContact CZ-CD1 4.48Å; I144-V148 HydrophobicContact CD1-CB 4.13Å; I144-V148 HydrophobicContact CD1-CG1 4.39Å; I144-V148 HydrophobicContact CD1-CG2 3.92Å; I144-V148 HydrophobicContact CG1-CB 4.07Å; I144-V148 HydrophobicContact CG1-CG1 4.15Å; I144-V148 HydrophobicContact CG1-CG2 4.42Å; I144-Q156 HydrophobicContact CG2-CB 4.46Å; I144-Q156 HydrophobicContact CG2-CG 4.12Å; I144-Q156 WeakPolarHBondContact O-CG 3.46Å; I144-Q156 PolarHBondContact O-NE2 3.41Å; I144-L159 HydrophobicContact CD1-CD1 4.17Å; I144-L159 HydrophobicContact CG2-CB 3.9Å; I144-L159 HydrophobicContact CG2-CD1 4.48Å
145S98.1Very high95.8Very high0 Ų034.4 Ų34.40%018%0.179CC..  trans-73.8148.3178.761.30000112.1F131 V132 T147 V148F131-S145 WeakPolarHBondContact CA-OG 3.38Å; F131-S145 WeakPolarHBondContact CB-OG 3.3Å; V132-S145 PolarHBondContact N-OG 2.65Å; V132-S145 PolarHBondContact O-N 2.9Å; S145-T147 PolarHBondContact O-N 3.2Å; S145-T147 VanDerWaalsContact O-N 3.11Å; S145-T147 PolarHBondContact OG-OG1 2.86Å; S145-V148 VanDerWaalsContact O-CG1 3.29Å; S145-V148 WeakPolarHBondContact O-CG1 3.33Å; S145-V148 PolarHBondContact O-N 3.15Å; S145-V148 VanDerWaalsContact O-N 3.13Å
146E96.3Very high95.7Very high110 Ų11036.2 Ų36.251%0.51419%0.187SC..THydrogen-bonded Turntrans-56.8-25.9176.664-168.716800113.3V148 S149E146-V148 PolarHBondContact O-N 3.02Å; E146-V148 VanDerWaalsContact O-N 3.12Å; E146-S149 WeakPolarHBondContact O-CB 3.36Å; E146-S149 PolarHBondContact O-N 3.46Å; E146-S149 VanDerWaalsContact O-N 3.16Å; E146-S149 PolarHBondContact O-OG 2.91Å
147T96.8Very high95.8Very high12 Ų1237.2 Ų37.27%0.07419%0.193CC..THydrogen-bonded Turntrans-60.5-18.5177600000114L125 G130 F131 S145 S149 I150 Y151L125-T147 HydrophobicContact CB-CG2 4.15Å; G130-T147 PolarHBondContact O-OG1 3.26Å; F131-T147 WeakPolarHBondContact CA-OG1 3.44Å; F131-T147 WeakPolarHBondContact CB-OG1 3.32Å; S145-T147 PolarHBondContact O-N 3.2Å; S145-T147 VanDerWaalsContact O-N 3.11Å; S145-T147 PolarHBondContact OG-OG1 2.86Å; T147-S149 PolarHBondContact O-N 3Å; T147-S149 VanDerWaalsContact O-N 3.07Å; T147-I150 HydrophobicContact CG2-CD1 4.25Å; T147-I150 VanDerWaalsContact O-CB 3.31Å; T147-I150 WeakPolarHBondContact O-CB 3.46Å; T147-I150 PolarHBondContact O-N 2.8Å; T147-Y151 VanDerWaalsContact O-CD2 3.27Å; T147-Y151 WeakPolarHBondContact O-CD2 3.3Å
148V96.8Very high96.1Very high0 Ų037.3 Ų37.30%019%0.194CC..Hα-helixtrans-54.6-28.917371.10000112.6F131 I144 S145 E146 I150 Y151 L152 L159F131-V148 HydrophobicContact CB-CB 4.02Å; F131-V148 HydrophobicContact CD1-CB 4.48Å; F131-V148 HydrophobicContact CD1-CG2 4.27Å; F131-V148 HydrophobicContact CD2-CB 4.03Å; F131-V148 HydrophobicContact CD2-CG2 3.81Å; F131-V148 HydrophobicContact CE1-CG2 4.39Å; F131-V148 HydrophobicContact CE2-CG2 3.93Å; F131-V148 HydrophobicContact CG-CB 3.94Å; F131-V148 HydrophobicContact CG-CG2 3.99Å; F131-V148 HydrophobicContact CZ-CG2 4.23Å; I144-V148 HydrophobicContact CD1-CB 4.13Å; I144-V148 HydrophobicContact CD1-CG1 4.39Å; I144-V148 HydrophobicContact CD1-CG2 3.92Å; I144-V148 HydrophobicContact CG1-CB 4.07Å; I144-V148 HydrophobicContact CG1-CG1 4.15Å; I144-V148 HydrophobicContact CG1-CG2 4.42Å; S145-V148 VanDerWaalsContact O-CG1 3.29Å; S145-V148 WeakPolarHBondContact O-CG1 3.33Å; S145-V148 PolarHBondContact O-N 3.15Å; S145-V148 VanDerWaalsContact O-N 3.13Å; E146-V148 PolarHBondContact O-N 3.02Å; E146-V148 VanDerWaalsContact O-N 3.12Å; V148-I150 VanDerWaalsContact C-N 3.29Å; V148-I150 PolarHBondContact O-N 2.82Å; V148-Y151 PolarHBondContact O-N 2.97Å; V148-L152 HydrophobicContact CG2-CB 4.34Å; V148-L152 HydrophobicContact CG2-CD1 3.98Å; V148-L152 HydrophobicContact CG2-CG 4.42Å; V148-L152 PolarHBondContact O-N 3.4Å; V148-L159 HydrophobicContact CB-CD1 4.5Å; V148-L159 HydrophobicContact CG1-CD1 3.79Å; V148-L159 HydrophobicContact CG2-CD1 3.91Å
149S94.8Very high96.3Very high57 Ų5735.1 Ų35.140%0.39918%0.184SC..Hα-helixtrans-63.7-30.8174.662.20000113.5E146 T147 G153 L154E146-S149 WeakPolarHBondContact O-CB 3.36Å; E146-S149 PolarHBondContact O-N 3.46Å; E146-S149 VanDerWaalsContact O-N 3.16Å; E146-S149 PolarHBondContact O-OG 2.91Å; T147-S149 PolarHBondContact O-N 3Å; T147-S149 VanDerWaalsContact O-N 3.07Å; S149-G153 WeakPolarHBondContact O-CA 3.4Å; S149-G153 PolarHBondContact O-N 2.89Å; S149-L154 VanDerWaalsContact CA-O 3.28Å; S149-L154 WeakPolarHBondContact CA-O 3.46Å; S149-L154 WeakPolarHBondContact CB-O 3.38Å; S149-L154 PolarHBondContact N-O 3.13Å
150I92.3Very high96.4Very high112 Ų11235.8 Ų35.857%0.57419%0.188SC*.Hα-helixtrans-71.8-39.2177.1-53.1172000110.3T147 V148 L241T147-I150 HydrophobicContact CG2-CD1 4.25Å; T147-I150 VanDerWaalsContact O-CB 3.31Å; T147-I150 WeakPolarHBondContact O-CB 3.46Å; T147-I150 PolarHBondContact O-N 2.8Å; V148-I150 VanDerWaalsContact C-N 3.29Å; V148-I150 PolarHBondContact O-N 2.82Å; I150-L241 WeakPolarHBondContact O-CD1 3.46Å
151Y91.6Very high96.4Very high40 Ų4032.3 Ų32.316%0.15718%0.177CC..Hα-helixtrans-93-32.8-171.4-65.7-76.6000114.3D129 G130 F131 T147 V148 L241 K254 A287D129-Y151 WeakPolarHBondContact CA-OH 3.49Å; D129-Y151 VanDerWaalsContact OD1-CE1 3.29Å; D129-Y151 WeakPolarHBondContact OD1-CE1 3.28Å; D129-Y151 PolarHBondContact OD1-OH 2.85Å; G130-Y151 VanDerWaalsContact CA-CE2 3.46Å; G130-Y151 VanDerWaalsContact N-CZ 3.27Å; G130-Y151 PolarHBondContact N-OH 2.91Å; G130-Y151 VanDerWaalsContact N-OH 3.15Å; G130-Y151 VanDerWaalsContact O-CE2 3.22Å; G130-Y151 WeakPolarHBondContact O-CE2 3.42Å; F131-Y151 HydrophobicContact CD1-CD2 4.21Å; F131-Y151 HydrophobicContact CD1-CG 4.36Å; T147-Y151 VanDerWaalsContact O-CD2 3.27Å; T147-Y151 WeakPolarHBondContact O-CD2 3.3Å; V148-Y151 PolarHBondContact O-N 2.97Å; Y151-L241 WeakPolarHBondContact O-CD1 3.39Å; Y151-K254 WeakPolarHBondContact O-CD 3.23Å; Y151-K254 WeakPolarHBondContact O-CE 3.44Å; Y151-K254 PolarHBondContact O-NZ 2.9Å; Y151-A287 HydrophobicContact CD1-CB 3.93Å; Y151-A287 HydrophobicContact CG-CB 4.27Å
152L93.1Very high96.4Very high0 Ų033.2 Ų33.20%018%0.184CC..Hα-helixtrans-121.4-15.8-178.7-67-179.8000114F131 V148 L154 M237 K238 S239 T240 K254 I256F131-L152 HydrophobicContact CE1-CD1 4.28Å; F131-L152 HydrophobicContact CE1-CG 4.42Å; F131-L152 HydrophobicContact CZ-CD1 3.9Å; V148-L152 HydrophobicContact CG2-CB 4.34Å; V148-L152 HydrophobicContact CG2-CD1 3.98Å; V148-L152 HydrophobicContact CG2-CG 4.42Å; V148-L152 PolarHBondContact O-N 3.4Å; L152-L154 HydrophobicContact CB-CB 4.46Å; L152-L154 HydrophobicContact CB-CD1 4.25Å; L152-L154 HydrophobicContact CB-CG 4.14Å; L152-L154 HydrophobicContact CD1-CD1 4.27Å; L152-L154 PolarHBondContact O-N 2.82Å; L152-M237 HydrophobicContact CD1-CB 3.89Å; L152-M237 HydrophobicContact CD1-CE 4.27Å; L152-M237 HydrophobicContact CD1-SD 4.26Å; L152-M237 HydrophobicContact CD2-CB 4.34Å; L152-K238 WeakPolarHBondContact CD2-O 3.35Å; L152-S239 CarbonylContact O-C 3.59Å; L152-S239 VanDerWaalsContact O-CA 3.27Å; L152-S239 WeakPolarHBondContact O-CA 3.46Å; L152-T240 PolarHBondContact O-N 2.86Å; L152-T240 PolarHBondContact O-OG1 2.92Å; L152-K254 HydrophobicContact CD2-CB 4.15Å; L152-K254 HydrophobicContact CD2-CD 4.29Å; L152-I256 HydrophobicContact CD2-CD1 4.01Å
153G93.4Very high96.4Very high27 Ų2733.6 Ų33.628%0.27819%0.187SC..  trans73.28-174.700000114.4S149 T240S149-G153 WeakPolarHBondContact O-CA 3.4Å; S149-G153 PolarHBondContact O-N 2.89Å; G153-T240 VanDerWaalsContact CA-OG1 3.27Å; G153-T240 WeakPolarHBondContact CA-OG1 3.17Å; G153-T240 PolarHBondContact O-OG1 2.79Å
154L95.1Very high96.4Very high9 Ų930.1 Ų30.15%0.04717%0.173CC..  trans-88.2151.8175.7-62.7177.1000110.9S149 L152 L159 Y167 K238 T240S149-L154 VanDerWaalsContact CA-O 3.28Å; S149-L154 WeakPolarHBondContact CA-O 3.46Å; S149-L154 WeakPolarHBondContact CB-O 3.38Å; S149-L154 PolarHBondContact N-O 3.13Å; L152-L154 HydrophobicContact CB-CB 4.46Å; L152-L154 HydrophobicContact CB-CD1 4.25Å; L152-L154 HydrophobicContact CB-CG 4.14Å; L152-L154 HydrophobicContact CD1-CD1 4.27Å; L152-L154 PolarHBondContact O-N 2.82Å; L154-L159 HydrophobicContact CB-CD1 3.7Å; L154-L159 HydrophobicContact CB-CG 4.35Å; L154-L159 HydrophobicContact CD1-CD1 4.29Å; L154-L159 HydrophobicContact CD1-CD2 4.24Å; L154-Y167 HydrophobicContact CD1-CD1 3.62Å; L154-Y167 HydrophobicContact CD1-CE1 4.08Å; L154-Y167 HydrophobicContact CD2-CE1 4.36Å; L154-K238 HydrophobicContact CD1-CB 4.48Å; L154-K238 WeakPolarHBondContact CD1-O 3.35Å; L154-T240 HydrophobicContact CD2-CG2 3.85Å
155S96.5Very high96.3Very high55 Ų5530.5 Ų30.539%0.38518%0.175SC..  trans-90.9138.2-179.4178.80000112.4V157 E158 L159S155-V157 PolarHBondContact O-N 3.34Å; S155-V157 PolarHBondContact OG-N 3.13Å; S155-E158 WeakPolarHBondContact O-CB 3.06Å; S155-E158 PolarHBondContact O-N 2.94Å; S155-L159 PolarHBondContact O-N 3Å
156Q97.6Very high96.3Very high39 Ų3933.9 Ų33.918%0.18219%0.193CC..Hα-helixtrans-52.8-39.1169.4177.2-171.856.500111.9I144 E158 L159 T160I144-Q156 HydrophobicContact CG2-CB 4.46Å; I144-Q156 HydrophobicContact CG2-CG 4.12Å; I144-Q156 WeakPolarHBondContact O-CG 3.46Å; I144-Q156 PolarHBondContact O-NE2 3.41Å; Q156-E158 VanDerWaalsContact C-N 3.29Å; Q156-E158 PolarHBondContact O-N 3.1Å; Q156-L159 PolarHBondContact O-N 2.88Å; Q156-T160 VanDerWaalsContact O-CB 3.27Å; Q156-T160 WeakPolarHBondContact O-CB 3.43Å; Q156-T160 PolarHBondContact O-N 2.91Å; Q156-T160 PolarHBondContact O-OG1 3.01Å
157V97.4Very high96.4Very high23 Ų2329.7 Ų29.714%0.13917%0.173CC..Hα-helixtrans-68.1-29.8178.6166.80000112L50 I54 L58 R65 L66 S155L50-V157 HydrophobicContact CD1-CG2 4.08Å; I54-V157 HydrophobicContact CG2-CG2 3.91Å; L58-V157 HydrophobicContact CD2-CG1 3.52Å; L58-V157 HydrophobicContact CD2-CG2 4.48Å; R65-V157 PolarHBondContact NH1-O 3.15Å; R65-V157 PolarHBondContact NH2-O 3.08Å; L66-V157 HydrophobicContact CD1-CG1 4.33Å; S155-V157 PolarHBondContact O-N 3.34Å; S155-V157 PolarHBondContact OG-N 3.13Å
158E96.6Very high96.4Very high81 Ų8129.2 Ų29.238%0.37917%0.17SC..Hα-helixtrans-79.4-40.8177.4-164.8-152.113600111.2R65 S155 Q156 S162 Y167R65-E158 PolarHBondContact NH1-O 2.92Å; S155-E158 WeakPolarHBondContact O-CB 3.06Å; S155-E158 PolarHBondContact O-N 2.94Å; Q156-E158 VanDerWaalsContact C-N 3.29Å; Q156-E158 PolarHBondContact O-N 3.1Å; E158-S162 PolarHBondContact O-OG 3.26Å; E158-Y167 VanDerWaalsContact OE1-CE1 3.23Å; E158-Y167 WeakPolarHBondContact OE1-CE1 3.27Å; E158-Y167 PolarHBondContact OE1-OH 3.09Å
159L98.1Very high96.4Very high1 Ų131.8 Ų31.81%0.00518%0.182CC..Hα-helixtrans-76.5-40.3-177.8-74.6158.5000113.8F141 I144 V148 L154 S155 Q156 G161 S162 Y167F141-L159 HydrophobicContact CD2-CB 4.39Å; F141-L159 HydrophobicContact CD2-CD2 4.32Å; F141-L159 WeakPolarHBondContact CD2-O 3.19Å; F141-L159 HydrophobicContact CE2-CD2 3.76Å; F141-L159 HydrophobicContact CZ-CD2 4.17Å; I144-L159 HydrophobicContact CD1-CD1 4.17Å; I144-L159 HydrophobicContact CG2-CB 3.9Å; I144-L159 HydrophobicContact CG2-CD1 4.48Å; V148-L159 HydrophobicContact CB-CD1 4.5Å; V148-L159 HydrophobicContact CG1-CD1 3.79Å; V148-L159 HydrophobicContact CG2-CD1 3.91Å; L154-L159 HydrophobicContact CB-CD1 3.7Å; L154-L159 HydrophobicContact CB-CG 4.35Å; L154-L159 HydrophobicContact CD1-CD1 4.29Å; L154-L159 HydrophobicContact CD1-CD2 4.24Å; S155-L159 PolarHBondContact O-N 3Å; Q156-L159 PolarHBondContact O-N 2.88Å; L159-G161 PolarHBondContact O-N 2.87Å; L159-S162 WeakPolarHBondContact O-CB 3.36Å; L159-S162 PolarHBondContact O-N 3.12Å; L159-Y167 HydrophobicContact CD2-CD1 3.69Å; L159-Y167 HydrophobicContact CD2-CD2 3.58Å; L159-Y167 HydrophobicContact CD2-CE1 3.79Å; L159-Y167 HydrophobicContact CD2-CE2 3.71Å; L159-Y167 HydrophobicContact CD2-CG 3.58Å; L159-Y167 HydrophobicContact CG-CE1 4.48Å
160T98.5Very high96.4Very high14 Ų1432.8 Ų32.89%0.08619%0.187CC..THydrogen-bonded Turntrans-64.2119.3-172.3-58.20000111.8R65 L66 Q156R65-T160 PolarHBondContact NH1-O 3.48Å; L66-T160 HydrophobicContact CD2-CG2 3.82Å; Q156-T160 VanDerWaalsContact O-CB 3.27Å; Q156-T160 WeakPolarHBondContact O-CB 3.43Å; Q156-T160 PolarHBondContact O-N 2.91Å; Q156-T160 PolarHBondContact O-OG1 3.01Å
161G97.7Very high96.5Very high17 Ų1730.3 Ų30.318%0.17519%0.189CC..THydrogen-bonded Turntrans88.7-7.4-176.400000115.8S69 F141 L159S69-G161 WeakPolarHBondContact OG-CA 3.45Å; S69-G161 PolarHBondContact OG-N 2.97Å; F141-G161 WeakPolarHBondContact O-CA 3.17Å; F141-G161 PolarHBondContact O-N 2.87Å; L159-G161 PolarHBondContact O-N 2.87Å
162S98.3Very high96.7Very high19 Ų1928.5 Ų28.513%0.13318%0.182CC..SBendtrans-83.2166.8173.4-51.60000110.9R65 K140 F141 E158 L159R65-S162 PolarHBondContact NH1-OG 2.9Å; K140-S162 VanDerWaalsContact CA-O 3.29Å; K140-S162 WeakPolarHBondContact CA-O 3.42Å; F141-S162 PolarHBondContact N-O 3.1Å; F141-S162 VanDerWaalsContact N-O 3.1Å; E158-S162 PolarHBondContact O-OG 3.26Å; L159-S162 WeakPolarHBondContact O-CB 3.36Å; L159-S162 PolarHBondContact O-N 3.12Å
163S98.1Very high96.9Very high16 Ų1629.8 Ų29.811%0.11219%0.188CC..BIsolated β-bridgetrans-79.1142.9177.4-166.40000110.6F165 D166 Y167S163-F165 PolarHBondContact O-N 2.85Å; S163-D166 WeakPolarHBondContact CA-OD2 3.18Å; S163-D166 WeakPolarHBondContact CB-OD2 3.25Å; S163-D166 PolarHBondContact N-OD2 3.1Å; S163-D166 WeakPolarHBondContact O-CB 3.47Å; S163-D166 PolarHBondContact O-N 3.39Å; S163-Y167 WeakPolarHBondContact O-CD2 3.5Å
164V98.3Very high97Very high0 Ų032.9 Ų32.90%020%0.201CC..G310 helixtrans-60-38171.969.50000111L135 G139 F141 D166 Y167 V168 M176 L180L135-V164 HydrophobicContact CD1-CB 4.05Å; L135-V164 HydrophobicContact CD1-CG1 4.09Å; L135-V164 HydrophobicContact CD1-CG2 4.1Å; L135-V164 HydrophobicContact CD2-CB 4.16Å; G139-V164 VanDerWaalsContact O-CB 3.26Å; G139-V164 WeakPolarHBondContact O-CB 3.36Å; G139-V164 VanDerWaalsContact O-CG1 3.25Å; G139-V164 WeakPolarHBondContact O-CG1 3.44Å; G139-V164 PolarHBondContact O-N 2.96Å; F141-V164 HydrophobicContact CE2-CB 4.24Å; F141-V164 HydrophobicContact CE2-CG2 4.41Å; F141-V164 HydrophobicContact CZ-CB 4.21Å; F141-V164 HydrophobicContact CZ-CG2 3.93Å; V164-D166 PolarHBondContact O-N 3.05Å; V164-Y167 PolarHBondContact O-N 3Å; V164-V168 HydrophobicContact CG2-CG2 3.8Å; V164-V168 WeakPolarHBondContact O-CG2 3.36Å; V164-V168 PolarHBondContact O-N 2.98Å; V164-V168 VanDerWaalsContact O-N 3.08Å; V164-M176 HydrophobicContact CG1-CE 4.19Å; V164-M176 HydrophobicContact CG1-CG 4.19Å; V164-M176 HydrophobicContact CG2-CE 4.1Å; V164-M176 HydrophobicContact CG2-SD 4.48Å; V164-L180 HydrophobicContact CG1-CD1 4.37Å
165F98Very high97Very high8 Ų834.7 Ų34.74%0.03521%0.209CC..G310 helixtrans-62.4-25.3-179.9-58.4-74.1000113.3S163 Y167 H173 M176 A177 L180 M182 T211 P212S163-F165 PolarHBondContact O-N 2.85Å; F165-Y167 PolarHBondContact O-N 2.92Å; F165-H173 HydrophobicContact CD1-CB 4.08Å; F165-H173 AromaticContact CD1-CG 3.84Å; F165-H173 HydrophobicContact CE1-CB 4.42Å; F165-H173 WeakPolarHBondContact CE1-O 3.47Å; F165-H173 PolarHBondContact O-CE1 3.48Å; F165-H173 VanDerWaalsContact O-CE1 3.26Å; F165-H173 PolarHBondContact O-NE2 3.16Å; F165-M176 HydrophobicContact CE1-CB 3.95Å; F165-M176 HydrophobicContact CE1-CG 3.95Å; F165-M176 HydrophobicContact CZ-CG 4.37Å; F165-A177 HydrophobicContact CE1-CB 4.25Å; F165-A177 HydrophobicContact CZ-CB 4.09Å; F165-L180 HydrophobicContact CE2-CD1 4.5Å; F165-L180 HydrophobicContact CZ-CD1 4.16Å; F165-M182 HydrophobicContact CE2-CE 4.09Å; F165-M182 HydrophobicContact CE2-SD 3.88Å; F165-M182 HydrophobicContact CZ-CE 4.46Å; F165-M182 HydrophobicContact CZ-SD 3.75Å; F165-T211 HydrophobicContact CB-CG2 4.33Å; F165-P212 HydrophobicContact CD1-CG 4.15Å; F165-P212 HydrophobicContact CD2-CG 4.12Å; F165-P212 HydrophobicContact CE1-CG 3.87Å; F165-P212 HydrophobicContact CE2-CG 3.85Å; F165-P212 HydrophobicContact CG-CG 4.27Å; F165-P212 HydrophobicContact CZ-CG 3.73Å
166D97.7Very high96.9Very high71 Ų7132.1 Ų32.138%0.3819%0.191SC..G310 helixtrans-63.8-22.3173.8-55.6-32.3000111.9S163 V164 K238S163-D166 WeakPolarHBondContact CA-OD2 3.18Å; S163-D166 WeakPolarHBondContact CB-OD2 3.25Å; S163-D166 PolarHBondContact N-OD2 3.1Å; S163-D166 WeakPolarHBondContact O-CB 3.47Å; S163-D166 PolarHBondContact O-N 3.39Å; V164-D166 PolarHBondContact O-N 3.05Å; D166-K238 WeakPolarHBondContact O-CE 3.36Å; D166-K238 PolarHBondContact O-NZ 2.93Å
167Y97.7Very high96.8Very high23 Ų2330.2 Ų30.29%0.0918%0.182CC..THydrogen-bonded Turntrans-117.2-11.3-173.7-64.5-84.7000114.3F141 L154 E158 L159 S163 V164 F165 M237 K238F141-Y167 HydrophobicContact CE2-CD2 4.23Å; L154-Y167 HydrophobicContact CD1-CD1 3.62Å; L154-Y167 HydrophobicContact CD1-CE1 4.08Å; L154-Y167 HydrophobicContact CD2-CE1 4.36Å; E158-Y167 VanDerWaalsContact OE1-CE1 3.23Å; E158-Y167 WeakPolarHBondContact OE1-CE1 3.27Å; E158-Y167 PolarHBondContact OE1-OH 3.09Å; L159-Y167 HydrophobicContact CD2-CD1 3.69Å; L159-Y167 HydrophobicContact CD2-CD2 3.58Å; L159-Y167 HydrophobicContact CD2-CE1 3.79Å; L159-Y167 HydrophobicContact CD2-CE2 3.71Å; L159-Y167 HydrophobicContact CD2-CG 3.58Å; L159-Y167 HydrophobicContact CG-CE1 4.48Å; S163-Y167 WeakPolarHBondContact O-CD2 3.5Å; V164-Y167 PolarHBondContact O-N 3Å; F165-Y167 PolarHBondContact O-N 2.92Å; Y167-M237 CarbonylContact O-C 3.56Å; Y167-M237 WeakPolarHBondContact O-CA 3.39Å; Y167-K238 PolarHBondContact O-N 2.96Å
168V97.8Very high96.5Very high2 Ų235.7 Ų35.71%0.01221%0.207CC..BIsolated β-bridgetrans-90.8146.5175-179.70000110.4V164 D172 H173 I235 R236 M237V164-V168 HydrophobicContact CG2-CG2 3.8Å; V164-V168 WeakPolarHBondContact O-CG2 3.36Å; V164-V168 PolarHBondContact O-N 2.98Å; V164-V168 VanDerWaalsContact O-N 3.08Å; V168-D172 HydrophobicContact CG1-CB 3.87Å; V168-H173 PolarHBondContact O-NE2 2.83Å; V168-I235 HydrophobicContact CG1-CB 4.27Å; V168-I235 HydrophobicContact CG1-CD1 4.31Å; V168-I235 HydrophobicContact CG2-CD1 3.68Å; V168-R236 WeakPolarHBondContact CA-O 3.22Å; V168-M237 HydrophobicContact CG2-CG 4.36Å
169H96.1Very high96.4Very high53 Ų5334 Ų3425%0.24520%0.198CC..  trans-61.3132.8174.8-177.8-101.3000110.8G171 D172 H173 R236 Y253H169-G171 PolarHBondContact ND1-N 2.83Å; H169-G171 PolarHBondContact O-N 3.13Å; H169-G171 VanDerWaalsContact O-N 3.09Å; H169-D172 PolarHBondContact O-N 3.15Å; H169-H173 PolarHBondContact O-CD2 3.27Å; H169-R236 HydrophobicContact CB-CB 3.67Å; H169-R236 WeakPolarHBondContact CB-O 3.29Å; H169-R236 PolarHBondContact N-O 2.81Å; H169-Y253 HydrophobicContact CB-CD1 3.86Å; H169-Y253 HydrophobicContact CB-CE1 3.71Å; H169-Y253 HydrophobicContact CB-CG 4.48Å; H169-Y253 AromaticContact CD2-CE2 3.81Å; H169-Y253 AromaticContact CD2-CZ 3.93Å
170P95.3Very high96.1Very high79 Ų7934.1 Ų34.151%0.51320%0.199SC..G310 helixtrans-54.1-34.8-175.4-30.436.8000115D172 H173P170-D172 PolarHBondContact O-N 3.05Å; P170-D172 VanDerWaalsContact O-N 3.15Å; P170-H173 WeakPolarHBondContact O-CB 3.2Å; P170-H173 PolarHBondContact O-N 2.89Å
171G93.9Very high95.6Very high59 Ų5935.3 Ų35.361%0.60822%0.215SC*.G310 helixtrans-64.6-13.4175.900000115.1H169H169-G171 PolarHBondContact ND1-N 2.83Å; H169-G171 PolarHBondContact O-N 3.13Å; H169-G171 VanDerWaalsContact O-N 3.09Å
172D96.4Very high95Very high3 Ų335.9 Ų35.92%0.01621%0.213CC..G310 helixtrans-109.12.3-179.3-49.8-15.8000111.6V168 H169 P170 M176 I235 R236V168-D172 HydrophobicContact CG1-CB 3.87Å; H169-D172 PolarHBondContact O-N 3.15Å; P170-D172 PolarHBondContact O-N 3.05Å; P170-D172 VanDerWaalsContact O-N 3.15Å; D172-M176 WeakPolarHBondContact O-CB 3.25Å; D172-M176 PolarHBondContact O-N 2.95Å; D172-I235 HydrophobicContact CB-CB 4.43Å; D172-I235 HydrophobicContact CB-CG2 4.28Å; D172-R236 IonicContact OD1-CZ 2.83Å; D172-R236 VanDerWaalsContact OD1-CZ 3.3Å; D172-R236 IonicContact OD1-NE 2.72Å; D172-R236 PolarHBondContact OD1-NE 2.74Å; D172-R236 IonicContact OD1-NH2 2.72Å; D172-R236 PolarHBondContact OD1-NH2 2.74Å; D172-R236 WeakPolarHBondContact OD2-CB 3.43Å; D172-R236 WeakPolarHBondContact OD2-CG 3.42Å; D172-R236 IonicContact OD2-CZ 3.41Å; D172-R236 PolarHBondContact OD2-N 3.26Å; D172-R236 IonicContact OD2-NE 3.57Å; D172-R236 PolarHBondContact OD2-NE 2.85Å; D172-R236 IonicContact OD2-NH2 3.46Å
173H96.3Very high93.6Very high26 Ų2641.3 Ų41.312%0.1223%0.234CC..Hα-helixtrans-66.3-38.1-176.9-76.3-166.4000112.8F165 V168 H169 P170 M176 A177F165-H173 HydrophobicContact CD1-CB 4.08Å; F165-H173 AromaticContact CD1-CG 3.84Å; F165-H173 HydrophobicContact CE1-CB 4.42Å; F165-H173 WeakPolarHBondContact CE1-O 3.47Å; F165-H173 PolarHBondContact O-CE1 3.48Å; F165-H173 VanDerWaalsContact O-CE1 3.26Å; F165-H173 PolarHBondContact O-NE2 3.16Å; V168-H173 PolarHBondContact O-NE2 2.83Å; H169-H173 PolarHBondContact O-CD2 3.27Å; P170-H173 WeakPolarHBondContact O-CB 3.2Å; P170-H173 PolarHBondContact O-N 2.89Å; H173-M176 PolarHBondContact O-N 2.76Å; H173-A177 WeakPolarHBondContact O-CB 3.26Å; H173-A177 PolarHBondContact O-N 3.22Å
174V95.4Very high91.8Very high93 Ų9343.8 Ų43.856%0.56425%0.246SC*.Hα-helixtrans-62.6-49178.1171.50000110.6A177 E178 L184V174-A177 PolarHBondContact O-N 3.31Å; V174-E178 PolarHBondContact O-N 3.01Å; V174-L184 HydrophobicContact CB-CD1 4.28Å; V174-L184 HydrophobicContact CG1-CD1 3.79Å; V174-L184 HydrophobicContact CG2-CD1 4.3Å
175E94.9Very high89.3Confident47 Ų4748.1 Ų48.122%0.2227%0.274CS..Hα-helixtrans-60.9-47.5176.5-176.8-178.1151.200111.3A177 E178 Q179 F233 K358E175-A177 VanDerWaalsContact C-N 3.28Å; E175-A177 PolarHBondContact O-N 3.15Å; E175-E178 PolarHBondContact O-N 3.01Å; E175-Q179 HydrophobicContact CG-CG 4.32Å; E175-Q179 WeakPolarHBondContact O-CB 3.46Å; E175-Q179 WeakPolarHBondContact O-CG 3.29Å; E175-Q179 PolarHBondContact O-N 2.96Å; E175-F233 HydrophobicContact CG-CD2 4.46Å; E175-K358 IonicContact OE1-NZ 3.54Å; E175-K358 PolarHBondContact OE1-NZ 3.22Å; E175-K358 WeakPolarHBondContact OE2-CE 3.47Å; E175-K358 IonicContact OE2-NZ 3.95Å; E175-K358 PolarHBondContact OE2-NZ 3.08Å
176M95.5Very high86.5Confident0 Ų054.5 Ų54.50%032%0.316CS..Hα-helixtrans-59.6-38177.7-173.471.1-14900112.5L135 V164 F165 D172 H173 L180 F233 I235 I258 L281L135-M176 HydrophobicContact CD1-CE 3.48Å; L135-M176 VanDerWaalsContact CD1-CE 3.48Å; V164-M176 HydrophobicContact CG1-CE 4.19Å; V164-M176 HydrophobicContact CG1-CG 4.19Å; V164-M176 HydrophobicContact CG2-CE 4.1Å; V164-M176 HydrophobicContact CG2-SD 4.48Å; F165-M176 HydrophobicContact CE1-CB 3.95Å; F165-M176 HydrophobicContact CE1-CG 3.95Å; F165-M176 HydrophobicContact CZ-CG 4.37Å; D172-M176 WeakPolarHBondContact O-CB 3.25Å; D172-M176 PolarHBondContact O-N 2.95Å; H173-M176 PolarHBondContact O-N 2.76Å; M176-L180 HydrophobicContact CE-CD1 3.78Å; M176-L180 HydrophobicContact CE-CG 4.03Å; M176-L180 HydrophobicContact CG-CD1 4.33Å; M176-L180 WeakPolarHBondContact O-CB 3.34Å; M176-L180 WeakPolarHBondContact O-CD1 3.39Å; M176-L180 WeakPolarHBondContact O-CG 3.35Å; M176-L180 PolarHBondContact O-N 2.74Å; M176-L180 VanDerWaalsContact O-N 3.15Å; M176-F233 HydrophobicContact CE-CZ 4.24Å; M176-F233 HydrophobicContact SD-CE2 3.7Å; M176-F233 HydrophobicContact SD-CZ 3.77Å; M176-I235 HydrophobicContact SD-CD1 3.92Å; M176-I235 HydrophobicContact SD-CG2 4.46Å; M176-I258 HydrophobicContact SD-CD1 4.27Å; M176-L281 HydrophobicContact CE-CD2 4.26Å
177A94.2Very high83.9Confident0 Ų054.4 Ų54.40%033%0.332CS..Hα-helixtrans-69.2-43.3176.700000112.3F165 H173 V174 E175 L180 G181 M182 L184F165-A177 HydrophobicContact CE1-CB 4.25Å; F165-A177 HydrophobicContact CZ-CB 4.09Å; H173-A177 WeakPolarHBondContact O-CB 3.26Å; H173-A177 PolarHBondContact O-N 3.22Å; V174-A177 PolarHBondContact O-N 3.31Å; E175-A177 VanDerWaalsContact C-N 3.28Å; E175-A177 PolarHBondContact O-N 3.15Å; A177-L180 PolarHBondContact O-N 2.91Å; A177-G181 PolarHBondContact O-N 3.29Å; A177-M182 HydrophobicContact CB-CB 4.15Å; A177-M182 HydrophobicContact CB-SD 4.2Å; A177-M182 WeakPolarHBondContact O-CB 3.09Å; A177-M182 PolarHBondContact O-N 2.97Å; A177-L184 HydrophobicContact CB-CD1 4.39Å; A177-L184 HydrophobicContact CB-CD2 3.84Å; A177-L184 HydrophobicContact CB-CG 4.17Å
178E92.4Very high81.3Confident138 Ų13865.3 Ų65.365%0.64537%0.373SS*.Hα-helixtrans-60.5-46.8174.9-175-178.1171.800111.6V174 E175 L180 G181V174-E178 PolarHBondContact O-N 3.01Å; E175-E178 PolarHBondContact O-N 3.01Å; E178-L180 PolarHBondContact O-N 3.49Å; E178-G181 WeakPolarHBondContact O-CA 3.48Å; E178-G181 PolarHBondContact O-N 3.14Å
179Q93.1Very high78.3Confident44 Ų4468.7 Ų68.721%0.20641%0.408CS..Hα-helixtrans-63.5-29178.2-62.8-77.3-13.200112E175 G181 R231 F233E175-Q179 HydrophobicContact CG-CG 4.32Å; E175-Q179 WeakPolarHBondContact O-CB 3.46Å; E175-Q179 WeakPolarHBondContact O-CG 3.29Å; E175-Q179 PolarHBondContact O-N 2.96Å; Q179-G181 VanDerWaalsContact C-N 3.33Å; Q179-R231 WeakPolarHBondContact O-CD 3.43Å; Q179-R231 PolarHBondContact O-NE 2.93Å; Q179-F233 HydrophobicContact CB-CD1 4.07Å; Q179-F233 HydrophobicContact CB-CE1 3.6Å; Q179-F233 HydrophobicContact CB-CE2 4.1Å; Q179-F233 HydrophobicContact CB-CZ 3.62Å; Q179-F233 HydrophobicContact CG-CB 4.45Å; Q179-F233 HydrophobicContact CG-CD1 3.71Å; Q179-F233 HydrophobicContact CG-CD2 3.86Å; Q179-F233 HydrophobicContact CG-CE1 3.77Å; Q179-F233 HydrophobicContact CG-CE2 3.92Å; Q179-F233 HydrophobicContact CG-CG 3.77Å; Q179-F233 HydrophobicContact CG-CZ 3.88Å
180L91.7Very high75.6Confident4 Ų473.8 Ų73.82%0.02144%0.436CS..Hα-helixtrans-77.6-11.8170.9-79.9164.3000114.2L135 V164 F165 M176 A177 E178 M182 L281L135-L180 HydrophobicContact CB-CD2 4.42Å; L135-L180 HydrophobicContact CD1-CD1 4.35Å; L135-L180 HydrophobicContact CD1-CD2 4.1Å; V164-L180 HydrophobicContact CG1-CD1 4.37Å; F165-L180 HydrophobicContact CE2-CD1 4.5Å; F165-L180 HydrophobicContact CZ-CD1 4.16Å; M176-L180 HydrophobicContact CE-CD1 3.78Å; M176-L180 HydrophobicContact CE-CG 4.03Å; M176-L180 HydrophobicContact CG-CD1 4.33Å; M176-L180 WeakPolarHBondContact O-CB 3.34Å; M176-L180 WeakPolarHBondContact O-CD1 3.39Å; M176-L180 WeakPolarHBondContact O-CG 3.35Å; M176-L180 PolarHBondContact O-N 2.74Å; M176-L180 VanDerWaalsContact O-N 3.15Å; A177-L180 PolarHBondContact O-N 2.91Å; E178-L180 PolarHBondContact O-N 3.49Å; L180-M182 HydrophobicContact CB-CE 4.36Å; L180-M182 HydrophobicContact CB-CG 3.98Å; L180-M182 HydrophobicContact CB-SD 4.16Å; L180-M182 HydrophobicContact CD1-CE 3.86Å; L180-M182 HydrophobicContact CD1-SD 4.05Å; L180-L281 HydrophobicContact CD2-CB 3.78Å; L180-L281 HydrophobicContact CD2-CD2 4.37Å
181G87.9Confident72.7Confident40 Ų4078.5 Ų78.541%0.41246%0.456SS..THydrogen-bonded Turntrans76.121.7-173.800000113.9A177 E178 Q179A177-G181 PolarHBondContact O-N 3.29Å; E178-G181 WeakPolarHBondContact O-CA 3.48Å; E178-G181 PolarHBondContact O-N 3.14Å; Q179-G181 VanDerWaalsContact C-N 3.33Å
182M86.5Confident69.7Low28 Ų2881 Ų8114%0.13847%0.465CS..  trans-76.4129.6177.2-65.7172.7164.300110.6Q137 E138 F165 A177 L180 L184Q137-M182 WeakPolarHBondContact O-CE 3.27Å; E138-M182 VanDerWaalsContact C-CE 3.41Å; F165-M182 HydrophobicContact CE2-CE 4.09Å; F165-M182 HydrophobicContact CE2-SD 3.88Å; F165-M182 HydrophobicContact CZ-CE 4.46Å; F165-M182 HydrophobicContact CZ-SD 3.75Å; A177-M182 HydrophobicContact CB-CB 4.15Å; A177-M182 HydrophobicContact CB-SD 4.2Å; A177-M182 WeakPolarHBondContact O-CB 3.09Å; A177-M182 PolarHBondContact O-N 2.97Å; L180-M182 HydrophobicContact CB-CE 4.36Å; L180-M182 HydrophobicContact CB-CG 3.98Å; L180-M182 HydrophobicContact CB-SD 4.16Å; L180-M182 HydrophobicContact CD1-CE 3.86Å; L180-M182 HydrophobicContact CD1-SD 4.05Å; M182-L184 PolarHBondContact O-N 3.19Å; M182-L184 VanDerWaalsContact O-N 3.14Å
183K68.1Low66.7Low134 Ų13489.6 Ų89.658%0.58351%0.505SS*.  trans-75.2100.3169.6-70.9-178.3179.1175.40109.2
184L60Low63.4Low67 Ų6791.9 Ų91.935%0.35154%0.535SS..  trans-61.9144.4166.1-66.7170.9000109.8V174 A177 M182 P212V174-L184 HydrophobicContact CB-CD1 4.28Å; V174-L184 HydrophobicContact CG1-CD1 3.79Å; V174-L184 HydrophobicContact CG2-CD1 4.3Å; A177-L184 HydrophobicContact CB-CD1 4.39Å; A177-L184 HydrophobicContact CB-CD2 3.84Å; A177-L184 HydrophobicContact CB-CG 4.17Å; M182-L184 PolarHBondContact O-N 3.19Å; M182-L184 VanDerWaalsContact O-N 3.14Å; L184-P212 HydrophobicContact CD2-CB 3.81Å
185P47.3Very low60.4Low92 Ų9293.9 Ų93.960%0.59755%0.547SS*.  trans-57.4134.4172.5-24.734.6000111.2G187P185-G187 VanDerWaalsContact C-N 3.35Å; P185-G187 PolarHBondContact O-N 3.02Å
186P38Very low57.3Low142 Ų14296.5 Ų96.592%0.92258%0.577SS**SBendtrans-7385.7-178.929.8-34.8000110.6
187G44.3Very low54.5Low68 Ų68105.6 Ų105.670%0.70162%0.62SS**  trans18024.4-174.200000119.3P185P185-G187 VanDerWaalsContact C-N 3.35Å; P185-G187 PolarHBondContact O-N 3.02Å
188R42.5Very low51.6Low252 Ų252114 Ų11495%0.95167%0.665SS**  trans-154.854.1169.7-124.3172.6-162.5-96.80.8115.6
189G33.8Very low48.7Very low73 Ų73111.1 Ų111.175%0.75367%0.672SS**  trans-81.7137.4165.200000111.8
190L40.4Very low46Very low161 Ų161113.8 Ų113.884%0.84370%0.702SS**  trans48.8102.4159.6-163.273.3000118.5
191L34.2Very low43.3Very low178 Ų178119.8 Ų119.893%0.93274%0.744SS**  trans-127.4129.9141.3-82.2180000109.2
192S31.8Very low40.9Very low112 Ų112123.8 Ų123.878%0.78377%0.766SS**  trans-80.7167.2177.6-164.90000111.5G194S192-G194 PolarHBondContact O-N 2.92Å
193Q32.6Very low38.4Very low183 Ų183127.2 Ų127.286%0.85580%0.798SS**  trans-78.3116.7-176.6-175.1170.5-12.700111.2
194G27.6Very low36.8Very low73 Ų73126.8 Ų126.875%0.75381%0.812SS**  trans-118.1135.7171.500000111.1S192S192-G194 PolarHBondContact O-N 2.92Å
195T32.1Very low35.3Very low135 Ų135129.5 Ų129.583%0.82884%0.837SS**  trans-102.4124.4-175.5480000112.4
196A29.6Very low34.6Very low103 Ų103129.8 Ų129.885%0.85184%0.841SS**  trans-154.3149.7157.800000108.8
197E35.8Very low34.4Very low191 Ų191129.1 Ų129.189%0.89384%0.84SS**  trans-112.7172.9180-64.3-169.6123.100112
198D33.8Very low34Very low176 Ų176133.5 Ų133.594%0.94184%0.842SS**  trans74.7150.2171.7-78-25.4000121.2
199G31.4Very low33.8Very low78 Ų78125.9 Ų125.980%0.80483%0.827SS**  trans126.468.417600000115.4
200A36Very low34.1Very low100 Ų100130.9 Ų130.983%0.82683%0.831SS**  trans-76.3133.3-174.300000115.4
201S35.7Very low34.5Very low130 Ų130125.7 Ų125.791%0.90981%0.806SS**  trans-170156.6135.4-85.90000112.3
202S38.2Very low35Very low124 Ų124118.6 Ų118.687%0.86777%0.771SS**  trans-120.9133.3-165.351.30000114.5
203A32.8Very low35.7Very low99 Ų99120.8 Ų120.882%0.81877%0.769SS**  trans-156.1134.1155.400000111.8
204S34.2Very low36.3Very low125 Ų125115.3 Ų115.387%0.87475%0.749SS**  trans-40.8130.4179.151.10000118.4
205S30.3Very low37Very low124 Ų124116.4 Ų116.487%0.86774%0.741SS**  trans-144.9162.8138.872.40000110.4
206S32.3Very low37.5Very low99 Ų99119 Ų11969%0.69274%0.744SS**  trans-83.9129.5-169.953.90000113Q208S206-Q208 PolarHBondContact O-N 3.26Å
207S32.8Very low37.9Very low127 Ų127118.1 Ų118.189%0.88873%0.731SS**  trans-70.287.4171.552.60000112
208Q35.8Very low37.9Very low160 Ų160116.3 Ų116.375%0.74873%0.733SS**  trans-83.1114.8154.7-67.1-171.910.300108S206 E210S206-Q208 PolarHBondContact O-N 3.26Å; Q208-E210 PolarHBondContact O-N 2.87Å
209S37.9Very low38.1Very low93 Ų93111.4 Ų111.465%0.6571%0.713SS**  trans-72.1105.8155.350.90000106.8T211S209-T211 PolarHBondContact O-N 3.05Å
210E41.3Very low38.8Very low177 Ų177111.2 Ų111.283%0.82770%0.697SS**  trans-60.9102.1179.7-67.6-175.413200109.8Q208Q208-E210 PolarHBondContact O-N 2.87Å
211T48.8Very low39.2Very low53 Ų53110.9 Ų110.933%0.32569%0.689SS.*  trans-65.1136.5170.848.50000108.8F165 S209 E213F165-T211 HydrophobicContact CB-CG2 4.33Å; S209-T211 PolarHBondContact O-N 3.05Å; T211-E213 PolarHBondContact O-N 3.09Å
212P45.1Very low39.7Very low29 Ų29111.6 Ų111.619%0.18868%0.682CS.*  trans-64.1102.6178.525.9-33.6000110.3F165 L184F165-P212 HydrophobicContact CD1-CG 4.15Å; F165-P212 HydrophobicContact CD2-CG 4.12Å; F165-P212 HydrophobicContact CE1-CG 3.87Å; F165-P212 HydrophobicContact CE2-CG 3.85Å; F165-P212 HydrophobicContact CG-CG 4.27Å; F165-P212 HydrophobicContact CZ-CG 3.73Å; L184-P212 HydrophobicContact CD2-CB 3.81Å
213E46.6Very low40.3Very low157 Ų157109.5 Ų109.573%0.73466%0.66SS**  trans-70133.2176.8-71.7-116.4118.100110.2T211 V215T211-E213 PolarHBondContact O-N 3.09Å; E213-V215 PolarHBondContact O-N 3.3Å; E213-V215 VanDerWaalsContact O-N 3.11Å
214P44.1Very low40.9Very low68 Ų68109.9 Ų109.944%0.44265%0.653SS.*  trans-72.8106.7-179.328.9-33.4000110.4E138 E216E138-P214 HydrophobicContact CB-CG 4.46Å; E138-P214 HydrophobicContact CG-CG 4.1Å; P214-E216 PolarHBondContact O-N 2.98Å; P214-E216 VanDerWaalsContact O-N 3.11Å
215V43.2Very low41.8Very low96 Ų96108.9 Ų108.958%0.58264%0.642SS**  trans-63112178.7-172.50000110.4E213 S217E213-V215 PolarHBondContact O-N 3.3Å; E213-V215 VanDerWaalsContact O-N 3.11Å; V215-S217 PolarHBondContact O-N 3.18Å; V215-S217 VanDerWaalsContact O-N 3.14Å
216E41.6Very low42.5Very low191 Ų191107.8 Ų107.889%0.89363%0.626SS**  trans-63.3114.5172.4-71-163.3143.400109.9P214P214-E216 PolarHBondContact O-N 2.98Å; P214-E216 VanDerWaalsContact O-N 3.11Å
217S39.2Very low43.4Very low83 Ų83109 Ų10958%0.5862%0.624SS**  trans-153.9123.2177.4-81.20000112V215 S219V215-S217 PolarHBondContact O-N 3.18Å; V215-S217 VanDerWaalsContact O-N 3.14Å; S217-S219 VanDerWaalsContact C-N 3.33Å; S217-S219 PolarHBondContact O-N 3.18Å
218T35.8Very low44.8Very low154 Ų154105 Ų10595%0.94560%0.595SS**SBendtrans-77.572.3-175.245.50000112.7
219S38Very low47.2Very low72 Ų7299 Ų9950%0.50357%0.568SS.*  trans-157.2108.6163.537.70000111.3S217 S221S217-S219 VanDerWaalsContact C-N 3.33Å; S217-S219 PolarHBondContact O-N 3.18Å; S219-S221 PolarHBondContact O-N 3.2Å
220P44.7Very low49.8Very low75 Ų7598.5 Ų98.549%0.48756%0.555SS.*  trans-70.7128.6174.429-32000109.9P275P220-P275 HydrophobicContact CB-CB 4.04Å; P220-P275 HydrophobicContact CG-CB 3.67Å; P220-P275 HydrophobicContact CG-CG 4.1Å
221S45.5Very low52.3Low92 Ų9291.8 Ų91.864%0.64352%0.522SS*.  trans-72.8137171.9-153.90000109.7S219 L223S219-S221 PolarHBondContact O-N 3.2Å; S221-L223 PolarHBondContact O-N 3.02Å
222L45.4Very low54.5Low146 Ų14693.2 Ų93.276%0.76453%0.534SS*.  trans-79.287.8-176.6-67.1174.2000110.8P275L222-P275 HydrophobicContact CD2-CB 4.45Å; L222-P275 HydrophobicContact CD2-CG 4.31Å
223L51.6Low56.9Low79 Ų7992 Ų9241%0.41453%0.526SS..  trans-75.2125.7168.4-63-178.6000110.1S221 L229 I278S221-L223 PolarHBondContact O-N 3.02Å; L223-L229 HydrophobicContact CD1-CD2 4.36Å; L223-I278 HydrophobicContact CD1-CD1 4.45Å
224T45.1Very low59.3Low108 Ų10885 Ų8566%0.66349%0.494SS*.  trans-76.9135.4179.442.30000111.4T228T224-T228 WeakPolarHBondContact O-CB 3.5Å; T224-T228 WeakPolarHBondContact O-CG2 3.35Å; T224-T228 PolarHBondContact O-OG1 2.72Å
225T52.5Low61.8Low104 Ų10481.8 Ų81.864%0.63847%0.473SS*.THydrogen-bonded Turntrans-68.1-54.1-140.8-43.70000117.2
226D45.2Very low64.3Low100 Ų10080 Ų8054%0.53546%0.455SS..THydrogen-bonded Turntrans-82.3-31.8-156.7-79.234.1000115.1R762D226-R762 IonicContact OD2-CZ 3.68Å; D226-R762 IonicContact OD2-NE 3.3Å; D226-R762 PolarHBondContact OD2-NE 3.03Å; D226-R762 IonicContact OD2-NH2 3.89Å; D226-R762 PolarHBondContact OD2-NH2 3.01Å
227N50.4Low66.9Low124 Ų12470.9 Ų70.966%0.66341%0.413SS*.THydrogen-bonded Turntrans-109.4-12.3-175.3-73-8.5000115.1L229N227-L229 VanDerWaalsContact C-N 3.31Å; N227-L229 PolarHBondContact O-N 2.72Å
228T63.7Low69.5Low44 Ų4470.8 Ų70.827%0.2740%0.402SS..THydrogen-bonded Turntrans-85.52.8-170.564.70000114.9T224 R231T224-T228 WeakPolarHBondContact O-CB 3.5Å; T224-T228 WeakPolarHBondContact O-CG2 3.35Å; T224-T228 PolarHBondContact O-OG1 2.72Å; T228-R231 PolarHBondContact O-NH1 3.19Å; T228-R231 PolarHBondContact O-NH2 2.93Å; T228-R231 VanDerWaalsContact O-NH2 3.08Å
229L86.3Confident72.2Confident35 Ų3564.1 Ų64.118%0.18336%0.362CS..THydrogen-bonded Turntrans-107.4-16.1-173.4-55.5178.5000114.1L223 N227 R261 L262 L264L223-L229 HydrophobicContact CD1-CD2 4.36Å; N227-L229 VanDerWaalsContact C-N 3.31Å; N227-L229 PolarHBondContact O-N 2.72Å; L229-R261 CarbonylContact O-C 3.57Å; L229-R261 WeakPolarHBondContact O-CA 3.42Å; L229-L262 PolarHBondContact O-N 2.89Å; L229-L264 HydrophobicContact CD1-CD1 3.51Å; L229-L264 HydrophobicContact CD1-CG 4.16Å; L229-L264 HydrophobicContact CD2-CD1 3.84Å; L229-L264 HydrophobicContact CD2-CD2 4.35Å; L229-L264 HydrophobicContact CD2-CG 4.16Å; L229-L264 HydrophobicContact CG-CD1 4.33Å
230E91.7Very high74.7Confident82 Ų8264.9 Ų64.938%0.38336%0.364SS..EExtended strand (participates in β ladder)trans-75.1145.8174-53.6-144.8149.800111R261E230-R261 HydrophobicContact CG-CG 4.32Å; E230-R261 IonicContact OE1-CZ 3.18Å; E230-R261 IonicContact OE1-NE 2.72Å; E230-R261 PolarHBondContact OE1-NE 3.49Å; E230-R261 IonicContact OE1-NH2 2.98Å; E230-R261 PolarHBondContact OE1-NH2 3.21Å
231R93.7Very high76.6Confident35 Ų3564.5 Ų64.513%0.13236%0.357CS..EExtended strand (participates in β ladder)trans-134.9122.7-175.6-65.4-71.4177.5-85.84.7109Q179 T228 F233 T259 G260 L281Q179-R231 WeakPolarHBondContact O-CD 3.43Å; Q179-R231 PolarHBondContact O-NE 2.93Å; T228-R231 PolarHBondContact O-NH1 3.19Å; T228-R231 PolarHBondContact O-NH2 2.93Å; T228-R231 VanDerWaalsContact O-NH2 3.08Å; R231-F233 HydrophobicContact CB-CD1 4.3Å; R231-F233 HydrophobicContact CB-CE1 4.13Å; R231-T259 CarbonylContact O-C 3.51Å; R231-T259 WeakPolarHBondContact O-CA 3.47Å; R231-G260 PolarHBondContact N-O 2.82Å; R231-G260 PolarHBondContact O-N 3.37Å; R231-L281 HydrophobicContact CB-CD1 4.07Å; R231-L281 HydrophobicContact CG-CD1 3.68Å
232S94.9Very high77.6Confident83 Ų8365.9 Ų65.958%0.5836%0.361SS*.EExtended strand (participates in β ladder)trans-141.7110.1174.9-174.40000108.1H257 I258S232-H257 PolarHBondContact OG-NE2 3.08Å; S232-I258 VanDerWaalsContact CA-O 3.28Å; S232-I258 WeakPolarHBondContact CA-O 3.3Å
233F95.9Very high78.4Confident5 Ų562.7 Ų62.72%0.02234%0.342CS..EExtended strand (participates in β ladder)trans-159.1165.9-174.364.6-81000111.7E175 M176 Q179 R231 I235 I258E175-F233 HydrophobicContact CG-CD2 4.46Å; M176-F233 HydrophobicContact CE-CZ 4.24Å; M176-F233 HydrophobicContact SD-CE2 3.7Å; M176-F233 HydrophobicContact SD-CZ 3.77Å; Q179-F233 HydrophobicContact CB-CD1 4.07Å; Q179-F233 HydrophobicContact CB-CE1 3.6Å; Q179-F233 HydrophobicContact CB-CE2 4.1Å; Q179-F233 HydrophobicContact CB-CZ 3.62Å; Q179-F233 HydrophobicContact CG-CB 4.45Å; Q179-F233 HydrophobicContact CG-CD1 3.71Å; Q179-F233 HydrophobicContact CG-CD2 3.86Å; Q179-F233 HydrophobicContact CG-CE1 3.77Å; Q179-F233 HydrophobicContact CG-CE2 3.92Å; Q179-F233 HydrophobicContact CG-CG 3.77Å; Q179-F233 HydrophobicContact CG-CZ 3.88Å; R231-F233 HydrophobicContact CB-CD1 4.3Å; R231-F233 HydrophobicContact CB-CE1 4.13Å; F233-I235 HydrophobicContact CD2-CG2 3.72Å; F233-I235 HydrophobicContact CE2-CG2 3.59Å; F233-I258 HydrophobicContact CD1-CB 4.25Å; F233-I258 HydrophobicContact CD1-CG2 3.92Å; F233-I258 HydrophobicContact CE1-CB 4.03Å; F233-I258 HydrophobicContact CE1-CD1 4.45Å; F233-I258 HydrophobicContact CE1-CG2 3.39Å; F233-I258 HydrophobicContact CE2-CB 4.48Å; F233-I258 HydrophobicContact CE2-CD1 3.91Å; F233-I258 HydrophobicContact CZ-CB 4.15Å; F233-I258 HydrophobicContact CZ-CD1 3.74Å; F233-I258 HydrophobicContact CZ-CG2 3.77Å; F233-I258 PolarHBondContact N-O 2.83Å; F233-I258 VanDerWaalsContact N-O 3.11Å; F233-I258 PolarHBondContact O-N 2.91Å
234F96.9Very high78.4Confident10 Ų1070.2 Ų70.24%0.04436%0.364CS..EExtended strand (participates in β ladder)trans-114.4129.8-176.3-59.8-84.4000111.1V255 I256 H257 L288 D354 K358 C361 V362F234-V255 HydrophobicContact CB-CG1 4.23Å; F234-V255 HydrophobicContact CD1-CG1 4.27Å; F234-I256 WeakPolarHBondContact CA-O 3.26Å; F234-H257 HydrophobicContact CD1-CB 3.8Å; F234-H257 AromaticContact CD1-CD2 3.94Å; F234-H257 HydrophobicContact CE1-CB 3.55Å; F234-H257 AromaticContact CE1-CD2 3.46Å; F234-H257 VanDerWaalsContact CE1-CD2 3.46Å; F234-H257 WeakPolarHBondContact CE1-CD2 3.27Å; F234-H257 AromaticContact CE1-CG 3.45Å; F234-H257 VanDerWaalsContact CE1-CG 3.45Å; F234-H257 AromaticContact CZ-CD2 3.65Å; F234-H257 AromaticContact CZ-CG 3.99Å; F234-H257 AromaticContact CZ-NE2 3.98Å; F234-L288 HydrophobicContact CD1-CD1 4.09Å; F234-L288 HydrophobicContact CE1-CD1 4.04Å; F234-D354 HydrophobicContact CD2-CB 4.29Å; F234-D354 WeakPolarHBondContact CD2-OD2 3.44Å; F234-K358 HydrophobicContact CB-CD 3.81Å; F234-K358 WeakPolarHBondContact O-CD 3.2Å; F234-K358 WeakPolarHBondContact O-CE 3.22Å; F234-K358 PolarHBondContact O-NZ 3.02Å; F234-C361 HydrophobicContact CE2-CB 4.41Å; F234-C361 HydrophobicContact CZ-CB 4.44Å; F234-V362 HydrophobicContact CE1-CB 4.24Å; F234-V362 HydrophobicContact CE1-CG2 4.45Å; F234-V362 HydrophobicContact CZ-CB 4.06Å; F234-V362 VanDerWaalsContact CZ-O 3.3Å; F234-V362 WeakPolarHBondContact CZ-O 3.39Å
235I96.7Very high78.5Confident0 Ų069 Ų690%037%0.373CS..EExtended strand (participates in β ladder)trans-131.7156.7173.959.7169.2000111.3V168 D172 M176 F233 M237 I256 I258V168-I235 HydrophobicContact CG1-CB 4.27Å; V168-I235 HydrophobicContact CG1-CD1 4.31Å; V168-I235 HydrophobicContact CG2-CD1 3.68Å; D172-I235 HydrophobicContact CB-CB 4.43Å; D172-I235 HydrophobicContact CB-CG2 4.28Å; M176-I235 HydrophobicContact SD-CD1 3.92Å; M176-I235 HydrophobicContact SD-CG2 4.46Å; F233-I235 HydrophobicContact CD2-CG2 3.72Å; F233-I235 HydrophobicContact CE2-CG2 3.59Å; I235-M237 HydrophobicContact CD1-CG 3.82Å; I235-M237 HydrophobicContact CD1-SD 4.14Å; I235-M237 HydrophobicContact CG1-CG 4.09Å; I235-I256 HydrophobicContact CG1-CB 4.38Å; I235-I256 PolarHBondContact N-O 2.78Å; I235-I256 PolarHBondContact O-N 2.95Å; I235-I258 HydrophobicContact CD1-CD1 3.41Å; I235-I258 VanDerWaalsContact CD1-CD1 3.41Å; I235-I258 HydrophobicContact CD1-CG1 4.4Å; I235-I258 HydrophobicContact CG1-CD1 3.82Å; I235-I258 HydrophobicContact CG1-CG1 4.38Å
236R95.5Very high78Confident57 Ų5765.9 Ų65.922%0.21535%0.354CS..EExtended strand (participates in β ladder)trans-94.9114.8173.5-63.7168.5-77.7-157.4-3.1109.3V168 H169 D172 Y253 K254 V255 N357V168-R236 WeakPolarHBondContact CA-O 3.22Å; H169-R236 HydrophobicContact CB-CB 3.67Å; H169-R236 WeakPolarHBondContact CB-O 3.29Å; H169-R236 PolarHBondContact N-O 2.81Å; D172-R236 IonicContact OD1-CZ 2.83Å; D172-R236 VanDerWaalsContact OD1-CZ 3.3Å; D172-R236 IonicContact OD1-NE 2.72Å; D172-R236 PolarHBondContact OD1-NE 2.74Å; D172-R236 IonicContact OD1-NH2 2.72Å; D172-R236 PolarHBondContact OD1-NH2 2.74Å; D172-R236 WeakPolarHBondContact OD2-CB 3.43Å; D172-R236 WeakPolarHBondContact OD2-CG 3.42Å; D172-R236 IonicContact OD2-CZ 3.41Å; D172-R236 PolarHBondContact OD2-N 3.26Å; D172-R236 IonicContact OD2-NE 3.57Å; D172-R236 PolarHBondContact OD2-NE 2.85Å; D172-R236 IonicContact OD2-NH2 3.46Å; R236-Y253 HydrophobicContact CB-CD1 4.3Å; R236-K254 CarbonylContact C-O 3.53Å; R236-K254 VanDerWaalsContact CA-O 3.29Å; R236-K254 WeakPolarHBondContact CA-O 3.27Å; R236-V255 HydrophobicContact CG-CG2 4.31Å; R236-N357 PolarHBondContact NH1-O 3.49Å
237M96.1Very high77.7Confident0 Ų071 Ų710%037%0.374CS..EExtended strand (participates in β ladder)trans-105.8147.1177.2-65-16872.200112.1F131 F141 L152 Y167 V168 I235 Y253 K254 I256F131-M237 HydrophobicContact CE2-SD 4.45Å; F131-M237 HydrophobicContact CZ-SD 4.12Å; F141-M237 HydrophobicContact CZ-CE 4.17Å; L152-M237 HydrophobicContact CD1-CB 3.89Å; L152-M237 HydrophobicContact CD1-CE 4.27Å; L152-M237 HydrophobicContact CD1-SD 4.26Å; L152-M237 HydrophobicContact CD2-CB 4.34Å; Y167-M237 CarbonylContact O-C 3.56Å; Y167-M237 WeakPolarHBondContact O-CA 3.39Å; V168-M237 HydrophobicContact CG2-CG 4.36Å; I235-M237 HydrophobicContact CD1-CG 3.82Å; I235-M237 HydrophobicContact CD1-SD 4.14Å; I235-M237 HydrophobicContact CG1-CG 4.09Å; M237-Y253 VanDerWaalsContact C-CD1 3.47Å; M237-Y253 CarbonylContact O-C 3.08Å; M237-Y253 VanDerWaalsContact O-CA 3.23Å; M237-Y253 WeakPolarHBondContact O-CA 3.44Å; M237-K254 PolarHBondContact N-O 2.72Å; M237-K254 PolarHBondContact O-N 3.31Å; M237-I256 HydrophobicContact CB-CG1 3.77Å; M237-I256 HydrophobicContact CG-CB 4.27Å; M237-I256 HydrophobicContact CG-CG1 3.71Å; M237-I256 HydrophobicContact SD-CB 4.35Å; M237-I256 HydrophobicContact SD-CG1 3.9Å; M237-I256 HydrophobicContact SD-CG2 4.35Å
238K94.6Very high77.5Confident81 Ų8169 Ų6935%0.35236%0.363SS..EExtended strand (participates in β ladder)trans-58.2136.4178.3-73.3-179.3-174.7168.10111.2L152 L154 D166 Y167 G252 Y253L152-K238 WeakPolarHBondContact CD2-O 3.35Å; L154-K238 HydrophobicContact CD1-CB 4.48Å; L154-K238 WeakPolarHBondContact CD1-O 3.35Å; D166-K238 WeakPolarHBondContact O-CE 3.36Å; D166-K238 PolarHBondContact O-NZ 2.93Å; Y167-K238 PolarHBondContact O-N 2.96Å; K238-G252 CarbonylContact C-O 3.57Å; K238-G252 VanDerWaalsContact CA-O 3.26Å; K238-G252 WeakPolarHBondContact CA-O 3.37Å; K238-Y253 HydrophobicContact CB-CE1 4.41Å; K238-Y253 WeakPolarHBondContact CE-OH 3.26Å; K238-Y253 HydrophobicContact CG-CD1 4.07Å; K238-Y253 HydrophobicContact CG-CE1 3.44Å; K238-Y253 VanDerWaalsContact CG-CE1 3.44Å
239S91.8Very high76.5Confident15 Ų1576.8 Ų76.811%0.10539%0.393CS..  trans-136.1118.2-177.9169.90000110.1L152 G252L152-S239 CarbonylContact O-C 3.59Å; L152-S239 VanDerWaalsContact O-CA 3.27Å; L152-S239 WeakPolarHBondContact O-CA 3.46Å; S239-G252 PolarHBondContact N-O 2.83Å
240T90.3Very high74.9Confident88 Ų8878.5 Ų78.554%0.5441%0.408SS..  trans-84.3-12.4174.956.40000112.7L152 G153 L154 T242L152-T240 PolarHBondContact O-N 2.86Å; L152-T240 PolarHBondContact O-OG1 2.92Å; G153-T240 VanDerWaalsContact CA-OG1 3.27Å; G153-T240 WeakPolarHBondContact CA-OG1 3.17Å; G153-T240 PolarHBondContact O-OG1 2.79Å; L154-T240 HydrophobicContact CD2-CG2 3.85Å; T240-T242 PolarHBondContact O-N 3.1Å
241L84.3Confident73.5Confident66 Ų6679.1 Ų79.135%0.34642%0.421SS..  trans-63.4116.1178.9-61.8173000111.4I150 Y151I150-L241 WeakPolarHBondContact O-CD1 3.46Å; Y151-L241 WeakPolarHBondContact O-CD1 3.39Å
242T66.4Low73.1Confident121 Ų12178.9 Ų78.974%0.74243%0.43SS*.  trans-72129.3173.351.50000110.5T240 R244T240-T242 PolarHBondContact O-N 3.1Å; T242-R244 PolarHBondContact O-N 2.92Å
243K63.8Low72.8Confident80 Ų8077.4 Ų77.435%0.34841%0.412SS..  trans-74.488.4178.9-168.2170.8-176.4-1770110.3G245 V246K243-G245 PolarHBondContact O-N 3.11Å; K243-V246 HydrophobicContact CD-CB 3.86Å; K243-V246 HydrophobicContact CD-CG1 4.44Å; K243-V246 HydrophobicContact CD-CG2 4.31Å; K243-V246 HydrophobicContact CG-CB 4.19Å
244R50Low72.6Confident236 Ų23679.7 Ų79.789%0.89142%0.422SS*.THydrogen-bonded Turntrans-54.1129168.7-63.1-173.9-172.3176.63.7108.7T242T242-R244 PolarHBondContact O-N 2.92Å
245G47.8Very low72.5Confident82 Ų8279.5 Ų79.585%0.84542%0.422SS*.THydrogen-bonded Turntrans91.5-4.7170.300000118K243K243-G245 PolarHBondContact O-N 3.11Å
246V41.8Very low72.4Confident39 Ų3979.5 Ų79.524%0.23642%0.422CS..  trans-134.2117.1175.9179.80000111.8K243 I248 T292K243-V246 HydrophobicContact CD-CB 3.86Å; K243-V246 HydrophobicContact CD-CG1 4.44Å; K243-V246 HydrophobicContact CD-CG2 4.31Å; K243-V246 HydrophobicContact CG-CB 4.19Å; V246-I248 HydrophobicContact CG1-CB 4.27Å; V246-I248 HydrophobicContact CG1-CD1 4Å; V246-I248 HydrophobicContact CG1-CG1 3.93Å; V246-I248 PolarHBondContact O-N 3.46Å; V246-T292 HydrophobicContact CG2-CG2 3.8Å
247H38.3Very low72.5Confident207 Ų20778 Ų7896%0.95842%0.417SS*.  trans-76.255.7178-70.6-81.4000113.4
248I46.1Very low72.5Confident82 Ų8278 Ų7842%0.42142%0.417SS..  trans-116.1128.8166.2-63.6173.7000107.2V246 S250 I386V246-I248 HydrophobicContact CG1-CB 4.27Å; V246-I248 HydrophobicContact CG1-CD1 4Å; V246-I248 HydrophobicContact CG1-CG1 3.93Å; V246-I248 PolarHBondContact O-N 3.46Å; I248-S250 VanDerWaalsContact C-N 3.3Å; I248-S250 PolarHBondContact O-N 3.46Å; I248-I386 HydrophobicContact CD1-CB 4.38Å
249K43Very low72.6Confident209 Ų20976.2 Ų76.291%0.90941%0.413SS*.  trans-67.189.6170.2-63.4176.3-176.3174.80108.1S251K249-S251 PolarHBondContact O-N 3.08Å
250S52.8Low72.8Confident70 Ų7076.4 Ų76.449%0.4942%0.417SS..  trans-58.7137.9166.849.80000108.2I248 G252I248-S250 VanDerWaalsContact C-N 3.3Å; I248-S250 PolarHBondContact O-N 3.46Å; S250-G252 PolarHBondContact O-N 3.06Å
251S62.6Low72.9Confident95 Ų9578.9 Ų78.966%0.66442%0.417SS*.  trans-7014.6-174.350.40000114.3K249 Y253K249-S251 PolarHBondContact O-N 3.08Å; S251-Y253 VanDerWaalsContact C-N 3.34Å; S251-Y253 WeakPolarHBondContact O-CD2 3.34Å; S251-Y253 WeakPolarHBondContact O-CE2 3.37Å
252G85Confident73.3Confident31 Ų3176 Ų7632%0.3240%0.401SS..SBendtrans77.515.5-167.100000113.8K238 S239 S250K238-G252 CarbonylContact C-O 3.57Å; K238-G252 VanDerWaalsContact CA-O 3.26Å; K238-G252 WeakPolarHBondContact CA-O 3.37Å; S239-G252 PolarHBondContact N-O 2.83Å; S250-G252 PolarHBondContact O-N 3.06Å
253Y90.1Very high74.3Confident51 Ų5171.2 Ų71.220%0.237%0.37CS..EExtended strand (participates in β ladder)trans-128.1156.5-178.9-64.7-91.7000113.3H169 R236 M237 K238 S251H169-Y253 HydrophobicContact CB-CD1 3.86Å; H169-Y253 HydrophobicContact CB-CE1 3.71Å; H169-Y253 HydrophobicContact CB-CG 4.48Å; H169-Y253 AromaticContact CD2-CE2 3.81Å; H169-Y253 AromaticContact CD2-CZ 3.93Å; R236-Y253 HydrophobicContact CB-CD1 4.3Å; M237-Y253 VanDerWaalsContact C-CD1 3.47Å; M237-Y253 CarbonylContact O-C 3.08Å; M237-Y253 VanDerWaalsContact O-CA 3.23Å; M237-Y253 WeakPolarHBondContact O-CA 3.44Å; K238-Y253 HydrophobicContact CB-CE1 4.41Å; K238-Y253 WeakPolarHBondContact CE-OH 3.26Å; K238-Y253 HydrophobicContact CG-CD1 4.07Å; K238-Y253 HydrophobicContact CG-CE1 3.44Å; K238-Y253 VanDerWaalsContact CG-CE1 3.44Å; S251-Y253 VanDerWaalsContact C-N 3.34Å; S251-Y253 WeakPolarHBondContact O-CD2 3.34Å; S251-Y253 WeakPolarHBondContact O-CE2 3.37Å
254K91.3Very high75.3Confident53 Ų5369.1 Ų69.123%0.2336%0.362CS..EExtended strand (participates in β ladder)trans-126.8151.5165.5-77.1-172.5-179.2-176.70110.4Y151 L152 R236 M237Y151-K254 WeakPolarHBondContact O-CD 3.23Å; Y151-K254 WeakPolarHBondContact O-CE 3.44Å; Y151-K254 PolarHBondContact O-NZ 2.9Å; L152-K254 HydrophobicContact CD2-CB 4.15Å; L152-K254 HydrophobicContact CD2-CD 4.29Å; R236-K254 CarbonylContact C-O 3.53Å; R236-K254 VanDerWaalsContact CA-O 3.29Å; R236-K254 WeakPolarHBondContact CA-O 3.27Å; M237-K254 PolarHBondContact N-O 2.72Å; M237-K254 PolarHBondContact O-N 3.31Å
255V93.5Very high76.6Confident7 Ų763.5 Ų63.54%0.04234%0.341CS..EExtended strand (participates in β ladder)trans-77.1126.7169.7-172.70000109.6F234 R236 L288 K358 Q360F234-V255 HydrophobicContact CB-CG1 4.23Å; F234-V255 HydrophobicContact CD1-CG1 4.27Å; R236-V255 HydrophobicContact CG-CG2 4.31Å; V255-L288 HydrophobicContact CB-CD1 4.38Å; V255-L288 HydrophobicContact CG1-CD1 3.92Å; V255-L288 PolarHBondContact O-N 3.43Å; V255-L288 VanDerWaalsContact O-N 3.1Å; V255-K358 HydrophobicContact CG2-CB 4.5Å; V255-K358 WeakPolarHBondContact CG2-O 3.32Å; V255-Q360 HydrophobicContact CB-CB 4.02Å; V255-Q360 HydrophobicContact CB-CG 4.28Å; V255-Q360 HydrophobicContact CG1-CB 4.24Å; V255-Q360 HydrophobicContact CG2-CB 3.93Å; V255-Q360 HydrophobicContact CG2-CG 3.92Å
256I96.1Very high77.4Confident0 Ų063.6 Ų63.60%033%0.325CS..EExtended strand (participates in β ladder)trans-113.5124.5175.9-58.6-53.6000108.1F131 L152 F234 I235 M237 I258 A285 H286 A287F131-I256 HydrophobicContact CE1-CD1 4.06Å; F131-I256 HydrophobicContact CZ-CD1 4.24Å; F131-I256 HydrophobicContact CZ-CG1 4.39Å; F131-I256 HydrophobicContact CZ-CG2 4.16Å; L152-I256 HydrophobicContact CD2-CD1 4.01Å; F234-I256 WeakPolarHBondContact CA-O 3.26Å; I235-I256 HydrophobicContact CG1-CB 4.38Å; I235-I256 PolarHBondContact N-O 2.78Å; I235-I256 PolarHBondContact O-N 2.95Å; M237-I256 HydrophobicContact CB-CG1 3.77Å; M237-I256 HydrophobicContact CG-CB 4.27Å; M237-I256 HydrophobicContact CG-CG1 3.71Å; M237-I256 HydrophobicContact SD-CB 4.35Å; M237-I256 HydrophobicContact SD-CG1 3.9Å; M237-I256 HydrophobicContact SD-CG2 4.35Å; I256-I258 HydrophobicContact CG2-CG1 4.22Å; I256-A285 HydrophobicContact CG2-CB 3.74Å; I256-H286 WeakPolarHBondContact CA-O 3.33Å; I256-A287 VanDerWaalsContact CD1-CA 3.49Å; I256-A287 HydrophobicContact CD1-CB 3.43Å; I256-A287 VanDerWaalsContact CD1-CB 3.43Å
257H96.6Very high78.2Confident24 Ų2464.4 Ų64.411%0.11133%0.332CS..EExtended strand (participates in β ladder)trans-82.8116.3164.7-175.4-154.4000108.7S232 F234 T259 A285 H286 L288S232-H257 PolarHBondContact OG-NE2 3.08Å; F234-H257 HydrophobicContact CD1-CB 3.8Å; F234-H257 AromaticContact CD1-CD2 3.94Å; F234-H257 HydrophobicContact CE1-CB 3.55Å; F234-H257 AromaticContact CE1-CD2 3.46Å; F234-H257 VanDerWaalsContact CE1-CD2 3.46Å; F234-H257 WeakPolarHBondContact CE1-CD2 3.27Å; F234-H257 AromaticContact CE1-CG 3.45Å; F234-H257 VanDerWaalsContact CE1-CG 3.45Å; F234-H257 AromaticContact CZ-CD2 3.65Å; F234-H257 AromaticContact CZ-CG 3.99Å; F234-H257 AromaticContact CZ-NE2 3.98Å; H257-T259 WeakPolarHBondContact CE1-CG2 3.37Å; H257-T259 WeakPolarHBondContact NE2-CG2 3.49Å; H257-A285 WeakPolarHBondContact O-CA 3.47Å; H257-H286 HydrophobicContact CB-CB 4.47Å; H257-H286 PolarHBondContact N-O 2.96Å; H257-H286 PolarHBondContact O-N 2.85Å; H257-L288 HydrophobicContact CB-CD2 4.14Å
258I96.6Very high79.1Confident0 Ų061.6 Ų61.60%032%0.324CS..EExtended strand (participates in β ladder)trans-91.4126.6172.3-76.2179.5000108.1F133 M176 S232 F233 I235 I256 V283F133-I258 HydrophobicContact CZ-CD1 3.84Å; F133-I258 HydrophobicContact CZ-CG1 4.26Å; M176-I258 HydrophobicContact SD-CD1 4.27Å; S232-I258 VanDerWaalsContact CA-O 3.28Å; S232-I258 WeakPolarHBondContact CA-O 3.3Å; F233-I258 HydrophobicContact CD1-CB 4.25Å; F233-I258 HydrophobicContact CD1-CG2 3.92Å; F233-I258 HydrophobicContact CE1-CB 4.03Å; F233-I258 HydrophobicContact CE1-CD1 4.45Å; F233-I258 HydrophobicContact CE1-CG2 3.39Å; F233-I258 HydrophobicContact CE2-CB 4.48Å; F233-I258 HydrophobicContact CE2-CD1 3.91Å; F233-I258 HydrophobicContact CZ-CB 4.15Å; F233-I258 HydrophobicContact CZ-CD1 3.74Å; F233-I258 HydrophobicContact CZ-CG2 3.77Å; F233-I258 PolarHBondContact N-O 2.83Å; F233-I258 VanDerWaalsContact N-O 3.11Å; F233-I258 PolarHBondContact O-N 2.91Å; I235-I258 HydrophobicContact CD1-CD1 3.41Å; I235-I258 VanDerWaalsContact CD1-CD1 3.41Å; I235-I258 HydrophobicContact CD1-CG1 4.4Å; I235-I258 HydrophobicContact CG1-CD1 3.82Å; I235-I258 HydrophobicContact CG1-CG1 4.38Å; I256-I258 HydrophobicContact CG2-CG1 4.22Å; I258-V283 HydrophobicContact CB-CG1 4.22Å; I258-V283 HydrophobicContact CG1-CG1 4.09Å; I258-V283 HydrophobicContact CG2-CB 4.48Å; I258-V283 HydrophobicContact CG2-CG1 3.73Å; I258-V283 HydrophobicContact CG2-CG2 3.88Å
259T96.4Very high79.3Confident45 Ų4560 Ų6028%0.27632%0.32SS..EExtended strand (participates in β ladder)trans-124.6134.3164.863.30000109.4R231 H257 V283 V284R231-T259 CarbonylContact O-C 3.51Å; R231-T259 WeakPolarHBondContact O-CA 3.47Å; H257-T259 WeakPolarHBondContact CE1-CG2 3.37Å; H257-T259 WeakPolarHBondContact NE2-CG2 3.49Å; T259-V283 CarbonylContact O-C 3.58Å; T259-V283 WeakPolarHBondContact O-CA 3.34Å; T259-V284 PolarHBondContact N-O 3.34Å; T259-V284 PolarHBondContact O-N 3.4Å; T259-V284 VanDerWaalsContact O-O 3.05Å; T259-V284 PolarHBondContact OG1-O 2.75Å; T259-V284 VanDerWaalsContact OG1-O 3.13Å
260G95.3Very high79.6Confident18 Ų1859.7 Ų59.719%0.18632%0.321CS..EExtended strand (participates in β ladder)trans179.9-173.9-171.300000115.1R231 V282R231-G260 PolarHBondContact N-O 2.82Å; R231-G260 PolarHBondContact O-N 3.37Å; G260-V282 CarbonylContact C-O 3.58Å; G260-V282 WeakPolarHBondContact CA-O 3.38Å
261R93.8Very high79.7Confident141 Ų14160.5 Ų60.553%0.53234%0.34SS..EExtended strand (participates in β ladder)trans-136.5140.8176.5-62.8-172.3179.789.65111.5L229 E230 R263 V282L229-R261 CarbonylContact O-C 3.57Å; L229-R261 WeakPolarHBondContact O-CA 3.42Å; E230-R261 HydrophobicContact CG-CG 4.32Å; E230-R261 IonicContact OE1-CZ 3.18Å; E230-R261 IonicContact OE1-NE 2.72Å; E230-R261 PolarHBondContact OE1-NE 3.49Å; E230-R261 IonicContact OE1-NH2 2.98Å; E230-R261 PolarHBondContact OE1-NH2 3.21Å; R261-R263 PolarHBondContact O-N 2.97Å; R261-V282 PolarHBondContact N-O 3.42Å; R261-V282 PolarHBondContact O-N 3.34Å
262L91.9Very high79.4Confident4 Ų465.7 Ų65.72%0.02135%0.345CS..EExtended strand (participates in β ladder)trans-79.3114174.7-163.270.5000108.7L229 I278 L281L229-L262 PolarHBondContact O-N 2.89Å; L262-I278 HydrophobicContact CD1-CG2 3.83Å; L262-I278 HydrophobicContact CD2-CD1 3.84Å; L262-I278 HydrophobicContact CD2-CG1 3.83Å; L262-I278 HydrophobicContact CD2-CG2 4.09Å; L262-I278 HydrophobicContact CG-CG1 4.39Å; L262-I278 HydrophobicContact CG-CG2 3.92Å; L262-L281 HydrophobicContact CB-CD1 4.35Å; L262-L281 HydrophobicContact CD1-CB 4.24Å; L262-L281 HydrophobicContact CD1-CD1 4.03Å
263R88.3Confident78Confident22 Ų2270 Ų708%0.08337%0.365CS..EExtended strand (participates in β ladder)trans-85.9134.6-173.4-159.3167.7-178.6-1360.3110.2F76 A77 G80 P82 R261 M279 G280 V282F76-R263 HydrophobicContact CE2-CB 4.49Å; F76-R263 HydrophobicContact CZ-CB 4.02Å; F76-R263 HydrophobicContact CZ-CG 4.49Å; F76-R263 PolarHBondContact O-NH1 2.81Å; A77-R263 PolarHBondContact O-NH2 2.8Å; A77-R263 VanDerWaalsContact O-NH2 3.08Å; G80-R263 PolarHBondContact O-NH2 3.43Å; P82-R263 PolarHBondContact O-NH2 3.43Å; R261-R263 PolarHBondContact O-N 2.97Å; R263-M279 WeakPolarHBondContact O-CB 3.09Å; R263-M279 PolarHBondContact O-N 2.77Å; R263-G280 PolarHBondContact N-O 2.93Å; R263-V282 HydrophobicContact CB-CG2 4.36Å
264L84.3Confident76.3Confident36 Ų3670.4 Ų70.419%0.18837%0.373CS..EExtended strand (participates in β ladder)trans-109.8144-174.2-69.6-178000111.8L229 Q277 I278L229-L264 HydrophobicContact CD1-CD1 3.51Å; L229-L264 HydrophobicContact CD1-CG 4.16Å; L229-L264 HydrophobicContact CD2-CD1 3.84Å; L229-L264 HydrophobicContact CD2-CD2 4.35Å; L229-L264 HydrophobicContact CD2-CG 4.16Å; L229-L264 HydrophobicContact CG-CD1 4.33Å; L264-Q277 WeakPolarHBondContact CA-O 2.98Å; L264-I278 HydrophobicContact CD2-CG1 4.03Å
265R76.3Confident74.5Confident118 Ų11871 Ų7145%0.44538%0.382SS..EExtended strand (participates in β ladder)trans-94.4109.6168.8-170.9179-173.2179.45.2109.4S276 Q277 M279R265-S276 WeakPolarHBondContact O-CA 3.49Å; R265-Q277 PolarHBondContact N-O 2.82Å; R265-Q277 PolarHBondContact O-N 3.31Å; R265-M279 HydrophobicContact CB-CG 3.64Å; R265-M279 HydrophobicContact CB-SD 3.8Å
266V65.6Low73.2Confident83 Ų8373 Ų7350%0.50340%0.397SS..EExtended strand (participates in β ladder)trans-78.4123.5172.4-1770000109.1L268V266-L268 HydrophobicContact CG1-CD2 4.28Å; V266-L268 HydrophobicContact CG1-CG 4.31Å
267S59.3Low72.3Confident57 Ų5778.6 Ų78.640%0.39942%0.423SS..EExtended strand (participates in β ladder)trans-104.4103.8175.6-168.70000110.3S269 V274S267-S269 PolarHBondContact O-N 2.87Å; S267-V274 PolarHBondContact O-N 3.06Å
268L57Low71.8Confident148 Ų14879.4 Ų79.478%0.77543%0.427SS*.EExtended strand (participates in β ladder)trans-87103.7175.2-67176.1000109.9V266V266-L268 HydrophobicContact CG1-CD2 4.28Å; V266-L268 HydrophobicContact CG1-CG 4.31Å
269S50Low71.4Confident49 Ų4980 Ų8034%0.34343%0.431SS..EExtended strand (participates in β ladder)trans-124.4118.4173.665.90000111.6S267 G271 R272 V274S267-S269 PolarHBondContact O-N 2.87Å; S269-G271 PolarHBondContact O-N 2.83Å; S269-G271 VanDerWaalsContact O-N 3.16Å; S269-R272 PolarHBondContact O-N 3.35Å; S269-R272 VanDerWaalsContact O-O 3.12Å; S269-V274 WeakPolarHBondContact OG-CG2 3.48Å
270H48.6Very low71.2Confident201 Ų20177.9 Ų77.993%0.93142%0.418SS*.THydrogen-bonded Turntrans43.252.8165.3-62.497.5000115.8R272H270-R272 VanDerWaalsContact C-N 3.34Å; H270-R272 PolarHBondContact O-N 3Å
271G55.6Low71.2Confident87 Ų8777 Ų7790%0.89741%0.409SS*.THydrogen-bonded Turntrans77.39.8169.800000116S269S269-G271 PolarHBondContact O-N 2.83Å; S269-G271 VanDerWaalsContact O-N 3.16Å
272R57Low71.4Confident205 Ų20572 Ų7277%0.77439%0.394SS*.EExtended strand (participates in β ladder)trans-128.9136.5167.7-66-173.1177.9-165.2-1.9110.4S269 H270 V274S269-R272 PolarHBondContact O-N 3.35Å; S269-R272 VanDerWaalsContact O-O 3.12Å; H270-R272 VanDerWaalsContact C-N 3.34Å; H270-R272 PolarHBondContact O-N 3Å; R272-V274 PolarHBondContact O-N 3.12Å
273T54.7Low71.6Confident120 Ų12072 Ų7274%0.73639%0.394SS*.EExtended strand (participates in β ladder)trans-72.1112.5170.635.20000109
274V53.7Low72Confident61 Ų6173 Ų7337%0.3740%0.402SS..EExtended strand (participates in β ladder)trans-84.7145.4174.7172.40000108.6S267 S269 R272 S276S267-V274 PolarHBondContact O-N 3.06Å; S269-V274 WeakPolarHBondContact OG-CG2 3.48Å; R272-V274 PolarHBondContact O-N 3.12Å; V274-S276 PolarHBondContact O-N 3.4Å
275P53.8Low72.7Confident64 Ų6471.2 Ų71.242%0.41639%0.393SS..EExtended strand (participates in β ladder)trans-56.1137.3-172.7-27.235.3000113.4P220 L222 Q277P220-P275 HydrophobicContact CB-CB 4.04Å; P220-P275 HydrophobicContact CG-CB 3.67Å; P220-P275 HydrophobicContact CG-CG 4.1Å; L222-P275 HydrophobicContact CD2-CB 4.45Å; L222-P275 HydrophobicContact CD2-CG 4.31Å; P275-Q277 PolarHBondContact O-N 2.92Å
276S66.8Low73.4Confident49 Ų4968.4 Ų68.434%0.34338%0.384SS..EExtended strand (participates in β ladder)trans-63.2128.3-179.1-65.10000112.4R265 V274R265-S276 WeakPolarHBondContact O-CA 3.49Å; V274-S276 PolarHBondContact O-N 3.4Å
277Q76.9Confident74.6Confident118 Ų11865 Ų6555%0.55137%0.366SS*.EExtended strand (participates in β ladder)trans-88.9137.3171.5-170.9179.66.100110.3L264 R265 P275 M279L264-Q277 WeakPolarHBondContact CA-O 2.98Å; R265-Q277 PolarHBondContact N-O 2.82Å; R265-Q277 PolarHBondContact O-N 3.31Å; P275-Q277 PolarHBondContact O-N 2.92Å; Q277-M279 PolarHBondContact O-N 3.35Å
278I85.5Confident75.6Confident41 Ų4162.9 Ų62.921%0.2135%0.35CS..EExtended strand (participates in β ladder)trans-63.8124.6171.3-65.1162.6000109.3L223 L262 L264L223-I278 HydrophobicContact CD1-CD1 4.45Å; L262-I278 HydrophobicContact CD1-CG2 3.83Å; L262-I278 HydrophobicContact CD2-CD1 3.84Å; L262-I278 HydrophobicContact CD2-CG1 3.83Å; L262-I278 HydrophobicContact CD2-CG2 4.09Å; L262-I278 HydrophobicContact CG-CG1 4.39Å; L262-I278 HydrophobicContact CG-CG2 3.92Å; L264-I278 HydrophobicContact CD2-CG1 4.03Å
279M88.6Confident76.1Confident14 Ų1459.6 Ų59.67%0.06934%0.337CS..EExtended strand (participates in β ladder)trans-91.6-19.4173.3-62.8174.459.100112.7F76 Q79 N136 Q137 R263 R265 Q277F76-M279 HydrophobicContact CB-CE 4.4Å; F76-M279 HydrophobicContact CD2-CB 3.93Å; F76-M279 HydrophobicContact CD2-CE 3.75Å; F76-M279 HydrophobicContact CE2-CB 3.67Å; F76-M279 HydrophobicContact CE2-CE 4.26Å; F76-M279 WeakPolarHBondContact CE2-O 3.31Å; F76-M279 HydrophobicContact CG-CE 4.07Å; F76-M279 WeakPolarHBondContact O-CE 3.32Å; Q79-M279 HydrophobicContact CB-CE 3.65Å; Q79-M279 HydrophobicContact CB-SD 4.39Å; N136-M279 CarbonylContact C-O 3.59Å; N136-M279 VanDerWaalsContact CA-O 3.28Å; N136-M279 WeakPolarHBondContact CA-O 3.34Å; Q137-M279 PolarHBondContact N-O 2.86Å; Q137-M279 PolarHBondContact OE1-O 2.8Å; R263-M279 WeakPolarHBondContact O-CB 3.09Å; R263-M279 PolarHBondContact O-N 2.77Å; R265-M279 HydrophobicContact CB-CG 3.64Å; R265-M279 HydrophobicContact CB-SD 3.8Å; Q277-M279 PolarHBondContact O-N 3.35Å
280G92.6Very high76.5Confident0 Ų059.9 Ų59.90%034%0.338CS..EExtended strand (participates in β ladder)trans127.8-169.1-171.900000112.8L135 N136 R263L135-G280 CarbonylContact O-C 3.11Å; L135-G280 VanDerWaalsContact O-CA 3.3Å; L135-G280 WeakPolarHBondContact O-CA 3.1Å; N136-G280 VanDerWaalsContact C-CA 3.48Å; R263-G280 PolarHBondContact N-O 2.93Å
281L95.8Very high76.7Confident0 Ų051.7 Ų51.70%030%0.303CS..EExtended strand (participates in β ladder)trans-118.1135.8-165.1-173.672000111.1A134 L135 M176 L180 R231 L262 V283A134-L281 CarbonylContact C-O 3.53Å; A134-L281 WeakPolarHBondContact CA-O 3.42Å; L135-L281 HydrophobicContact CB-CB 4.39Å; L135-L281 PolarHBondContact N-O 3Å; L135-L281 PolarHBondContact O-N 2.78Å; M176-L281 HydrophobicContact CE-CD2 4.26Å; L180-L281 HydrophobicContact CD2-CB 3.78Å; L180-L281 HydrophobicContact CD2-CD2 4.37Å; R231-L281 HydrophobicContact CB-CD1 4.07Å; R231-L281 HydrophobicContact CG-CD1 3.68Å; L262-L281 HydrophobicContact CB-CD1 4.35Å; L262-L281 HydrophobicContact CD1-CB 4.24Å; L262-L281 HydrophobicContact CD1-CD1 4.03Å; L281-V283 HydrophobicContact CD2-CG2 3.56Å; L281-V283 HydrophobicContact CG-CG2 3.59Å
282V96.7Very high76.7Confident36 Ų3649.4 Ų49.422%0.21827%0.271CS..EExtended strand (participates in β ladder)trans-116.5126175.9-173.20000109.1F76 W84 G260 R261 R263F76-V282 HydrophobicContact CE1-CG2 3.73Å; F76-V282 HydrophobicContact CZ-CG2 3.62Å; W84-V282 HydrophobicContact CH2-CG1 3.89Å; W84-V282 HydrophobicContact CH2-CG2 3.85Å; W84-V282 HydrophobicContact CZ2-CG1 4.04Å; W84-V282 HydrophobicContact CZ2-CG2 3.9Å; G260-V282 CarbonylContact C-O 3.58Å; G260-V282 WeakPolarHBondContact CA-O 3.38Å; R261-V282 PolarHBondContact N-O 3.42Å; R261-V282 PolarHBondContact O-N 3.34Å; R263-V282 HydrophobicContact CB-CG2 4.36Å
283V97Very high76.7Confident3 Ų344 Ų442%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-134.9140.1-161.7174.80000112.5V132 F133 I258 T259 L281 A285V132-V283 WeakPolarHBondContact CA-O 3.31Å; V132-V283 WeakPolarHBondContact CG1-O 3.49Å; F133-V283 HydrophobicContact CD1-CB 4.23Å; F133-V283 HydrophobicContact CD1-CG1 4.13Å; F133-V283 HydrophobicContact CD2-CB 3.92Å; F133-V283 HydrophobicContact CD2-CG2 4.11Å; F133-V283 HydrophobicContact CE1-CB 4.05Å; F133-V283 HydrophobicContact CE1-CG1 3.64Å; F133-V283 HydrophobicContact CE2-CB 3.7Å; F133-V283 HydrophobicContact CE2-CG1 4.09Å; F133-V283 HydrophobicContact CE2-CG2 3.55Å; F133-V283 HydrophobicContact CG-CB 4.19Å; F133-V283 HydrophobicContact CZ-CB 3.79Å; F133-V283 HydrophobicContact CZ-CG1 3.62Å; F133-V283 HydrophobicContact CZ-CG2 3.85Å; F133-V283 PolarHBondContact N-O 2.93Å; F133-V283 PolarHBondContact O-N 3Å; I258-V283 HydrophobicContact CB-CG1 4.22Å; I258-V283 HydrophobicContact CG1-CG1 4.09Å; I258-V283 HydrophobicContact CG2-CB 4.48Å; I258-V283 HydrophobicContact CG2-CG1 3.73Å; I258-V283 HydrophobicContact CG2-CG2 3.88Å; T259-V283 CarbonylContact O-C 3.58Å; T259-V283 WeakPolarHBondContact O-CA 3.34Å; L281-V283 HydrophobicContact CD2-CG2 3.56Å; L281-V283 HydrophobicContact CG-CG2 3.59Å; V283-A285 HydrophobicContact CG1-CB 3.9Å
284V97.4Very high76.7Confident42 Ų4245.4 Ų45.426%0.25526%0.26SS..EExtended strand (participates in β ladder)trans-103.2124.7151-1710000107.8L128 V132 T259L128-V284 HydrophobicContact CD2-CG1 4.28Å; V132-V284 HydrophobicContact CG2-CG2 4.42Å; T259-V284 PolarHBondContact N-O 3.34Å; T259-V284 PolarHBondContact O-N 3.4Å; T259-V284 VanDerWaalsContact O-O 3.05Å; T259-V284 PolarHBondContact OG1-O 2.75Å; T259-V284 VanDerWaalsContact OG1-O 3.13Å
285A97.3Very high76.8Confident0 Ų048.4 Ų48.40%027%0.269CS..EExtended strand (participates in β ladder)trans-117.3121.9-172.800000110.8G130 F131 F133 I256 H257 V283G130-A285 CarbonylContact C-O 3.5Å; G130-A285 VanDerWaalsContact CA-O 3.27Å; G130-A285 WeakPolarHBondContact CA-O 3.22Å; F131-A285 HydrophobicContact CD1-CB 4.36Å; F131-A285 HydrophobicContact CD2-CB 3.98Å; F131-A285 HydrophobicContact CE1-CB 4.06Å; F131-A285 HydrophobicContact CE2-CB 3.66Å; F131-A285 HydrophobicContact CG-CB 4.32Å; F131-A285 HydrophobicContact CZ-CB 3.7Å; F131-A285 PolarHBondContact N-O 2.79Å; F131-A285 PolarHBondContact O-N 2.8Å; F133-A285 HydrophobicContact CD1-CB 4.14Å; F133-A285 HydrophobicContact CE1-CB 3.69Å; I256-A285 HydrophobicContact CG2-CB 3.74Å; H257-A285 WeakPolarHBondContact O-CA 3.47Å; V283-A285 HydrophobicContact CG1-CB 3.9Å
286H92.8Very high77.2Confident58 Ų5847.2 Ų47.227%0.26926%0.261SS..EExtended strand (participates in β ladder)trans-106.7121-178.6-59.4-75.2000109.4D129 I256 H257 L288D129-H286 PolarHBondContact O-ND1 3.25Å; I256-H286 WeakPolarHBondContact CA-O 3.33Å; H257-H286 HydrophobicContact CB-CB 4.47Å; H257-H286 PolarHBondContact N-O 2.96Å; H257-H286 PolarHBondContact O-N 2.85Å; H286-L288 PolarHBondContact O-N 2.91Å
287A88.9Confident77Confident13 Ų1352.7 Ų52.711%0.10727%0.274CS..EExtended strand (participates in β ladder)trans-80.1116.6171.800000108.7Y151 I256Y151-A287 HydrophobicContact CD1-CB 3.93Å; Y151-A287 HydrophobicContact CG-CB 4.27Å; I256-A287 VanDerWaalsContact CD1-CA 3.49Å; I256-A287 HydrophobicContact CD1-CB 3.43Å; I256-A287 VanDerWaalsContact CD1-CB 3.43Å
288L81.3Confident76.8Confident12 Ų1249.1 Ų49.16%0.06326%0.259CS..PPolyproline II helixtrans-63.4129.4-175.7-61.1-176.5000109.4F234 V255 H257 H286 Q360 V362F234-L288 HydrophobicContact CD1-CD1 4.09Å; F234-L288 HydrophobicContact CE1-CD1 4.04Å; V255-L288 HydrophobicContact CB-CD1 4.38Å; V255-L288 HydrophobicContact CG1-CD1 3.92Å; V255-L288 PolarHBondContact O-N 3.43Å; V255-L288 VanDerWaalsContact O-N 3.1Å; H257-L288 HydrophobicContact CB-CD2 4.14Å; H286-L288 PolarHBondContact O-N 2.91Å; L288-Q360 HydrophobicContact CB-CB 4.36Å; L288-Q360 HydrophobicContact CD1-CB 3.65Å; L288-V362 HydrophobicContact CD1-CG2 4.3Å; L288-V362 HydrophobicContact CD2-CG2 3.54Å
289P66.5Low76.2Confident79 Ų7952 Ų5251%0.51327%0.274SS..PPolyproline II helixtrans-61.1135.5-175.524.5-33.6000109P291 Q360P289-P291 WeakPolarHBondContact O-CD 3.33Å; P289-Q360 PolarHBondContact O-NE2 2.91Å; P289-Q360 VanDerWaalsContact O-NE2 3.11Å
290P59.5Low75.1Confident55 Ų5555.8 Ų55.836%0.35730%0.301SS..  trans-79.895.9-17831.2-33.4000109.3T292P290-T292 PolarHBondContact O-N 3.02Å; P290-T292 VanDerWaalsContact O-N 3.13Å
291P51.5Low74.8Confident29 Ų2960.7 Ų60.719%0.18832%0.324CS..  trans-78.8112.3-164.530.2-21.9000109.5P289 V296 T383P289-P291 WeakPolarHBondContact O-CD 3.33Å; P291-V296 HydrophobicContact CB-CG2 4.37Å; P291-T383 VanDerWaalsContact CD-CG2 3.5Å; P291-T383 VanDerWaalsContact CG-CB 3.44Å; P291-T383 HydrophobicContact CG-CG2 3.55Å
292T57.1Low74.6Confident38 Ų3861.5 Ų61.523%0.23333%0.328CS..  trans-82.4142.113776.40000106.7V246 P290 N294 E295V246-T292 HydrophobicContact CG2-CG2 3.8Å; P290-T292 PolarHBondContact O-N 3.02Å; P290-T292 VanDerWaalsContact O-N 3.13Å; T292-N294 PolarHBondContact O-N 3.26Å; T292-N294 VanDerWaalsContact O-N 3.08Å; T292-E295 WeakPolarHBondContact CB-OE1 3.27Å; T292-E295 WeakPolarHBondContact CG2-OE1 3.45Å; T292-E295 PolarHBondContact O-N 2.7Å; T292-E295 WeakPolarHBondContact OG1-CG 3.29Å; T292-E295 PolarHBondContact OG1-OE1 3.25Å
293I56.1Low74.4Confident92 Ų9259.8 Ų59.847%0.47232%0.317SS..G310 helixtrans-58.6-24.7-179.9-167.4167.7000112.1E295 I397I293-E295 VanDerWaalsContact C-N 3.32Å; I293-E295 PolarHBondContact O-N 3.47Å; I293-I397 HydrophobicContact CB-CD1 4.23Å
294N54.2Low74.2Confident150 Ų15059.8 Ų59.880%0.80232%0.317SS*.G310 helixtrans-74.4-16.3178.3-59.1-1.5000114.1T292T292-N294 PolarHBondContact O-N 3.26Å; T292-N294 VanDerWaalsContact O-N 3.08Å
295E56.8Low74Confident123 Ų12357.8 Ų57.858%0.57531%0.305SS*.G310 helixtrans-95.5-15.3-179.9-75.6166.4-101.400112.8T292 I293 R297T292-E295 WeakPolarHBondContact CB-OE1 3.27Å; T292-E295 WeakPolarHBondContact CG2-OE1 3.45Å; T292-E295 PolarHBondContact O-N 2.7Å; T292-E295 WeakPolarHBondContact OG1-CG 3.29Å; T292-E295 PolarHBondContact OG1-OE1 3.25Å; I293-E295 VanDerWaalsContact C-N 3.32Å; I293-E295 PolarHBondContact O-N 3.47Å; E295-R297 PolarHBondContact O-N 2.93Å
296V61.6Low73.9Confident39 Ų3961.4 Ų61.424%0.23632%0.319CS..  trans-76.3110.3178.6-174.70000109.6P291 I298P291-V296 HydrophobicContact CB-CG2 4.37Å; V296-I298 HydrophobicContact CG1-CG1 4.11Å; V296-I298 PolarHBondContact O-N 2.82Å
297R64.1Low74Confident165 Ų16558.6 Ų58.662%0.62331%0.306SS*.  trans-78.3116.5167.3-64.6-178.4-179.4-1790.6108.4E295 D299E295-R297 PolarHBondContact O-N 2.93Å; R297-D299 PolarHBondContact O-N 2.91Å
298I71.6Confident74.3Confident43 Ų4361.2 Ų61.222%0.22132%0.318CS..  trans-97.988.6-174-44.9174.7000109.2V296 M302 V304 E317 R319V296-I298 HydrophobicContact CG1-CG1 4.11Å; V296-I298 PolarHBondContact O-N 2.82Å; I298-M302 HydrophobicContact CG2-CB 3.91Å; I298-V304 HydrophobicContact CD1-CG2 3.73Å; I298-V304 HydrophobicContact CG1-CG2 4.29Å; I298-E317 WeakPolarHBondContact CD1-OE1 3.35Å; I298-R319 PolarHBondContact O-NH1 3.47Å; I298-R319 PolarHBondContact O-NH2 2.8Å
299D72Confident75Confident101 Ų10163.8 Ų63.854%0.5433%0.331SS..  trans-67.4178.2177.3-67.6-34.5000112.1R297 M302 R319R297-D299 PolarHBondContact O-N 2.91Å; D299-M302 HydrophobicContact CB-SD 4.39Å; D299-R319 PolarHBondContact O-NH1 3.34Å
300C65.7Low76.4Confident94 Ų9463 Ų6364%0.63532%0.322SS*.THydrogen-bonded Turntrans-64.7150.5170.9520000111.2M302C300-M302 VanDerWaalsContact C-N 3.27Å; C300-M302 PolarHBondContact O-N 3.1Å
301H87.5Confident78.2Confident102 Ų10260.3 Ų60.347%0.47231%0.305SS..THydrogen-bonded Turntrans64.627.3-173.5-48.1-82.3000113.9Y323 L402H301-Y323 PolarHBondContact N-OH 3.24Å; H301-L402 HydrophobicContact CB-CB 3.97Å; H301-L402 PolarHBondContact O-N 3.36Å
302M90.9Very high80.4Confident18 Ų1860.9 Ų60.99%0.08931%0.306CS..EExtended strand (participates in β ladder)trans-132.7146.1169.7-66.6176.96100111.5I298 D299 C300 R319 V399 N400 Y401I298-M302 HydrophobicContact CG2-CB 3.91Å; D299-M302 HydrophobicContact CB-SD 4.39Å; C300-M302 VanDerWaalsContact C-N 3.27Å; C300-M302 PolarHBondContact O-N 3.1Å; M302-R319 WeakPolarHBondContact O-CD 3.41Å; M302-V399 HydrophobicContact CE-CG1 3.52Å; M302-N400 VanDerWaalsContact CA-O 3.27Å; M302-N400 WeakPolarHBondContact CA-O 3.45Å; M302-Y401 HydrophobicContact CE-CD1 3.88Å; M302-Y401 HydrophobicContact CE-CE1 3.35Å; M302-Y401 HydrophobicContact CG-CD1 3.78Å; M302-Y401 HydrophobicContact CG-CE1 4.22Å; M302-Y401 HydrophobicContact CG-CG 4.46Å; M302-Y401 HydrophobicContact SD-CD1 3.74Å; M302-Y401 HydrophobicContact SD-CE1 3.58Å; M302-Y401 VanDerWaalsContact SD-CE1 3.58Å
303F92.4Very high82.4Confident0 Ų059.1 Ų59.10%030%0.295CS..EExtended strand (participates in β ladder)trans-149.1148.3169.373.4-83.5000111.5T305 E317 R319 I320 Y323 M324 I378 N400 L402F303-T305 HydrophobicContact CD2-CG2 4.43Å; F303-T305 HydrophobicContact CE2-CG2 4.02Å; F303-E317 WeakPolarHBondContact CA-OE2 3.48Å; F303-R319 HydrophobicContact CB-CB 4.49Å; F303-I320 HydrophobicContact CD2-CB 4.15Å; F303-I320 HydrophobicContact CD2-CG1 4.39Å; F303-I320 HydrophobicContact CE2-CB 4.34Å; F303-I320 HydrophobicContact CE2-CD1 3.86Å; F303-I320 HydrophobicContact CE2-CG1 4.09Å; F303-I320 HydrophobicContact CG-CB 4.47Å; F303-I320 HydrophobicContact CZ-CD1 4.14Å; F303-I320 HydrophobicContact CZ-CG1 4.22Å; F303-Y323 HydrophobicContact CD1-CD2 4.27Å; F303-M324 HydrophobicContact CE1-CE 3.68Å; F303-M324 HydrophobicContact CE2-CE 4.45Å; F303-M324 HydrophobicContact CZ-CE 3.42Å; F303-M324 VanDerWaalsContact CZ-CE 3.42Å; F303-I378 HydrophobicContact CE1-CD1 4.34Å; F303-I378 HydrophobicContact CZ-CD1 4.45Å; F303-N400 HydrophobicContact CD1-CB 3.9Å; F303-N400 HydrophobicContact CD2-CB 4.5Å; F303-N400 HydrophobicContact CE1-CB 3.49Å; F303-N400 VanDerWaalsContact CE1-CB 3.49Å; F303-N400 HydrophobicContact CE2-CB 4.15Å; F303-N400 VanDerWaalsContact CE2-ND2 3.27Å; F303-N400 WeakPolarHBondContact CE2-ND2 3.27Å; F303-N400 HydrophobicContact CG-CB 4.38Å; F303-N400 HydrophobicContact CZ-CB 3.62Å; F303-N400 PolarHBondContact N-O 3.47Å; F303-N400 VanDerWaalsContact N-O 3.15Å; F303-N400 WeakPolarHBondContact O-CB 3.39Å; F303-N400 PolarHBondContact O-N 3.32Å; F303-N400 PolarHBondContact O-ND2 2.86Å; F303-N400 VanDerWaalsContact O-ND2 3.1Å; F303-L402 HydrophobicContact CD1-CD1 4.13Å; F303-L402 HydrophobicContact CE1-CD1 3.88Å
304V92.7Very high84.3Confident3 Ų357.8 Ų57.82%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-101.8135.6-177.1-177.60000111.9I298 E317 I397 V399I298-V304 HydrophobicContact CD1-CG2 3.73Å; I298-V304 HydrophobicContact CG1-CG2 4.29Å; V304-E317 HydrophobicContact CB-CG 4.19Å; V304-E317 PolarHBondContact N-OE2 3.02Å; V304-E317 PolarHBondContact O-N 3.13Å; V304-E317 VanDerWaalsContact O-N 3.09Å; V304-I397 HydrophobicContact CG1-CG2 4.05Å; V304-V399 HydrophobicContact CG2-CG1 4.49Å; V304-V399 HydrophobicContact CG2-CG2 4.32Å
305T94.6Very high86.3Confident0 Ų056.1 Ų56.10%027%0.272CS..EExtended strand (participates in β ladder)trans-114.8143.6165.238.70000110.4F303 I313 Y315 C316 W398 N400F303-T305 HydrophobicContact CD2-CG2 4.43Å; F303-T305 HydrophobicContact CE2-CG2 4.02Å; T305-I313 HydrophobicContact CG2-CG2 4.38Å; T305-Y315 CarbonylContact C-O 3.59Å; T305-Y315 WeakPolarHBondContact CA-O 3.49Å; T305-C316 HydrophobicContact CG2-CB 3.78Å; T305-C316 VanDerWaalsContact CG2-SG 3.6Å; T305-W398 PolarHBondContact N-O 3.08Å; T305-W398 PolarHBondContact O-N 2.78Å; T305-W398 PolarHBondContact OG1-O 3.01Å; T305-W398 VanDerWaalsContact OG1-O 3.1Å; T305-N400 PolarHBondContact OG1-ND2 2.8Å; T305-N400 VanDerWaalsContact OG1-ND2 3.12Å
306R93.8Very high88.1Confident75 Ų7550.4 Ų50.428%0.28325%0.245SC..EExtended strand (participates in β ladder)trans-109.7122.6168.2-172.9-165.1-175.3-138.8-0.1107.5I314 Y315 E393 N395 I396R306-I314 HydrophobicContact CG-CD1 4.35Å; R306-I314 WeakPolarHBondContact O-CB 3.08Å; R306-I314 PolarHBondContact O-N 3.39Å; R306-Y315 HydrophobicContact CB-CD1 4.35Å; R306-Y315 PolarHBondContact N-O 3.47Å; R306-Y315 PolarHBondContact O-N 3.38Å; R306-Y315 VanDerWaalsContact O-N 3.13Å; R306-E393 IonicContact CZ-OE1 2.78Å; R306-E393 IonicContact NH1-OE1 2.65Å; R306-E393 IonicContact NH2-OE1 3.94Å; R306-E393 PolarHBondContact NH2-OE1 3.43Å; R306-N395 HydrophobicContact CG-CB 4.34Å; R306-N395 PolarHBondContact NE-OD1 3Å; R306-N395 PolarHBondContact NH2-ND2 3.29Å; R306-N395 PolarHBondContact NH2-OD1 3.21Å; R306-I396 WeakPolarHBondContact CA-O 3.35Å
307V95.7Very high89.6Confident0 Ų050.2 Ų50.20%024%0.242CC..EExtended strand (participates in β ladder)trans-125.5155.6-174.6-47.70000111.4L311 N312 I313 I396V307-L311 HydrophobicContact CG2-CD2 3.74Å; V307-N312 CarbonylContact C-O 3.54Å; V307-N312 WeakPolarHBondContact CA-O 3.04Å; V307-N312 WeakPolarHBondContact CB-O 3.26Å; V307-I313 HydrophobicContact CG1-CB 4.46Å; V307-I313 HydrophobicContact CG1-CG1 4Å; V307-I396 HydrophobicContact CG2-CB 3.62Å; V307-I396 HydrophobicContact CG2-CD1 4.47Å; V307-I396 HydrophobicContact CG2-CG2 3.7Å; V307-I396 PolarHBondContact N-O 3.36Å; V307-I396 PolarHBondContact O-N 2.86Å
308N95.8Very high91Very high68 Ų6848.5 Ų48.536%0.36425%0.245SC..  trans-73172.9171.7-88.3-24.8000111.1D310 L311 N312 I314N308-D310 WeakPolarHBondContact CB-OD1 3.38Å; N308-D310 PolarHBondContact O-N 3.47Å; N308-L311 WeakPolarHBondContact O-CA 3.49Å; N308-L311 PolarHBondContact O-N 2.92Å; N308-N312 HydrophobicContact CB-CB 4.2Å; N308-N312 PolarHBondContact N-O 2.82Å; N308-I314 HydrophobicContact CB-CD1 4.49Å; N308-I314 WeakPolarHBondContact OD1-CD1 3.42Å
309M95.1Very high92Very high65 Ų6550.1 Ų50.132%0.3225%0.248SC..THydrogen-bonded Turntrans-64.3-5.2177.8-58.8-55.6-5700114.7H352 L356 I384 K394 I396M309-H352 PolarHBondContact O-NE2 2.65Å; M309-L356 HydrophobicContact CE-CD2 3.4Å; M309-L356 VanDerWaalsContact CE-CD2 3.4Å; M309-I384 HydrophobicContact CE-CD1 3.76Å; M309-I384 HydrophobicContact CE-CG1 4.16Å; M309-I384 HydrophobicContact SD-CG2 4.36Å; M309-K394 HydrophobicContact CG-CB 4.32Å; M309-K394 HydrophobicContact SD-CB 3.75Å; M309-I396 HydrophobicContact CE-CD1 4.41Å; M309-I396 HydrophobicContact SD-CD1 4.24Å; M309-I396 HydrophobicContact SD-CG1 4.18Å
310D96.4Very high93.1Very high62 Ų6245.3 Ų45.333%0.33222%0.223SC..THydrogen-bonded Turntrans-108.38.8173.772.5-33.8000112.8N308 N312 R335N308-D310 WeakPolarHBondContact CB-OD1 3.38Å; N308-D310 PolarHBondContact O-N 3.47Å; D310-N312 VanDerWaalsContact C-N 3.31Å; D310-N312 PolarHBondContact O-N 3.27Å; D310-N312 WeakPolarHBondContact OD1-CB 3.49Å; D310-N312 PolarHBondContact OD1-N 3.46Å; D310-N312 WeakPolarHBondContact OD2-CB 3.41Å; D310-R335 WeakPolarHBondContact OD2-CD 3.28Å
311L97.4Very high94.5Very high0 Ų043.6 Ų43.60%021%0.212CC..  trans61.424.2-168.4-49.8-178.9000115.3V307 N308 R335 C336 Y337 I348 H352 I396 W398V307-L311 HydrophobicContact CG2-CD2 3.74Å; N308-L311 WeakPolarHBondContact O-CA 3.49Å; N308-L311 PolarHBondContact O-N 2.92Å; L311-R335 CarbonylContact O-C 3.57Å; L311-R335 WeakPolarHBondContact O-CA 3.49Å; L311-C336 HydrophobicContact CB-CB 4.07Å; L311-C336 PolarHBondContact O-N 3.09Å; L311-C336 PolarHBondContact O-SG 3.39Å; L311-Y337 HydrophobicContact CD1-CE2 3.98Å; L311-I348 HydrophobicContact CD1-CG2 4.41Å; L311-H352 HydrophobicContact CD1-CB 4.22Å; L311-I396 HydrophobicContact CD2-CD1 4.09Å; L311-W398 HydrophobicContact CD1-CH2 4.47Å; L311-W398 HydrophobicContact CD1-CZ3 4.39Å; L311-W398 HydrophobicContact CD2-CE3 4.04Å; L311-W398 HydrophobicContact CD2-CZ3 3.86Å
312N97.9Very high94.7Very high41 Ų4144.4 Ų44.422%0.21922%0.219CC..BIsolated β-bridgetrans-70.2125.2166.8-167.4-10.9000111.3V307 N308 D310 I314 G333 K334 R335V307-N312 CarbonylContact C-O 3.54Å; V307-N312 WeakPolarHBondContact CA-O 3.04Å; V307-N312 WeakPolarHBondContact CB-O 3.26Å; N308-N312 HydrophobicContact CB-CB 4.2Å; N308-N312 PolarHBondContact N-O 2.82Å; D310-N312 VanDerWaalsContact C-N 3.31Å; D310-N312 PolarHBondContact O-N 3.27Å; D310-N312 WeakPolarHBondContact OD1-CB 3.49Å; D310-N312 PolarHBondContact OD1-N 3.46Å; D310-N312 WeakPolarHBondContact OD2-CB 3.41Å; N312-I314 PolarHBondContact O-N 3.02Å; N312-G333 WeakPolarHBondContact OD1-CA 3.22Å; N312-G333 PolarHBondContact OD1-O 2.9Å; N312-K334 PolarHBondContact OD1-N 3.42Å; N312-K334 PolarHBondContact OD1-O 3.43Å; N312-R335 HydrophobicContact CB-CG 3.95Å
313I97.8Very high94.8Very high0 Ų045.4 Ų45.40%022%0.223CC..EExtended strand (participates in β ladder)trans-76.4109.1-173.7-58.4168.7000110T305 V307 I331 V332 G333 K334 F339 W368T305-I313 HydrophobicContact CG2-CG2 4.38Å; V307-I313 HydrophobicContact CG1-CB 4.46Å; V307-I313 HydrophobicContact CG1-CG1 4Å; I313-I331 HydrophobicContact CD1-CB 4.2Å; I313-I331 HydrophobicContact CD1-CD1 4.27Å; I313-I331 HydrophobicContact CD1-CG1 4.46Å; I313-I331 HydrophobicContact CG2-CG1 4.49Å; I313-V332 HydrophobicContact CG2-CG2 4.1Å; I313-V332 CarbonylContact O-C 3.54Å; I313-V332 WeakPolarHBondContact O-CA 3.42Å; I313-G333 PolarHBondContact O-N 2.83Å; I313-K334 WeakPolarHBondContact CB-O 3.4Å; I313-K334 WeakPolarHBondContact CG1-O 3.33Å; I313-K334 PolarHBondContact N-O 2.93Å; I313-F339 HydrophobicContact CD1-CD2 4.27Å; I313-F339 HydrophobicContact CD1-CE2 4.07Å; I313-W368 HydrophobicContact CD1-CH2 4.32Å; I313-W368 HydrophobicContact CD1-CZ2 4.38Å
314I96Very high94.9Very high64 Ų6446 Ų4633%0.32823%0.225SC..EExtended strand (participates in β ladder)trans-84.3-35178.4-39.3170.1000110.5R306 N308 N312 N395R306-I314 HydrophobicContact CG-CD1 4.35Å; R306-I314 WeakPolarHBondContact O-CB 3.08Å; R306-I314 PolarHBondContact O-N 3.39Å; N308-I314 HydrophobicContact CB-CD1 4.49Å; N308-I314 WeakPolarHBondContact OD1-CD1 3.42Å; N312-I314 PolarHBondContact O-N 3.02Å; I314-N395 HydrophobicContact CD1-CB 4.47Å
315Y95.7Very high94.9Very high115 Ų11549 Ų4945%0.45124%0.242SC..EExtended strand (participates in β ladder)trans-154.3145.7-176.3165.8-91000110.7T305 R306 E317T305-Y315 CarbonylContact C-O 3.59Å; T305-Y315 WeakPolarHBondContact CA-O 3.49Å; R306-Y315 HydrophobicContact CB-CD1 4.35Å; R306-Y315 PolarHBondContact N-O 3.47Å; R306-Y315 PolarHBondContact O-N 3.38Å; R306-Y315 VanDerWaalsContact O-N 3.13Å; Y315-E317 HydrophobicContact CE1-CG 4.03Å
316C95.8Very high94.9Very high3 Ų349.5 Ų49.52%0.0224%0.244CC..EExtended strand (participates in β ladder)trans-135.6145.1168.1-174.90000109.3T305 P328 I331T305-C316 HydrophobicContact CG2-CB 3.78Å; T305-C316 VanDerWaalsContact CG2-SG 3.6Å; C316-P328 HydrophobicContact CB-CB 4.1Å; C316-P328 HydrophobicContact CB-CG 4.35Å; C316-I331 HydrophobicContact CB-CD1 3.82Å; C316-I331 HydrophobicContact CB-CG1 4.38Å
317E93.1Very high95Very high36 Ų3648.4 Ų48.417%0.16825%0.246CC..  trans-66143.5168.6-67.3-174.9128.300111.9I298 F303 V304 Y315 R319 I320I298-E317 WeakPolarHBondContact CD1-OE1 3.35Å; F303-E317 WeakPolarHBondContact CA-OE2 3.48Å; V304-E317 HydrophobicContact CB-CG 4.19Å; V304-E317 PolarHBondContact N-OE2 3.02Å; V304-E317 PolarHBondContact O-N 3.13Å; V304-E317 VanDerWaalsContact O-N 3.09Å; Y315-E317 HydrophobicContact CE1-CG 4.03Å; E317-R319 PolarHBondContact O-N 3.44Å; E317-I320 WeakPolarHBondContact O-CG2 3.41Å; E317-I320 PolarHBondContact O-N 2.84Å
318N94Very high95.1Very high128 Ų12849.3 Ų49.368%0.68425%0.252SS*.G310 helixtrans-59.1-19.7177.4-65.3-4.2000113.9I320 S321N318-I320 PolarHBondContact O-N 2.79Å; N318-I320 VanDerWaalsContact O-N 3.16Å; N318-S321 PolarHBondContact O-N 2.83Å; N318-S321 PolarHBondContact O-OG 3.15Å
319R91.8Very high95.1Very high77 Ų7752.3 Ų52.329%0.29127%0.272SS..G310 helixtrans-63.2-15.9179.9-153.4-170.7-65.2-172.30.2113.4I298 D299 M302 F303 E317 S321 D322 Y323I298-R319 PolarHBondContact O-NH1 3.47Å; I298-R319 PolarHBondContact O-NH2 2.8Å; D299-R319 PolarHBondContact O-NH1 3.34Å; M302-R319 WeakPolarHBondContact O-CD 3.41Å; F303-R319 HydrophobicContact CB-CB 4.49Å; E317-R319 PolarHBondContact O-N 3.44Å; R319-S321 PolarHBondContact O-N 2.92Å; R319-D322 HydrophobicContact CG-CB 4.47Å; R319-D322 WeakPolarHBondContact CG-OD2 3.25Å; R319-D322 WeakPolarHBondContact O-CB 3.22Å; R319-D322 PolarHBondContact O-N 2.61Å; R319-Y323 HydrophobicContact CG-CE2 3.9Å; R319-Y323 WeakPolarHBondContact O-CD2 3.23Å
320I94.5Very high95.1Very high0 Ų050.9 Ų50.90%027%0.266CS..G310 helixtrans-55.2-35.1171.8-168.5173.7000112.1F303 E317 N318 D322 Y323 M324 P328 I331F303-I320 HydrophobicContact CD2-CB 4.15Å; F303-I320 HydrophobicContact CD2-CG1 4.39Å; F303-I320 HydrophobicContact CE2-CB 4.34Å; F303-I320 HydrophobicContact CE2-CD1 3.86Å; F303-I320 HydrophobicContact CE2-CG1 4.09Å; F303-I320 HydrophobicContact CG-CB 4.47Å; F303-I320 HydrophobicContact CZ-CD1 4.14Å; F303-I320 HydrophobicContact CZ-CG1 4.22Å; E317-I320 WeakPolarHBondContact O-CG2 3.41Å; E317-I320 PolarHBondContact O-N 2.84Å; N318-I320 PolarHBondContact O-N 2.79Å; N318-I320 VanDerWaalsContact O-N 3.16Å; I320-D322 PolarHBondContact O-N 2.91Å; I320-Y323 CarbonylContact O-C 3.56Å; I320-Y323 PolarHBondContact O-N 2.93Å; I320-M324 HydrophobicContact CD1-CE 3.89Å; I320-M324 HydrophobicContact CD1-SD 3.92Å; I320-M324 HydrophobicContact CG1-CB 4.11Å; I320-M324 HydrophobicContact CG1-CE 3.93Å; I320-M324 HydrophobicContact CG1-CG 3.94Å; I320-M324 HydrophobicContact CG1-SD 3.95Å; I320-M324 PolarHBondContact O-N 3.06Å; I320-P328 HydrophobicContact CG2-CG 3.85Å; I320-I331 HydrophobicContact CD1-CD1 3.5Å; I320-I331 VanDerWaalsContact CD1-CD1 3.5Å
321S94.7Very high95.1Very high58 Ų5848 Ų4841%0.40625%0.25SS..G310 helixtrans-68.2-14.3177.9-47.90000114.1N318 R319 Y323N318-S321 PolarHBondContact O-N 2.83Å; N318-S321 PolarHBondContact O-OG 3.15Å; R319-S321 PolarHBondContact O-N 2.92Å; S321-Y323 VanDerWaalsContact C-N 3.25Å
322D93.3Very high95.1Very high119 Ų11951 Ų5164%0.63627%0.269SS*.G310 helixtrans-80.3-12.5172.9-58.1-22.8000111.6R319 I320R319-D322 HydrophobicContact CG-CB 4.47Å; R319-D322 WeakPolarHBondContact CG-OD2 3.25Å; R319-D322 WeakPolarHBondContact O-CB 3.22Å; R319-D322 PolarHBondContact O-N 2.61Å; I320-D322 PolarHBondContact O-N 2.91Å
323Y92.3Very high95Very high40 Ų4051.6 Ų51.616%0.15729%0.285CS..THydrogen-bonded Turntrans-130.3-19.5-165.2-60-32.4000114.3H301 F303 R319 I320 S321 L402H301-Y323 PolarHBondContact N-OH 3.24Å; F303-Y323 HydrophobicContact CD1-CD2 4.27Å; R319-Y323 HydrophobicContact CG-CE2 3.9Å; R319-Y323 WeakPolarHBondContact O-CD2 3.23Å; I320-Y323 CarbonylContact O-C 3.56Å; I320-Y323 PolarHBondContact O-N 2.93Å; S321-Y323 VanDerWaalsContact C-N 3.25Å; Y323-L402 HydrophobicContact CD1-CD2 4.15Å; Y323-L402 HydrophobicContact CD2-CD1 4.22Å; Y323-L402 HydrophobicContact CD2-CD2 4.49Å; Y323-L402 HydrophobicContact CG-CD1 4.31Å; Y323-L402 HydrophobicContact CG-CD2 3.86Å
324M94.8Very high95Very high11 Ų1156.3 Ų56.35%0.05431%0.305CS..SBendtrans-137.7158.7-175.7-63.1-156.7-152.500112.4F303 I320 L326 W368 Q370 I376 I378F303-M324 HydrophobicContact CE1-CE 3.68Å; F303-M324 HydrophobicContact CE2-CE 4.45Å; F303-M324 HydrophobicContact CZ-CE 3.42Å; F303-M324 VanDerWaalsContact CZ-CE 3.42Å; I320-M324 HydrophobicContact CD1-CE 3.89Å; I320-M324 HydrophobicContact CD1-SD 3.92Å; I320-M324 HydrophobicContact CG1-CB 4.11Å; I320-M324 HydrophobicContact CG1-CE 3.93Å; I320-M324 HydrophobicContact CG1-CG 3.94Å; I320-M324 HydrophobicContact CG1-SD 3.95Å; I320-M324 PolarHBondContact O-N 3.06Å; M324-L326 HydrophobicContact CB-CB 4.2Å; M324-L326 PolarHBondContact O-N 3.43Å; M324-L326 VanDerWaalsContact O-N 3.07Å; M324-L326 HydrophobicContact SD-CD1 4.22Å; M324-W368 HydrophobicContact CE-CD2 3.98Å; M324-W368 HydrophobicContact CE-CG 3.93Å; M324-W368 HydrophobicContact SD-CG 4.23Å; M324-Q370 PolarHBondContact SD-NE2 3.3Å; M324-I376 HydrophobicContact CE-CD1 3.97Å; M324-I376 HydrophobicContact CG-CD1 3.92Å; M324-I376 HydrophobicContact SD-CD1 4.37Å; M324-I378 HydrophobicContact CE-CD1 3.76Å
325D92.9Very high95.1Very high68 Ų6859 Ų5936%0.36431%0.311SS..SBendtrans-7413.1168.2-62.3-30.6000113.1K371 N372D325-K371 HydrophobicContact CB-CB 3.81Å; D325-K371 VanDerWaalsContact O-CB 3.24Å; D325-K371 WeakPolarHBondContact O-CB 3.15Å; D325-K371 VanDerWaalsContact O-CD 3.23Å; D325-K371 WeakPolarHBondContact O-CD 3.41Å; D325-N372 WeakPolarHBondContact CB-ND2 3.32Å; D325-N372 PolarHBondContact OD2-ND2 2.59Å
326L94.1Very high95.2Very high9 Ų953.5 Ų53.55%0.04729%0.29CS..  trans-122.3132.1-174.4-69.9167.7000110.1M324 D330 I331 F339 K371M324-L326 HydrophobicContact CB-CB 4.2Å; M324-L326 PolarHBondContact O-N 3.43Å; M324-L326 VanDerWaalsContact O-N 3.07Å; M324-L326 HydrophobicContact SD-CD1 4.22Å; L326-D330 HydrophobicContact CD2-CB 3.74Å; L326-I331 HydrophobicContact CB-CG2 4.13Å; L326-I331 HydrophobicContact CD1-CG2 4.1Å; L326-I331 HydrophobicContact CD2-CG2 4.25Å; L326-I331 HydrophobicContact CG-CG2 4.4Å; L326-F339 HydrophobicContact CD1-CD1 4.18Å; L326-F339 HydrophobicContact CD1-CE1 4.24Å; L326-K371 HydrophobicContact CD2-CB 3.78Å; L326-K371 HydrophobicContact CD2-CD 4.28Å; L326-K371 HydrophobicContact CD2-CG 4.2Å; L326-K371 HydrophobicContact CG-CB 4.14Å
327T96.3Very high95.3Very high53 Ų5356.4 Ų56.433%0.32530%0.301SS..  trans-94.5167.6170.575.40000110.7V329 D330T327-V329 PolarHBondContact O-N 3.43Å; T327-V329 VanDerWaalsContact O-N 3.13Å; T327-V329 PolarHBondContact OG1-N 3.16Å; T327-D330 WeakPolarHBondContact CB-OD2 3.27Å; T327-D330 PolarHBondContact N-OD2 2.66Å; T327-D330 WeakPolarHBondContact O-CB 3.33Å; T327-D330 PolarHBondContact O-N 2.87Å; T327-D330 PolarHBondContact OG1-OD2 3.16Å
328P96.9Very high95.5Very high19 Ų1959.2 Ų59.212%0.12331%0.314CS..Hα-helixtrans-54.8-30.4171.8-2837.4000113.8C316 I320 D330 I331 V332C316-P328 HydrophobicContact CB-CB 4.1Å; C316-P328 HydrophobicContact CB-CG 4.35Å; I320-P328 HydrophobicContact CG2-CG 3.85Å; P328-D330 VanDerWaalsContact C-N 3.33Å; P328-I331 PolarHBondContact O-N 3.26Å; P328-V332 WeakPolarHBondContact O-CB 3.39Å; P328-V332 VanDerWaalsContact O-CG2 3.24Å; P328-V332 WeakPolarHBondContact O-CG2 3.33Å; P328-V332 PolarHBondContact O-N 3.24Å
329V96.1Very high95.6Very high131 Ų13153.9 Ų53.979%0.79429%0.285SS*.Hα-helixtrans-70.6-29.8179.5-174.80000111.6T327 I331T327-V329 PolarHBondContact O-N 3.43Å; T327-V329 VanDerWaalsContact O-N 3.13Å; T327-V329 PolarHBondContact OG1-N 3.16Å; V329-I331 VanDerWaalsContact C-N 3.28Å; V329-I331 PolarHBondContact O-N 3.43Å
330D95.2Very high95.9Very high35 Ų3550.4 Ų50.419%0.18727%0.272CS..Hα-helixtrans-72.8-21.3177.7-62.3-84.8000113L326 T327 P328 K334 K371L326-D330 HydrophobicContact CD2-CB 3.74Å; T327-D330 WeakPolarHBondContact CB-OD2 3.27Å; T327-D330 PolarHBondContact N-OD2 2.66Å; T327-D330 WeakPolarHBondContact O-CB 3.33Å; T327-D330 PolarHBondContact O-N 2.87Å; T327-D330 PolarHBondContact OG1-OD2 3.16Å; P328-D330 VanDerWaalsContact C-N 3.33Å; D330-K334 WeakPolarHBondContact O-CD 3.19Å; D330-K334 WeakPolarHBondContact O-CE 3.27Å; D330-K334 PolarHBondContact O-NZ 3.4Å; D330-K371 IonicContact OD1-NZ 2.7Å; D330-K371 PolarHBondContact OD1-NZ 2.8Å; D330-K371 IonicContact OD2-NZ 2.71Å
331I96.3Very high96.1Very high0 Ų052 Ų520%028%0.279CS..Hα-helixtrans-120.3-25.9-167.670.4167.6000115.6I313 C316 I320 L326 P328 V329 K334 F339I313-I331 HydrophobicContact CD1-CB 4.2Å; I313-I331 HydrophobicContact CD1-CD1 4.27Å; I313-I331 HydrophobicContact CD1-CG1 4.46Å; I313-I331 HydrophobicContact CG2-CG1 4.49Å; C316-I331 HydrophobicContact CB-CD1 3.82Å; C316-I331 HydrophobicContact CB-CG1 4.38Å; I320-I331 HydrophobicContact CD1-CD1 3.5Å; I320-I331 VanDerWaalsContact CD1-CD1 3.5Å; L326-I331 HydrophobicContact CB-CG2 4.13Å; L326-I331 HydrophobicContact CD1-CG2 4.1Å; L326-I331 HydrophobicContact CD2-CG2 4.25Å; L326-I331 HydrophobicContact CG-CG2 4.4Å; P328-I331 PolarHBondContact O-N 3.26Å; V329-I331 VanDerWaalsContact C-N 3.28Å; V329-I331 PolarHBondContact O-N 3.43Å; I331-K334 WeakPolarHBondContact O-CB 3.4Å; I331-K334 PolarHBondContact O-N 3.1Å; I331-F339 HydrophobicContact CB-CE2 3.89Å; I331-F339 HydrophobicContact CB-CZ 3.77Å; I331-F339 HydrophobicContact CG2-CE1 3.85Å; I331-F339 HydrophobicContact CG2-CE2 3.99Å; I331-F339 HydrophobicContact CG2-CZ 3.49Å; I331-F339 VanDerWaalsContact CG2-CZ 3.49Å
332V97.8Very high96.2Very high64 Ų6453.2 Ų53.239%0.38829%0.292SS..THydrogen-bonded Turntrans-65.3139177.1166.80000110.2I313 P328 K334I313-V332 HydrophobicContact CG2-CG2 4.1Å; I313-V332 CarbonylContact O-C 3.54Å; I313-V332 WeakPolarHBondContact O-CA 3.42Å; P328-V332 WeakPolarHBondContact O-CB 3.39Å; P328-V332 VanDerWaalsContact O-CG2 3.24Å; P328-V332 WeakPolarHBondContact O-CG2 3.33Å; P328-V332 PolarHBondContact O-N 3.24Å; V332-K334 VanDerWaalsContact C-N 3.3Å
333G96.6Very high96.5Very high54 Ų5454.2 Ų54.256%0.55729%0.293SS*.THydrogen-bonded Turntrans84.4-6.5-173.600000114.9N312 I313N312-G333 WeakPolarHBondContact OD1-CA 3.22Å; N312-G333 PolarHBondContact OD1-O 2.9Å; I313-G333 PolarHBondContact O-N 2.83Å
334K97.3Very high96.8Very high98 Ų9853.5 Ų53.543%0.42629%0.292SS..SBendtrans-103146.5174.1-65.5167.5-178.5169.80110.8N312 I313 D330 I331 V332 F339N312-K334 PolarHBondContact OD1-N 3.42Å; N312-K334 PolarHBondContact OD1-O 3.43Å; I313-K334 WeakPolarHBondContact CB-O 3.4Å; I313-K334 WeakPolarHBondContact CG1-O 3.33Å; I313-K334 PolarHBondContact N-O 2.93Å; D330-K334 WeakPolarHBondContact O-CD 3.19Å; D330-K334 WeakPolarHBondContact O-CE 3.27Å; D330-K334 PolarHBondContact O-NZ 3.4Å; I331-K334 WeakPolarHBondContact O-CB 3.4Å; I331-K334 PolarHBondContact O-N 3.1Å; V332-K334 VanDerWaalsContact C-N 3.3Å; K334-F339 HydrophobicContact CB-CE2 3.89Å; K334-F339 HydrophobicContact CB-CZ 4.18Å; K334-F339 HydrophobicContact CD-CE2 4.26Å; K334-F339 HydrophobicContact CD-CZ 3.67Å
335R97.3Very high96.9Very high120 Ų12055.2 Ų55.245%0.45330%0.303SS..BIsolated β-bridgetrans-71.7141.7170.1-63.4179-67.8-146.9-1.5111.5D310 L311 N312 Y337 H338D310-R335 WeakPolarHBondContact OD2-CD 3.28Å; L311-R335 CarbonylContact O-C 3.57Å; L311-R335 WeakPolarHBondContact O-CA 3.49Å; N312-R335 HydrophobicContact CB-CG 3.95Å; R335-Y337 PolarHBondContact O-N 3.42Å; R335-H338 PolarHBondContact N-ND1 3.04Å; R335-H338 PolarHBondContact O-N 3.16Å; R335-H338 VanDerWaalsContact O-N 3.09Å; R335-H338 PolarHBondContact O-ND1 3.12Å
336C97.8Very high97.1Very high1 Ų156.9 Ų56.91%0.00731%0.309CS..G310 helixtrans-52.3-31177.9-66.20000113.4L311 H338 F339 I340L311-C336 HydrophobicContact CB-CB 4.07Å; L311-C336 PolarHBondContact O-N 3.09Å; L311-C336 PolarHBondContact O-SG 3.39Å; C336-H338 PolarHBondContact O-N 3.13Å; C336-H338 VanDerWaalsContact O-N 3.15Å; C336-F339 PolarHBondContact O-N 2.83Å; C336-I340 HydrophobicContact CB-CD1 4.21Å; C336-I340 WeakPolarHBondContact O-CG1 3.31Å; C336-I340 PolarHBondContact O-N 2.92Å
337Y98.1Very high97.2Very high64 Ų6457.4 Ų57.425%0.25132%0.317SS..G310 helixtrans-57.7-23.8178.4-66.4-65.1000115L311 R335 F339 I340 V345 I348 H352L311-Y337 HydrophobicContact CD1-CE2 3.98Å; R335-Y337 PolarHBondContact O-N 3.42Å; Y337-F339 PolarHBondContact O-N 2.95Å; Y337-I340 HydrophobicContact CD1-CD1 4.14Å; Y337-V345 HydrophobicContact CD1-CG1 4.09Å; Y337-V345 HydrophobicContact CE1-CG1 4.44Å; Y337-I348 HydrophobicContact CE1-CG2 4.22Å; Y337-H352 PolarHBondContact OH-ND1 3.39Å
338H96.6Very high97.3Very high94 Ų9455 Ų5544%0.43530%0.302SS..G310 helixtrans-74.3-12.3174.2-49100.2000113.4R335 C336 M369R335-H338 PolarHBondContact N-ND1 3.04Å; R335-H338 PolarHBondContact O-N 3.16Å; R335-H338 VanDerWaalsContact O-N 3.09Å; R335-H338 PolarHBondContact O-ND1 3.12Å; C336-H338 PolarHBondContact O-N 3.13Å; C336-H338 VanDerWaalsContact O-N 3.15Å; H338-M369 WeakPolarHBondContact O-CE 3.29Å
339F97.4Very high97.4Very high17 Ų1760 Ų608%0.07532%0.318CS..THydrogen-bonded Turntrans-112.1-8.6-178.1-57.4-69.6000113.4I313 L326 I331 K334 C336 Y337 W368 M369I313-F339 HydrophobicContact CD1-CD2 4.27Å; I313-F339 HydrophobicContact CD1-CE2 4.07Å; L326-F339 HydrophobicContact CD1-CD1 4.18Å; L326-F339 HydrophobicContact CD1-CE1 4.24Å; I331-F339 HydrophobicContact CB-CE2 3.89Å; I331-F339 HydrophobicContact CB-CZ 3.77Å; I331-F339 HydrophobicContact CG2-CE1 3.85Å; I331-F339 HydrophobicContact CG2-CE2 3.99Å; I331-F339 HydrophobicContact CG2-CZ 3.49Å; I331-F339 VanDerWaalsContact CG2-CZ 3.49Å; K334-F339 HydrophobicContact CB-CE2 3.89Å; K334-F339 HydrophobicContact CB-CZ 4.18Å; K334-F339 HydrophobicContact CD-CE2 4.26Å; K334-F339 HydrophobicContact CD-CZ 3.67Å; C336-F339 PolarHBondContact O-N 2.83Å; Y337-F339 PolarHBondContact O-N 2.95Å; F339-W368 HydrophobicContact CB-CD2 4.24Å; F339-W368 HydrophobicContact CB-CG 4.35Å; F339-W368 HydrophobicContact CB-CZ2 4.13Å; F339-W368 HydrophobicContact CD2-CZ2 4.1Å; F339-W368 HydrophobicContact CG-CZ2 4.21Å; F339-W368 AromaticContact CG-NE1 3.79Å; F339-W368 CarbonylContact O-C 3.45Å; F339-W368 WeakPolarHBondContact O-CA 3.3Å; F339-M369 PolarHBondContact O-N 3.49Å
340I98.3Very high97.5Very high4 Ų459 Ų592%0.02130%0.304CS..BIsolated β-bridgetrans-87.3127.5-179.7-66.3156.7000108.3C336 Y337 A342 D344 V345 I348 Y366C336-I340 HydrophobicContact CB-CD1 4.21Å; C336-I340 WeakPolarHBondContact O-CG1 3.31Å; C336-I340 PolarHBondContact O-N 2.92Å; Y337-I340 HydrophobicContact CD1-CD1 4.14Å; I340-A342 PolarHBondContact O-N 3.12Å; I340-D344 HydrophobicContact CG2-CB 3.89Å; I340-V345 HydrophobicContact CB-CG2 4.25Å; I340-V345 HydrophobicContact CG2-CG2 3.85Å; I340-I348 HydrophobicContact CD1-CB 3.97Å; I340-I348 HydrophobicContact CD1-CG1 3.95Å; I340-I348 HydrophobicContact CD1-CG2 3.64Å; I340-I348 HydrophobicContact CG1-CG1 4.44Å; I340-I348 HydrophobicContact CG2-CG1 4.05Å; I340-Y366 HydrophobicContact CG1-CD2 4.06Å; I340-Y366 HydrophobicContact CG1-CE2 3.95Å; I340-Y366 HydrophobicContact CG2-CD2 4.42Å
341H98.2Very high97.6Very high32 Ų3257.6 Ų57.615%0.14830%0.298CS..  trans-55.2134.6175.4-178.7-96.2000111E343 D344 V345 R367 M369H341-E343 VanDerWaalsContact C-N 3.26Å; H341-E343 IonicContact CE1-OE2 3.67Å; H341-E343 PolarHBondContact O-N 2.89Å; H341-D344 PolarHBondContact O-N 2.89Å; H341-V345 PolarHBondContact O-N 3.02Å; H341-R367 HydrophobicContact CB-CB 3.65Å; H341-R367 PolarHBondContact CE1-NH1 3.27Å; H341-R367 VanDerWaalsContact CE1-NH1 3.31Å; H341-R367 PolarHBondContact N-O 2.94Å; H341-R367 VanDerWaalsContact ND1-CZ 3.25Å; H341-R367 PolarHBondContact ND1-NH1 2.85Å; H341-R367 PolarHBondContact ND1-NH2 2.89Å; H341-M369 HydrophobicContact CB-CG 4.37Å
342A97.5Very high97.7Very high84 Ų8458.5 Ų58.569%0.69430%0.302SS*.G310 helixtrans-51.5-39.1-166.500000114.7I340 D344 V345I340-A342 PolarHBondContact O-N 3.12Å; A342-D344 VanDerWaalsContact C-N 3.29Å; A342-D344 PolarHBondContact O-N 2.88Å; A342-V345 WeakPolarHBondContact O-CB 3.19Å; A342-V345 PolarHBondContact O-N 2.78Å
343E98Very high97.6Very high140 Ų14059.5 Ų59.565%0.65431%0.305SS*.G310 helixtrans-64.3-28.2177.8-174.5-179.6-15700113.5H341 R367H341-E343 VanDerWaalsContact C-N 3.26Å; H341-E343 IonicContact CE1-OE2 3.67Å; H341-E343 PolarHBondContact O-N 2.89Å; E343-R367 IonicContact OE2-CZ 3.81Å; E343-R367 IonicContact OE2-NH1 2.68Å; E343-R367 PolarHBondContact OE2-NH1 3.36Å; E343-R367 IonicContact OE2-NH2 2.68Å; E343-R367 PolarHBondContact OE2-NH2 2.94Å
344D98.4Very high97.6Very high25 Ų2557.7 Ų57.713%0.13428%0.282CS..G310 helixtrans-89.5-13.1-179-60.6-30.9000113.1I340 H341 A342 E346 G347 I348 R367I340-D344 HydrophobicContact CG2-CB 3.89Å; H341-D344 PolarHBondContact O-N 2.89Å; A342-D344 VanDerWaalsContact C-N 3.29Å; A342-D344 PolarHBondContact O-N 2.88Å; D344-E346 VanDerWaalsContact C-N 3.29Å; D344-E346 PolarHBondContact O-N 2.6Å; D344-G347 WeakPolarHBondContact O-CA 3.23Å; D344-G347 PolarHBondContact O-N 2.85Å; D344-I348 PolarHBondContact O-N 2.99Å; D344-R367 VanDerWaalsContact CG-NH2 3.32Å; D344-R367 IonicContact OD1-CZ 3.94Å; D344-R367 IonicContact OD1-NE 2.82Å; D344-R367 IonicContact OD1-NH2 2.65Å; D344-R367 PolarHBondContact OD1-NH2 3.46Å; D344-R367 WeakPolarHBondContact OD2-CB 3.27Å; D344-R367 IonicContact OD2-CZ 2.73Å; D344-R367 PolarHBondContact OD2-N 2.72Å; D344-R367 IonicContact OD2-NE 2.7Å; D344-R367 PolarHBondContact OD2-NE 2.67Å; D344-R367 IonicContact OD2-NH2 2.69Å; D344-R367 PolarHBondContact OD2-NH2 3.35Å
345V97.9Very high97.5Very high47 Ų4753 Ų5329%0.28526%0.262SS..Hα-helixtrans-56.6-41.2-172.6171.30000112Y337 I340 H341 A342 I348 R349Y337-V345 HydrophobicContact CD1-CG1 4.09Å; Y337-V345 HydrophobicContact CE1-CG1 4.44Å; I340-V345 HydrophobicContact CB-CG2 4.25Å; I340-V345 HydrophobicContact CG2-CG2 3.85Å; H341-V345 PolarHBondContact O-N 3.02Å; A342-V345 WeakPolarHBondContact O-CB 3.19Å; A342-V345 PolarHBondContact O-N 2.78Å; V345-I348 PolarHBondContact O-N 3.29Å; V345-R349 WeakPolarHBondContact O-CB 3.22Å; V345-R349 PolarHBondContact O-N 2.76Å
346E97.5Very high97.3Very high103 Ų10350.9 Ų50.948%0.48126%0.259SS..Hα-helixtrans-66.9-36.9177.8-179.855.8-158.500112.1D344 I348 R349 H350D344-E346 VanDerWaalsContact C-N 3.29Å; D344-E346 PolarHBondContact O-N 2.6Å; E346-I348 VanDerWaalsContact C-N 3.33Å; E346-I348 PolarHBondContact O-N 3.46Å; E346-R349 PolarHBondContact O-N 3.44Å; E346-R349 IonicContact OE1-CZ 2.67Å; E346-R349 IonicContact OE1-NE 3.11Å; E346-R349 IonicContact OE1-NH2 3.82Å; E346-R349 PolarHBondContact OE1-NH2 3.26Å; E346-R349 IonicContact OE2-CZ 3.8Å; E346-R349 IonicContact OE2-NE 3.22Å; E346-R349 PolarHBondContact OE2-NE 2.87Å; E346-R349 IonicContact OE2-NH2 2.8Å; E346-R349 PolarHBondContact OE2-NH2 2.7Å; E346-H350 PolarHBondContact O-N 2.95Å
347G96.8Very high97.1Very high21 Ų2155.3 Ų55.322%0.21628%0.283CS..Hα-helixtrans-63.5-38.417400000112.6D344 S351D344-G347 WeakPolarHBondContact O-CA 3.23Å; D344-G347 PolarHBondContact O-N 2.85Å; G347-S351 WeakPolarHBondContact O-CB 3.41Å; G347-S351 PolarHBondContact O-N 2.96Å; G347-S351 VanDerWaalsContact O-N 3.08Å; G347-S351 PolarHBondContact O-OG 3.03Å
348I98.3Very high96.9Very high2 Ų253.1 Ų53.11%0.0128%0.275CS..Hα-helixtrans-76.3-34.5174.3-57.4-59.6000111.9L311 Y337 I340 D344 V345 E346 H350 S351 H352 T363 Y366 W398L311-I348 HydrophobicContact CD1-CG2 4.41Å; Y337-I348 HydrophobicContact CE1-CG2 4.22Å; I340-I348 HydrophobicContact CD1-CB 3.97Å; I340-I348 HydrophobicContact CD1-CG1 3.95Å; I340-I348 HydrophobicContact CD1-CG2 3.64Å; I340-I348 HydrophobicContact CG1-CG1 4.44Å; I340-I348 HydrophobicContact CG2-CG1 4.05Å; D344-I348 PolarHBondContact O-N 2.99Å; V345-I348 PolarHBondContact O-N 3.29Å; E346-I348 VanDerWaalsContact C-N 3.33Å; E346-I348 PolarHBondContact O-N 3.46Å; I348-H350 VanDerWaalsContact C-N 3.34Å; I348-H350 PolarHBondContact O-N 3.47Å; I348-S351 PolarHBondContact O-N 3.47Å; I348-H352 VanDerWaalsContact O-CB 3.26Å; I348-H352 WeakPolarHBondContact O-CB 3.33Å; I348-H352 PolarHBondContact O-N 3.24Å; I348-T363 HydrophobicContact CD1-CG2 3.7Å; I348-Y366 HydrophobicContact CD1-CD1 3.67Å; I348-Y366 HydrophobicContact CD1-CD2 4.27Å; I348-Y366 HydrophobicContact CD1-CE1 4.1Å; I348-Y366 HydrophobicContact CD1-CG 3.75Å; I348-Y366 HydrophobicContact CG1-CD2 4.39Å; I348-Y366 HydrophobicContact CG1-CG 4.22Å; I348-W398 HydrophobicContact CG2-CH2 4.32Å
349R98.3Very high96.6Very high125 Ų12549.6 Ų49.647%0.47226%0.264SS..Hα-helixtrans-60.5-42.8172.9-164.8-171.77084.43.8111.6V345 E346 H352 L353V345-R349 WeakPolarHBondContact O-CB 3.22Å; V345-R349 PolarHBondContact O-N 2.76Å; E346-R349 PolarHBondContact O-N 3.44Å; E346-R349 IonicContact OE1-CZ 2.67Å; E346-R349 IonicContact OE1-NE 3.11Å; E346-R349 IonicContact OE1-NH2 3.82Å; E346-R349 PolarHBondContact OE1-NH2 3.26Å; E346-R349 IonicContact OE2-CZ 3.8Å; E346-R349 IonicContact OE2-NE 3.22Å; E346-R349 PolarHBondContact OE2-NE 2.87Å; E346-R349 IonicContact OE2-NH2 2.8Å; E346-R349 PolarHBondContact OE2-NH2 2.7Å; R349-H352 PolarHBondContact O-N 3.5Å; R349-L353 PolarHBondContact O-N 3.34Å
350H97.3Very high96.4Very high108 Ų10849.9 Ų49.950%0.527%0.265SS..Hα-helixtrans-64.6-47.2173.2-169.584.4000111.9E346 I348 H352 L353 D354E346-H350 PolarHBondContact O-N 2.95Å; I348-H350 VanDerWaalsContact C-N 3.34Å; I348-H350 PolarHBondContact O-N 3.47Å; H350-H352 VanDerWaalsContact C-N 3.25Å; H350-H352 PolarHBondContact O-N 3.48Å; H350-L353 WeakPolarHBondContact O-CB 3.39Å; H350-L353 PolarHBondContact O-N 2.89Å; H350-L353 VanDerWaalsContact O-N 3.12Å; H350-D354 PolarHBondContact O-N 3.16Å
351S97.8Very high96.2Very high7 Ų749.7 Ų49.75%0.04926%0.264CS..Hα-helixtrans-58.5-37.6176.5-54.30000112.3G347 I348 D354 L355 C361G347-S351 WeakPolarHBondContact O-CB 3.41Å; G347-S351 PolarHBondContact O-N 2.96Å; G347-S351 VanDerWaalsContact O-N 3.08Å; G347-S351 PolarHBondContact O-OG 3.03Å; I348-S351 PolarHBondContact O-N 3.47Å; S351-D354 PolarHBondContact O-N 3.28Å; S351-L355 WeakPolarHBondContact O-CB 3.29Å; S351-L355 PolarHBondContact O-N 3.12Å; S351-C361 PolarHBondContact O-SG 3Å; S351-C361 VanDerWaalsContact O-SG 3.36Å
352H98Very high96.1Very high19 Ų1949.2 Ų49.29%0.08826%0.264CS..Hα-helixtrans-69-39.9176.3-174.8-160.9000111.9M309 L311 Y337 I348 R349 H350 D354 L355 L356M309-H352 PolarHBondContact O-NE2 2.65Å; L311-H352 HydrophobicContact CD1-CB 4.22Å; Y337-H352 PolarHBondContact OH-ND1 3.39Å; I348-H352 VanDerWaalsContact O-CB 3.26Å; I348-H352 WeakPolarHBondContact O-CB 3.33Å; I348-H352 PolarHBondContact O-N 3.24Å; R349-H352 PolarHBondContact O-N 3.5Å; H350-H352 VanDerWaalsContact C-N 3.25Å; H350-H352 PolarHBondContact O-N 3.48Å; H352-D354 PolarHBondContact O-N 3.13Å; H352-L355 WeakPolarHBondContact O-CB 3.06Å; H352-L355 PolarHBondContact O-N 2.71Å; H352-L356 VanDerWaalsContact O-CG 3.31Å; H352-L356 WeakPolarHBondContact O-CG 3.46Å; H352-L356 PolarHBondContact O-N 2.85Å
353L97.1Very high96.1Very high84 Ų8445.4 Ų45.444%0.4423%0.232SC..Hα-helixtrans-62.5-41.9174-177.759.9000111.9R349 H350 L356 N357R349-L353 PolarHBondContact O-N 3.34Å; H350-L353 WeakPolarHBondContact O-CB 3.39Å; H350-L353 PolarHBondContact O-N 2.89Å; H350-L353 VanDerWaalsContact O-N 3.12Å; L353-L356 PolarHBondContact O-N 3.07Å; L353-N357 WeakPolarHBondContact CD1-ND2 3.44Å; L353-N357 WeakPolarHBondContact O-CB 3.19Å; L353-N357 VanDerWaalsContact O-CG 3.28Å; L353-N357 PolarHBondContact O-N 3.37Å; L353-N357 PolarHBondContact O-ND2 2.94Å
354D95.2Very high95.9Very high17 Ų1745.5 Ų45.59%0.09123%0.23CC..Hα-helixtrans-59-46.6171.9-96.5-34.2000111.9F234 H350 S351 H352 L356 N357 K358 C361F234-D354 HydrophobicContact CD2-CB 4.29Å; F234-D354 WeakPolarHBondContact CD2-OD2 3.44Å; H350-D354 PolarHBondContact O-N 3.16Å; S351-D354 PolarHBondContact O-N 3.28Å; H352-D354 PolarHBondContact O-N 3.13Å; D354-L356 VanDerWaalsContact C-N 3.33Å; D354-L356 PolarHBondContact O-N 2.89Å; D354-N357 PolarHBondContact O-N 3.1Å; D354-K358 WeakPolarHBondContact O-CB 3.41Å; D354-K358 PolarHBondContact O-N 3.3Å; D354-K358 WeakPolarHBondContact OD1-CD 3.27Å; D354-K358 VanDerWaalsContact OD1-CE 3.27Å; D354-K358 WeakPolarHBondContact OD1-CE 3.17Å; D354-K358 IonicContact OD1-NZ 3.78Å; D354-K358 PolarHBondContact OD1-NZ 3.11Å; D354-C361 HydrophobicContact CB-CB 4.32Å
355L95Very high95.9Very high0 Ų048.8 Ų48.80%024%0.241CC..Hα-helixtrans-57.6-43.8177.6-179.760000112.3S351 H352 G359 C361 A382 I384 I396 W398S351-L355 WeakPolarHBondContact O-CB 3.29Å; S351-L355 PolarHBondContact O-N 3.12Å; H352-L355 WeakPolarHBondContact O-CB 3.06Å; H352-L355 PolarHBondContact O-N 2.71Å; L355-G359 CarbonylContact O-C 3.46Å; L355-G359 WeakPolarHBondContact O-CA 3.29Å; L355-G359 PolarHBondContact O-N 3.14Å; L355-C361 HydrophobicContact CB-CB 4.13Å; L355-A382 HydrophobicContact CD1-CB 4.02Å; L355-A382 HydrophobicContact CD2-CB 3.7Å; L355-A382 HydrophobicContact CG-CB 4.49Å; L355-I384 HydrophobicContact CD1-CG1 4.25Å; L355-I384 HydrophobicContact CG-CG1 4.39Å; L355-I384 WeakPolarHBondContact O-CD1 3.42Å; L355-I396 HydrophobicContact CD2-CD1 3.66Å; L355-I396 HydrophobicContact CD2-CG1 4.02Å; L355-I396 HydrophobicContact CD2-CG2 3.8Å; L355-I396 HydrophobicContact CG-CD1 4.34Å; L355-W398 HydrophobicContact CD2-CE3 4.33Å; L355-W398 HydrophobicContact CD2-CZ3 4.03Å
356L94.2Very high95.9Very high75 Ų7546.7 Ų46.739%0.39323%0.228SC..Hα-helixtrans-66.7-42177.6-66.9174.3000112.2M309 H352 L353 D354M309-L356 HydrophobicContact CE-CD2 3.4Å; M309-L356 VanDerWaalsContact CE-CD2 3.4Å; H352-L356 VanDerWaalsContact O-CG 3.31Å; H352-L356 WeakPolarHBondContact O-CG 3.46Å; H352-L356 PolarHBondContact O-N 2.85Å; L353-L356 PolarHBondContact O-N 3.07Å; D354-L356 VanDerWaalsContact C-N 3.33Å; D354-L356 PolarHBondContact O-N 2.89Å
357N93.9Very high96Very high94 Ų9443.1 Ų43.150%0.50321%0.21SC..Hα-helixtrans-79.3-34.2-175.3-72.2-24.9000114.1R236 L353 D354R236-N357 PolarHBondContact NH1-O 3.49Å; L353-N357 WeakPolarHBondContact CD1-ND2 3.44Å; L353-N357 WeakPolarHBondContact O-CB 3.19Å; L353-N357 VanDerWaalsContact O-CG 3.28Å; L353-N357 PolarHBondContact O-N 3.37Å; L353-N357 PolarHBondContact O-ND2 2.94Å; D354-N357 PolarHBondContact O-N 3.1Å
358K93.2Very high96.1Very high18 Ų1842.1 Ų42.18%0.07820%0.2CC..Hα-helixtrans-114.2-19.3-169.7-61.8166.4-175.4169.40112.9E175 F234 V255 D354E175-K358 IonicContact OE1-NZ 3.54Å; E175-K358 PolarHBondContact OE1-NZ 3.22Å; E175-K358 WeakPolarHBondContact OE2-CE 3.47Å; E175-K358 IonicContact OE2-NZ 3.95Å; E175-K358 PolarHBondContact OE2-NZ 3.08Å; F234-K358 HydrophobicContact CB-CD 3.81Å; F234-K358 WeakPolarHBondContact O-CD 3.2Å; F234-K358 WeakPolarHBondContact O-CE 3.22Å; F234-K358 PolarHBondContact O-NZ 3.02Å; V255-K358 HydrophobicContact CG2-CB 4.5Å; V255-K358 WeakPolarHBondContact CG2-O 3.32Å; D354-K358 WeakPolarHBondContact O-CB 3.41Å; D354-K358 PolarHBondContact O-N 3.3Å; D354-K358 WeakPolarHBondContact OD1-CD 3.27Å; D354-K358 VanDerWaalsContact OD1-CE 3.27Å; D354-K358 WeakPolarHBondContact OD1-CE 3.17Å; D354-K358 IonicContact OD1-NZ 3.78Å; D354-K358 PolarHBondContact OD1-NZ 3.11Å
359G91Very high96Very high20 Ų2042.8 Ų42.821%0.20620%0.203CC..SBendtrans96-16.3173.600000115.3L355 T383 I384L355-G359 CarbonylContact O-C 3.46Å; L355-G359 WeakPolarHBondContact O-CA 3.29Å; L355-G359 PolarHBondContact O-N 3.14Å; G359-T383 WeakPolarHBondContact O-CA 3.35Å; G359-I384 PolarHBondContact O-N 3.33Å
360Q92.6Very high95.9Very high22 Ų2237 Ų3710%0.10318%0.182CC..EExtended strand (participates in β ladder)trans-145.7147.4177.1-49.3-169.4-103.600109.4V255 L288 P289 A382 T383V255-Q360 HydrophobicContact CB-CB 4.02Å; V255-Q360 HydrophobicContact CB-CG 4.28Å; V255-Q360 HydrophobicContact CG1-CB 4.24Å; V255-Q360 HydrophobicContact CG2-CB 3.93Å; V255-Q360 HydrophobicContact CG2-CG 3.92Å; L288-Q360 HydrophobicContact CB-CB 4.36Å; L288-Q360 HydrophobicContact CD1-CB 3.65Å; P289-Q360 PolarHBondContact O-NE2 2.91Å; P289-Q360 VanDerWaalsContact O-NE2 3.11Å; Q360-A382 VanDerWaalsContact CA-O 3.32Å; Q360-A382 WeakPolarHBondContact CA-O 3.45Å; Q360-T383 HydrophobicContact CG-CG2 3.78Å; Q360-T383 WeakPolarHBondContact CG-OG1 3.43Å; Q360-T383 PolarHBondContact NE2-OG1 3.27Å
361C94.4Very high95.8Very high0 Ų036.4 Ų36.40%018%0.177CC..EExtended strand (participates in β ladder)trans-148.6168.7170.779.10000111.3F234 S351 D354 L355 A382F234-C361 HydrophobicContact CE2-CB 4.41Å; F234-C361 HydrophobicContact CZ-CB 4.44Å; S351-C361 PolarHBondContact O-SG 3Å; S351-C361 VanDerWaalsContact O-SG 3.36Å; D354-C361 HydrophobicContact CB-CB 4.32Å; L355-C361 HydrophobicContact CB-CB 4.13Å; C361-A382 PolarHBondContact N-O 3.27Å; C361-A382 PolarHBondContact O-N 2.96Å
362V95.5Very high95.4Very high23 Ų2340.7 Ų40.714%0.13920%0.2CC..EExtended strand (participates in β ladder)trans-128132.1164.4179.40000107.6F234 L288 Q379 S380F234-V362 HydrophobicContact CE1-CB 4.24Å; F234-V362 HydrophobicContact CE1-CG2 4.45Å; F234-V362 HydrophobicContact CZ-CB 4.06Å; F234-V362 VanDerWaalsContact CZ-O 3.3Å; F234-V362 WeakPolarHBondContact CZ-O 3.39Å; L288-V362 HydrophobicContact CD1-CG2 4.3Å; L288-V362 HydrophobicContact CD2-CG2 3.54Å; V362-Q379 HydrophobicContact CG1-CG 4.06Å; V362-S380 WeakPolarHBondContact CA-O 3.47Å
363T97.1Very high95.1Very high4 Ų439.8 Ų39.83%0.02520%0.195CC..PPolyproline II helixtrans-71.9163.2-178.668.20000111.6I348 Y366 Q379 S380 W398I348-T363 HydrophobicContact CD1-CG2 3.7Å; T363-Y366 HydrophobicContact CG2-CE1 4.29Å; T363-Q379 WeakPolarHBondContact O-CG 3.3Å; T363-Q379 PolarHBondContact O-NE2 2.99Å; T363-S380 PolarHBondContact N-O 2.86Å; T363-S380 PolarHBondContact OG1-N 2.83Å; T363-W398 HydrophobicContact CG2-CH2 3.82Å; T363-W398 HydrophobicContact CG2-CZ2 3.7Å
364K95.2Very high95.1Very high141 Ų14135.8 Ų35.861%0.61318%0.175SC*.PPolyproline II helixtrans-63.3169152.7-63.8179.6-177.6176.90109.7Y366K364-Y366 PolarHBondContact O-N 3.21Å
365Y97.9Very high95.3Very high95 Ų9535.8 Ų35.837%0.37317%0.174SC..PPolyproline II helixtrans-62.2132.7164.7-52.3-37.8000109I378 Q379 L403 N767Y365-I378 WeakPolarHBondContact CA-O 3.27Å; Y365-Q379 HydrophobicContact CD1-CB 3.95Å; Y365-Q379 HydrophobicContact CD1-CG 4.16Å; Y365-Q379 HydrophobicContact CE1-CB 4.21Å; Y365-Q379 HydrophobicContact CE1-CG 4.31Å; Y365-L403 HydrophobicContact CD1-CD1 3.37Å; Y365-L403 HydrophobicContact CE1-CD1 3.89Å; Y365-L403 HydrophobicContact CG-CD1 3.88Å; Y365-N767 HydrophobicContact CE2-CB 4.06Å
366Y98.6Very high95.4Very high3 Ų335.8 Ų35.81%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-142160.1-179.174.5-84.4000111.3I340 I348 T363 K364 W368 W377 I378 S380 W398I340-Y366 HydrophobicContact CG1-CD2 4.06Å; I340-Y366 HydrophobicContact CG1-CE2 3.95Å; I340-Y366 HydrophobicContact CG2-CD2 4.42Å; I348-Y366 HydrophobicContact CD1-CD1 3.67Å; I348-Y366 HydrophobicContact CD1-CD2 4.27Å; I348-Y366 HydrophobicContact CD1-CE1 4.1Å; I348-Y366 HydrophobicContact CD1-CG 3.75Å; I348-Y366 HydrophobicContact CG1-CD2 4.39Å; I348-Y366 HydrophobicContact CG1-CG 4.22Å; T363-Y366 HydrophobicContact CG2-CE1 4.29Å; K364-Y366 PolarHBondContact O-N 3.21Å; Y366-W368 HydrophobicContact CE2-CB 4.5Å; Y366-W368 AromaticContact CE2-CE3 3.85Å; Y366-W368 HydrophobicContact CE2-CE3 3.85Å; Y366-W368 WeakPolarHBondContact OH-CZ3 3.19Å; Y366-W377 WeakPolarHBondContact O-CA 3.46Å; Y366-I378 HydrophobicContact CD1-CB 4.43Å; Y366-I378 WeakPolarHBondContact CD1-O 3.49Å; Y366-I378 HydrophobicContact CE1-CB 4.05Å; Y366-I378 HydrophobicContact CE1-CG2 3.75Å; Y366-I378 PolarHBondContact N-O 3.31Å; Y366-I378 PolarHBondContact O-N 3.23Å; Y366-S380 PolarHBondContact OH-OG 3.22Å; Y366-W398 PolarHBondContact OH-NE1 3.25Å
367R98.5Very high95.6Very high28 Ų2835.7 Ų35.711%0.10617%0.168CC..EExtended strand (participates in β ladder)trans-99.7120.7-177.2-66.5162.5-77.8-171.5-10.1110.5H341 E343 D344 Y375 I376 W377H341-R367 HydrophobicContact CB-CB 3.65Å; H341-R367 PolarHBondContact CE1-NH1 3.27Å; H341-R367 VanDerWaalsContact CE1-NH1 3.31Å; H341-R367 PolarHBondContact N-O 2.94Å; H341-R367 VanDerWaalsContact ND1-CZ 3.25Å; H341-R367 PolarHBondContact ND1-NH1 2.85Å; H341-R367 PolarHBondContact ND1-NH2 2.89Å; E343-R367 IonicContact OE2-CZ 3.81Å; E343-R367 IonicContact OE2-NH1 2.68Å; E343-R367 PolarHBondContact OE2-NH1 3.36Å; E343-R367 IonicContact OE2-NH2 2.68Å; E343-R367 PolarHBondContact OE2-NH2 2.94Å; D344-R367 VanDerWaalsContact CG-NH2 3.32Å; D344-R367 IonicContact OD1-CZ 3.94Å; D344-R367 IonicContact OD1-NE 2.82Å; D344-R367 IonicContact OD1-NH2 2.65Å; D344-R367 PolarHBondContact OD1-NH2 3.46Å; D344-R367 WeakPolarHBondContact OD2-CB 3.27Å; D344-R367 IonicContact OD2-CZ 2.73Å; D344-R367 PolarHBondContact OD2-N 2.72Å; D344-R367 IonicContact OD2-NE 2.7Å; D344-R367 PolarHBondContact OD2-NE 2.67Å; D344-R367 IonicContact OD2-NH2 2.69Å; D344-R367 PolarHBondContact OD2-NH2 3.35Å; R367-Y375 HydrophobicContact CB-CD1 4.25Å; R367-Y375 HydrophobicContact CB-CD2 3.69Å; R367-Y375 HydrophobicContact CB-CE2 4.34Å; R367-Y375 HydrophobicContact CB-CG 3.68Å; R367-Y375 HydrophobicContact CG-CD1 4.28Å; R367-Y375 HydrophobicContact CG-CD2 3.46Å; R367-Y375 VanDerWaalsContact CG-CD2 3.46Å; R367-Y375 HydrophobicContact CG-CE1 4.37Å; R367-Y375 HydrophobicContact CG-CE2 3.6Å; R367-Y375 HydrophobicContact CG-CG 3.86Å; R367-I376 CarbonylContact C-O 3.57Å; R367-I376 WeakPolarHBondContact CA-O 3.46Å; R367-W377 HydrophobicContact CG-CD2 3.82Å; R367-W377 HydrophobicContact CG-CE3 3.74Å; R367-W377 HydrophobicContact CG-CH2 3.7Å; R367-W377 HydrophobicContact CG-CZ2 3.76Å; R367-W377 HydrophobicContact CG-CZ3 3.68Å
368W98.1Very high95.8Very high0 Ų031.2 Ų31.20%014%0.144CC..EExtended strand (participates in β ladder)trans-98.1111173.8-167.3-57.8000109.4I313 M324 F339 Y366 Q370 Y375 I376 I378I313-W368 HydrophobicContact CD1-CH2 4.32Å; I313-W368 HydrophobicContact CD1-CZ2 4.38Å; M324-W368 HydrophobicContact CE-CD2 3.98Å; M324-W368 HydrophobicContact CE-CG 3.93Å; M324-W368 HydrophobicContact SD-CG 4.23Å; F339-W368 HydrophobicContact CB-CD2 4.24Å; F339-W368 HydrophobicContact CB-CG 4.35Å; F339-W368 HydrophobicContact CB-CZ2 4.13Å; F339-W368 HydrophobicContact CD2-CZ2 4.1Å; F339-W368 HydrophobicContact CG-CZ2 4.21Å; F339-W368 AromaticContact CG-NE1 3.79Å; F339-W368 CarbonylContact O-C 3.45Å; F339-W368 WeakPolarHBondContact O-CA 3.3Å; Y366-W368 HydrophobicContact CE2-CB 4.5Å; Y366-W368 AromaticContact CE2-CE3 3.85Å; Y366-W368 HydrophobicContact CE2-CE3 3.85Å; Y366-W368 WeakPolarHBondContact OH-CZ3 3.19Å; W368-Q370 PolarHBondContact O-NE2 2.93Å; W368-Q370 VanDerWaalsContact O-NE2 3.13Å; W368-Y375 CarbonylContact O-C 3.54Å; W368-Y375 VanDerWaalsContact O-CA 3.25Å; W368-Y375 WeakPolarHBondContact O-CA 3.35Å; W368-Y375 WeakPolarHBondContact O-CB 3.44Å; W368-I376 HydrophobicContact CB-CG1 4.3Å; W368-I376 PolarHBondContact N-O 2.97Å; W368-I376 PolarHBondContact O-N 2.94Å; W368-I378 HydrophobicContact CB-CD1 3.6Å; W368-I378 HydrophobicContact CB-CG1 4.25Å; W368-I378 HydrophobicContact CD2-CD1 4.05Å; W368-I378 HydrophobicContact CE3-CD1 3.79Å; W368-I378 HydrophobicContact CG-CD1 4Å
369M97.6Very high96Very high16 Ų1632.8 Ų32.88%0.07915%0.152CC..EExtended strand (participates in β ladder)trans-64.1134.4-175.8-61.5-170.8-64.400111.4H338 F339 H341 G374 M413 D414H338-M369 WeakPolarHBondContact O-CE 3.29Å; F339-M369 PolarHBondContact O-N 3.49Å; H341-M369 HydrophobicContact CB-CG 4.37Å; M369-G374 WeakPolarHBondContact CA-O 3.32Å; M369-M413 HydrophobicContact SD-CB 4.27Å; M369-D414 HydrophobicContact CE-CB 3.73Å; M369-D414 HydrophobicContact SD-CB 3.85Å
370Q96.1Very high96.2Very high4 Ų431.9 Ų31.92%0.01914%0.142CC..  trans-84.8172.9-179.4-63.2-55.7-63.700111.7M324 W368 N372 G374 I376 Q417M324-Q370 PolarHBondContact SD-NE2 3.3Å; W368-Q370 PolarHBondContact O-NE2 2.93Å; W368-Q370 VanDerWaalsContact O-NE2 3.13Å; Q370-N372 VanDerWaalsContact C-N 3.32Å; Q370-N372 PolarHBondContact O-N 2.91Å; Q370-G374 PolarHBondContact N-O 2.93Å; Q370-I376 HydrophobicContact CG-CG2 4.33Å; Q370-Q417 WeakPolarHBondContact O-CG 3.29Å; Q370-Q417 PolarHBondContact O-NE2 2.76Å
371K93.8Very high96.2Very high94 Ų9431.6 Ų31.641%0.40914%0.142SC..SBendtrans-68.2-30.3179.4-169.3168.6-179.3165.60113.7D325 L326 D330D325-K371 HydrophobicContact CB-CB 3.81Å; D325-K371 VanDerWaalsContact O-CB 3.24Å; D325-K371 WeakPolarHBondContact O-CB 3.15Å; D325-K371 VanDerWaalsContact O-CD 3.23Å; D325-K371 WeakPolarHBondContact O-CD 3.41Å; L326-K371 HydrophobicContact CD2-CB 3.78Å; L326-K371 HydrophobicContact CD2-CD 4.28Å; L326-K371 HydrophobicContact CD2-CG 4.2Å; L326-K371 HydrophobicContact CG-CB 4.14Å; D330-K371 IonicContact OD1-NZ 2.7Å; D330-K371 PolarHBondContact OD1-NZ 2.8Å; D330-K371 IonicContact OD2-NZ 2.71Å
372N89.3Confident96.2Very high97 Ų9731.6 Ų31.652%0.51914%0.142SC..SBendtrans-104.9-7.3-163.6-59.7-32.6000114.4D325 Q370D325-N372 WeakPolarHBondContact CB-ND2 3.32Å; D325-N372 PolarHBondContact OD2-ND2 2.59Å; Q370-N372 VanDerWaalsContact C-N 3.32Å; Q370-N372 PolarHBondContact O-N 2.91Å
373G93.8Very high96Very high0 Ų031 Ų310%014%0.139CC..SBendtrans127.9159.3-164.800000110.9K409 T411G373-K409 CarbonylContact C-O 3.47Å; G373-K409 WeakPolarHBondContact CA-O 3.49Å; G373-T411 CarbonylContact C-O 3.58Å; G373-T411 WeakPolarHBondContact CA-O 3.47Å
374G96.9Very high95.6Very high0 Ų032.6 Ų32.60%015%0.147CC..SBendtrans63.6-161.4179.800000115.1M369 Q370 E407 Y408 T411 Q417M369-G374 WeakPolarHBondContact CA-O 3.32Å; Q370-G374 PolarHBondContact N-O 2.93Å; G374-E407 WeakPolarHBondContact CA-O 3.27Å; G374-Y408 WeakPolarHBondContact CA-O 3.49Å; G374-Y408 PolarHBondContact N-O 2.87Å; G374-T411 PolarHBondContact N-O 3.38Å; G374-Q417 PolarHBondContact O-NE2 3.19Å
375Y97.6Very high95.1Very high18 Ų1826.9 Ų26.97%0.07113%0.126CC..EExtended strand (participates in β ladder)trans-154.4172.3-172.861.2-104.3000112.6R367 W368 W377 P406 E407 Y408R367-Y375 HydrophobicContact CB-CD1 4.25Å; R367-Y375 HydrophobicContact CB-CD2 3.69Å; R367-Y375 HydrophobicContact CB-CE2 4.34Å; R367-Y375 HydrophobicContact CB-CG 3.68Å; R367-Y375 HydrophobicContact CG-CD1 4.28Å; R367-Y375 HydrophobicContact CG-CD2 3.46Å; R367-Y375 VanDerWaalsContact CG-CD2 3.46Å; R367-Y375 HydrophobicContact CG-CE1 4.37Å; R367-Y375 HydrophobicContact CG-CE2 3.6Å; R367-Y375 HydrophobicContact CG-CG 3.86Å; W368-Y375 CarbonylContact O-C 3.54Å; W368-Y375 VanDerWaalsContact O-CA 3.25Å; W368-Y375 WeakPolarHBondContact O-CA 3.35Å; W368-Y375 WeakPolarHBondContact O-CB 3.44Å; Y375-W377 AromaticContact CE2-CD1 3.94Å; Y375-W377 AromaticContact CE2-CE2 3.99Å; Y375-W377 HydrophobicContact CE2-CZ2 4.49Å; Y375-W377 AromaticContact CE2-NE1 3.54Å; Y375-P406 WeakPolarHBondContact O-CA 3.32Å; Y375-E407 HydrophobicContact CD2-CB 4.27Å; Y375-E407 HydrophobicContact CE2-CB 3.67Å; Y375-E407 HydrophobicContact CE2-CG 4.24Å; Y375-E407 WeakPolarHBondContact CE2-OE2 3.42Å; Y375-E407 VanDerWaalsContact CZ-OE2 3.31Å; Y375-E407 PolarHBondContact N-O 3.46Å; Y375-E407 PolarHBondContact O-N 3.35Å; Y375-E407 PolarHBondContact OH-OE2 2.99Å; Y375-Y408 AromaticContact CE1-CD2 3.91Å; Y375-Y408 HydrophobicContact CE1-CD2 3.91Å; Y375-Y408 AromaticContact CZ-CD2 3.88Å; Y375-Y408 WeakPolarHBondContact OH-CD2 3.5Å; Y375-Y408 WeakPolarHBondContact OH-CE2 3.4Å
376I97.6Very high94.3Very high0 Ų025.9 Ų25.90%013%0.126CC..EExtended strand (participates in β ladder)trans-121153.3160.167.2172.2000111.3M324 R367 W368 Q370 I378 L402 P406M324-I376 HydrophobicContact CE-CD1 3.97Å; M324-I376 HydrophobicContact CG-CD1 3.92Å; M324-I376 HydrophobicContact SD-CD1 4.37Å; R367-I376 CarbonylContact C-O 3.57Å; R367-I376 WeakPolarHBondContact CA-O 3.46Å; W368-I376 HydrophobicContact CB-CG1 4.3Å; W368-I376 PolarHBondContact N-O 2.97Å; W368-I376 PolarHBondContact O-N 2.94Å; Q370-I376 HydrophobicContact CG-CG2 4.33Å; I376-I378 HydrophobicContact CD1-CD1 4.05Å; I376-I378 HydrophobicContact CD1-CG1 4.13Å; I376-I378 HydrophobicContact CG1-CD1 4.11Å; I376-I378 HydrophobicContact CG1-CG1 4Å; I376-L402 HydrophobicContact CD1-CD1 3.69Å; I376-L402 HydrophobicContact CD1-CD2 3.94Å; I376-L402 HydrophobicContact CD1-CG 3.74Å; I376-P406 HydrophobicContact CG2-CB 4.26Å; I376-P406 HydrophobicContact CG2-CG 3.83Å
377W98.3Very high93.1Very high72 Ų7228.1 Ų28.127%0.27314%0.139SC..EExtended strand (participates in β ladder)trans-82.1133.3172.2-71.199.9000112Y366 R367 Y375 L403 S404 E407Y366-W377 WeakPolarHBondContact O-CA 3.46Å; R367-W377 HydrophobicContact CG-CD2 3.82Å; R367-W377 HydrophobicContact CG-CE3 3.74Å; R367-W377 HydrophobicContact CG-CH2 3.7Å; R367-W377 HydrophobicContact CG-CZ2 3.76Å; R367-W377 HydrophobicContact CG-CZ3 3.68Å; Y375-W377 AromaticContact CE2-CD1 3.94Å; Y375-W377 AromaticContact CE2-CE2 3.99Å; Y375-W377 HydrophobicContact CE2-CZ2 4.49Å; Y375-W377 AromaticContact CE2-NE1 3.54Å; W377-L403 HydrophobicContact CB-CB 3.81Å; W377-L403 HydrophobicContact CB-CD1 4.31Å; W377-L403 WeakPolarHBondContact O-CB 3.46Å; W377-L403 PolarHBondContact O-N 3.26Å; W377-S404 PolarHBondContact N-OG 3.37Å; W377-E407 PolarHBondContact NE1-OE1 3.49Å; W377-E407 PolarHBondContact NE1-OE2 3.18Å
378I98.1Very high91.8Very high0 Ų031.7 Ų31.70%017%0.174CC..EExtended strand (participates in β ladder)trans-133.4147.1179.4-62.4-174.1000109.9F303 M324 Y365 Y366 W368 I376 S380 N400 Y401F303-I378 HydrophobicContact CE1-CD1 4.34Å; F303-I378 HydrophobicContact CZ-CD1 4.45Å; M324-I378 HydrophobicContact CE-CD1 3.76Å; Y365-I378 WeakPolarHBondContact CA-O 3.27Å; Y366-I378 HydrophobicContact CD1-CB 4.43Å; Y366-I378 WeakPolarHBondContact CD1-O 3.49Å; Y366-I378 HydrophobicContact CE1-CB 4.05Å; Y366-I378 HydrophobicContact CE1-CG2 3.75Å; Y366-I378 PolarHBondContact N-O 3.31Å; Y366-I378 PolarHBondContact O-N 3.23Å; W368-I378 HydrophobicContact CB-CD1 3.6Å; W368-I378 HydrophobicContact CB-CG1 4.25Å; W368-I378 HydrophobicContact CD2-CD1 4.05Å; W368-I378 HydrophobicContact CE3-CD1 3.79Å; W368-I378 HydrophobicContact CG-CD1 4Å; I376-I378 HydrophobicContact CD1-CD1 4.05Å; I376-I378 HydrophobicContact CD1-CG1 4.13Å; I376-I378 HydrophobicContact CG1-CD1 4.11Å; I376-I378 HydrophobicContact CG1-CG1 4Å; I378-S380 WeakPolarHBondContact CG2-OG 3.49Å; I378-N400 HydrophobicContact CG2-CB 4Å; I378-Y401 WeakPolarHBondContact CA-O 3.44Å
379Q97.1Very high90.7Very high52 Ų5241.2 Ų41.224%0.24322%0.216CC..EExtended strand (participates in β ladder)trans-114.4145.8152.8-163.7171.926.300108.5V362 T363 Y365 Y401 L403V362-Q379 HydrophobicContact CG1-CG 4.06Å; T363-Q379 WeakPolarHBondContact O-CG 3.3Å; T363-Q379 PolarHBondContact O-NE2 2.99Å; Y365-Q379 HydrophobicContact CD1-CB 3.95Å; Y365-Q379 HydrophobicContact CD1-CG 4.16Å; Y365-Q379 HydrophobicContact CE1-CB 4.21Å; Y365-Q379 HydrophobicContact CE1-CG 4.31Å; Q379-Y401 PolarHBondContact N-O 3.29Å; Q379-Y401 WeakPolarHBondContact O-CB 3.43Å; Q379-Y401 WeakPolarHBondContact O-CD2 3.42Å; Q379-Y401 PolarHBondContact O-N 3.32Å; Q379-L403 HydrophobicContact CB-CD1 4.27Å
380S95.8Very high89.6Confident0 Ų044 Ų440%023%0.231CC..EExtended strand (participates in β ladder)trans-129139.4176.4-54.60000112.7V362 T363 Y366 I378 W398 V399 N400V362-S380 WeakPolarHBondContact CA-O 3.47Å; T363-S380 PolarHBondContact N-O 2.86Å; T363-S380 PolarHBondContact OG1-N 2.83Å; Y366-S380 PolarHBondContact OH-OG 3.22Å; I378-S380 WeakPolarHBondContact CG2-OG 3.49Å; S380-W398 PolarHBondContact OG-NE1 3.1Å; S380-W398 VanDerWaalsContact OG-NE1 3.14Å; S380-V399 CarbonylContact C-O 3.55Å; S380-V399 WeakPolarHBondContact CA-O 3.3Å; S380-V399 WeakPolarHBondContact CB-O 3.47Å; S380-N400 PolarHBondContact OG-OD1 3.28Å
381S93.6Very high88.6Confident16 Ų1647.1 Ų47.111%0.11226%0.257CS..EExtended strand (participates in β ladder)trans-103.3125.3170.3-176.10000108.5V399S381-V399 PolarHBondContact N-O 2.65Å; S381-V399 PolarHBondContact O-N 2.73Å
382A93.3Very high87.8Confident0 Ų049.6 Ų49.60%028%0.275CS..EExtended strand (participates in β ladder)trans-126146.1-171.100000111.8L355 Q360 C361 I396 I397 W398L355-A382 HydrophobicContact CD1-CB 4.02Å; L355-A382 HydrophobicContact CD2-CB 3.7Å; L355-A382 HydrophobicContact CG-CB 4.49Å; Q360-A382 VanDerWaalsContact CA-O 3.32Å; Q360-A382 WeakPolarHBondContact CA-O 3.45Å; C361-A382 PolarHBondContact N-O 3.27Å; C361-A382 PolarHBondContact O-N 2.96Å; A382-I396 HydrophobicContact CB-CG2 4.27Å; A382-I397 WeakPolarHBondContact CA-O 3.34Å; A382-W398 HydrophobicContact CB-CD2 4.02Å; A382-W398 HydrophobicContact CB-CE3 3.34Å; A382-W398 HydrophobicContact CB-CZ3 3.66Å
383T91.4Very high87.4Confident12 Ų1248.3 Ų48.37%0.07427%0.266CS..EExtended strand (participates in β ladder)trans-152.9138.1177.3-67.60000111.7P291 G359 Q360 A385 I396 I397P291-T383 VanDerWaalsContact CD-CG2 3.5Å; P291-T383 VanDerWaalsContact CG-CB 3.44Å; P291-T383 HydrophobicContact CG-CG2 3.55Å; G359-T383 WeakPolarHBondContact O-CA 3.35Å; Q360-T383 HydrophobicContact CG-CG2 3.78Å; Q360-T383 WeakPolarHBondContact CG-OG1 3.43Å; Q360-T383 PolarHBondContact NE2-OG1 3.27Å; T383-A385 PolarHBondContact O-N 3.32Å; T383-I396 WeakPolarHBondContact O-CA 3.38Å; T383-I397 PolarHBondContact N-O 3.37Å; T383-I397 PolarHBondContact O-N 3.45Å
384I90.1Very high87.1Confident36 Ų3653.5 Ų53.519%0.18529%0.289CS..EExtended strand (participates in β ladder)trans-70.9111.9170.4-56.5175.5000109.2M309 L355 G359 K394 N395 I396M309-I384 HydrophobicContact CE-CD1 3.76Å; M309-I384 HydrophobicContact CE-CG1 4.16Å; M309-I384 HydrophobicContact SD-CG2 4.36Å; L355-I384 HydrophobicContact CD1-CG1 4.25Å; L355-I384 HydrophobicContact CG-CG1 4.39Å; L355-I384 WeakPolarHBondContact O-CD1 3.42Å; G359-I384 PolarHBondContact O-N 3.33Å; I384-K394 HydrophobicContact CG2-CB 4.16Å; I384-K394 HydrophobicContact CG2-CD 4.49Å; I384-K394 HydrophobicContact CG2-CG 4.45Å; I384-N395 CarbonylContact C-O 3.47Å; I384-I396 HydrophobicContact CG1-CG1 4.06Å
385A84.6Confident86.8Confident22 Ų2254 Ų5418%0.18229%0.291CS..EExtended strand (participates in β ladder)trans-91.2126.7168.100000110.5T383 N395 I397T383-A385 PolarHBondContact O-N 3.32Å; A385-N395 PolarHBondContact N-O 2.98Å; A385-N395 PolarHBondContact O-N 3.16Å; A385-N395 PolarHBondContact O-ND2 3.09Å; A385-N395 VanDerWaalsContact O-O 3.09Å; A385-I397 HydrophobicContact CB-CD1 3.79Å; A385-I397 HydrophobicContact CB-CG1 3.92Å
386I80.4Confident86.5Confident73 Ų7353.2 Ų53.237%0.37429%0.288SS..EExtended strand (participates in β ladder)trans-95.1128.9173.5-57.1175.3000107.9I248 A388 A391 K394I248-I386 HydrophobicContact CD1-CB 4.38Å; I386-A388 PolarHBondContact O-N 2.91Å; I386-A391 HydrophobicContact CG2-CB 4.33Å; I386-K394 HydrophobicContact CG1-CG 4.48Å
387N73.1Confident86.3Confident50 Ų5053.9 Ų53.927%0.26729%0.291SS..EExtended strand (participates in β ladder)trans-66.8120.7176.6-176.7-11000110.5K389 N390 E393N387-K389 PolarHBondContact O-N 2.9Å; N387-K389 VanDerWaalsContact O-N 3.12Å; N387-K389 PolarHBondContact OD1-N 2.92Å; N387-N390 CarbonylContact O-C 3.51Å; N387-N390 PolarHBondContact O-N 3.48Å; N387-N390 VanDerWaalsContact O-O 3.07Å; N387-E393 HydrophobicContact CB-CB 4Å; N387-E393 HydrophobicContact CB-CG 4.48Å; N387-E393 PolarHBondContact N-O 3.36Å; N387-E393 PolarHBondContact ND2-OE2 3.2Å
388A71.3Confident86.1Confident104 Ų10450.4 Ų50.486%0.8628%0.278SS*.THydrogen-bonded Turntrans-62.5-18.4179.800000114.2I386I386-A388 PolarHBondContact O-N 2.91Å
389K75.7Confident85.8Confident200 Ų20050.9 Ų50.987%0.8728%0.281SS*.THydrogen-bonded Turntrans-90-22173.7-62.2-177.2-179.9179.80113.6N387N387-K389 PolarHBondContact O-N 2.9Å; N387-K389 VanDerWaalsContact O-N 3.12Å; N387-K389 PolarHBondContact OD1-N 2.92Å
390N74.6Confident85.7Confident75 Ų7548.4 Ų48.440%0.40127%0.269SS..EExtended strand (participates in β ladder)trans-149.497.7-177.3179.75.3000109.5N387 N392 E393N387-N390 CarbonylContact O-C 3.51Å; N387-N390 PolarHBondContact O-N 3.48Å; N387-N390 VanDerWaalsContact O-O 3.07Å; N390-N392 PolarHBondContact O-N 3.03Å; N390-N392 WeakPolarHBondContact OD1-CB 3.27Å; N390-N392 PolarHBondContact OD1-N 2.97Å; N390-E393 HydrophobicContact CB-CB 4.34Å; N390-E393 PolarHBondContact O-N 3.33Å
391A75.3Confident85.7Confident68 Ų6852.6 Ų52.656%0.56229%0.286SS*.EExtended strand (participates in β ladder)trans-62.2-15.4-17600000114.3I386I386-A391 HydrophobicContact CG2-CB 4.33Å
392N76.3Confident85.8Confident146 Ų14653 Ų5378%0.78129%0.286SS*.EExtended strand (participates in β ladder)trans-82.9-24176.2-61.1-8.7000112.2N390 K394N390-N392 PolarHBondContact O-N 3.03Å; N390-N392 WeakPolarHBondContact OD1-CB 3.27Å; N390-N392 PolarHBondContact OD1-N 2.97Å; N392-K394 PolarHBondContact O-N 3.23Å; N392-K394 VanDerWaalsContact O-N 3.14Å
393E81.4Confident85.9Confident71 Ų7157 Ų5733%0.33231%0.308SS..EExtended strand (participates in β ladder)trans-79.997.5175-169.6-160.2153.700110.1R306 N387 N390R306-E393 IonicContact CZ-OE1 2.78Å; R306-E393 IonicContact NH1-OE1 2.65Å; R306-E393 IonicContact NH2-OE1 3.94Å; R306-E393 PolarHBondContact NH2-OE1 3.43Å; N387-E393 HydrophobicContact CB-CB 4Å; N387-E393 HydrophobicContact CB-CG 4.48Å; N387-E393 PolarHBondContact N-O 3.36Å; N387-E393 PolarHBondContact ND2-OE2 3.2Å; N390-E393 HydrophobicContact CB-CB 4.34Å; N390-E393 PolarHBondContact O-N 3.33Å
394K86.4Confident86.1Confident109 Ų10957.4 Ų57.447%0.47431%0.311SS..EExtended strand (participates in β ladder)trans-99.3137.8171.6-61.1176.8-173.8170.90109.7M309 I384 I386 N392M309-K394 HydrophobicContact CG-CB 4.32Å; M309-K394 HydrophobicContact SD-CB 3.75Å; I384-K394 HydrophobicContact CG2-CB 4.16Å; I384-K394 HydrophobicContact CG2-CD 4.49Å; I384-K394 HydrophobicContact CG2-CG 4.45Å; I386-K394 HydrophobicContact CG1-CG 4.48Å; N392-K394 PolarHBondContact O-N 3.23Å; N392-K394 VanDerWaalsContact O-N 3.14Å
395N90.4Very high86.3Confident11 Ų1161.9 Ų61.96%0.05934%0.335CS..EExtended strand (participates in β ladder)trans-143158.2173.360107.3000108.6R306 I314 I384 A385R306-N395 HydrophobicContact CG-CB 4.34Å; R306-N395 PolarHBondContact NE-OD1 3Å; R306-N395 PolarHBondContact NH2-ND2 3.29Å; R306-N395 PolarHBondContact NH2-OD1 3.21Å; I314-N395 HydrophobicContact CD1-CB 4.47Å; I384-N395 CarbonylContact C-O 3.47Å; A385-N395 PolarHBondContact N-O 2.98Å; A385-N395 PolarHBondContact O-N 3.16Å; A385-N395 PolarHBondContact O-ND2 3.09Å; A385-N395 VanDerWaalsContact O-O 3.09Å
396I92.7Very high86.9Confident0 Ų063.6 Ų63.60%034%0.344CS..EExtended strand (participates in β ladder)trans-102.8126.3178.3-70.8159.3000108.4R306 V307 M309 L311 L355 A382 T383 I384 W398R306-I396 WeakPolarHBondContact CA-O 3.35Å; V307-I396 HydrophobicContact CG2-CB 3.62Å; V307-I396 HydrophobicContact CG2-CD1 4.47Å; V307-I396 HydrophobicContact CG2-CG2 3.7Å; V307-I396 PolarHBondContact N-O 3.36Å; V307-I396 PolarHBondContact O-N 2.86Å; M309-I396 HydrophobicContact CE-CD1 4.41Å; M309-I396 HydrophobicContact SD-CD1 4.24Å; M309-I396 HydrophobicContact SD-CG1 4.18Å; L311-I396 HydrophobicContact CD2-CD1 4.09Å; L355-I396 HydrophobicContact CD2-CD1 3.66Å; L355-I396 HydrophobicContact CD2-CG1 4.02Å; L355-I396 HydrophobicContact CD2-CG2 3.8Å; L355-I396 HydrophobicContact CG-CD1 4.34Å; A382-I396 HydrophobicContact CB-CG2 4.27Å; T383-I396 WeakPolarHBondContact O-CA 3.38Å; I384-I396 HydrophobicContact CG1-CG1 4.06Å; I396-W398 HydrophobicContact CG2-CB 4.33Å; I396-W398 HydrophobicContact CG2-CE3 4.01Å
397I92.1Very high87.7Confident14 Ų1463.1 Ų63.17%0.07234%0.341CS..EExtended strand (participates in β ladder)trans-85.3124.5163.1-58.4173.4000106.2I293 V304 A382 T383 A385 V399I293-I397 HydrophobicContact CB-CD1 4.23Å; V304-I397 HydrophobicContact CG1-CG2 4.05Å; A382-I397 WeakPolarHBondContact CA-O 3.34Å; T383-I397 PolarHBondContact N-O 3.37Å; T383-I397 PolarHBondContact O-N 3.45Å; A385-I397 HydrophobicContact CB-CD1 3.79Å; A385-I397 HydrophobicContact CB-CG1 3.92Å; I397-V399 HydrophobicContact CG2-CG2 4.1Å
398W93.8Very high88.8Confident0 Ų068.1 Ų68.10%036%0.357CS..EExtended strand (participates in β ladder)trans-124.8102.9-175.4-170-79.6000108T305 L311 I348 L355 T363 Y366 S380 A382 I396 N400T305-W398 PolarHBondContact N-O 3.08Å; T305-W398 PolarHBondContact O-N 2.78Å; T305-W398 PolarHBondContact OG1-O 3.01Å; T305-W398 VanDerWaalsContact OG1-O 3.1Å; L311-W398 HydrophobicContact CD1-CH2 4.47Å; L311-W398 HydrophobicContact CD1-CZ3 4.39Å; L311-W398 HydrophobicContact CD2-CE3 4.04Å; L311-W398 HydrophobicContact CD2-CZ3 3.86Å; I348-W398 HydrophobicContact CG2-CH2 4.32Å; L355-W398 HydrophobicContact CD2-CE3 4.33Å; L355-W398 HydrophobicContact CD2-CZ3 4.03Å; T363-W398 HydrophobicContact CG2-CH2 3.82Å; T363-W398 HydrophobicContact CG2-CZ2 3.7Å; Y366-W398 PolarHBondContact OH-NE1 3.25Å; S380-W398 PolarHBondContact OG-NE1 3.1Å; S380-W398 VanDerWaalsContact OG-NE1 3.14Å; A382-W398 HydrophobicContact CB-CD2 4.02Å; A382-W398 HydrophobicContact CB-CE3 3.34Å; A382-W398 HydrophobicContact CB-CZ3 3.66Å; I396-W398 HydrophobicContact CG2-CB 4.33Å; I396-W398 HydrophobicContact CG2-CE3 4.01Å; W398-N400 PolarHBondContact NE1-OD1 2.88Å; W398-N400 VanDerWaalsContact NE1-OD1 3.09Å; W398-N400 PolarHBondContact O-ND2 2.97Å
399V93.1Very high89.9Confident9 Ų968.3 Ų68.36%0.05534%0.338CS..EExtended strand (participates in β ladder)trans-95.6117.4-175.7-176.70000108.4M302 V304 S380 S381 I397 Y401M302-V399 HydrophobicContact CE-CG1 3.52Å; V304-V399 HydrophobicContact CG2-CG1 4.49Å; V304-V399 HydrophobicContact CG2-CG2 4.32Å; S380-V399 CarbonylContact C-O 3.55Å; S380-V399 WeakPolarHBondContact CA-O 3.3Å; S380-V399 WeakPolarHBondContact CB-O 3.47Å; S381-V399 PolarHBondContact N-O 2.65Å; S381-V399 PolarHBondContact O-N 2.73Å; I397-V399 HydrophobicContact CG2-CG2 4.1Å; V399-Y401 HydrophobicContact CB-CE2 4.46Å; V399-Y401 HydrophobicContact CG1-CE2 4.07Å
400N95.3Very high90.7Very high0 Ų064.8 Ų64.80%033%0.329CS..EExtended strand (participates in β ladder)trans-99.2130.2-176.2-51.5-78.6000110.4M302 F303 T305 I378 S380 W398M302-N400 VanDerWaalsContact CA-O 3.27Å; M302-N400 WeakPolarHBondContact CA-O 3.45Å; F303-N400 HydrophobicContact CD1-CB 3.9Å; F303-N400 HydrophobicContact CD2-CB 4.5Å; F303-N400 HydrophobicContact CE1-CB 3.49Å; F303-N400 VanDerWaalsContact CE1-CB 3.49Å; F303-N400 HydrophobicContact CE2-CB 4.15Å; F303-N400 VanDerWaalsContact CE2-ND2 3.27Å; F303-N400 WeakPolarHBondContact CE2-ND2 3.27Å; F303-N400 HydrophobicContact CG-CB 4.38Å; F303-N400 HydrophobicContact CZ-CB 3.62Å; F303-N400 PolarHBondContact N-O 3.47Å; F303-N400 VanDerWaalsContact N-O 3.15Å; F303-N400 WeakPolarHBondContact O-CB 3.39Å; F303-N400 PolarHBondContact O-N 3.32Å; F303-N400 PolarHBondContact O-ND2 2.86Å; F303-N400 VanDerWaalsContact O-ND2 3.1Å; T305-N400 PolarHBondContact OG1-ND2 2.8Å; T305-N400 VanDerWaalsContact OG1-ND2 3.12Å; I378-N400 HydrophobicContact CG2-CB 4Å; S380-N400 PolarHBondContact OG-OD1 3.28Å; W398-N400 PolarHBondContact NE1-OD1 2.88Å; W398-N400 VanDerWaalsContact NE1-OD1 3.09Å; W398-N400 PolarHBondContact O-ND2 2.97Å
401Y94.4Very high91.6Very high88 Ų8864.5 Ų64.535%0.34533%0.33SS..EExtended strand (participates in β ladder)trans-108.1120.5174.1-57.6-97.8000108.3M302 I378 Q379 V399M302-Y401 HydrophobicContact CE-CD1 3.88Å; M302-Y401 HydrophobicContact CE-CE1 3.35Å; M302-Y401 HydrophobicContact CG-CD1 3.78Å; M302-Y401 HydrophobicContact CG-CE1 4.22Å; M302-Y401 HydrophobicContact CG-CG 4.46Å; M302-Y401 HydrophobicContact SD-CD1 3.74Å; M302-Y401 HydrophobicContact SD-CE1 3.58Å; M302-Y401 VanDerWaalsContact SD-CE1 3.58Å; I378-Y401 WeakPolarHBondContact CA-O 3.44Å; Q379-Y401 PolarHBondContact N-O 3.29Å; Q379-Y401 WeakPolarHBondContact O-CB 3.43Å; Q379-Y401 WeakPolarHBondContact O-CD2 3.42Å; Q379-Y401 PolarHBondContact O-N 3.32Å; V399-Y401 HydrophobicContact CB-CE2 4.46Å; V399-Y401 HydrophobicContact CG1-CE2 4.07Å
402L95.1Very high92.5Very high24 Ų2464.3 Ų64.313%0.12632%0.323CS..EExtended strand (participates in β ladder)trans-76.5137.4177.4-115.680.2000111.1H301 F303 Y323 I376H301-L402 HydrophobicContact CB-CB 3.97Å; H301-L402 PolarHBondContact O-N 3.36Å; F303-L402 HydrophobicContact CD1-CD1 4.13Å; F303-L402 HydrophobicContact CE1-CD1 3.88Å; Y323-L402 HydrophobicContact CD1-CD2 4.15Å; Y323-L402 HydrophobicContact CD2-CD1 4.22Å; Y323-L402 HydrophobicContact CD2-CD2 4.49Å; Y323-L402 HydrophobicContact CG-CD1 4.31Å; Y323-L402 HydrophobicContact CG-CD2 3.86Å; I376-L402 HydrophobicContact CD1-CD1 3.69Å; I376-L402 HydrophobicContact CD1-CD2 3.94Å; I376-L402 HydrophobicContact CD1-CG 3.74Å
403L96.1Very high93.4Very high85 Ų8561.2 Ų61.245%0.44531%0.305SS..  trans-117.2-25.8-180-51.5175.1000112.9Y365 W377 Q379Y365-L403 HydrophobicContact CD1-CD1 3.37Å; Y365-L403 HydrophobicContact CE1-CD1 3.89Å; Y365-L403 HydrophobicContact CG-CD1 3.88Å; W377-L403 HydrophobicContact CB-CB 3.81Å; W377-L403 HydrophobicContact CB-CD1 4.31Å; W377-L403 WeakPolarHBondContact O-CB 3.46Å; W377-L403 PolarHBondContact O-N 3.26Å; Q379-L403 HydrophobicContact CB-CD1 4.27Å
404S96.3Very high94Very high20 Ų2060.7 Ų60.714%0.1430%0.304CS..  trans-138.7166.9179.881.30000113.1W377W377-S404 PolarHBondContact N-OG 3.37Å
405N95Very high94.3Very high130 Ų13060.6 Ų60.670%0.69531%0.308SS*.SBendtrans-80.8172.8158.2-65-33.2000109.9E407N405-E407 PolarHBondContact O-N 3.49Å
406P95.9Very high94.3Very high58 Ų5863.7 Ų63.738%0.37734%0.335SS..PPolyproline II helixtrans-55.3120.1175.8-30.438000114.5Y375 I376Y375-P406 WeakPolarHBondContact O-CA 3.32Å; I376-P406 HydrophobicContact CG2-CB 4.26Å; I376-P406 HydrophobicContact CG2-CG 3.83Å
407E97Very high94.3Very high64 Ų6464.4 Ų64.430%0.29934%0.339SS..BIsolated β-bridgetrans-102.4145.3173.9-69.5177.8-164.400110.1G374 Y375 W377 N405 K409G374-E407 WeakPolarHBondContact CA-O 3.27Å; Y375-E407 HydrophobicContact CD2-CB 4.27Å; Y375-E407 HydrophobicContact CE2-CB 3.67Å; Y375-E407 HydrophobicContact CE2-CG 4.24Å; Y375-E407 WeakPolarHBondContact CE2-OE2 3.42Å; Y375-E407 VanDerWaalsContact CZ-OE2 3.31Å; Y375-E407 PolarHBondContact N-O 3.46Å; Y375-E407 PolarHBondContact O-N 3.35Å; Y375-E407 PolarHBondContact OH-OE2 2.99Å; W377-E407 PolarHBondContact NE1-OE1 3.49Å; W377-E407 PolarHBondContact NE1-OE2 3.18Å; N405-E407 PolarHBondContact O-N 3.49Å; E407-K409 PolarHBondContact O-N 2.9Å
408Y96.3Very high94.2Very high155 Ų15567.8 Ų67.861%0.60836%0.357SS*.SBendtrans52.225176.9-57.1-79.6000116G374 Y375 D410 T411G374-Y408 WeakPolarHBondContact CA-O 3.49Å; G374-Y408 PolarHBondContact N-O 2.87Å; Y375-Y408 AromaticContact CE1-CD2 3.91Å; Y375-Y408 HydrophobicContact CE1-CD2 3.91Å; Y375-Y408 AromaticContact CZ-CD2 3.88Å; Y375-Y408 WeakPolarHBondContact OH-CD2 3.5Å; Y375-Y408 WeakPolarHBondContact OH-CE2 3.4Å; Y408-D410 PolarHBondContact O-N 2.84Å; Y408-T411 PolarHBondContact O-N 3.28Å
409K94Very high93.4Very high108 Ų10872.8 Ų72.847%0.4739%0.389SS..THydrogen-bonded Turntrans-46.5-28.3-177.453.3150.7-170.4118.50116.5G373 E407 T411G373-K409 CarbonylContact C-O 3.47Å; G373-K409 WeakPolarHBondContact CA-O 3.49Å; E407-K409 PolarHBondContact O-N 2.9Å; K409-T411 VanDerWaalsContact C-N 3.31Å
410D93.6Very high91.8Very high125 Ų12581.5 Ų81.567%0.66843%0.429SS*.THydrogen-bonded Turntrans-895.2-177.9-46-70.8000112.7Y408Y408-D410 PolarHBondContact O-N 2.84Å
411T93.5Very high90Very high69 Ų6985.8 Ų85.842%0.42345%0.451SS..SBendtrans-121.5114.5179.6-56.70000110.8G373 G374 Y408 K409 M413G373-T411 CarbonylContact C-O 3.58Å; G373-T411 WeakPolarHBondContact CA-O 3.47Å; G374-T411 PolarHBondContact N-O 3.38Å; Y408-T411 PolarHBondContact O-N 3.28Å; K409-T411 VanDerWaalsContact C-N 3.31Å; T411-M413 HydrophobicContact CG2-CE 3.73Å; T411-M413 HydrophobicContact CG2-SD 4.08Å
412P94.4Very high87.8Confident65 Ų6586.9 Ų86.942%0.42247%0.469SS..  trans-73.1134.4172.530-33.2000111.1Q417 L418P412-Q417 HydrophobicContact CB-CB 4.01Å; P412-L418 HydrophobicContact CB-CD2 3.84Å; P412-L418 HydrophobicContact CG-CD2 3.77Å
413M94.8Very high85.4Confident80 Ų8094.9 Ų94.939%0.39451%0.506SS..  trans-110.4-27.7-179.5-53.7-61.5179.300112.3M369 T411M369-M413 HydrophobicContact SD-CB 4.27Å; T411-M413 HydrophobicContact CG2-CE 3.73Å; T411-M413 HydrophobicContact CG2-SD 4.08Å
414D94.8Very high82.9Confident60 Ų6099 Ų9932%0.32152%0.52SS..SBendtrans-128.2156.6178.4-179.9-106.2000111.9M369 A416 Q417M369-D414 HydrophobicContact CE-CB 3.73Å; M369-D414 HydrophobicContact SD-CB 3.85Å; D414-A416 PolarHBondContact O-N 3.12Å; D414-A416 WeakPolarHBondContact OD1-CB 3.38Å; D414-A416 PolarHBondContact OD1-N 3.24Å; D414-Q417 WeakPolarHBondContact O-CB 3.23Å; D414-Q417 PolarHBondContact O-N 3.02Å
415I92.6Very high80Confident107 Ų107104 Ų10455%0.54955%0.55SS..G310 helixtrans-56.9-33.2177.9-168.1165.4000112.8Q417 L418 L421I415-Q417 PolarHBondContact O-N 2.86Å; I415-Q417 VanDerWaalsContact O-N 3.15Å; I415-L418 PolarHBondContact O-N 3.34Å; I415-L421 HydrophobicContact CD1-CD1 4.32Å; I415-L421 HydrophobicContact CD1-CD2 4.3Å; I415-L421 HydrophobicContact CG1-CD1 3.5Å; I415-L421 VanDerWaalsContact CG1-CD1 3.5Å; I415-L421 HydrophobicContact CG1-CD2 4.28Å; I415-L421 WeakPolarHBondContact O-CD1 3.45Å
416A89.2Confident77.5Confident77 Ų77103.7 Ų103.764%0.63656%0.558SS**G310 helixtrans-67.7-9.7177.700000114.5D414D414-A416 PolarHBondContact O-N 3.12Å; D414-A416 WeakPolarHBondContact OD1-CB 3.38Å; D414-A416 PolarHBondContact OD1-N 3.24Å
417Q93.1Very high74.7Confident14 Ų14108.6 Ų108.67%0.06558%0.576CS.*G310 helixtrans-94.7-3.8176.7-57.4-175.8-46.500113Q370 G374 P412 D414 I415Q370-Q417 WeakPolarHBondContact O-CG 3.29Å; Q370-Q417 PolarHBondContact O-NE2 2.76Å; G374-Q417 PolarHBondContact O-NE2 3.19Å; P412-Q417 HydrophobicContact CB-CB 4.01Å; D414-Q417 WeakPolarHBondContact O-CB 3.23Å; D414-Q417 PolarHBondContact O-N 3.02Å; I415-Q417 PolarHBondContact O-N 2.86Å; I415-Q417 VanDerWaalsContact O-N 3.15Å
418L90.4Very high72Confident86 Ų86110.3 Ų110.345%0.4560%0.595SS.*SBendtrans-88.8128-179.3-64.7177.7000111.7P412 I415 L421P412-L418 HydrophobicContact CB-CD2 3.84Å; P412-L418 HydrophobicContact CG-CD2 3.77Å; I415-L418 PolarHBondContact O-N 3.34Å; L418-L421 HydrophobicContact CB-CD1 4.17Å
419P77.2Confident69.1Low105 Ų105108.5 Ų108.568%0.68261%0.605SS**THydrogen-bonded Turntrans-69.8145.8174.529.6-34.5000111.6
420H58.1Low66.4Low191 Ų191111.6 Ų111.688%0.88462%0.621SS**THydrogen-bonded Turntrans64.834.3173.2-54.2-66.5000117.3
421L58Low64Low91 Ų91111.8 Ų111.848%0.47663%0.627SS.*  trans-66.7134152.2-73.5154.1000109.3I415 L418I415-L421 HydrophobicContact CD1-CD1 4.32Å; I415-L421 HydrophobicContact CD1-CD2 4.3Å; I415-L421 HydrophobicContact CG1-CD1 3.5Å; I415-L421 VanDerWaalsContact CG1-CD1 3.5Å; I415-L421 HydrophobicContact CG1-CD2 4.28Å; I415-L421 WeakPolarHBondContact O-CD1 3.45Å; L418-L421 HydrophobicContact CB-CD1 4.17Å
422P48.6Very low61.2Low110 Ų110113.5 Ų113.571%0.71464%0.642SS**  trans-66.8139.6170.928.8-33.3000109.4K424P422-K424 PolarHBondContact O-N 3.07Å
423E43.9Very low58.8Low193 Ų193118 Ų11890%0.90266%0.662SS**  trans-60.9104.4168-70.1-176.412700108.7T425E423-T425 PolarHBondContact O-N 2.98Å; E423-T425 VanDerWaalsContact O-N 3.13Å
424K43.6Very low55.9Low170 Ų170118.8 Ų118.874%0.73968%0.676SS**  trans-61.2116.3162.4-88.9-166.1162.1-153.20107.1P422 S426 E427P422-K424 PolarHBondContact O-N 3.07Å; K424-S426 PolarHBondContact O-N 2.7Å; K424-E427 IonicContact NZ-OE1 3.25Å
425T36.5Very low53.3Low126 Ų126125.6 Ų125.677%0.77371%0.705SS**  trans-50134.9174.744.70000110.5E423 E427E423-T425 PolarHBondContact O-N 2.98Å; E423-T425 VanDerWaalsContact O-N 3.13Å; T425-E427 PolarHBondContact O-N 2.84Å
426S41.1Very low50.5Low123 Ų123125.3 Ų125.386%0.8671%0.713SS**  trans-44102.2-173.8-46.80000113.7K424 S428K424-S426 PolarHBondContact O-N 2.7Å; S426-S428 PolarHBondContact O-N 3.2Å; S426-S428 VanDerWaalsContact O-N 3.1Å
427E39.1Very low48Very low161 Ų161129.9 Ų129.975%0.75273%0.727SS**  trans-71.8101.6167-76.5171.8-161.900107.8K424 T425 S429K424-E427 IonicContact NZ-OE1 3.25Å; T425-E427 PolarHBondContact O-N 2.84Å; E427-S429 PolarHBondContact O-N 2.61Å
428S38.5Very low45.1Very low100 Ų100134.8 Ų134.870%0.69976%0.763SS**  trans-64.7114.617247.50000109.4S426 E430S426-S428 PolarHBondContact O-N 3.2Å; S426-S428 VanDerWaalsContact O-N 3.1Å; S428-E430 PolarHBondContact O-N 3.12Å
429S36.4Very low42.5Very low118 Ų118140 Ų14083%0.82578%0.782SS**  trans-7475.5178.462.30000111.5E427E427-S429 PolarHBondContact O-N 2.61Å
430E37.6Very low40.3Very low173 Ų173142.3 Ų142.381%0.80879%0.789SS**  trans-74.5124.3159.3-66.3-163.1139.100108.5S428 S432S428-E430 PolarHBondContact O-N 3.12Å; E430-S432 PolarHBondContact O-N 3.5Å
431T42Very low39Very low129 Ų129140 Ų14079%0.79179%0.788SS**  trans-77.1111.9176.648.40000109.4
432S35.2Very low37.8Very low105 Ų105140.7 Ų140.773%0.73480%0.8SS**  trans-121.5101.7162.6-740000108.9E430E430-S432 PolarHBondContact O-N 3.5Å
433D43.5Very low37.1Very low158 Ų158144.4 Ų144.485%0.84581%0.808SS**  trans-67.1129.1167.5-61-62.2000109
434S35.4Very low36.5Very low97 Ų97142.4 Ų142.468%0.67880%0.804SS**  trans-155.179.4175.3-74.40000109.3S436S434-S436 PolarHBondContact O-N 3.18Å
435E39.4Very low36Very low203 Ų203141.9 Ų141.995%0.94981%0.809SS**  trans-57.1132165.2-62.4-169.112700109.1
436S33Very low35.8Very low102 Ų102143.9 Ų143.971%0.71381%0.81SS**  trans-141.483.6177.933.40000110S434 S438S434-S436 PolarHBondContact O-N 3.18Å; S436-S438 PolarHBondContact O-N 3.2Å
437D36.5Very low35.3Very low172 Ų172144.5 Ų144.592%0.9280%0.803SS**  trans-50.8126159.4-106.7-34.5000109.1
438S33.8Very low35Very low118 Ų118142.1 Ų142.183%0.82581%0.805SS**  trans-132.1111.5165.743.40000108.4S436S436-S438 PolarHBondContact O-N 3.2Å
439K34.8Very low34.6Very low195 Ų195146.6 Ų146.685%0.84881%0.811SS**  trans-115.5149.7-177.9-163173.4-173174.90108.9T441K439-T441 PolarHBondContact O-N 3.49Å
440D30.6Very low34.4Very low154 Ų154146 Ų14682%0.82481%0.807SS**  trans-56.6133.7-169.8-50.5-93.2000114.2
441T30.9Very low34.1Very low143 Ų143144.3 Ų144.388%0.87780%0.804SS**  trans-134.5116.2141.947.70000109.2K439K439-T441 PolarHBondContact O-N 3.49Å
442S33.4Very low33.5Very low104 Ų104145.1 Ų145.173%0.72780%0.798SS**  trans-74.3150.2168.5520000111.6
443E33.3Very low33.3Very low189 Ų189148.9 Ų148.988%0.88380%0.802SS**  -171.5146.2114.5-103.2171.1-15900111.6
444D31.6Very low32.6Very low150 Ų150144.6 Ų144.680%0.80280%0.795SS**  trans-80.7146.1178.4-52.7-87.2000111.9
445N32.5Very low32.4Very low160 Ų160146.6 Ų146.686%0.85680%0.798SS**  -163.3170.9121-118-79.6000115.8
446E33.6Very low32Very low168 Ų168144.2 Ų144.279%0.78579%0.787SS**  trans-87.8150-161.2-50.5-170.8129.900116.4
447N29.3Very low31.9Very low135 Ų135143.3 Ų143.372%0.72278%0.781SS**  48.7109.3128.7-179.743.2000120.1
448S34Very low31.5Very low112 Ų112142.8 Ų142.878%0.78377%0.773SS**  -164.9154118.1-87.40000114.2
449K30.5Very low31.1Very low193 Ų193143.3 Ų143.384%0.83977%0.766SS**  trans-60.5158164.1-64.4173.2-179.6175.90109.8
450S32.6Very low30.9Very low106 Ų106138.7 Ų138.774%0.74176%0.758SS**  cis-161.3175.644.960.50000115.5
451D29.7Very low30.7Very low138 Ų138140.5 Ų140.574%0.73876%0.762SS**  trans-40.9156.8158.1-39.3-101.2000112.2
452E29.2Very low30.8Very low145 Ų145140.4 Ų140.468%0.67876%0.756SS**  cis-175.5152.646.2-170.7171.9124.300112.3
453K31.3Very low31.4Very low184 Ų184141 Ų14180%0.876%0.758SS**  trans29.2140.1157.3-64.6165-161.8151.90122.8
454G29.5Very low31.2Very low68 Ų68139.1 Ų139.170%0.70175%0.749SS**  trans144.3105143.100000112.7
455N31.1Very low32.1Very low139 Ų139137.2 Ų137.274%0.74374%0.744SS**  43.9127.872.9-82.936.4000113.2
456Q31.2Very low32.1Very low153 Ų153134.1 Ų134.172%0.71573%0.728SS**  cis-171.7173-0.8-141.4167.6-6.400108.7
457S30.3Very low32Very low84 Ų84134.5 Ų134.559%0.58772%0.722SS**  trans21.6141.9142.965.40000120.8
458E28.1Very low32.1Very low160 Ų160137 Ų13775%0.74873%0.726SS**  cis-174.5-1728.8-118.8165.9-136.600110.1
459N26.4Very low31.8Very low130 Ų130140.6 Ų140.670%0.69573%0.728SS**  trans12.7143.6138.3-54.7-35.4000119.2
460S29.6Very low31.7Very low97 Ų97136.5 Ų136.568%0.67872%0.724SS**  cis178.5170.8-1.945.60000108
461E27.3Very low31.4Very low192 Ų192135.1 Ų135.190%0.89773%0.726SS**  170.5152.8121.1-91.4179.5155.600113.1
462D31.4Very low31.3Very low142 Ų142136.6 Ų136.676%0.75973%0.734SS**  trans-88.4179.4177.7-1480000109.2
463P46.3Very low31.2Very low117 Ų117133.7 Ų133.776%0.7674%0.735SS**  -150.2158.358.240.6-18.9000119.3
464E30.5Very low31Very low149 Ų149129.8 Ų129.870%0.69673%0.73SS**  trans-49.6173.6149.5-117.4-152.7-160.500113.9
465P50.6Low30.9Very low109 Ų109133.3 Ų133.371%0.70873%0.733SS**  cis-151.1-163.84646.5-23.5000114.6
466D31.4Very low30.8Very low95 Ų95133 Ų13351%0.50873%0.731SS.*  cis-158.6157.46.1-154.1-36.8000112
467R31.3Very low30.6Very low176 Ų176131.7 Ų131.766%0.66473%0.729SS**  trans8692.4137.6-120.9159.2-95.1-158.62.8123.6
468K31.3Very low30.7Very low187 Ų187135.9 Ų135.981%0.81374%0.741SS**  trans67.8150.1130.4-58.8174.3-169.5172.80118.1
469K28.6Very low30.7Very low188 Ų188134.8 Ų134.882%0.81774%0.741SS**  cis-163142.524-154.1-165.5177.5-1740112.4
470S28Very low30.8Very low108 Ų108132.9 Ų132.976%0.75574%0.736SS**  trans22.9131.1151.765.10000122.7
471G26.1Very low30.8Very low77 Ų77135.2 Ų135.279%0.79474%0.741SS**  trans173131.815400000114.9
472N28Very low30.9Very low169 Ų169133.1 Ų133.190%0.90474%0.736SS**  trans-95.5172.4170.8-73.77.4000111.1
473A27.3Very low31.1Very low84 Ų84134.4 Ų134.469%0.69474%0.743SS**  trans105.2102.2141.400000118.7
474C26.1Very low30.4Very low102 Ų102131.3 Ų131.369%0.68973%0.732SS**  46.8140.1126.772.80000123.4
475D28Very low30.4Very low142 Ų142132.9 Ų132.976%0.75974%0.739SS**  trans67138.9145.9-49.3-19.7000118
476N28.5Very low29.4Very low133 Ų133132.8 Ų132.871%0.71174%0.741SS**  -164.2169.468.2-134.834.8000115.5
477D28.4Very low29.4Very low125 Ų125133.9 Ų133.967%0.66876%0.757SS**  trans67104.2152.7-60.1-39.9000122.8
478M31.9Very low29.4Very low172 Ų172130.7 Ų130.785%0.84776%0.761SS**  27.6132.5117.2-54.8-72.9-174.200117.8
479N28.7Very low29.2Very low137 Ų137128.8 Ų128.873%0.73376%0.76SS**  179.3145.757.7-167.144.4000113.2
480C28.2Very low30Very low90 Ų90124.9 Ų124.961%0.60875%0.754SS**  trans46.4127.9154.4-75.90000124.2
481N29Very low30Very low146 Ų146126.6 Ų126.678%0.78175%0.754SS**  trans72.2147.6137.5-6948.1000118.9
482D29.8Very low30.3Very low148 Ų148127.4 Ų127.479%0.79175%0.748SS**  cis-160141.1-10.5179.234.7000107.6
483D34.9Very low30.5Very low169 Ų169129.5 Ų129.590%0.90474%0.743SS**  trans-93.4129.1-171.1-88.7-50.5000112.8
484G31.1Very low30.6Very low52 Ų52131.4 Ų131.454%0.53674%0.741SS.*  trans-114.2166.2-162.600000117.5
485H30.6Very low31Very low181 Ų181131.3 Ų131.384%0.83874%0.742SS**  trans72111.6161.3-43.4-66.5000116.1
486S30.1Very low31.2Very low108 Ų108130.9 Ų130.976%0.75574%0.74SS**  cis78.4147.834.6-50.80000116.6
487S32Very low31.3Very low118 Ų118131.6 Ų131.683%0.82574%0.743SS**  trans75.6143.5169.571.80000118.1
488S30.7Very low31.5Very low109 Ų109129.2 Ų129.276%0.76274%0.737SS**  cis-166.7164.5-18.150.90000113.2
489N27.5Very low31.4Very low147 Ų147129.7 Ų129.779%0.78673%0.734SS**  trans-54.4174.2153-69.2-0.2000111.6
490P45.6Very low31.6Very low105 Ų105131.2 Ų131.268%0.68274%0.737SS**  cis-147.1177.818.846-26.5000119.3
491D28.4Very low32.2Very low145 Ų145135.3 Ų135.378%0.77575%0.747SS**  trans62.3120.8136.2-78.7-33.4000124.2
492S32.4Very low32.4Very low93 Ų93132.8 Ų132.865%0.6574%0.741SS**  106.6132.8116.476.70000121.6
493R31.1Very low32.6Very low214 Ų214132.1 Ų132.181%0.80874%0.737SS**  trans67.6156.7149.2-66.8-174.6164.8125.21119.1
494D29.8Very low32.5Very low123 Ų123132.3 Ų132.366%0.65873%0.73SS**  cis-161.7149.8-20.8-99.2-20.9000106.5
495S34.5Very low32.6Very low101 Ų101135 Ų13571%0.70673%0.729SS**  trans60.2173.6159-69.60000118.5
496D31.4Very low32.8Very low133 Ų133132.5 Ų132.571%0.71172%0.721SS**  cis-162.9158.2-45.7-93.3-45.5000106.8
497D30.3Very low33.7Very low147 Ų147132.3 Ų132.379%0.78672%0.718SS**  trans60.8159.6158-81.6-28000120.4
498S32.4Very low33.9Very low75 Ų75133.9 Ų133.952%0.52471%0.71SS.*  cis-174.5159.1-34.3-107.60000110.9
499F29.8Very low33.9Very low183 Ų183133.4 Ų133.480%0.80371%0.712SS**  trans59.3171.9167.3-54-57.8000116.2
500E34Very low33.9Very low168 Ų168129 Ų12979%0.78570%0.702SS**  cis-150136.9-0.1-140.7152.6-133.400105.8
501H41.5Very low33.2Very low177 Ų177133.2 Ų133.282%0.81971%0.713SS**  65135.560.1-104.8-50.8000118.4
502S33.1Very low33.1Very low93 Ų93133.6 Ų133.665%0.6571%0.714SS**  trans177.7-176.8-178.352.20000106.9
503D33.8Very low32.9Very low134 Ų134132.1 Ų132.172%0.71771%0.714SS**  cis-168.8159.9-42.4-89.6-13.6000107.1
504F33.3Very low32.6Very low173 Ų173131.9 Ų131.976%0.75972%0.719SS**  cis-159.6159.7-16.6-127.5-145.3000105.7
505E32.7Very low32.4Very low109 Ų109129.8 Ų129.851%0.50973%0.727SS.*  cis-149.4-109.1-2.6-168-140.172.300109.8K508E505-K508 VanDerWaalsContact OE1-CE 3.23Å; E505-K508 WeakPolarHBondContact OE1-CE 3.24Å; E505-K508 IonicContact OE1-NZ 2.61Å; E505-K508 PolarHBondContact OE1-NZ 2.81Å; E505-K508 IonicContact OE2-NZ 2.84Å; E505-K508 PolarHBondContact OE2-NZ 3.43Å
506N33.9Very low32Very low127 Ų127129.7 Ų129.768%0.67973%0.732SS**  trans-152.2-169-179.9-164.710.1000108.8
507P49.9Very low31.7Very low104 Ų104131.5 Ų131.568%0.67574%0.741SS**  -152.7175.197.537.1-19000114.9
508K35.1Very low31.5Very low152 Ų152128 Ų12866%0.66174%0.739SS**  cis170.6155.5-27.1-96.6157.9177.1148.40104.9E505E505-K508 VanDerWaalsContact OE1-CE 3.23Å; E505-K508 WeakPolarHBondContact OE1-CE 3.24Å; E505-K508 IonicContact OE1-NZ 2.61Å; E505-K508 PolarHBondContact OE1-NZ 2.81Å; E505-K508 IonicContact OE2-NZ 2.84Å; E505-K508 PolarHBondContact OE2-NZ 3.43Å
509A31.5Very low31.2Very low98 Ų98128.4 Ų128.481%0.8175%0.747SS**  cis-149.9-170.3-7.400000106.3
510G27Very low30.9Very low56 Ų56128.6 Ų128.658%0.57775%0.753SS**  cis-155.1172.56.200000111.3
511E31.1Very low30.5Very low193 Ų193129 Ų12990%0.90276%0.755SS**  69.8121.8102.9-65.1178.7145.900113.5
512D26.2Very low29.7Very low152 Ų152129 Ų12981%0.81376%0.759SS**  cis-157.6163.63.4-166.748.3000108.2
513G28.4Very low29.3Very low62 Ų62133.5 Ų133.564%0.63977%0.767SS**  cis175-133.81000000116.5
514F25.1Very low28.9Very low210 Ų210132.8 Ų132.892%0.92177%0.767SS**  trans-72.4160.3-170-84.1-100.9000117.6
515G24.6Very low28.5Very low79 Ų79130.6 Ų130.681%0.81476%0.759SS**  trans147.8108.7146.800000116.7
516A26.9Very low28.1Very low99 Ų99134.7 Ų134.782%0.81877%0.77SS**  trans-102.6154.3167.300000111.2
517L25.1Very low27.5Very low171 Ų171138.1 Ų138.190%0.89578%0.775SS**  trans-172.3149.9145.5-109.1173.4000112.2
518G25.9Very low26.3Very low73 Ų73138.8 Ų138.875%0.75378%0.777SS**  trans-135115.116400000110.2
519A27.4Very low25.8Very low83 Ų83139.5 Ų139.569%0.68678%0.782SS**  trans-170.1152.8176.400000109.5
520M23Very low25.6Very low187 Ų187139.5 Ų139.592%0.92178%0.776SS**  cis-153.9173.4-17.4-116.4-177.7-17500109.1
521Q25.1Very low25.7Very low178 Ų178145.7 Ų145.783%0.83279%0.79SS**  trans-66.4156178-59.8170.2-14.900113.1
522I25.6Very low25.6Very low177 Ų177141.5 Ų141.591%0.90878%0.782SS**  trans-139.4155.5132.7-103156000108.6
523K24.2Very low25.6Very low187 Ų187140.9 Ų140.981%0.81378%0.779SS**  trans-112.9-170-159.4-175.1175.2173.2-178.50111
524V25.8Very low25.4Very low119 Ų119145 Ų14572%0.72179%0.785SS**  trans95.8124.2163.9178.60000113.6
525E24.4Very low25.5Very low127 Ų127145.6 Ų145.659%0.59378%0.782SS**  cis-168.5158.7-2.2-121.7-177.3-177.800113.9
526R22.9Very low25.6Very low195 Ų195149.5 Ų149.574%0.73678%0.783SS**  trans63.2150151.7-63.2-172.1-136.5-133-6119.4
527Y23.1Very low25.5Very low199 Ų199153.4 Ų153.478%0.7878%0.784SS**  cis-160.2173-10.8-141.1-107.8000111.4
528V24.5Very low25.4Very low118 Ų118153 Ų15372%0.71578%0.783SS**  trans79.386.6169.3-1660000118.7
529E24.2Very low25.3Very low166 Ų166154.2 Ų154.278%0.77678%0.779SS**  14.6146123.1-61.4171.513800120.8
530S27.6Very low25.2Very low99 Ų99159.5 Ų159.569%0.69279%0.789SS**  cis-165.1160.7-7.9-93.90000112.3
531E27.8Very low25.2Very low186 Ų186156 Ų15687%0.86978%0.783SS**  trans3.6159.5157.1-45.1-170.8127.700121.3
532S29.6Very low25.2Very low104 Ų104155 Ų15573%0.72778%0.782SS**  cis-154.5175.522.7690000111.7
533D26.1Very low25.2Very low139 Ų139152.1 Ų152.174%0.74377%0.774SS**  cis-153.3177.26.2-142.6-34.1000112.7
534L25.1Very low25.4Very low149 Ų149148.1 Ų148.178%0.7877%0.769SS**  trans-129.5169.1-176-75.6167.8000113.3
535R26.8Very low25.3Very low223 Ų223149.6 Ų149.684%0.84277%0.773SS**  trans148.4134.5135.7-79.4168-176.3-162.10.3110.8
536L26Very low25.7Very low160 Ų160148 Ų14884%0.83878%0.776SS**  cis86.6146.348.8-79.3170.2000114.4
537Q24.6Very low26Very low181 Ų181142.5 Ų142.585%0.84677%0.772SS**  trans-92.8162.3-166.1-62.4163.2-5300113.2
538N22.7Very low26.4Very low164 Ų164142 Ų14288%0.87777%0.774SS**  trans-149.7162.4143.9-159.818.2000109.5
539C24.6Very low26.6Very low97 Ų97143.2 Ų143.266%0.65578%0.776SS**  trans-115.6155.8-168.1-75.40000115.6
540E24.7Very low27Very low194 Ų194140.6 Ų140.691%0.90778%0.776SS**  trans53118150.7-67.2178.6139.500122.3
541S24Very low27.1Very low113 Ų113143.6 Ų143.679%0.7979%0.785SS**  trans-161.5112.3134.163.70000113.8
542L25.6Very low27.4Very low157 Ų157139.6 Ų139.682%0.82278%0.777SS**  trans29.2131.8136.1-58.6175.8000123.7
543T25Very low27.5Very low118 Ų118139.5 Ų139.572%0.72478%0.783SS**  70.4132.1129.560.50000125.2
544S27.6Very low27.6Very low103 Ų103136.8 Ų136.872%0.7279%0.788SS**  trans68.3108.3130.168.60000123.9
545D25.3Very low27.9Very low149 Ų149139.1 Ų139.180%0.79780%0.795SS**  79.8138.5105.2-152.819.9000124
546S31.4Very low28Very low94 Ų94133.5 Ų133.566%0.65780%0.796SS**  trans75.5158.914881.80000123.3
547A29.9Very low28.2Very low80 Ų80129.4 Ų129.466%0.66179%0.792SS**  trans68.7114.315500000118.2
548K31.3Very low28.4Very low189 Ų189125.3 Ų125.382%0.82279%0.79SS**  74.9144.888.8-76.7-175.6178.3-174.60113.5
549D27.9Very low28.7Very low142 Ų142126.6 Ų126.676%0.75979%0.79SS**  cis-142.8-176.221.1-109-43.8000113.2
550S34.3Very low28.9Very low111 Ų111126.1 Ų126.178%0.77679%0.793SS**  trans-83.1154170.5-540000111.9
551D28.2Very low29.1Very low162 Ų162122.5 Ų122.587%0.86679%0.789SS**  -160.3171.6124.4-134.8-34.5000113.8
552S34.4Very low29.5Very low102 Ų102121.4 Ų121.471%0.71378%0.781SS**  trans-103.2155-175.276.50000114.1
553A31.2Very low29.8Very low103 Ų103122.4 Ų122.485%0.85178%0.779SS**  trans167.3161.4132.400000112.7
554G29.4Very low30.1Very low81 Ų81123.4 Ų123.484%0.83578%0.775SS**  trans109.9108.4149.500000117.4
555E31Very low30.3Very low199 Ų199124.9 Ų124.993%0.9377%0.771SS**  trans-82.7155.9162.1-59.9-177.3105.700112
556A29.5Very low30.5Very low105 Ų105125 Ų12587%0.86877%0.765SS**  trans145.8154.7131.100000114.3
557G29.4Very low30.4Very low74 Ų74131.6 Ų131.676%0.76378%0.775SS**  trans85.593.7170.900000114.2
558A29.2Very low30.5Very low95 Ų95137.3 Ų137.379%0.78579%0.785SS**  79.2123.550.900000115.4
559Q28.9Very low30.3Very low191 Ų191136.8 Ų136.889%0.89378%0.782SS**  trans64125.8168.5-54.1-174.99.200116.5
560A28.2Very low30.3Very low87 Ų87139.2 Ų139.272%0.71978%0.781SS**  cis97.2140.434.800000114.8
561S29.7Very low30.2Very low118 Ų118143.3 Ų143.383%0.82578%0.78SS**  trans75.1164.7174.2920000117.2
562S32.2Very low30.2Very low89 Ų89143.9 Ų143.962%0.62277%0.774SS**  cis-163.8156.6-4565.50000113.8
563K31.9Very low29.8Very low178 Ų178149.7 Ų149.777%0.77478%0.781SS**  trans31.7117143.4-56.8160.7-174164.40119.3
564H31.6Very low29.7Very low139 Ų139151.7 Ų151.764%0.64477%0.772SS**  -171.6144.8108.4-10371.6000109.3K566H564-K566 PolarHBondContact CD2-NZ 3.5Å; H564-K566 VanDerWaalsContact CD2-NZ 3.28Å; H564-K566 PolarHBondContact NE2-NZ 2.9Å
565Q31.4Very low29.6Very low134 Ų134158.1 Ų158.163%0.62678%0.777SS**  cis98.4124.717.1-169.6-142.498.800115
566K30.3Very low29.3Very low153 Ų153152.3 Ų152.367%0.66577%0.771SS**  trans111133.7166.7-61.4169.1-176.8820112.9H564H564-K566 PolarHBondContact CD2-NZ 3.5Å; H564-K566 VanDerWaalsContact CD2-NZ 3.28Å; H564-K566 PolarHBondContact NE2-NZ 2.9Å
567R28.7Very low29.2Very low231 Ų231151 Ų15187%0.87277%0.768SS**  cis104.297.611.9-176.8-161.2179.3-160.63.4114.9
568K31.4Very low28.9Very low200 Ų200153.2 Ų153.287%0.8777%0.772SS**  trans164.7169.3144.2-94161.9179.3-179.30110.5
569K28.5Very low28.7Very low178 Ų178153.1 Ų153.177%0.77477%0.771SS**  cis178.2145.3-44.9-156.7-172.7-178.4179.60109.2
570R27.9Very low28.5Very low194 Ų194149.5 Ų149.573%0.73277%0.767SS**  trans75.7161.4170.1-44.9160.294.4174.66.7113.3
571R30.5Very low28.4Very low197 Ų197156.3 Ų156.374%0.74377%0.774SS**  cis-156.8123.25.7-140.5161.6174.2-171.6-4.2108
572K28.1Very low28.2Very low174 Ų174162.8 Ų162.876%0.75778%0.78SS**  5610094.8-170.9-165.1177.4174.60118.1
573R28Very low28Very low224 Ų224169.9 Ų169.985%0.84579%0.793SS**  177.1148.3124.6-97.1-168.5153.2170.9-4.6109.1
574Q27.5Very low27.7Very low144 Ų144169.3 Ų169.367%0.67380%0.798SS**  cis108.691.14.8-170.1-162.917.800116.3
575K28.2Very low27.4Very low216 Ų216166.8 Ų166.894%0.93980%0.796SS**  trans174.3153.1143.1-104.5-174.1172.5-169.70108.6
576G24.9Very low27.1Very low77 Ų77166.3 Ų166.379%0.79481%0.807SS**  cis153.3143.7-10.200000113.2
577G26.2Very low27Very low79 Ų79163.3 Ų163.381%0.81481%0.811SS**  trans104.5122.2-177.800000112
578S23.9Very low27Very low120 Ų120157 Ų15784%0.83980%0.802SS**  cis98.7118.27.6-155.90000117.6
579A24.7Very low26.9Very low93 Ų93153 Ų15377%0.76980%0.799SS**  trans62.2120.3152.400000121
580S24.9Very low27.9Very low115 Ų115150.7 Ų150.780%0.80480%0.802SS**  155.4159.191.8-159.40000114.2
581R26.6Very low28Very low230 Ų230145.2 Ų145.287%0.86881%0.806SS**  trans-54.4153.1-177.8-52.2164.8178.5173.5-2.3115.1
582R25.4Very low28Very low253 Ų253139.1 Ų139.196%0.95581%0.805SS**  -162158.3118.2-104.1160.8-156.9-1504.2113
583R27.2Very low28.3Very low238 Ų238138.2 Ų138.290%0.89881%0.808SS**  trans-92.5172.8170.6-89.1-178.2166-168.7-3.6110.2
584L26.3Very low28.4Very low167 Ų167134.3 Ų134.387%0.87480%0.804SS**  trans130.4139.6152.6-70.2162.2000109.1
585S24.7Very low28.8Very low86 Ų86131.9 Ų131.960%0.60181%0.808SS**  cis145.7143.2-25.855.70000108.9
586S26Very low28.8Very low124 Ų124125.1 Ų125.187%0.86780%0.799SS**  trans66.5158.6175.476.70000115.2
587A27.7Very low29.2Very low89 Ų89129 Ų12974%0.73680%0.801SS**  cis-174170.4-11.500000108.7
588S29Very low29.4Very low100 Ų100131.1 Ų131.170%0.69980%0.798SS**  cis-179.4153.6-29.258.20000110.6
589S29.4Very low29.7Very low114 Ų114133.5 Ų133.580%0.79780%0.796SS**  trans70.7171.2159.9-58.60000116.9
590P47.9Very low30.6Very low130 Ų130133.8 Ų133.884%0.84479%0.79SS**  cis-121.1-176.86.343.1-29.1000115.1
591G31.9Very low31.9Very low79 Ų79133 Ų13381%0.81478%0.782SS**  cis146.2141.9-1400000115.8
592G29.6Very low32Very low70 Ų70132.5 Ų132.572%0.72278%0.78SS**  trans104.1146.3170.700000115.3
593L34Very low32Very low155 Ų155126.8 Ų126.881%0.81277%0.768SS**  cis-160.1175.6-0.8-69.1179.8000106.4
594D31Very low32Very low142 Ų142123.1 Ų123.176%0.75977%0.765SS**  cis-175.2172.6-21.2-97.610.1000107
595A35Very low32Very low93 Ų93120.3 Ų120.377%0.76976%0.76SS**  cis-170.5164.5-25.900000109.9
596G29Very low32.3Very low73 Ų73121.4 Ų121.475%0.75377%0.768SS**  trans98.1147.2167.600000116.9
597L32.1Very low33.4Very low159 Ų159120.5 Ų120.583%0.83276%0.759SS**  cis-153.1127.6-3-94.1166.2000108.3
598V31.2Very low33.7Very low124 Ų124123.4 Ų123.475%0.75276%0.762SS**  66.5126.4109160.60000115.5
599E30.9Very low34.1Very low169 Ų169123.8 Ų123.879%0.7977%0.765SS**  cis-156178.5-1.8-114.2-144.896.800112.3
600P42.3Very low34.3Very low99 Ų99122.8 Ų122.864%0.64376%0.763SS**  trans-100.1-145.9-174.443.4-35.2000112.8
601P52.4Low33.6Very low99 Ų99121.8 Ų121.864%0.64376%0.759SS**  cis-145.5-171.5-3.833.4-7.2000119.3
602R28Very low33.5Very low219 Ų219123.9 Ų123.983%0.82676%0.756SS**  trans88.2158157.2-57.9-178.4-178.6-114.5-3.4119
603L26.6Very low33.5Very low134 Ų134127.4 Ų127.470%0.70276%0.758SS**  cis-168.6178.3-24.8-101.2174.4000109.4
604L27.3Very low33.2Very low160 Ų160128.2 Ų128.284%0.83875%0.754SS**  trans76155.9165.1-55178.5000117.4
605S25.4Very low33.2Very low108 Ų108128.7 Ų128.776%0.75576%0.755SS**  cis-168165.1-22.250.10000111.6
606S31.5Very low32.7Very low110 Ų110132.5 Ų132.577%0.76976%0.755SS**  trans-107.1164.5169.1-170.90000111
607P49.7Very low32.8Very low105 Ų105134.4 Ų134.468%0.68275%0.752SS**  -158.7159.2100.440.1-20.8000119.6
608N34.2Very low32.5Very low149 Ų149135 Ų13580%0.79775%0.75SS**  trans60154.2144.8-62.9-9.6000122.4
609S36.5Very low32.4Very low109 Ų109136.7 Ų136.776%0.76275%0.754SS**  cis174.9157-23-87.80000107.8
610A33Very low32.4Very low92 Ų92134.5 Ų134.576%0.7676%0.757SS**  cis-143.3-131.8-1200000107.4
611S35Very low31.7Very low109 Ų109138.6 Ų138.676%0.76277%0.767SS**  cis-170.8171.9-0.3-16.10000107.4
612V29.2Very low31.3Very low123 Ų123139.5 Ų139.575%0.74577%0.773SS**  cis-166.2132.9-18.51080000111.1
613L30.1Very low31.4Very low145 Ų145136.4 Ų136.476%0.75977%0.771SS**  trans60.1158.2159.1-52.7179.5000120.4
614K26.9Very low31.4Very low171 Ų171136.1 Ų136.174%0.74377%0.771SS**  cis-157.3127.11.7-139.6171.9-177.81780115.4
615I30.3Very low31.4Very low152 Ų152138.3 Ų138.378%0.77977%0.774SS**  trans21.8128.5137.7-49.3167.1000121.5
616K24.7Very low31.5Very low174 Ų174140.3 Ų140.376%0.75778%0.776SS**  -178.2155.6105.4-165.7171178.6-142.60114.5E618K616-E618 IonicContact NZ-OE2 3.74Å; K616-E618 PolarHBondContact NZ-OE2 3.07Å
617T31.1Very low31.5Very low113 Ų113141.7 Ų141.769%0.69378%0.775SS**  trans-103.9155.5175.251.80000114.2
618E26.7Very low30.4Very low170 Ų170143.7 Ų143.779%0.79478%0.78SS**  -179.8175.6125.1-102.5172.1130.200114.9K616K616-E618 IonicContact NZ-OE2 3.74Å; K616-E618 PolarHBondContact NZ-OE2 3.07Å
619I29.3Very low30.3Very low161 Ų161140.8 Ų140.883%0.82677%0.771SS**  trans-103.9152.2-177.4-66.9163.1000110.1
620S29.1Very low30Very low122 Ų122140.2 Ų140.285%0.85377%0.767SS**  trans-156.1158.2161.8-79.20000113.3
621E29.4Very low29.9Very low186 Ų186143 Ų14387%0.86977%0.768SS**  trans-106.9-179.8-176.2-114.6-164.9-17900112.1
622P43.7Very low29.7Very low117 Ų117147.5 Ų147.576%0.7677%0.768SS**  trans-86.9161.3-157.835.3-39.3000116.9
623I29.4Very low29.5Very low154 Ų154149.3 Ų149.379%0.7977%0.773SS**  trans-130.3108.2168.7-58.7178.4000104.9
624N26Very low29.3Very low129 Ų129152 Ų15269%0.6978%0.775SS**  70.611876.3-158.655.3000112.7
625F27.6Very low30.7Very low205 Ų205148.9 Ų148.990%0.89977%0.772SS**  trans-92.8118.9175.3-98.9-92.6000109.2
626D29Very low31.4Very low150 Ų150147.3 Ų147.380%0.80277%0.772SS**  trans-82.8159.1165.2-80.5-52000111.5
627N30.1Very low31.7Very low139 Ų139146.3 Ų146.374%0.74378%0.775SS**  trans-135125.2-167.3158.6101.9000109.6
628D28Very low31.8Very low147 Ų147152.9 Ų152.979%0.78679%0.787SS**  trans-148115.9161-119.9-32.3000113.7
629S30.9Very low31.9Very low88 Ų88152.7 Ų152.762%0.61579%0.786SS**  32.9144.3122.8-42.40000121.3
630S31.4Very low32Very low98 Ų98152.8 Ų152.869%0.68579%0.787SS**  cis-175.5-169.5-14.558.90000109.5
631I30.8Very low32Very low150 Ų150151.9 Ų151.977%0.76978%0.78SS**  trans90.1102178.6-53.4166.6000112.9
632W29.3Very low32.2Very low204 Ų204153.8 Ų153.877%0.77378%0.779SS**  cis90.9111.346.9-78.2115.3000115.4
633N25.9Very low31.5Very low160 Ų160156.1 Ų156.186%0.85679%0.786SS**  trans-167.2153.5136.8-98.2-37.7000111.5
634Y26.1Very low31.4Very low202 Ų202157.1 Ų157.179%0.79279%0.787SS**  trans-165.2170.5-171.2-114-102.1000107.6
635P56.8Low31.8Very low105 Ų105156.3 Ų156.368%0.68279%0.791SS**  -113.6-149.3-57.635.7-15.6000109.8
636P43.9Very low32.9Very low120 Ų120152.3 Ų152.378%0.77979%0.786SS**  -143.91696637.4-16.9000117
637N30.8Very low32.9Very low153 Ų153156.2 Ų156.282%0.81879%0.791SS**  trans-86.3166.4172-74.1-12.2000112.9
638R32.7Very low32.8Very low251 Ų251155.3 Ų155.395%0.94780%0.795SS**  trans-144.4158.7147.9-135.9173.8-175.1178.30.7110.8
639E30.4Very low33Very low165 Ų165156.3 Ų156.377%0.77180%0.797SS**  trans-122.8-172.3-159.3-54.7176.3123.600113.5
640I30.5Very low33Very low164 Ų164159.3 Ų159.384%0.84181%0.812SS**  trans82.9136.7165.9-52.7148000113.7
641S29.6Very low32.8Very low102 Ų102164.2 Ų164.271%0.71382%0.821SS**  cis-138149.4-1.745.80000109.4
642R33Very low34Very low227 Ų227162.6 Ų162.686%0.85782%0.821SS**  61.1111.760.4-101-170.4179.9179.91.8116.7
643N29.8Very low34.8Very low166 Ų166157.6 Ų157.689%0.88881%0.814SS**  trans-168.2152.4130.5-100.8-1.5000110.4
644E27.9Very low34.9Very low174 Ų174155.3 Ų155.381%0.81381%0.811SS**  trans-147.3167.6-172.4-68.4-175.2107.400112.9
645S33.1Very low35.1Very low113 Ų113150.2 Ų150.279%0.7981%0.805SS**  trans77.3169.2150.385.20000118.1
646P51.1Low33.7Very low120 Ų120154.1 Ų154.178%0.77981%0.814SS**  cis-133.6-174.81.739.9-21000116.9
647Y29.9Very low33.1Very low233 Ų233155.6 Ų155.691%0.91481%0.81SS**  trans-84161.4172.7-85.8-108.3000113.8
648S27.8Very low32.9Very low119 Ų119156.3 Ų156.383%0.83281%0.806SS**  -167.7172126.8-156.20000113.8
649M32.4Very low33.7Very low169 Ų169149.9 Ų149.983%0.83380%0.797SS**  trans-119.2152176.4-68.6-174.1-72.700112.5
650T29.5Very low34Very low151 Ų151146.8 Ų146.893%0.92679%0.794SS**  trans-175.2168.2140.815.20000113.5
651K28.5Very low34.7Very low200 Ų200145.3 Ų145.387%0.8780%0.795SS**  trans-156.7170.2-178.1-105-168178.4-173.40109.7
652P55Low34.9Very low117 Ų117150.2 Ų150.276%0.7681%0.806SS**  cis-112.8-101-2132.3-10.3000109.4
653P45.5Very low34.8Very low99 Ų99143.1 Ų143.164%0.64380%0.804SS**  cis-123.4174.9-22.541.2-25.5000115.6
654S29.6Very low34.7Very low111 Ų111139.4 Ų139.478%0.77681%0.805SS**  trans58.5148.1159.441.50000120.4
655S29.8Very low34.7Very low96 Ų96135 Ų13567%0.67181%0.807SS**  cis-168.1143.8-7.344.40000112.4
656E27.6Very low34.4Very low186 Ų186133.6 Ų133.687%0.86981%0.81SS**  trans57.4167.7146-65.6172.3-166.200122.8
657H30.1Very low33.3Very low152 Ų152132.1 Ų132.170%0.70482%0.816SS**  -167.1125.3-51.9-161.470.5000112
658F26.7Very low33.3Very low167 Ų167125.2 Ų125.273%0.73282%0.816SS**  trans60.6-179156-91-114.5000118.4
659P49.8Very low33.4Very low116 Ų116123.6 Ų123.675%0.75382%0.818SS**  cis-128.3177.5-1.340.8-24.3000117.2
660S36.4Very low33.3Very low100 Ų100119.7 Ų119.770%0.69982%0.821SS**  trans-84.9176.5162.6-41.20000112.4
661P46.1Very low33.3Very low133 Ų133116.6 Ų116.686%0.86482%0.819SS**  trans-132.9157.4153.338.5-26.6000115.5
662Q32.7Very low33.4Very low205 Ų205111.3 Ų111.396%0.95882%0.822SS**  trans-152.1147169.4-173.4-17535.900108.4
663G30.7Very low32.3Very low78 Ų78109.2 Ų109.280%0.80482%0.821SS**  trans118.2125.9167.300000115.1
664G28.9Very low31.6Very low88 Ų88113.3 Ų113.391%0.90784%0.837SS**  trans-97.7-162.8-172.300000117.6
665G27.5Very low31.7Very low83 Ų83116 Ų11686%0.85684%0.837SS**  trans118.7118.7155.300000118.5
666G27.4Very low31.6Very low83 Ų83116.5 Ų116.586%0.85684%0.835SS**  trans90.1101.5133.400000121.5
667G28.5Very low31.6Very low89 Ų89111.8 Ų111.892%0.91883%0.828SS**  trans75.1159.4153.600000117.8
668G28.5Very low31.7Very low87 Ų87111.2 Ų111.290%0.89783%0.829SS**  cis156.1124.3-12.100000113.6
669G30.1Very low32.4Very low85 Ų85108.5 Ų108.588%0.87683%0.828SS**  trans135123.8163.100000117.4
670G29.9Very low31.9Very low87 Ų87110.5 Ų110.590%0.89783%0.832SS**  trans78.9142.5163.400000117.2
671G29.4Very low31.7Very low87 Ų87111.6 Ų111.690%0.89784%0.84SS**  cis157.6101.1-11.100000114.8
672G31.8Very low31.1Very low89 Ų89111.6 Ų111.692%0.91884%0.838SS**  trans127.6123.2160.100000116.7
673G30.7Very low30.8Very low73 Ų73109.7 Ų109.775%0.75383%0.833SS**  trans132.690.7160.600000117.7
674L31.3Very low30.8Very low184 Ų184111.7 Ų111.796%0.96383%0.83SS**  trans73.4151.5163.9-55.1171.2000118.2
675H31.2Very low32.4Very low169 Ų169113 Ų11378%0.78282%0.823SS**  trans-165.1163.7-161.7-151.5-152.7000108.6
676V28.9Very low33.3Very low106 Ų106114.9 Ų114.964%0.64282%0.819SS**  cis-124.3-149.27-147.50000108.1I678V676-I678 HydrophobicContact CG1-CD1 3.87Å; V676-I678 HydrophobicContact CG1-CG1 4.33Å
677A27.5Very low33.3Very low87 Ų87114.8 Ų114.872%0.71982%0.818SS**  cis-150.7160.61.100000107.7
678I32.8Very low33.5Very low139 Ų139114.8 Ų114.871%0.71381%0.81SS**  cis88.7118.619.7-61.9-179.6000115V676V676-I678 HydrophobicContact CG1-CD1 3.87Å; V676-I678 HydrophobicContact CG1-CG1 4.33Å
679P41.3Very low33.6Very low110 Ų110118.8 Ų118.871%0.71481%0.811SS**  cis-143.4-175-22.842-23.3000115.4
680D38.2Very low33.5Very low158 Ų158118 Ų11885%0.84580%0.803SS**  trans-85.2148149.9-82.7-53000110.9
681S32.7Very low33.5Very low124 Ų124118.7 Ų118.787%0.86780%0.799SS**  trans-173.3157.2149.6-870000114.2
682V32.3Very low33.6Very low133 Ų133119.2 Ų119.281%0.80680%0.795SS**  trans-97.9149.3-179171.20000110.9
683L26.6Very low33.6Very low164 Ų164119.2 Ų119.286%0.85979%0.787SS**  trans179.3158.3133.9-97.2165.2000114.2
684T30.6Very low33.7Very low121 Ų121126 Ų12674%0.74279%0.79SS**  trans-106.3-172.5172.653.20000109.6
685P63.1Low33.7Very low116 Ų116125.8 Ų125.875%0.75378%0.781SS**  cis-111.5-117.4-17.231.1-9.4000108.1
686P47.5Very low33.7Very low122 Ų122122.5 Ų122.579%0.79277%0.773SS**  cis-122.1-179.1-4836.7-20.5000113.9
687G27.3Very low34Very low80 Ų80124.4 Ų124.483%0.82578%0.775SS**  trans151.7138.4156.400000116.5
688A32.5Very low34.2Very low90 Ų90129 Ų12974%0.74478%0.779SS**  trans-101.2-175.2177.900000112.7
689D28.9Very low34.1Very low171 Ų171125.6 Ų125.691%0.91478%0.779SS**  trans67.9149.6171-54.5-37.3000117.4
690G29.8Very low33.6Very low69 Ų69124.8 Ų124.871%0.71178%0.781SS**  cis175.9157.2-7.700000114
691A29.7Very low33.4Very low100 Ų100123 Ų12383%0.82678%0.781SS**  trans47.395156.200000122
692A30.6Very low33.5Very low98 Ų98120.6 Ų120.681%0.8177%0.768SS**  74.9158.3115.400000123.5
693A32.1Very low33.6Very low90 Ų90120.6 Ų120.674%0.74477%0.769SS**  trans75.9144158.200000118.2
694R32.8Very low33.8Very low215 Ų215117.2 Ų117.281%0.81177%0.765SS**  cis-163.8135.81.1-121.5169.9-171.2-1784.9111.9
695K32.2Very low33.9Very low180 Ų180115.4 Ų115.478%0.78376%0.762SS**  trans62.8159142.7-74.8-174.5172.8-168.80118.5
696T30.5Very low32.4Very low99 Ų99118 Ų11861%0.60777%0.769SS**  cis-157.3148.55.1-5.80000112.9
697Q34.3Very low31.5Very low147 Ų147116.2 Ų116.269%0.68776%0.764SS**  trans50.5142.7142.5-84.6164.8-50.600121
698F31.8Very low32.7Very low182 Ų182118 Ų11880%0.79876%0.761SS**  cis-128.7179.75.9-83.3-81.8000110
699G31.2Very low32.5Very low69 Ų69120.1 Ų120.171%0.71177%0.765SS**  cis110.1147.65.100000113.4
700A30.2Very low32.6Very low92 Ų92116.4 Ų116.476%0.7676%0.757SS**  cis-169159.1-4.800000112.9
701S33.8Very low32.6Very low121 Ų121118.6 Ų118.685%0.84676%0.762SS**  trans78.4152.4153-123.30000119.1
702A34.9Very low32.7Very low73 Ų73120.9 Ų120.960%0.60376%0.76SS**  cis-155.7146.213.800000115.9
703T34.3Very low33.4Very low134 Ų134121 Ų12182%0.82275%0.753SS**  trans49.6150.8131.359.10000122.8
704A31.1Very low33.2Very low93 Ų93124.3 Ų124.377%0.76976%0.757SS**  cis-177.1-176.4-1.500000109.5
705A33.7Very low33.1Very low83 Ų83119.3 Ų119.369%0.68676%0.755SS**  cis-178.9159.6-43.600000110.3
706L30.5Very low34.1Very low170 Ų170116.4 Ų116.489%0.8976%0.755SS**  trans70.8136.4167.7-54.2168.1000116.5
707A28.7Very low35.2Very low85 Ų85116.4 Ų116.470%0.70276%0.757SS**  cis108.2164.325.300000112.7
708P52.9Low35Very low116 Ų116117.1 Ų117.175%0.75376%0.764SS**  -141.9-171-50.541.7-24.2000116
709V29.3Very low34.9Very low136 Ų136113.5 Ų113.582%0.82476%0.762SS**  trans90144.5154.4171.70000122.2
710A29.3Very low34.8Very low92 Ų92114.5 Ų114.576%0.7676%0.763SS**  trans75.9149.4163.600000119.3
711S31Very low34.9Very low115 Ų115115.5 Ų115.580%0.80476%0.764SS**  cis-163.2154.4-6.746.40000112.9
712D31.5Very low35.4Very low148 Ų148116.2 Ų116.279%0.79177%0.766SS**  trans-83.4155.5161.5-156.522.1000109.5
713P44.9Very low35.2Very low100 Ų100123 Ų12365%0.64978%0.776SS**  -156.6-176.567.534.4-8.2000118.9
714L28.6Very low35.3Very low160 Ų160122.2 Ų122.284%0.83877%0.767SS**  trans104.7139.9150.3-56.2178.7000121.5
715S31.2Very low35.1Very low111 Ų111127.8 Ų127.878%0.77677%0.774SS**  trans-116.2-164163.1-42.30000108.4
716P52.1Low35.1Very low119 Ų119132.3 Ų132.377%0.77378%0.781SS**  cis-135.7-134.5-4.141-17.3000110.3
717P54.5Low35.8Very low99 Ų99130.1 Ų130.164%0.64378%0.776SS**  cis-137.7-179.8-2842-25.3000116.6
718L30.2Very low35.9Very low162 Ų162129.2 Ų129.285%0.84878%0.775SS**  trans65154.1156.9-60.5-160.6000118.2
719S30.2Very low34.9Very low106 Ų106132.1 Ų132.174%0.74178%0.784SS**  cis-169.4-175.2-18.957.50000107.3
720A28.2Very low35Very low90 Ų90129.1 Ų129.174%0.74478%0.781SS**  cis-157.6-172.38.100000110.4
721S32.8Very low35Very low112 Ų112128.7 Ų128.778%0.78379%0.785SS**  trans-105170.7162.2-49.90000111.2
722P43.7Very low35.1Very low137 Ų137127.3 Ų127.389%0.8979%0.79SS**  -147.4-174.197.840.2-23.9000114.9
723R31.5Very low35.1Very low214 Ų214124.4 Ų124.481%0.80880%0.795SS**  trans-134163.7-172.7-160.2-166.5152.6135-1.2111.6
724D34.6Very low34.5Very low118 Ų118123.8 Ų123.863%0.63181%0.806SS**  trans67.9126.4160.9-54.5-50.7000120.5
725K27.6Very low34.7Very low211 Ų211120.1 Ų120.192%0.91781%0.807SS**  -173.1134.9121.4-105.1169-175.4177.50115.1
726H33.9Very low34.7Very low178 Ų178119 Ų11982%0.82481%0.813SS**  trans-73.8162.7153.9-104.4-58.8000110
727P45.5Very low33.8Very low124 Ų124117.3 Ų117.381%0.80582%0.817SS**  cis-134.2-163.947.728.9-4.3000112.7
728G30.7Very low32.8Very low65 Ų65116.8 Ų116.867%0.6783%0.83SS**  cis143.3101.6-14.400000115.5
729N32.1Very low32.8Very low177 Ų177112.6 Ų112.695%0.94783%0.826SS**  trans72.1140.7154.5-155.134000122.5
730G30.2Very low33Very low73 Ų73113.1 Ų113.175%0.75384%0.836SS**  trans86.4145.5166.200000117.4
731G31.1Very low33.1Very low83 Ų83112.7 Ų112.786%0.85684%0.841SS**  cis162.2108.4-13.100000116
732G31.8Very low33Very low87 Ų87111.4 Ų111.490%0.89785%0.845SS**  trans77.8157.9154.300000120.6
733G31.9Very low32.3Very low87 Ų87109 Ų10990%0.89785%0.845SS**  trans101.5114.1159.400000117.3
734G31.9Very low32.2Very low87 Ų87102.1 Ų102.190%0.89784%0.841SS**  trans-109.2179.5174.400000114.2
735G32.2Very low32.2Very low83 Ų83103.1 Ų103.186%0.85685%0.854SS**  trans152.498.8171.400000114.5
736G32.5Very low32.2Very low87 Ų8798.1 Ų98.190%0.89785%0.846SS**  trans-79.9-169.4-171.100000117.9
737G32.6Very low32.3Very low83 Ų8394.4 Ų94.486%0.85685%0.846SS**  trans151.563.4162.800000120.7
738G32.7Very low31.5Very low88 Ų8893.8 Ų93.891%0.90785%0.845SS**  trans68.6157.915500000119.7
739G31.9Very low31.4Very low74 Ų7498.5 Ų98.576%0.76386%0.855SS**  cis175.8149-10.100000114.6
740A33.9Very low31.2Very low117 Ų11795.2 Ų95.297%0.96785%0.845SS**  trans63.5139.7168.900000119.6
741G30.5Very low31.1Very low81 Ų8199.4 Ų99.484%0.83585%0.849SS**  trans177.9-33.2173.600000119.3
742G30.4Very low31Very low85 Ų85103 Ų10388%0.87685%0.849SS**  trans75.2168.2-174.700000114.2
743G29.1Very low30.8Very low87 Ų87108 Ų10890%0.89784%0.842SS**  cis-174.8130.9-8.400000111.3
744G29.4Very low30.9Very low70 Ų70110.6 Ų110.672%0.72284%0.84SS**  trans164.1151.9-176.400000110.9
745P34.6Very low31Very low138 Ų138108.5 Ų108.590%0.89682%0.819SS**PPolyproline II helixtrans-74.1130.4-165.728.2-34.4000113.6
746S26.5Very low31.1Very low107 Ų107109.9 Ų109.975%0.74881%0.806SS**PPolyproline II helixtrans-79.6146.3176.253.90000112.8S748S746-S748 PolarHBondContact O-N 3.15Å
747A37.7Very low31.2Very low100 Ų100112 Ų11283%0.82680%0.797SS**PPolyproline II helixtrans-62.1126.8160.300000110.2
748S27.3Very low31.2Very low111 Ų111113.4 Ų113.478%0.77678%0.781SS**  trans-95.197.4178.155.50000110.7S746 S750S746-S748 PolarHBondContact O-N 3.15Å; S748-S750 PolarHBondContact O-N 3.19Å
749N29.7Very low31.3Very low164 Ų164111.7 Ų111.788%0.87776%0.758SS**  trans-60.3115.5162.7-79.3-17.9000108.8
750S26.5Very low31.3Very low107 Ų107113.8 Ų113.875%0.74875%0.751SS**PPolyproline II helixtrans-88.8127165.7-171.50000108.8S748 L752S748-S750 PolarHBondContact O-N 3.19Å; S750-L752 PolarHBondContact O-N 2.98Å
751L30Very low31.3Very low161 Ų161114.7 Ų114.784%0.84374%0.735SS**PPolyproline II helixtrans-60.8120174.1-68.8149.7000109.5
752L28.5Very low31.5Very low160 Ų160116.9 Ų116.984%0.83872%0.718SS**PPolyproline II helixtrans-84.8144163.6-69.9175.3000109S750S750-L752 PolarHBondContact O-N 2.98Å
753Y27.9Very low31.7Very low192 Ų192117.7 Ų117.775%0.75370%0.702SS**PPolyproline II helixtrans-72.7133.3-174.7-90.2-108.9000111.2G755 D756Y753-G755 PolarHBondContact O-N 3.49Å; Y753-D756 PolarHBondContact O-N 3.07Å
754T32.5Very low31.9Very low140 Ų140121.6 Ų121.686%0.85970%0.697SS**Hα-helixtrans-64.5-9178.2-5.50000114.2
755G34.5Very low32.2Very low44 Ų44121 Ų12145%0.45469%0.685SS.*Hα-helixtrans-79.9-29.2177.100000114.6Y753 L757 E758 A759Y753-G755 PolarHBondContact O-N 3.49Å; G755-L757 VanDerWaalsContact C-N 3.32Å; G755-L757 PolarHBondContact O-N 2.8Å; G755-E758 PolarHBondContact O-N 3.41Å; G755-A759 PolarHBondContact O-N 2.87Å
756D34.7Very low32.1Very low111 Ų111115.5 Ų115.559%0.59465%0.653SS**Hα-helixtrans-71.5-28.5-172.9-66-35.3000112.3Y753 A759 L760Y753-D756 PolarHBondContact O-N 3.07Å; D756-A759 PolarHBondContact O-N 3.01Å; D756-L760 WeakPolarHBondContact O-CB 3.49Å; D756-L760 PolarHBondContact O-N 2.85Å
757L34.2Very low33Very low133 Ų133115.1 Ų115.170%0.69664%0.643SS**Hα-helixtrans-69.3-39.3174.8-146.579.5000111.6G755 A759 L760 Q761G755-L757 VanDerWaalsContact C-N 3.32Å; G755-L757 PolarHBondContact O-N 2.8Å; L757-A759 VanDerWaalsContact C-N 3.35Å; L757-L760 PolarHBondContact O-N 3.19Å; L757-Q761 WeakPolarHBondContact O-CB 3.34Å; L757-Q761 PolarHBondContact O-N 2.86Å
758E33.2Very low32.7Very low112 Ų112115.1 Ų115.152%0.52363%0.633SS.*Hα-helixtrans-71.9-31177.9-145.6-173.9-122.600111.5G755 R762G755-E758 PolarHBondContact O-N 3.41Å; E758-R762 VanDerWaalsContact CD-NH1 3.31Å; E758-R762 WeakPolarHBondContact O-CG 3.24Å; E758-R762 PolarHBondContact O-N 3.04Å; E758-R762 VanDerWaalsContact O-N 3.09Å; E758-R762 IonicContact OE2-CZ 3.34Å; E758-R762 IonicContact OE2-NH1 3.53Å; E758-R762 PolarHBondContact OE2-NH1 3.42Å; E758-R762 IonicContact OE2-NH2 3.52Å
759A33.8Very low32.8Very low52 Ų52115.1 Ų115.143%0.4363%0.628SS.*Hα-helixtrans-67.1-43169.900000112.2G755 D756 L757 Q761 R762 L763G755-A759 PolarHBondContact O-N 2.87Å; D756-A759 PolarHBondContact O-N 3.01Å; L757-A759 VanDerWaalsContact C-N 3.35Å; A759-Q761 VanDerWaalsContact C-N 3.34Å; A759-Q761 PolarHBondContact O-N 3.42Å; A759-R762 PolarHBondContact O-N 3.31Å; A759-L763 PolarHBondContact O-N 3.35Å
760L32.3Very low32.7Very low118 Ų118114 Ų11462%0.61862%0.621SS**Hα-helixtrans-66.4-36.5178.2-151.574.4000112.1D756 L757 L763D756-L760 WeakPolarHBondContact O-CB 3.49Å; D756-L760 PolarHBondContact O-N 2.85Å; L757-L760 PolarHBondContact O-N 3.19Å; L760-L763 PolarHBondContact O-N 3.26Å
761Q33.2Very low32.8Very low135 Ų135114.6 Ų114.663%0.63162%0.622SS**Hα-helixtrans-73.4-31.4177.1-159.916514.100112.6L757 A759 L763 Q764L757-Q761 WeakPolarHBondContact O-CB 3.34Å; L757-Q761 PolarHBondContact O-N 2.86Å; A759-Q761 VanDerWaalsContact C-N 3.34Å; A759-Q761 PolarHBondContact O-N 3.42Å; Q761-L763 VanDerWaalsContact C-N 3.31Å; Q761-L763 PolarHBondContact O-N 2.82Å; Q761-Q764 PolarHBondContact O-N 3.25Å
762R34.8Very low32.5Very low127 Ų127114.1 Ų114.148%0.47962%0.62SS.*Hα-helixtrans-68.1-27170.4-78-172.3174.697.82113.5D226 E758 A759 Q764 A765D226-R762 IonicContact OD2-CZ 3.68Å; D226-R762 IonicContact OD2-NE 3.3Å; D226-R762 PolarHBondContact OD2-NE 3.03Å; D226-R762 IonicContact OD2-NH2 3.89Å; D226-R762 PolarHBondContact OD2-NH2 3.01Å; E758-R762 VanDerWaalsContact CD-NH1 3.31Å; E758-R762 WeakPolarHBondContact O-CG 3.24Å; E758-R762 PolarHBondContact O-N 3.04Å; E758-R762 VanDerWaalsContact O-N 3.09Å; E758-R762 IonicContact OE2-CZ 3.34Å; E758-R762 IonicContact OE2-NH1 3.53Å; E758-R762 PolarHBondContact OE2-NH1 3.42Å; E758-R762 IonicContact OE2-NH2 3.52Å; A759-R762 PolarHBondContact O-N 3.31Å; R762-Q764 PolarHBondContact O-N 3.15Å; R762-A765 PolarHBondContact O-N 3.1Å
763L35.3Very low32.5Very low102 Ų102113 Ų11353%0.53462%0.62SS.*THydrogen-bonded Turntrans-71.2-9.9175.7-76.5167000114.3A759 L760 Q761A759-L763 PolarHBondContact O-N 3.35Å; L760-L763 PolarHBondContact O-N 3.26Å; Q761-L763 VanDerWaalsContact C-N 3.31Å; Q761-L763 PolarHBondContact O-N 2.82Å
764Q33Very low32.5Very low170 Ų170111.3 Ų111.379%0.79462%0.618SS**THydrogen-bonded Turntrans-88.4-8.9172.5-63.2-172.9-69.800113.7Q761 R762Q761-Q764 PolarHBondContact O-N 3.25Å; R762-Q764 PolarHBondContact O-N 3.15Å
765A37Very low32.2Very low56 Ų56115.4 Ų115.446%0.46362%0.618SS.*THydrogen-bonded Turntrans-107.2-24.7-177.100000114.3R762R762-A765 PolarHBondContact O-N 3.1Å
766G32.5Very low31.8Very low23 Ų23118.9 Ų118.924%0.23763%0.63CS.*SBendtrans-104.1123.5178.900000112.5V768G766-V768 PolarHBondContact O-N 2.77Å
767N45.2Very low31.6Very low100 Ų100120 Ų12054%0.53564%0.641SS.*SBendtrans-72.555.2-176.1-74.4-5.3000114.5Y365Y365-N767 HydrophobicContact CE2-CB 4.06Å
768V29.8Very low31.3Very low100 Ų100116.7 Ų116.761%0.60664%0.638SS**  trans-143.7108.8170.5-174.10000110.8G766G766-V768 PolarHBondContact O-N 2.77Å
769V29.7Very low31.3Very low111 Ų111118.3 Ų118.367%0.67366%0.656SS**  trans-118.5119.2164.6176.60000108.6L772V769-L772 HydrophobicContact CG1-CD1 4.48Å
770L29Very low31Very low140 Ų140124.3 Ų124.373%0.73368%0.68SS**  trans-75.6147.8170.1-72.9170000110L772L770-L772 PolarHBondContact O-N 2.84Å
771P27.1Very low30.8Very low119 Ų119123.2 Ų123.277%0.77369%0.688SS**  trans-58.6112.6179.2-24.634.3000112.3V773P771-V773 PolarHBondContact O-N 2.84Å
772L25.5Very low30.7Very low151 Ų151121.4 Ų121.479%0.79170%0.696SS**  trans-69102.5173.6-93.893.2000110.3V769 L770 H774V769-L772 HydrophobicContact CG1-CD1 4.48Å; L770-L772 PolarHBondContact O-N 2.84Å; L772-H774 PolarHBondContact O-N 2.93Å
773V28.3Very low30.3Very low138 Ų138122.2 Ų122.284%0.83672%0.715SS**  trans-68.995.6164.8-178.60000108.1P771 R775P771-V773 PolarHBondContact O-N 2.84Å; V773-R775 PolarHBondContact O-N 3.49Å
774H26.7Very low29.9Very low155 Ų155123.1 Ų123.172%0.71873%0.731SS**  trans-63.9106.2-172.1-161.5-86.6000111.6L772 V776L772-H774 PolarHBondContact O-N 2.93Å; H774-V776 PolarHBondContact O-N 2.98Å
775R26.5Very low29.9Very low227 Ų227121.5 Ų121.586%0.85773%0.732SS**  trans-80.782.2-173-163-178.2-165-174.45.4111.2V773 T777V773-R775 PolarHBondContact O-N 3.49Å; R775-T777 PolarHBondContact O-N 3.32Å
776V27.2Very low29.5Very low116 Ų116123.7 Ų123.770%0.70375%0.75SS**  trans-65.495.4-179.4-178.30000111.6H774 G778H774-V776 PolarHBondContact O-N 2.98Å; V776-G778 PolarHBondContact O-N 3.22Å
777T30.5Very low29.2Very low136 Ų136127.7 Ų127.783%0.83478%0.781SS**  trans-8584.8160.845.50000109.5R775R775-T777 PolarHBondContact O-N 3.32Å
778G27.9Very low28.3Very low62 Ų62131.9 Ų131.964%0.63980%0.797SS**  trans-123.3113.4175.800000111.5V776 L780V776-G778 PolarHBondContact O-N 3.22Å; G778-L780 PolarHBondContact O-N 3.27Å
779T33.1Very low28.2Very low146 Ų146137.2 Ų137.290%0.89681%0.807SS**  trans-84.8104.6171.348.20000110.1
780L27.6Very low28Very low179 Ų179138.3 Ų138.394%0.93781%0.814SS**  trans-137.7152.7169.3-97.8172.6000111.9G778G778-L780 PolarHBondContact O-N 3.27Å
781A26.6Very low27.8Very low94 Ų94140.7 Ų140.778%0.77781%0.814SS**  trans-79.3161.3-176.500000112.4
782A30.8Very low27.8Very low98 Ų98141.5 Ų141.581%0.8182%0.817SS**  trans-73136.2-175.900000113.2
783T27.8Very low27.9Very low143 Ų143141.2 Ų141.288%0.87782%0.822SS**  trans-165.4152.8142.62.80000112.3
784S26.6Very low27.8Very low122 Ų122137.9 Ų137.985%0.85382%0.815SS**  trans72.9158.5169.8-149.70000118.1
785T32.4Very low27.8Very low136 Ų136137.1 Ų137.183%0.83482%0.822SS**  trans-133.2114.5-162.150.50000112.3
786A28.6Very low28Very low101 Ų101131.8 Ų131.884%0.83581%0.809SS**  trans-149.7135163.400000109.4
787A26.9Very low28.1Very low107 Ų107137.5 Ų137.588%0.88482%0.818SS**  trans-95.1113.8-177.700000111.2
788Q26.8Very low28Very low188 Ų188140.3 Ų140.388%0.87981%0.814SS**PPolyproline II helixtrans-87.9131.2170.6-71.9-179.4-33.400110.5
789R26.6Very low27.8Very low212 Ų212141.6 Ų141.680%0.882%0.819SS**PPolyproline II helixtrans-84126.6170.2-71.4-178.1175.8178.8-1.6109.4Y791R789-Y791 HydrophobicContact CB-CE2 4.4Å
790V25.4Very low27.5Very low135 Ų135140.4 Ų140.482%0.81881%0.814SS**PPolyproline II helixtrans-89.9123.2168.3-179.60000108.3
791Y26Very low27.6Very low190 Ų190136.8 Ų136.875%0.74581%0.809SS**PPolyproline II helixtrans-89.4130171.4-73.7-89.6000109.8R789R789-Y791 HydrophobicContact CB-CE2 4.4Å
792T25.8Very low27.6Very low136 Ų136141.2 Ų141.283%0.83481%0.814SS**PPolyproline II helixtrans-88.2122.217651.40000110.4G794T792-G794 PolarHBondContact O-N 2.77Å
793T27.4Very low27.7Very low145 Ų145142.8 Ų142.889%0.8981%0.813SS**PPolyproline II helixtrans-67.9124.4172.5430000110.5
794G26.4Very low27.6Very low67 Ų67142.3 Ų142.369%0.69181%0.81SS**  trans-103.2106.4-17300000113T792 I796T792-G794 PolarHBondContact O-N 2.77Å; G794-I796 PolarHBondContact O-N 2.89Å
795T26.3Very low27.7Very low140 Ų140144.1 Ų144.186%0.85981%0.809SS**  trans-73109.4169.9-45.20000110
796I31.3Very low27.4Very low115 Ų115142.4 Ų142.459%0.5981%0.809SS**PPolyproline II helixtrans-80.5123.1-178.1-62.6-179.7000110.6G794G794-I796 PolarHBondContact O-N 2.89Å
797R28.3Very low27.3Very low235 Ų235146.6 Ų146.689%0.88781%0.814SS**PPolyproline II helixtrans-83.3139.2172.7-60176.8-178.8174.8-1.4110.3
798Y29Very low27.3Very low196 Ų196150.6 Ų150.677%0.76981%0.814SS**PPolyproline II helixtrans-79.8126.6164.9-74-87.7000110.2
799A24.2Very low27.2Very low88 Ų88147.2 Ų147.273%0.72781%0.812SS**PPolyproline II helixtrans-91.1140.4165.900000109.3
800P27.5Very low27.1Very low122 Ų122144.4 Ų144.479%0.79281%0.812SS**PPolyproline II helixtrans-66.3138.4172.929-33.9000110.1E802P800-E802 PolarHBondContact O-N 3.29Å
801A30Very low27.3Very low102 Ų102146.1 Ų146.184%0.84382%0.816SS**PPolyproline II helixtrans-74.6122.9177.600000110.8
802E26.2Very low27.3Very low187 Ų187144.6 Ų144.687%0.87482%0.82SS**PPolyproline II helixtrans-71.1164.8173.8-69.5-164.4131.700112.8P800P800-E802 PolarHBondContact O-N 3.29Å
803V31.4Very low27.7Very low131 Ų131143.9 Ų143.979%0.79482%0.818SS**PPolyproline II helixtrans-85.9130.6179.8177.40000110.2L805V803-L805 HydrophobicContact CG1-CD1 4.33Å
804T27.3Very low27.6Very low133 Ų133144.5 Ų144.582%0.81682%0.815SS**  trans-133.6126.4170-30.60000110.7
805L27.4Very low27.6Very low160 Ų160145.1 Ų145.184%0.83881%0.814SS**  trans-84.2138.2167.8-80.971.8000109.6V803V803-L805 HydrophobicContact CG1-CD1 4.33Å
806A26.9Very low27.6Very low101 Ų101147.6 Ų147.684%0.83582%0.816SS**  trans-154.6159.8159.200000110.4
807M25.7Very low27.4Very low188 Ų188146.8 Ų146.893%0.92683%0.826SS**  trans-99.1171.1-170.7-71.516055.500113.4
808Q26.5Very low27.3Very low192 Ų192142.4 Ų142.490%0.89783%0.825SS**  trans-68.5142.7172.9-56.3165.2-53.400112.3
809S25.1Very low27.2Very low117 Ų117140.1 Ų140.182%0.81883%0.826SS**  trans-164.9151.7134.156.50000111.4
810N25.8Very low27.2Very low152 Ų152145.7 Ų145.781%0.81383%0.834SS**  trans-90.4150.8173.3-64.4-40.3000110.3
811L28.1Very low27.3Very low172 Ų172145.4 Ų145.490%0.90183%0.83SS**  174.7144.5115.4-91161000112
812L27.2Very low27.1Very low157 Ų157147.4 Ų147.482%0.82283%0.826SS**  trans-106.4156.4169.2-79167.9000108.8
813P33.9Very low27.1Very low122 Ų122144.8 Ų144.879%0.79282%0.823SS**  -146.1163.489.936.5-18.9000117.2
814N25.3Very low26.8Very low157 Ų157144.9 Ų144.984%0.8482%0.819SS**  trans-17.8153.5158.7-66.7-10.9000117.2
815A26.8Very low26.8Very low80 Ų80143.9 Ų143.966%0.66182%0.817SS**  -175.5153.853.500000115.9
816H25.9Very low27.2Very low193 Ų193142.1 Ų142.189%0.89482%0.816SS**  trans57.2155.3153.9-63.8-58.1000121.8
817A27.6Very low27.3Very low98 Ų98140.7 Ų140.781%0.8181%0.81SS**  trans-118153.3-179.200000111
818V26.5Very low27.4Very low142 Ų142142.1 Ų142.186%0.86181%0.812SS**  trans-143129.6172.1-150.90000109.1
819N25.3Very low27.5Very low149 Ų149136.7 Ų136.780%0.79781%0.808SS**  trans-81.3150.2162-78-32.4000109.1
820F24.6Very low27.7Very low205 Ų205139 Ų13990%0.89981%0.81SS**  -166.3-175.8123.5-119-82.9000111.8
821V29.3Very low27.8Very low116 Ų116138.6 Ų138.670%0.70381%0.808SS**  trans-121124.3-154.8169.10000112.1
822D25.8Very low28.4Very low143 Ų143135.4 Ų135.477%0.76580%0.798SS**  trans58.7-178.9144.3-153.49.3000120.6
823V26.9Very low28.9Very low133 Ų133136.6 Ų136.681%0.80680%0.796SS**  trans98.9141.8171.4-171.30000116.4
824N25Very low29.4Very low133 Ų133137.1 Ų137.171%0.71180%0.797SS**  trans-107.1152.5-158.3-69.6-87.9000115.3
825S26.3Very low29.9Very low111 Ų111134.1 Ų134.178%0.77679%0.786SS**  trans70.5165147.9-65.80000119.3
826P37.6Very low30.3Very low124 Ų124137.6 Ų137.681%0.80579%0.791SS**  cis-139.2160.2-48.338.9-24.2000114.1
827G28.6Very low30.9Very low70 Ų70136 Ų13672%0.72278%0.784SS**  trans153.110715700000120.2
828F27.1Very low31.3Very low218 Ų218138.9 Ų138.996%0.95678%0.782SS**  trans33.5123.4147.7-77.5-91000123.1
829G28.3Very low31.9Very low79 Ų79137.5 Ų137.581%0.81477%0.769SS**  trans-178.5108.8158.900000112
830L29.2Very low32.4Very low165 Ų165139.3 Ų139.386%0.86477%0.766SS**  trans-85.1139.3-167.8-67.1164.9000114.9
831D29.4Very low32.9Very low143 Ų143136.7 Ų136.777%0.76576%0.757SS**  trans-154.8124.4131.8-166.826.6000110.7
832P39.7Very low33.2Very low106 Ų106137.6 Ų137.669%0.68875%0.753SS**  trans-105.664.8-163.139.7-35.3000114.8
833K38.5Very low33.8Very low181 Ų181135.7 Ų135.779%0.78775%0.747SS**  trans-134.216.5-177.8-83.1-166.4177.2179.80119.5
834T43.3Very low34.3Very low133 Ų133137.1 Ų137.182%0.81674%0.744SS**SBendtrans-148.566.4172.811.60000115.7
835P37Very low35Very low95 Ų95141 Ų14162%0.61775%0.749SS**SBendtrans-130.2-17.515311.510.7000115.7
836M33.9Very low35.4Very low153 Ų153141.9 Ų141.975%0.75474%0.744SS**Hα-helixtrans-72.4-38.3-166.7-147.572.317500113.3L839 Y840M836-L839 PolarHBondContact O-N 3Å; M836-Y840 PolarHBondContact O-N 2.74Å; M836-Y840 VanDerWaalsContact O-N 3.15Å
837E38.9Very low35.2Very low159 Ų159143.3 Ų143.374%0.74375%0.745SS**Hα-helixtrans-72.9-35-176.3-63.1-178138.400112.6L839 Y840 H841E837-L839 VanDerWaalsContact C-N 3.29Å; E837-L839 PolarHBondContact O-N 3.17Å; E837-Y840 PolarHBondContact O-N 3.26Å; E837-H841 PolarHBondContact O-N 3.35Å
838M36.8Very low35.3Very low158 Ų158148.6 Ų148.678%0.77875%0.753SS**Hα-helixtrans-61.9-37.1172.3-88.3179.558.800112.1H842M838-H842 PolarHBondContact O-N 3.11Å
839L38.8Very low35.6Very low113 Ų113143.4 Ų143.459%0.59274%0.744SS**Hα-helixtrans-71.4-39.5177.8-159.470.2000111.4M836 E837 H841 H842 V843M836-L839 PolarHBondContact O-N 3Å; E837-L839 VanDerWaalsContact C-N 3.29Å; E837-L839 PolarHBondContact O-N 3.17Å; L839-H841 VanDerWaalsContact C-N 3.32Å; L839-H841 PolarHBondContact O-N 2.79Å; L839-H842 PolarHBondContact O-N 3.19Å; L839-V843 PolarHBondContact O-N 3.18Å
840Y34.5Very low35.7Very low187 Ų187143 Ų14373%0.73374%0.739SS**Hα-helixtrans-61.7-39.2176.3-136.6-93.6000112.2M836 E837 H842M836-Y840 PolarHBondContact O-N 2.74Å; M836-Y840 VanDerWaalsContact O-N 3.15Å; E837-Y840 PolarHBondContact O-N 3.26Å; Y840-H842 VanDerWaalsContact C-N 3.33Å; Y840-H842 PolarHBondContact O-N 2.97Å
841H35.6Very low36Very low150 Ų150141 Ų14169%0.69474%0.736SS**Hα-helixtrans-73.9-21.6177.8-136.485.4000113.8E837 L839E837-H841 PolarHBondContact O-N 3.35Å; L839-H841 VanDerWaalsContact C-N 3.32Å; L839-H841 PolarHBondContact O-N 2.79Å
842H35.9Very low35.9Very low135 Ų135144.2 Ų144.263%0.62574%0.744SS**Hα-helixtrans-84.5-40.6-179.8-153.881.4000112.6M838 L839 Y840 H844M838-H842 PolarHBondContact O-N 3.11Å; L839-H842 PolarHBondContact O-N 3.19Å; Y840-H842 VanDerWaalsContact C-N 3.33Å; Y840-H842 PolarHBondContact O-N 2.97Å; H842-H844 PolarHBondContact O-N 2.64Å
843V39.2Very low35.4Very low104 Ų104142.8 Ų142.863%0.6375%0.748SS**Hα-helixtrans-68.6-35.5-178.3175.60000112L839 R845 L846L839-V843 PolarHBondContact O-N 3.18Å; V843-R845 PolarHBondContact O-N 3.02Å; V843-R845 VanDerWaalsContact O-N 3.12Å; V843-L846 PolarHBondContact O-N 3.13Å
844H37.2Very low35.1Very low162 Ų162137.8 Ų137.875%0.7575%0.748SS**THydrogen-bonded Turntrans-73.5-3.2-175.4-139.6-59.9000115H842H842-H844 PolarHBondContact O-N 2.64Å
845R39.3Very low34.3Very low216 Ų216136.3 Ų136.382%0.81575%0.749SS**THydrogen-bonded Turntrans-102.3-5.8176-90.6-173.1165.5-164.4-4.9114.9V843V843-R845 PolarHBondContact O-N 3.02Å; V843-R845 VanDerWaalsContact O-N 3.12Å
846L34.6Very low34Very low128 Ų128138.7 Ų138.767%0.6776%0.762SS**  trans-124.171.3-177.6-68.6175.5000111.3V843 M848V843-L846 PolarHBondContact O-N 3.13Å; L846-M848 PolarHBondContact O-N 3.34Å
847N33.3Very low33.7Very low154 Ų154137 Ų13782%0.82477%0.765SS**  trans-76.668.4179.3-170.419.8000112.5
848M31.7Very low33.1Very low181 Ų181134 Ų13489%0.89277%0.767SS**  trans-138.690.4175.7-75.9-69.3-8500110.6L846L846-M848 PolarHBondContact O-N 3.34Å
849S32.4Very low32.7Very low110 Ų110131.2 Ų131.277%0.76977%0.77SS**  trans-127.665175.849.80000112.3
850G30.8Very low32.1Very low69 Ų69131.1 Ų131.171%0.71178%0.778SS**  trans-68143.7158.900000110.6
851P35.5Very low31.8Very low124 Ų124129.8 Ų129.881%0.80578%0.783SS**  trans-83.5130.5-164.331.3-35.5000114
852F27.1Very low31.3Very low210 Ų210128.1 Ų128.192%0.92178%0.784SS**  trans-134.491157.7-95.3-79000110.4
853G29.2Very low31Very low76 Ų76130.6 Ų130.678%0.78480%0.796SS**PPolyproline II helixtrans-88.4119.5160.700000109.2
854G31.3Very low30.2Very low76 Ų76133.8 Ų133.878%0.78481%0.806SS**PPolyproline II helixtrans-68.8132.4176.900000111.6
855A28.5Very low30.3Very low102 Ų102131.2 Ų131.284%0.84380%0.803SS**PPolyproline II helixtrans-77.8125.7176.400000111.2
856V30.2Very low29.7Very low145 Ų145126 Ų12688%0.87981%0.806SS**  trans-121.1125.8163.3-175.30000107.3
857S26.5Very low29.3Very low117 Ų117123.3 Ų123.382%0.81881%0.81SS**  trans-86.1126.6-170.7-55.90000112.7
858A27.1Very low29Very low96 Ų96123.2 Ų123.279%0.79381%0.809SS**  172.6154.3128.900000113.9
859A28.9Very low28.8Very low101 Ų101121 Ų12184%0.83581%0.806SS**  trans69.2132.5154.500000121.2
860S24.6Very low28.5Very low110 Ų110123.8 Ų123.877%0.76980%0.804SS**  trans-49.4158166.1-38.50000113.5
861L28.3Very low28.5Very low160 Ų160125.7 Ų125.784%0.83880%0.802SS**  -165.5-179.957.6-155.568.5000112.5
862T26.7Very low28.1Very low114 Ų114125.4 Ų125.470%0.69980%0.798SS**  trans-46.8148.9176.152.90000117.3
863Q28.2Very low28.1Very low188 Ų188119.4 Ų119.488%0.87979%0.787SS**  166.4157.8100.1-157.4164.16.700113
864M23.1Very low28Very low171 Ų171124.1 Ų124.184%0.84279%0.789SS**  trans-99-178.3173.2-79.2-94.2-167.700110.5
865P39.3Very low27.8Very low108 Ų108123.9 Ų123.970%0.70179%0.787SS**  cis-135.6-179-7.937.3-18.1000115.9
866A26.7Very low27.7Very low105 Ų105126 Ų12687%0.86878%0.783SS**  trans64.8147.4141.900000123.2
867G25.7Very low27.5Very low73 Ų73127.7 Ų127.775%0.75378%0.779SS**  trans166.8109.7168.200000112.9
868N28.3Very low27.4Very low151 Ų151127.4 Ų127.481%0.80778%0.777SS**  trans-97.8165.1-178.4-68.5-9.3000112.8
869V26.3Very low27.5Very low135 Ų135129 Ų12982%0.81878%0.777SS**  trans149.5100142.6159.80000108.8
870F27.2Very low27.3Very low168 Ų168132.3 Ų132.374%0.73778%0.779SS**  83.7103.878.7-95.3-112.8000114.3
871T29Very low28.3Very low109 Ų109131.6 Ų131.667%0.66977%0.772SS**  84.1145.5101.955.80000115
872T28.4Very low28.3Very low118 Ų118133.1 Ų133.172%0.72477%0.773SS**  cis-166.8173.7-4.520.10000106.2
873A26.9Very low29.1Very low84 Ų84133.4 Ų133.469%0.69478%0.776SS**  cis-145.6172.99.200000107.4
874E27.2Very low29.2Very low176 Ų176129.4 Ų129.482%0.82277%0.765SS**  cis89.3113.316.9-58.4172.690.900117.2
875G26.2Very low29.3Very low71 Ų71131.7 Ų131.773%0.73277%0.765SS**  trans114.1139.1170.100000115.3
876L27.6Very low28.7Very low146 Ų146130.9 Ų130.976%0.76476%0.762SS**  cis-147.8166.2-8.6-69.7172.5000106.5
877F25.6Very low28.6Very low181 Ų181133.9 Ų133.979%0.79476%0.764SS**  cis-160.1158.140.8-96-82.8000112.4
878S25.2Very low28.7Very low111 Ų111134.2 Ų134.278%0.77677%0.767SS**  trans-154.5135.3156.755.70000111
879T28.5Very low28.8Very low130 Ų130134.2 Ų134.280%0.79877%0.766SS**  trans-161.8134.4169.428.70000113.4
880L25Very low28.9Very low169 Ų169136.3 Ų136.389%0.88577%0.766SS**  trans-137.2155148.7-81.1178.2000107.8
881P45.3Very low29Very low95 Ų95132.3 Ų132.362%0.61776%0.764SS**  trans-113.5141.2-141.71.521.9000118.5
882F28.6Very low29Very low193 Ų193131 Ų13185%0.84676%0.764SS**  trans67.7163.6145.9-61.2-50.4000119.6
883P43.8Very low29Very low120 Ų120133.9 Ų133.978%0.77977%0.77SS**  cis-126.1-177.56.744.1-29.5000114.4
884V28.6Very low29.1Very low104 Ų104135.4 Ų135.463%0.6377%0.77SS**  cis-168174.9-22.7143.50000107.2
885Y26Very low29.2Very low219 Ų219134 Ų13486%0.85977%0.767SS**  trans91.1129.5173.9-65-63.4000115.7
886S25.9Very low29.3Very low91 Ų91139.5 Ų139.564%0.63677%0.774SS**  cis-154.1156.52-83.70000112.9
887N26.1Very low29.5Very low168 Ų168143.5 Ų143.590%0.89878%0.779SS**  trans50.9121.9153.7-60.7-4.9000121.6
888G27.7Very low29.6Very low80 Ų80143.6 Ų143.683%0.82578%0.779SS**  trans180125.6161.700000112.3
889I29.4Very low30Very low151 Ų151145.1 Ų145.177%0.77477%0.774SS**  trans-101.7155.9-168.6-52.4174.7000111.3
890H29.6Very low30.2Very low179 Ų179150.2 Ų150.283%0.82980%0.797SS**  trans87.1156.6170.8-56.9-86.6000117.8
891A28.2Very low30.5Very low84 Ų84149.3 Ų149.369%0.69479%0.792SS**  cis-174.3150.1-42.100000110.5
892A28.8Very low29.7Very low81 Ų81152.2 Ų152.267%0.66980%0.801SS**  trans71.6130.8161.900000120.7
893Q29Very low29.7Very low179 Ų179149.9 Ų149.984%0.83680%0.799SS**  61.3146.6126.7-64173.5-15.100120.2
894T29.7Very low28.9Very low115 Ų115151.6 Ų151.671%0.70680%0.8SS**  cis-155133.9-6.47.70000107
895L28.7Very low28.9Very low146 Ų146154.6 Ų154.676%0.76481%0.811SS**  59.199.192.8-160.9163.7000115
896E29.1Very low29.1Very low188 Ų188150.3 Ų150.388%0.87981%0.807SS**  trans-161.8172.7131.7-118.6177.2-169.300113.6
897R30.6Very low29.4Very low230 Ų230154.6 Ų154.687%0.86882%0.82SS**  trans-115.5162-177.1-66.3173.1157.684.2-5.1109.8
898K27.5Very low29.6Very low182 Ų182153.5 Ų153.579%0.79181%0.814SS**  -174.4162105.2-159.1163.8178.1-166.80112.7
899E34.1Very low29.8Very low144 Ų144159.7 Ų159.767%0.67381%0.813SS**  trans-43.7156.7158.7-57.2110.5177.700112.5
900D32.5Very low29.8Very low237 Ų237160.5 Ų160.5100%1.26782%0.816SS**  cis-120.9028.8-62.3-56.3000116.1

Retrieved 900 of 900 residues in 433.2 ms (Link to these results)

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