X5DR67_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 X5DR67, Species HUMAN (Homo sapiens, Human), Gene NPAS3, Length 918 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
1M40.9Very low50.7Low252 Ų252144.1 Ų144.1100%1.24178%0.78SS**  0142.60-70.9167.7168.400108.6
2A43Very low51.5Low88 Ų88138.6 Ų138.673%0.72776%0.757SS**  trans-122.4138.9172.900000109.3T4A2-T4 PolarHBondContact O-N 3.21Å
3P55.5Low52.8Low128 Ų128131.4 Ų131.483%0.83172%0.723SS**PPolyproline II helixtrans-69.8120.1-17927.3-33000110.7K5P3-K5 PolarHBondContact O-N 3.44Å
4T51.3Low54.3Low134 Ų134134.4 Ų134.482%0.82272%0.719SS**PPolyproline II helixtrans-64.5116.7175.543.80000110.4A2A2-T4 PolarHBondContact O-N 3.21Å
5K52.9Low55.6Low199 Ų199129.3 Ų129.387%0.86569%0.685SS**PPolyproline II helixtrans-58.7128.1171.4-72.3-179.4176.8177.30109P3 S7P3-K5 PolarHBondContact O-N 3.44Å; K5-S7 PolarHBondContact O-N 3.42Å
6P49.6Very low56.9Low114 Ų114124.2 Ų124.274%0.7466%0.656SS**PPolyproline II helixtrans-62.8123.2176.525.7-33.2000109.3F8P6-F8 PolarHBondContact O-N 2.74Å
7S48.8Very low58.4Low99 Ų99128.3 Ų128.369%0.69266%0.661SS**  trans-68.9114.9177.654.80000109.5K5 Q9K5-S7 PolarHBondContact O-N 3.42Å; S7-Q9 PolarHBondContact O-N 2.71Å
8F50.8Low59.8Low198 Ų198125.5 Ų125.587%0.86865%0.647SS**  trans-6581.1170-92.9-88.8000110.4P6 Q10P6-F8 PolarHBondContact O-N 2.74Å; F8-Q10 PolarHBondContact O-N 3.37Å
9Q50.1Low61.1Low172 Ų172122.8 Ų122.880%0.80463%0.631SS**  trans-58.7107.8158.6-72.7-172.1-700106.8S7 D11S7-Q9 PolarHBondContact O-N 2.71Å; Q9-D11 VanDerWaalsContact C-N 3.32Å; Q9-D11 PolarHBondContact O-N 2.97Å
10Q56.4Low62.3Low125 Ų125119.3 Ų119.358%0.58462%0.621SS**  trans-68.594178.7-77.9-175-11.100109.2F8 P12 R15F8-Q10 PolarHBondContact O-N 3.37Å; Q10-P12 VanDerWaalsContact O-N 3.13Å; Q10-R15 PolarHBondContact O-NH2 3.34Å; Q10-R15 VanDerWaalsContact OE1-CZ 3.29Å
11D57.9Low63.6Low76 Ų76117.5 Ų117.541%0.40661%0.612SS.*  trans-30.3111.6-178.6176.10.8000111.6Q9 S13 R14 R15Q9-D11 VanDerWaalsContact C-N 3.32Å; Q9-D11 PolarHBondContact O-N 2.97Å; D11-S13 VanDerWaalsContact CG-OG 3.22Å; D11-S13 PolarHBondContact O-N 2.8Å; D11-S13 WeakPolarHBondContact OD1-CB 3.15Å; D11-S13 PolarHBondContact OD1-N 3.15Å; D11-S13 PolarHBondContact OD1-OG 3.49Å; D11-S13 PolarHBondContact OD2-OG 3.19Å; D11-R14 HydrophobicContact CB-CB 3.92Å; D11-R14 PolarHBondContact O-N 3.13Å; D11-R14 PolarHBondContact OD1-N 3.24Å; D11-R15 PolarHBondContact O-N 2.95Å
12P60.4Low65.9Low78 Ų78113.5 Ų113.551%0.50658%0.583SS.*Hα-helixtrans-58.6-35.7-177.2-19.730.5000111.8Q10 R15 E16 Q592 K593Q10-P12 VanDerWaalsContact O-N 3.13Å; P12-R15 PolarHBondContact O-N 3.47Å; P12-E16 PolarHBondContact O-N 3.41Å; P12-Q592 CarbonylContact C-O 3.48Å; P12-Q592 VanDerWaalsContact C-O 3.24Å; P12-Q592 VanDerWaalsContact CA-O 3.3Å; P12-Q592 WeakPolarHBondContact CA-O 3.19Å; P12-Q592 WeakPolarHBondContact CB-O 3.09Å; P12-Q592 CarbonylContact O-C 3.25Å; P12-Q592 VanDerWaalsContact O-C 3.25Å; P12-K593 PolarHBondContact O-N 2.77Å
13S68.8Low68.2Low45 Ų45116.9 Ų116.932%0.31558%0.581SS.*Hα-helixtrans-68.2-46.7179.178.70000112.1D11 R15 E16 R17D11-S13 VanDerWaalsContact CG-OG 3.22Å; D11-S13 PolarHBondContact O-N 2.8Å; D11-S13 WeakPolarHBondContact OD1-CB 3.15Å; D11-S13 PolarHBondContact OD1-N 3.15Å; D11-S13 PolarHBondContact OD1-OG 3.49Å; D11-S13 PolarHBondContact OD2-OG 3.19Å; S13-R15 PolarHBondContact O-N 2.94Å; S13-E16 PolarHBondContact O-N 3.42Å; S13-R17 PolarHBondContact O-N 3.04Å
14R74.3Confident69.9Low174 Ų174114.5 Ų114.566%0.65756%0.559SS**Hα-helixtrans-56.7-38176.2-175.3177.7179.6-175.11.5111.6D11 L18D11-R14 HydrophobicContact CB-CB 3.92Å; D11-R14 PolarHBondContact O-N 3.13Å; D11-R14 PolarHBondContact OD1-N 3.24Å; R14-L18 HydrophobicContact CG-CD1 4.3Å; R14-L18 WeakPolarHBondContact O-CB 3.41Å; R14-L18 VanDerWaalsContact O-CG 3.27Å; R14-L18 WeakPolarHBondContact O-CG 3.47Å; R14-L18 PolarHBondContact O-N 3.38Å
15R73.7Confident71.9Confident57 Ų57116 Ų11622%0.21555%0.554CS.*Hα-helixtrans-68.7-38.2176.9-161.2-165.8-49-932.7112.4Q10 D11 P12 S13 Q19 K590Q10-R15 PolarHBondContact O-NH2 3.34Å; Q10-R15 VanDerWaalsContact OE1-CZ 3.29Å; D11-R15 PolarHBondContact O-N 2.95Å; P12-R15 PolarHBondContact O-N 3.47Å; S13-R15 PolarHBondContact O-N 2.94Å; R15-Q19 WeakPolarHBondContact O-CG 3.43Å; R15-Q19 PolarHBondContact O-N 2.9Å; R15-Q19 VanDerWaalsContact O-N 3.13Å; R15-K590 WeakPolarHBondContact CD-O 2.88Å; R15-K590 PolarHBondContact NE-O 3.33Å
16E76.7Confident73.9Confident48 Ų48110.3 Ų110.322%0.22454%0.539CS..Hα-helixtrans-71.5-41.4176.3-156.4-177.6-121.100111.7P12 S13 L18 Q19 A20 Q592 K593 G594P12-E16 PolarHBondContact O-N 3.41Å; S13-E16 PolarHBondContact O-N 3.42Å; E16-L18 VanDerWaalsContact C-N 3.26Å; E16-L18 PolarHBondContact O-N 3.48Å; E16-Q19 CarbonylContact O-C 3.24Å; E16-Q19 WeakPolarHBondContact O-CA 3.38Å; E16-Q19 WeakPolarHBondContact O-CB 3.22Å; E16-Q19 PolarHBondContact O-N 3.17Å; E16-A20 PolarHBondContact O-N 2.91Å; E16-Q592 HydrophobicContact CG-CB 4.46Å; E16-Q592 HydrophobicContact CG-CG 4.48Å; E16-Q592 WeakPolarHBondContact OE1-CB 3.3Å; E16-Q592 WeakPolarHBondContact OE1-CG 3.27Å; E16-Q592 PolarHBondContact OE1-NE2 2.71Å; E16-K593 VanDerWaalsContact CD-CA 3.48Å; E16-K593 VanDerWaalsContact OE2-C 3.29Å; E16-K593 WeakPolarHBondContact OE2-CA 3.34Å; E16-G594 PolarHBondContact OE2-N 3.46Å
17R81.2Confident76Confident194 Ų194110.7 Ų110.773%0.73253%0.526SS*.Hα-helixtrans-57.3-40172.7-163.3175-172.5-179.83.3111.6S13 Q19 A20 L21S13-R17 PolarHBondContact O-N 3.04Å; R17-Q19 VanDerWaalsContact C-N 3.3Å; R17-Q19 PolarHBondContact O-N 2.93Å; R17-A20 PolarHBondContact O-N 3.13Å; R17-L21 WeakPolarHBondContact O-CB 3.18Å; R17-L21 WeakPolarHBondContact O-CG 3.41Å; R17-L21 PolarHBondContact O-N 3.46Å
18L84.1Confident78.3Confident78 Ų78108.9 Ų108.941%0.40851%0.509SS..Hα-helixtrans-72.5-14.3172-71.7170.7000114.3R14 E16 R22R14-L18 HydrophobicContact CG-CD1 4.3Å; R14-L18 WeakPolarHBondContact O-CB 3.41Å; R14-L18 VanDerWaalsContact O-CG 3.27Å; R14-L18 WeakPolarHBondContact O-CG 3.47Å; R14-L18 PolarHBondContact O-N 3.38Å; E16-L18 VanDerWaalsContact C-N 3.26Å; E16-L18 PolarHBondContact O-N 3.48Å; L18-R22 VanDerWaalsContact O-CG 3.3Å; L18-R22 WeakPolarHBondContact O-CG 3.35Å; L18-R22 PolarHBondContact O-NH1 2.84Å
19Q83.9Confident80.4Confident75 Ų75102.2 Ų102.235%0.3549%0.49SS..Hα-helixtrans-87.9-39.4168.8-74.2171.736.100111.1R15 E16 R17 R22 K23 R591R15-Q19 WeakPolarHBondContact O-CG 3.43Å; R15-Q19 PolarHBondContact O-N 2.9Å; R15-Q19 VanDerWaalsContact O-N 3.13Å; E16-Q19 CarbonylContact O-C 3.24Å; E16-Q19 WeakPolarHBondContact O-CA 3.38Å; E16-Q19 WeakPolarHBondContact O-CB 3.22Å; E16-Q19 PolarHBondContact O-N 3.17Å; R17-Q19 VanDerWaalsContact C-N 3.3Å; R17-Q19 PolarHBondContact O-N 2.93Å; Q19-R22 PolarHBondContact O-N 3.39Å; Q19-K23 WeakPolarHBondContact O-CG 3.46Å; Q19-K23 PolarHBondContact O-N 3.22Å; Q19-R591 PolarHBondContact NE2-O 2.82Å
20A86Confident82.6Confident52 Ų5294.9 Ų94.943%0.4346%0.459SS..Hα-helixtrans-56.6-53.4171.600000110.8E16 R17 R22 K23 E24E16-A20 PolarHBondContact O-N 2.91Å; R17-A20 PolarHBondContact O-N 3.13Å; A20-R22 PolarHBondContact O-N 3.04Å; A20-K23 CarbonylContact O-C 3.58Å; A20-K23 WeakPolarHBondContact O-CB 3.36Å; A20-K23 PolarHBondContact O-N 3.37Å; A20-E24 VanDerWaalsContact O-CB 3.27Å; A20-E24 WeakPolarHBondContact O-CB 3.46Å; A20-E24 PolarHBondContact O-N 3.39Å
21L88.7Confident84.5Confident82 Ų8297 Ų9743%0.42946%0.462SS..Hα-helixtrans-59.9-29177.8-71.6168.2000113.9R17 K25R17-L21 WeakPolarHBondContact O-CB 3.18Å; R17-L21 WeakPolarHBondContact O-CG 3.41Å; R17-L21 PolarHBondContact O-N 3.46Å; L21-K25 WeakPolarHBondContact O-CG 3.48Å; L21-K25 PolarHBondContact O-N 2.84Å; L21-K25 VanDerWaalsContact O-N 3.11Å
22R89Confident86.4Confident168 Ų16896.8 Ų96.863%0.63447%0.466SS*.Hα-helixtrans-74.8-43.7172.9-76.2178.8-176.3104.8-9.4111.9L18 Q19 A20 E24 S26L18-R22 VanDerWaalsContact O-CG 3.3Å; L18-R22 WeakPolarHBondContact O-CG 3.35Å; L18-R22 PolarHBondContact O-NH1 2.84Å; Q19-R22 PolarHBondContact O-N 3.39Å; A20-R22 PolarHBondContact O-N 3.04Å; R22-E24 VanDerWaalsContact C-N 3.3Å; R22-S26 VanDerWaalsContact O-CB 3.3Å; R22-S26 WeakPolarHBondContact O-CB 3.45Å; R22-S26 PolarHBondContact O-N 3.44Å
23K91.6Very high88.2Confident158 Ų158100.3 Ų100.369%0.68747%0.469SS*.Hα-helixtrans-62.2-39.6174.3-74-177.1174.3-1710111.5Q19 A20 S26 R27Q19-K23 WeakPolarHBondContact O-CG 3.46Å; Q19-K23 PolarHBondContact O-N 3.22Å; A20-K23 CarbonylContact O-C 3.58Å; A20-K23 WeakPolarHBondContact O-CB 3.36Å; A20-K23 PolarHBondContact O-N 3.37Å; K23-S26 PolarHBondContact O-N 2.71Å; K23-R27 VanDerWaalsContact O-CB 3.26Å; K23-R27 WeakPolarHBondContact O-CB 3.46Å; K23-R27 PolarHBondContact O-N 3.5Å
24E91.3Very high89.5Confident79 Ų79105.5 Ų105.537%0.36948%0.482SS..Hα-helixtrans-62-58176.6-177.6136.5-100.200111.4A20 R22 S26 R27 D28A20-E24 VanDerWaalsContact O-CB 3.27Å; A20-E24 WeakPolarHBondContact O-CB 3.46Å; A20-E24 PolarHBondContact O-N 3.39Å; R22-E24 VanDerWaalsContact C-N 3.3Å; E24-S26 PolarHBondContact O-N 3.4Å; E24-R27 WeakPolarHBondContact O-CB 3.49Å; E24-R27 PolarHBondContact O-N 2.79Å; E24-R27 IonicContact OE1-CZ 3.53Å; E24-R27 IonicContact OE1-NH1 3.5Å; E24-R27 PolarHBondContact OE1-NH1 3.3Å; E24-R27 IonicContact OE1-NH2 2.73Å; E24-R27 PolarHBondContact OE1-NH2 3.19Å; E24-D28 WeakPolarHBondContact O-CB 3.49Å; E24-D28 VanDerWaalsContact O-CG 3.23Å; E24-D28 PolarHBondContact O-N 2.81Å
25K93.1Very high90.6Very high165 Ų16599.3 Ų99.372%0.71747%0.472SS*.Hα-helixtrans-55-38.1173.9-73-172.5176.8-162.90112.7L21 A29L21-K25 WeakPolarHBondContact O-CG 3.48Å; L21-K25 PolarHBondContact O-N 2.84Å; L21-K25 VanDerWaalsContact O-N 3.11Å; K25-A29 WeakPolarHBondContact O-CB 3.37Å; K25-A29 PolarHBondContact O-N 3.42Å
26S95Very high91.8Very high80 Ų80103.4 Ų103.456%0.55949%0.491SS*.Hα-helixtrans-68.5-40.4175.7-171.10000113.2R22 K23 E24 A30R22-S26 VanDerWaalsContact O-CB 3.3Å; R22-S26 WeakPolarHBondContact O-CB 3.45Å; R22-S26 PolarHBondContact O-N 3.44Å; K23-S26 PolarHBondContact O-N 2.71Å; E24-S26 PolarHBondContact O-N 3.4Å; S26-A30 WeakPolarHBondContact O-CB 3.39Å; S26-A30 PolarHBondContact O-N 2.72Å
27R94.9Very high92.7Very high122 Ų122104.6 Ų104.646%0.4650%0.497SS..Hα-helixtrans-64.4-45176.8177.9-167.768.7-151.6-8.6110.4K23 E24 A30 R31K23-R27 VanDerWaalsContact O-CB 3.26Å; K23-R27 WeakPolarHBondContact O-CB 3.46Å; K23-R27 PolarHBondContact O-N 3.5Å; E24-R27 WeakPolarHBondContact O-CB 3.49Å; E24-R27 PolarHBondContact O-N 2.79Å; E24-R27 IonicContact OE1-CZ 3.53Å; E24-R27 IonicContact OE1-NH1 3.5Å; E24-R27 PolarHBondContact OE1-NH1 3.3Å; E24-R27 IonicContact OE1-NH2 2.73Å; E24-R27 PolarHBondContact OE1-NH2 3.19Å; R27-A30 PolarHBondContact O-N 2.86Å; R27-R31 WeakPolarHBondContact O-CB 3.26Å; R27-R31 PolarHBondContact O-N 3.41Å
28D95.6Very high93.5Very high61 Ų6199.4 Ų99.433%0.32648%0.484SS..Hα-helixtrans-78.6-35.3-172.9-57.1-21.3000110.6E24 R31 S32E24-D28 WeakPolarHBondContact O-CB 3.49Å; E24-D28 VanDerWaalsContact O-CG 3.23Å; E24-D28 PolarHBondContact O-N 2.81Å; D28-R31 PolarHBondContact O-N 2.93Å; D28-S32 WeakPolarHBondContact O-CB 3.35Å; D28-S32 PolarHBondContact O-N 3.33Å
29A96.2Very high94.1Very high58 Ų58101.1 Ų101.148%0.47949%0.488SS..Hα-helixtrans-64.6-38.7166.600000112.6K25 S32 R33K25-A29 WeakPolarHBondContact O-CB 3.37Å; K25-A29 PolarHBondContact O-N 3.42Å; A29-S32 PolarHBondContact O-N 2.96Å; A29-R33 WeakPolarHBondContact O-CB 3.33Å; A29-R33 PolarHBondContact O-N 2.75Å
30A96.3Very high94.8Very high18 Ų18103.1 Ų103.115%0.14950%0.497CS..Hα-helixtrans-68.3-37.2174.600000112.4S26 R27 R34S26-A30 WeakPolarHBondContact O-CB 3.39Å; S26-A30 PolarHBondContact O-N 2.72Å; R27-A30 PolarHBondContact O-N 2.86Å; A30-R34 WeakPolarHBondContact O-CB 3.49Å; A30-R34 VanDerWaalsContact O-CG 3.31Å; A30-R34 WeakPolarHBondContact O-CG 3.45Å; A30-R34 PolarHBondContact O-N 3.05Å
31R96.3Very high95.3Very high169 Ų169102.7 Ų102.764%0.63849%0.486SS*.Hα-helixtrans-65.3-45172.6-177.9-175.6-78.6160.4-9.9111.1R27 D28 R34 G35R27-R31 WeakPolarHBondContact O-CB 3.26Å; R27-R31 PolarHBondContact O-N 3.41Å; D28-R31 PolarHBondContact O-N 2.93Å; R31-R34 PolarHBondContact O-N 3.37Å; R31-G35 PolarHBondContact O-N 3.36Å
32S97.3Very high95.7Very high71 Ų71104.6 Ų104.650%0.49749%0.488SS..Hα-helixtrans-61-44.6175.6-179.20000111.7D28 A29 G35 K36D28-S32 WeakPolarHBondContact O-CB 3.35Å; D28-S32 PolarHBondContact O-N 3.33Å; A29-S32 PolarHBondContact O-N 2.96Å; S32-G35 PolarHBondContact O-N 2.95Å; S32-K36 PolarHBondContact O-N 3.37Å
33R97.6Very high96.1Very high152 Ų15299.3 Ų99.357%0.57447%0.471SS*.Hα-helixtrans-59.4-49.6174.4-172.6178.168.1-109.95.4111.8A29 G35 K36 E37A29-R33 WeakPolarHBondContact O-CB 3.33Å; A29-R33 PolarHBondContact O-N 2.75Å; R33-G35 VanDerWaalsContact C-N 3.27Å; R33-G35 PolarHBondContact O-N 3.33Å; R33-K36 PolarHBondContact O-N 3.09Å; R33-E37 WeakPolarHBondContact O-CB 3.4Å; R33-E37 PolarHBondContact O-N 2.72Å
34R97.4Very high96.4Very high155 Ų15594.3 Ų94.359%0.58545%0.451SS*.Hα-helixtrans-60.7-34.9176.1-73.6172.7-176.3166.7-0.4112.7A30 R31 N38A30-R34 WeakPolarHBondContact O-CB 3.49Å; A30-R34 VanDerWaalsContact O-CG 3.31Å; A30-R34 WeakPolarHBondContact O-CG 3.45Å; A30-R34 PolarHBondContact O-N 3.05Å; R31-R34 PolarHBondContact O-N 3.37Å; R34-N38 VanDerWaalsContact O-CB 3.27Å; R34-N38 WeakPolarHBondContact O-CB 3.23Å; R34-N38 PolarHBondContact O-N 3.3Å; R34-N38 PolarHBondContact O-OD1 3.24Å
35G97.3Very high96.7Very high43 Ų4390.7 Ų90.744%0.44343%0.434SS..Hα-helixtrans-64.1-47.4175.800000112.1R31 S32 R33 F39R31-G35 PolarHBondContact O-N 3.36Å; S32-G35 PolarHBondContact O-N 2.95Å; R33-G35 VanDerWaalsContact C-N 3.27Å; R33-G35 PolarHBondContact O-N 3.33Å; G35-F39 PolarHBondContact O-N 3.08Å; G35-F39 VanDerWaalsContact O-N 3.12Å
36K97.7Very high96.9Very high144 Ų14487.8 Ų87.863%0.62642%0.422SS*.Hα-helixtrans-63.5-49.9173.2-67.7-167.7175-160.10111.8S32 R33 N38 F39 E40S32-K36 PolarHBondContact O-N 3.37Å; R33-K36 PolarHBondContact O-N 3.09Å; K36-N38 VanDerWaalsContact C-N 3.33Å; K36-N38 PolarHBondContact O-N 3.25Å; K36-F39 WeakPolarHBondContact O-CA 3.27Å; K36-F39 WeakPolarHBondContact O-CB 3.35Å; K36-F39 PolarHBondContact O-N 3.3Å; K36-E40 WeakPolarHBondContact O-CG 3.39Å; K36-E40 PolarHBondContact O-N 2.7Å
37E96.7Very high97Very high73 Ų7390.5 Ų90.534%0.34143%0.43SS..Hα-helixtrans-50.6-50.1175.8-176.1-157.3129.100111.7R33 F39 E40 F41 K60R33-E37 WeakPolarHBondContact O-CB 3.4Å; R33-E37 PolarHBondContact O-N 2.72Å; E37-F39 VanDerWaalsContact C-N 3.31Å; E37-F39 PolarHBondContact O-N 2.94Å; E37-E40 PolarHBondContact O-N 3.35Å; E37-F41 HydrophobicContact CG-CD2 4.03Å; E37-F41 HydrophobicContact CG-CE2 3.87Å; E37-F41 WeakPolarHBondContact O-CD2 3.4Å; E37-F41 PolarHBondContact O-N 3.49Å; E37-K60 IonicContact OE1-NZ 2.66Å; E37-K60 PolarHBondContact OE1-NZ 2.7Å
38N97.1Very high97.1Very high85 Ų8585.3 Ų85.346%0.45541%0.411SS..Hα-helixtrans-61.4-35.6175.9-74.49.8000113.2R34 K36 Y42 K60R34-N38 VanDerWaalsContact O-CB 3.27Å; R34-N38 WeakPolarHBondContact O-CB 3.23Å; R34-N38 PolarHBondContact O-N 3.3Å; R34-N38 PolarHBondContact O-OD1 3.24Å; K36-N38 VanDerWaalsContact C-N 3.33Å; K36-N38 PolarHBondContact O-N 3.25Å; N38-Y42 PolarHBondContact O-N 3.34Å; N38-Y42 VanDerWaalsContact O-N 3.09Å; N38-K60 WeakPolarHBondContact OD1-CE 3.49Å; N38-K60 PolarHBondContact OD1-NZ 3.06Å
39F97.5Very high97.1Very high114 Ų11486.6 Ų86.650%0.542%0.423SS..Hα-helixtrans-67.7-48.6176175.1-96.6000111.2G35 K36 E37 F41 Y42 E43G35-F39 PolarHBondContact O-N 3.08Å; G35-F39 VanDerWaalsContact O-N 3.12Å; K36-F39 WeakPolarHBondContact O-CA 3.27Å; K36-F39 WeakPolarHBondContact O-CB 3.35Å; K36-F39 PolarHBondContact O-N 3.3Å; E37-F39 VanDerWaalsContact C-N 3.31Å; E37-F39 PolarHBondContact O-N 2.94Å; F39-F41 VanDerWaalsContact C-N 3.27Å; F39-F41 PolarHBondContact O-N 3.05Å; F39-Y42 PolarHBondContact O-N 2.8Å; F39-E43 HydrophobicContact CD1-CG 4.3Å; F39-E43 HydrophobicContact CD2-CG 4.41Å; F39-E43 HydrophobicContact CE1-CG 3.8Å; F39-E43 HydrophobicContact CE2-CG 3.92Å; F39-E43 HydrophobicContact CZ-CG 3.59Å; F39-E43 PolarHBondContact O-N 3.3Å
40E98Very high97Very high117 Ų11785.3 Ų85.355%0.54741%0.407SS..Hα-helixtrans-59.3-38.8175.5-52.6-48.5144.300111.6K36 E37 Y42 L44K36-E40 WeakPolarHBondContact O-CG 3.39Å; K36-E40 PolarHBondContact O-N 2.7Å; E37-E40 PolarHBondContact O-N 3.35Å; E40-Y42 VanDerWaalsContact C-N 3.34Å; E40-Y42 PolarHBondContact O-N 3.49Å; E40-L44 WeakPolarHBondContact O-CB 3.17Å; E40-L44 PolarHBondContact O-N 3.43Å
41F97.9Very high97Very high42 Ų4287.8 Ų87.818%0.18442%0.422CS..Hα-helixtrans-60.1-41.4172.9-91.1-69.3000112.7E37 F39 A45 K60 I63 I64E37-F41 HydrophobicContact CG-CD2 4.03Å; E37-F41 HydrophobicContact CG-CE2 3.87Å; E37-F41 WeakPolarHBondContact O-CD2 3.4Å; E37-F41 PolarHBondContact O-N 3.49Å; F39-F41 VanDerWaalsContact C-N 3.27Å; F39-F41 PolarHBondContact O-N 3.05Å; F41-A45 WeakPolarHBondContact O-CB 3.44Å; F41-A45 PolarHBondContact O-N 2.77Å; F41-K60 HydrophobicContact CD1-CB 4.12Å; F41-K60 HydrophobicContact CD1-CD 4.45Å; F41-K60 HydrophobicContact CD1-CG 3.87Å; F41-K60 HydrophobicContact CD2-CD 3.75Å; F41-K60 HydrophobicContact CD2-CG 4.01Å; F41-K60 HydrophobicContact CE1-CB 3.73Å; F41-K60 HydrophobicContact CE1-CD 4.29Å; F41-K60 HydrophobicContact CE1-CG 3.89Å; F41-K60 WeakPolarHBondContact CE1-O 3.15Å; F41-K60 HydrophobicContact CE2-CB 4.49Å; F41-K60 HydrophobicContact CE2-CD 3.59Å; F41-K60 HydrophobicContact CE2-CG 4.07Å; F41-K60 HydrophobicContact CG-CD 4.21Å; F41-K60 HydrophobicContact CG-CG 3.94Å; F41-K60 HydrophobicContact CZ-CB 3.95Å; F41-K60 HydrophobicContact CZ-CD 3.89Å; F41-K60 HydrophobicContact CZ-CG 4.02Å; F41-I63 HydrophobicContact CD1-CB 4.34Å; F41-I63 HydrophobicContact CD1-CD1 4.26Å; F41-I63 HydrophobicContact CD1-CG2 4.19Å; F41-I64 HydrophobicContact CE1-CD1 3.75Å; F41-I64 HydrophobicContact CE1-CG1 3.78Å; F41-I64 HydrophobicContact CZ-CD1 4.33Å; F41-I64 HydrophobicContact CZ-CG1 4.34Å
42Y95.9Very high96.9Very high123 Ų12383.4 Ų83.448%0.48242%0.422SS..Hα-helixtrans-72.5-41.5-178.9-174.1-115.8000112.3N38 F39 E40 A45 K46N38-Y42 PolarHBondContact O-N 3.34Å; N38-Y42 VanDerWaalsContact O-N 3.09Å; F39-Y42 PolarHBondContact O-N 2.8Å; E40-Y42 VanDerWaalsContact C-N 3.34Å; E40-Y42 PolarHBondContact O-N 3.49Å; Y42-A45 PolarHBondContact O-N 2.98Å; Y42-K46 WeakPolarHBondContact O-CG 3.45Å; Y42-K46 PolarHBondContact O-N 2.93Å
43E97.5Very high96.8Very high57 Ų5783.3 Ų83.327%0.26643%0.425SS..Hα-helixtrans-66.3-39.9173.2-59.9-48.4123.900111.4F39 A45 K46 L47F39-E43 HydrophobicContact CD1-CG 4.3Å; F39-E43 HydrophobicContact CD2-CG 4.41Å; F39-E43 HydrophobicContact CE1-CG 3.8Å; F39-E43 HydrophobicContact CE2-CG 3.92Å; F39-E43 HydrophobicContact CZ-CG 3.59Å; F39-E43 PolarHBondContact O-N 3.3Å; E43-A45 VanDerWaalsContact C-N 3.32Å; E43-A45 PolarHBondContact O-N 3.04Å; E43-K46 WeakPolarHBondContact O-CB 3.46Å; E43-K46 PolarHBondContact O-N 2.99Å; E43-K46 WeakPolarHBondContact OE1-CE 3.06Å; E43-K46 IonicContact OE1-NZ 2.64Å; E43-K46 PolarHBondContact OE1-NZ 3.13Å; E43-K46 IonicContact OE2-NZ 2.77Å; E43-K46 PolarHBondContact OE2-NZ 2.81Å; E43-L47 WeakPolarHBondContact O-CG 3.49Å; E43-L47 PolarHBondContact O-N 2.8Å
44L97.8Very high96.6Very high53 Ų5379.2 Ų79.228%0.27741%0.414SS..Hα-helixtrans-61.7-38.9174.1-178.159.4000112.3E40 K46 L47 I63 I64 T67E40-L44 WeakPolarHBondContact O-CB 3.17Å; E40-L44 PolarHBondContact O-N 3.43Å; L44-K46 PolarHBondContact O-N 3.08Å; L44-L47 PolarHBondContact O-N 2.68Å; L44-I63 HydrophobicContact CB-CG2 4.27Å; L44-I63 HydrophobicContact CD2-CG2 3.87Å; L44-I63 HydrophobicContact CG-CG2 3.88Å; L44-I64 HydrophobicContact CD2-CD1 4.13Å; L44-T67 HydrophobicContact CD1-CG2 4.01Å
45A97.7Very high96.5Very high2 Ų272.3 Ų72.32%0.01739%0.389CS..Hα-helixtrans-62.1-4117600000112.2F41 Y42 E43 L47 L48 T55 I63F41-A45 WeakPolarHBondContact O-CB 3.44Å; F41-A45 PolarHBondContact O-N 2.77Å; Y42-A45 PolarHBondContact O-N 2.98Å; E43-A45 VanDerWaalsContact C-N 3.32Å; E43-A45 PolarHBondContact O-N 3.04Å; A45-L47 PolarHBondContact O-N 2.73Å; A45-L48 WeakPolarHBondContact O-CB 3.3Å; A45-L48 PolarHBondContact O-N 3.15Å; A45-T55 VanDerWaalsContact O-CB 3.27Å; A45-T55 WeakPolarHBondContact O-CB 3.47Å; A45-T55 VanDerWaalsContact O-CG2 3.28Å; A45-T55 WeakPolarHBondContact O-CG2 3.36Å; A45-I63 HydrophobicContact CB-CD1 3.88Å; A45-I63 HydrophobicContact CB-CG1 4Å
46K96.9Very high96.3Very high104 Ų10473.4 Ų73.445%0.45239%0.39SS..Hα-helixtrans-63.2-25.6175.4-65.1173.5-167.4168.80113.7Y42 E43 L44 L48Y42-K46 WeakPolarHBondContact O-CG 3.45Å; Y42-K46 PolarHBondContact O-N 2.93Å; E43-K46 WeakPolarHBondContact O-CB 3.46Å; E43-K46 PolarHBondContact O-N 2.99Å; E43-K46 WeakPolarHBondContact OE1-CE 3.06Å; E43-K46 IonicContact OE1-NZ 2.64Å; E43-K46 PolarHBondContact OE1-NZ 3.13Å; E43-K46 IonicContact OE2-NZ 2.77Å; E43-K46 PolarHBondContact OE2-NZ 2.81Å; L44-K46 PolarHBondContact O-N 3.08Å; K46-L48 VanDerWaalsContact C-N 3.34Å
47L97.2Very high96.1Very high138 Ų13874.3 Ų74.372%0.72340%0.396SS*.THydrogen-bonded Turntrans-86.1-4-179.3-65.7172.4000113.3E43 L44 A45E43-L47 WeakPolarHBondContact O-CG 3.49Å; E43-L47 PolarHBondContact O-N 2.8Å; L44-L47 PolarHBondContact O-N 2.68Å; A45-L47 PolarHBondContact O-N 2.73Å
48L97.1Very high96.1Very high13 Ų1372.1 Ų72.17%0.06839%0.387CS..SBendtrans-71.4145.7171.6-65.8173.2000110.6A45 K46 L50 T55 L58 L66A45-L48 WeakPolarHBondContact O-CB 3.3Å; A45-L48 PolarHBondContact O-N 3.15Å; K46-L48 VanDerWaalsContact C-N 3.34Å; L48-L50 PolarHBondContact O-N 3.46Å; L48-T55 HydrophobicContact CB-CG2 4.17Å; L48-L58 HydrophobicContact CD1-CD1 3.58Å; L48-L66 HydrophobicContact CD1-CB 3.96Å; L48-L66 HydrophobicContact CD1-CD1 3.93Å; L48-L66 HydrophobicContact CD2-CB 3.92Å
49P95.6Very high96.1Very high88 Ų8872.2 Ų72.257%0.57139%0.387SS*.SBendtrans-78.458179.836.1-39.4000111.4Y70P49-Y70 HydrophobicContact CB-CE2 4.44Å; P49-Y70 HydrophobicContact CG-CD2 3.7Å; P49-Y70 HydrophobicContact CG-CE2 3.81Å; P49-Y70 HydrophobicContact CG-CG 4.39Å
50L95.2Very high96.1Very high31 Ų3170.6 Ų70.616%0.16238%0.38CS..SBendtrans-138.6150-176.1-69.5174.5000110.2L48 T55 L66 V172L48-L50 PolarHBondContact O-N 3.46Å; L50-T55 HydrophobicContact CB-CG2 3.58Å; L50-L66 HydrophobicContact CD1-CD1 3.92Å; L50-V172 HydrophobicContact CD1-CG2 4.11Å
51P95.3Very high96Very high70 Ų7068.1 Ų68.146%0.45538%0.38SS..  trans-53.6139.9175.6-27.634.7000113.5A53 I54 T55P51-A53 PolarHBondContact O-N 2.83Å; P51-A53 VanDerWaalsContact O-N 3.1Å; P51-I54 HydrophobicContact CG-CD1 4.4Å; P51-I54 WeakPolarHBondContact O-CA 3.48Å; P51-I54 WeakPolarHBondContact O-CB 3.31Å; P51-I54 PolarHBondContact O-N 2.8Å; P51-T55 PolarHBondContact O-N 3.16Å; P51-T55 VanDerWaalsContact O-N 3.1Å
52A93.8Very high96Very high76 Ų7666.7 Ų66.763%0.62838%0.375SS*.Hα-helixtrans-57.9-28.4-177.800000114I54 T55 S56A52-I54 PolarHBondContact O-N 2.82Å; A52-T55 WeakPolarHBondContact CA-OG1 3.44Å; A52-S56 WeakPolarHBondContact O-CB 3.48Å; A52-S56 PolarHBondContact O-N 3.25Å; A52-S56 PolarHBondContact O-OG 3.32Å
53A94.7Very high96.1Very high69 Ų6961.2 Ų61.257%0.5735%0.354SS*.Hα-helixtrans-64.5-26.2174.100000113.2P51 Q57P51-A53 PolarHBondContact O-N 2.83Å; P51-A53 VanDerWaalsContact O-N 3.1Å; A53-Q57 PolarHBondContact O-NE2 3.39Å
54I94.5Very high96.2Very high67 Ų6761.8 Ų61.834%0.34436%0.358SS..Hα-helixtrans-90-50.2175.9-59179.9000109.7P51 A52 S56 Q57 L58 V172P51-I54 HydrophobicContact CG-CD1 4.4Å; P51-I54 WeakPolarHBondContact O-CA 3.48Å; P51-I54 WeakPolarHBondContact O-CB 3.31Å; P51-I54 PolarHBondContact O-N 2.8Å; A52-I54 PolarHBondContact O-N 2.82Å; I54-S56 VanDerWaalsContact C-N 3.27Å; I54-S56 PolarHBondContact O-N 3.04Å; I54-Q57 PolarHBondContact O-N 3.05Å; I54-L58 HydrophobicContact CG2-CD2 4.4Å; I54-V172 HydrophobicContact CG2-CG2 3.94Å
55T94.4Very high96.2Very high9 Ų962 Ų626%0.05536%0.356CS..Hα-helixtrans-63.2-31.1-173.158.50000113.8A45 L48 L50 P51 A52 Q57 L58A45-T55 VanDerWaalsContact O-CB 3.27Å; A45-T55 WeakPolarHBondContact O-CB 3.47Å; A45-T55 VanDerWaalsContact O-CG2 3.28Å; A45-T55 WeakPolarHBondContact O-CG2 3.36Å; L48-T55 HydrophobicContact CB-CG2 4.17Å; L50-T55 HydrophobicContact CB-CG2 3.58Å; P51-T55 PolarHBondContact O-N 3.16Å; P51-T55 VanDerWaalsContact O-N 3.1Å; A52-T55 WeakPolarHBondContact CA-OG1 3.44Å; T55-Q57 PolarHBondContact O-N 2.9Å; T55-L58 HydrophobicContact CG2-CD1 4.38Å; T55-L58 PolarHBondContact O-N 3.27Å
56S93.1Very high96.2Very high67 Ų6762.6 Ų62.647%0.46936%0.358SS..THydrogen-bonded Turntrans-66.8-15.1174.553.10000114.9A52 I54A52-S56 WeakPolarHBondContact O-CB 3.48Å; A52-S56 PolarHBondContact O-N 3.25Å; A52-S56 PolarHBondContact O-OG 3.32Å; I54-S56 VanDerWaalsContact C-N 3.27Å; I54-S56 PolarHBondContact O-N 3.04Å
57Q94.6Very high96.3Very high162 Ų16258.9 Ų58.976%0.75734%0.344SS*.THydrogen-bonded Turntrans-109.80.3-177.3-60.3-17566.400113.6A53 I54 T55A53-Q57 PolarHBondContact O-NE2 3.39Å; I54-Q57 PolarHBondContact O-N 3.05Å; T55-Q57 PolarHBondContact O-N 2.9Å
58L96.3Very high96.3Very high28 Ų2856.7 Ų56.715%0.14733%0.332CS..  trans-69.9140.4-177.1-65.1173.8000112.8L48 I54 T55 I63 L66 V172L48-L58 HydrophobicContact CD1-CD1 3.58Å; I54-L58 HydrophobicContact CG2-CD2 4.4Å; T55-L58 HydrophobicContact CG2-CD1 4.38Å; T55-L58 PolarHBondContact O-N 3.27Å; L58-I63 HydrophobicContact CB-CD1 4.18Å; L58-I63 HydrophobicContact CB-CG1 3.67Å; L58-I63 HydrophobicContact CD1-CG1 4.13Å; L58-L66 HydrophobicContact CD1-CD1 3.81Å; L58-L66 HydrophobicContact CD2-CD1 4.09Å; L58-V172 HydrophobicContact CD2-CG1 3.53Å; L58-V172 HydrophobicContact CD2-CG2 4.48Å
59D96.8Very high96.4Very high86 Ų8656.4 Ų56.446%0.4633%0.332SS..  trans-74.7158.7167.280.6-87.7000111.7A61 S62 I63D59-A61 VanDerWaalsContact C-N 3.32Å; D59-A61 PolarHBondContact O-N 2.85Å; D59-A61 WeakPolarHBondContact OD2-CA 3.34Å; D59-A61 VanDerWaalsContact OD2-CB 3.29Å; D59-A61 WeakPolarHBondContact OD2-CB 3.47Å; D59-A61 PolarHBondContact OD2-N 3.25Å; D59-S62 PolarHBondContact O-N 3.11Å; D59-S62 WeakPolarHBondContact OD1-CB 3.31Å; D59-S62 PolarHBondContact OD1-OG 3.02Å; D59-S62 PolarHBondContact OD2-N 3.32Å; D59-I63 WeakPolarHBondContact O-CG1 3.45Å; D59-I63 PolarHBondContact O-N 3.21Å
60K97Very high96.5Very high80 Ų8057.4 Ų57.435%0.34833%0.325SS..Hα-helixtrans-58.4-36.5-177.9-74.8-173.2168.3-175.20114.6E37 N38 F41 I64E37-K60 IonicContact OE1-NZ 2.66Å; E37-K60 PolarHBondContact OE1-NZ 2.7Å; N38-K60 WeakPolarHBondContact OD1-CE 3.49Å; N38-K60 PolarHBondContact OD1-NZ 3.06Å; F41-K60 HydrophobicContact CD1-CB 4.12Å; F41-K60 HydrophobicContact CD1-CD 4.45Å; F41-K60 HydrophobicContact CD1-CG 3.87Å; F41-K60 HydrophobicContact CD2-CD 3.75Å; F41-K60 HydrophobicContact CD2-CG 4.01Å; F41-K60 HydrophobicContact CE1-CB 3.73Å; F41-K60 HydrophobicContact CE1-CD 4.29Å; F41-K60 HydrophobicContact CE1-CG 3.89Å; F41-K60 WeakPolarHBondContact CE1-O 3.15Å; F41-K60 HydrophobicContact CE2-CB 4.49Å; F41-K60 HydrophobicContact CE2-CD 3.59Å; F41-K60 HydrophobicContact CE2-CG 4.07Å; F41-K60 HydrophobicContact CG-CD 4.21Å; F41-K60 HydrophobicContact CG-CG 3.94Å; F41-K60 HydrophobicContact CZ-CB 3.95Å; F41-K60 HydrophobicContact CZ-CD 3.89Å; F41-K60 HydrophobicContact CZ-CG 4.02Å; K60-I64 PolarHBondContact O-N 3.49Å
61A97.6Very high96.6Very high66 Ų6659.2 Ų59.255%0.54533%0.334SS..Hα-helixtrans-73.5-40.9-179.800000110.4D59 I64 R65D59-A61 VanDerWaalsContact C-N 3.32Å; D59-A61 PolarHBondContact O-N 2.85Å; D59-A61 WeakPolarHBondContact OD2-CA 3.34Å; D59-A61 VanDerWaalsContact OD2-CB 3.29Å; D59-A61 WeakPolarHBondContact OD2-CB 3.47Å; D59-A61 PolarHBondContact OD2-N 3.25Å; A61-I64 PolarHBondContact O-N 2.74Å; A61-R65 WeakPolarHBondContact O-CB 3.35Å; A61-R65 PolarHBondContact O-N 3.27Å
62S97.4Very high96.6Very high12 Ų1259.9 Ų59.98%0.08433%0.33CS..Hα-helixtrans-62.9-38.7172.5-64.10000112.9D59 I64 R65 L66D59-S62 PolarHBondContact O-N 3.11Å; D59-S62 WeakPolarHBondContact OD1-CB 3.31Å; D59-S62 PolarHBondContact OD1-OG 3.02Å; D59-S62 PolarHBondContact OD2-N 3.32Å; S62-I64 PolarHBondContact O-N 2.95Å; S62-R65 PolarHBondContact O-N 3.01Å; S62-R65 PolarHBondContact OG-NH2 3.43Å; S62-L66 VanDerWaalsContact O-CB 3.32Å; S62-L66 WeakPolarHBondContact O-CB 3.47Å; S62-L66 WeakPolarHBondContact O-CG 3.48Å; S62-L66 PolarHBondContact O-N 2.95Å
63I98.3Very high96.7Very high8 Ų857.6 Ų57.64%0.04131%0.307CS..Hα-helixtrans-56.1-54174.6-66.7161.7000110.6F41 L44 A45 L58 D59 R65 L66 T67F41-I63 HydrophobicContact CD1-CB 4.34Å; F41-I63 HydrophobicContact CD1-CD1 4.26Å; F41-I63 HydrophobicContact CD1-CG2 4.19Å; L44-I63 HydrophobicContact CB-CG2 4.27Å; L44-I63 HydrophobicContact CD2-CG2 3.87Å; L44-I63 HydrophobicContact CG-CG2 3.88Å; A45-I63 HydrophobicContact CB-CD1 3.88Å; A45-I63 HydrophobicContact CB-CG1 4Å; L58-I63 HydrophobicContact CB-CD1 4.18Å; L58-I63 HydrophobicContact CB-CG1 3.67Å; L58-I63 HydrophobicContact CD1-CG1 4.13Å; D59-I63 WeakPolarHBondContact O-CG1 3.45Å; D59-I63 PolarHBondContact O-N 3.21Å; I63-R65 PolarHBondContact O-N 3.24Å; I63-L66 PolarHBondContact O-N 2.94Å; I63-T67 PolarHBondContact O-N 3.04Å; I63-T67 PolarHBondContact O-OG1 3.47Å
64I98.3Very high96.7Very high69 Ų6960 Ų6035%0.35430%0.301SS..Hα-helixtrans-62.1-43.6178.6-59.4-56.2000111.7F41 L44 K60 A61 S62 L66 T67 I68F41-I64 HydrophobicContact CE1-CD1 3.75Å; F41-I64 HydrophobicContact CE1-CG1 3.78Å; F41-I64 HydrophobicContact CZ-CD1 4.33Å; F41-I64 HydrophobicContact CZ-CG1 4.34Å; L44-I64 HydrophobicContact CD2-CD1 4.13Å; K60-I64 PolarHBondContact O-N 3.49Å; A61-I64 PolarHBondContact O-N 2.74Å; S62-I64 PolarHBondContact O-N 2.95Å; I64-L66 PolarHBondContact O-N 2.9Å; I64-T67 PolarHBondContact O-N 2.88Å; I64-I68 HydrophobicContact CG2-CD1 3.6Å; I64-I68 HydrophobicContact CG2-CG1 4.19Å; I64-I68 WeakPolarHBondContact O-CB 3.22Å; I64-I68 WeakPolarHBondContact O-CG1 3.18Å; I64-I68 PolarHBondContact O-N 2.97Å
65R98.1Very high96.5Very high58 Ų5860 Ų6022%0.21930%0.302CS..Hα-helixtrans-61.2-43.1-179.2-178.91715897.2-0.7111.6A61 S62 I63 S69 V172 E173 T175 S177A61-R65 WeakPolarHBondContact O-CB 3.35Å; A61-R65 PolarHBondContact O-N 3.27Å; S62-R65 PolarHBondContact O-N 3.01Å; S62-R65 PolarHBondContact OG-NH2 3.43Å; I63-R65 PolarHBondContact O-N 3.24Å; R65-S69 WeakPolarHBondContact O-CB 3.48Å; R65-S69 PolarHBondContact O-N 3.26Å; R65-S69 PolarHBondContact O-OG 3.38Å; R65-V172 PolarHBondContact NH1-O 2.92Å; R65-V172 VanDerWaalsContact NH1-O 3.16Å; R65-V172 PolarHBondContact NH2-O 2.89Å; R65-E173 PolarHBondContact NH1-O 3Å; R65-T175 WeakPolarHBondContact CG-O 3.32Å; R65-T175 PolarHBondContact NH1-O 2.89Å; R65-S177 PolarHBondContact NH1-OG 2.84Å; R65-S177 VanDerWaalsContact NH1-OG 3.17Å
66L98.3Very high96.4Very high13 Ų1360.1 Ų60.17%0.06830%0.301CS..Hα-helixtrans-67.9-44.3174.6-68170.6000111.7L48 L50 L58 S62 I63 I64 I68 S69 Y70 V172 T175L48-L66 HydrophobicContact CD1-CB 3.96Å; L48-L66 HydrophobicContact CD1-CD1 3.93Å; L48-L66 HydrophobicContact CD2-CB 3.92Å; L50-L66 HydrophobicContact CD1-CD1 3.92Å; L58-L66 HydrophobicContact CD1-CD1 3.81Å; L58-L66 HydrophobicContact CD2-CD1 4.09Å; S62-L66 VanDerWaalsContact O-CB 3.32Å; S62-L66 WeakPolarHBondContact O-CB 3.47Å; S62-L66 WeakPolarHBondContact O-CG 3.48Å; S62-L66 PolarHBondContact O-N 2.95Å; I63-L66 PolarHBondContact O-N 2.94Å; I64-L66 PolarHBondContact O-N 2.9Å; L66-I68 PolarHBondContact O-N 3.12Å; L66-S69 PolarHBondContact O-N 3.49Å; L66-Y70 VanDerWaalsContact O-CB 3.31Å; L66-Y70 WeakPolarHBondContact O-CB 3.34Å; L66-Y70 PolarHBondContact O-N 3.15Å; L66-V172 HydrophobicContact CD1-CG1 4.32Å; L66-T175 HydrophobicContact CD2-CG2 3.8Å
67T98.4Very high96.3Very high27 Ų2757.7 Ų57.717%0.16629%0.285CS..Hα-helixtrans-59.2-48.2176.1-57.90000112L44 I63 I64 S69 Y70 L71L44-T67 HydrophobicContact CD1-CG2 4.01Å; I63-T67 PolarHBondContact O-N 3.04Å; I63-T67 PolarHBondContact O-OG1 3.47Å; I64-T67 PolarHBondContact O-N 2.88Å; T67-S69 VanDerWaalsContact C-N 3.33Å; T67-S69 PolarHBondContact O-N 3.31Å; T67-Y70 PolarHBondContact O-N 2.92Å; T67-L71 HydrophobicContact CG2-CD1 4.07Å; T67-L71 WeakPolarHBondContact O-CG 3.34Å; T67-L71 PolarHBondContact O-N 3.13Å
68I98.2Very high96Very high92 Ų9253.2 Ų53.247%0.47227%0.267SS..Hα-helixtrans-61.7-43.2178.4-70.1173.1000110.6I64 L66 L71 K72I64-I68 HydrophobicContact CG2-CD1 3.6Å; I64-I68 HydrophobicContact CG2-CG1 4.19Å; I64-I68 WeakPolarHBondContact O-CB 3.22Å; I64-I68 WeakPolarHBondContact O-CG1 3.18Å; I64-I68 PolarHBondContact O-N 2.97Å; L66-I68 PolarHBondContact O-N 3.12Å; I68-L71 PolarHBondContact O-N 2.94Å; I68-K72 WeakPolarHBondContact O-CB 3.34Å; I68-K72 PolarHBondContact O-N 3.44Å
69S98.3Very high95.4Very high7 Ų755.9 Ų55.95%0.04928%0.278CS..Hα-helixtrans-67.4-42.7-179.3-54.10000111.6R65 L66 T67 L71 K72 M73 G176R65-S69 WeakPolarHBondContact O-CB 3.48Å; R65-S69 PolarHBondContact O-N 3.26Å; R65-S69 PolarHBondContact O-OG 3.38Å; L66-S69 PolarHBondContact O-N 3.49Å; T67-S69 VanDerWaalsContact C-N 3.33Å; T67-S69 PolarHBondContact O-N 3.31Å; S69-L71 PolarHBondContact O-N 3.32Å; S69-K72 PolarHBondContact O-N 3.48Å; S69-M73 WeakPolarHBondContact O-CB 3.23Å; S69-M73 PolarHBondContact O-N 2.92Å; S69-G176 WeakPolarHBondContact OG-CA 3.4Å; S69-G176 PolarHBondContact OG-N 2.86Å
70Y97.8Very high94.4Very high109 Ų10952 Ų5243%0.42726%0.259SS..Hα-helixtrans-61.3-43.2175.2174.8-106.4000112.5P49 L66 T67 M73 R74P49-Y70 HydrophobicContact CB-CE2 4.44Å; P49-Y70 HydrophobicContact CG-CD2 3.7Å; P49-Y70 HydrophobicContact CG-CE2 3.81Å; P49-Y70 HydrophobicContact CG-CG 4.39Å; L66-Y70 VanDerWaalsContact O-CB 3.31Å; L66-Y70 WeakPolarHBondContact O-CB 3.34Å; L66-Y70 PolarHBondContact O-N 3.15Å; T67-Y70 PolarHBondContact O-N 2.92Å; Y70-M73 PolarHBondContact O-N 2.83Å; Y70-R74 WeakPolarHBondContact O-CB 3.38Å; Y70-R74 PolarHBondContact O-N 3.27Å
71L97.6Very high93.3Very high69 Ų6954.5 Ų54.536%0.36128%0.276SS..Hα-helixtrans-64.4-50.1175.6-68.9172.1000111.1T67 I68 S69 M73 R74 D75T67-L71 HydrophobicContact CG2-CD1 4.07Å; T67-L71 WeakPolarHBondContact O-CG 3.34Å; T67-L71 PolarHBondContact O-N 3.13Å; I68-L71 PolarHBondContact O-N 2.94Å; S69-L71 PolarHBondContact O-N 3.32Å; L71-M73 VanDerWaalsContact C-N 3.26Å; L71-M73 PolarHBondContact O-N 3.49Å; L71-R74 PolarHBondContact O-N 2.87Å; L71-D75 PolarHBondContact O-N 3.31Å
72K96Very high92.4Very high83 Ų8355.7 Ų55.736%0.36128%0.279SS..Hα-helixtrans-57.7-37.7173.7-78.9-163.4174.4-162.70112.2I68 S69 D75 F76 N151 E153 L157I68-K72 WeakPolarHBondContact O-CB 3.34Å; I68-K72 PolarHBondContact O-N 3.44Å; S69-K72 PolarHBondContact O-N 3.48Å; K72-D75 PolarHBondContact O-N 2.79Å; K72-F76 VanDerWaalsContact O-CB 3.24Å; K72-F76 WeakPolarHBondContact O-CB 3.41Å; K72-F76 PolarHBondContact O-N 3.21Å; K72-N151 PolarHBondContact NZ-ND2 3.23Å; K72-E153 IonicContact NZ-OE1 3.92Å; K72-E153 IonicContact NZ-OE2 2.66Å; K72-E153 PolarHBondContact NZ-OE2 3.11Å; K72-L157 HydrophobicContact CB-CD2 3.57Å; K72-L157 HydrophobicContact CD-CD2 4.1Å; K72-L157 HydrophobicContact CG-CD2 4.5Å
73M95.3Very high91.7Very high29 Ų2958.1 Ų58.114%0.14329%0.294CS..Hα-helixtrans-67.4-44.4179.5-17858.7-177.700111.9S69 Y70 L71 D75 F76 A77 W84 A149 L157 Y158S69-M73 WeakPolarHBondContact O-CB 3.23Å; S69-M73 PolarHBondContact O-N 2.92Å; Y70-M73 PolarHBondContact O-N 2.83Å; L71-M73 VanDerWaalsContact C-N 3.26Å; L71-M73 PolarHBondContact O-N 3.49Å; M73-D75 VanDerWaalsContact C-N 3.33Å; M73-F76 PolarHBondContact O-N 3.41Å; M73-A77 VanDerWaalsContact O-CB 3.28Å; M73-A77 WeakPolarHBondContact O-CB 3.29Å; M73-A77 PolarHBondContact O-N 3.05Å; M73-W84 HydrophobicContact CE-CE3 4.29Å; M73-W84 HydrophobicContact CE-CZ3 3.61Å; M73-A149 HydrophobicContact CE-CB 4.21Å; M73-A149 HydrophobicContact SD-CB 4.15Å; M73-L157 HydrophobicContact CB-CB 4Å; M73-L157 HydrophobicContact CG-CB 4.33Å; M73-L157 HydrophobicContact SD-CB 3.58Å; M73-L157 VanDerWaalsContact SD-CB 3.58Å; M73-L157 HydrophobicContact SD-CD1 4.46Å; M73-Y158 HydrophobicContact CE-CD1 4.46Å; M73-Y158 HydrophobicContact CE-CG 3.95Å
74R93.5Very high91Very high118 Ų11863 Ų6345%0.44531%0.312SS..Hα-helixtrans-62.4-43.3174.3-173.2-169.766.6-170.9-2.3111Y70 L71 F76 A77 N78Y70-R74 WeakPolarHBondContact O-CB 3.38Å; Y70-R74 PolarHBondContact O-N 3.27Å; L71-R74 PolarHBondContact O-N 2.87Å; R74-F76 VanDerWaalsContact C-N 3.34Å; R74-A77 PolarHBondContact O-N 3.35Å; R74-N78 WeakPolarHBondContact O-CB 3.43Å; R74-N78 PolarHBondContact O-N 3.38Å; R74-N78 VanDerWaalsContact O-N 3.07Å; R74-N78 PolarHBondContact O-ND2 3.15Å; R74-N78 VanDerWaalsContact O-ND2 3.12Å
75D91.4Very high89.7Confident69 Ų6964.2 Ų64.237%0.36932%0.319SS..Hα-helixtrans-69.6-34179.9-62-8.4000111.2L71 K72 M73 Q79L71-D75 PolarHBondContact O-N 3.31Å; K72-D75 PolarHBondContact O-N 2.79Å; M73-D75 VanDerWaalsContact C-N 3.33Å; D75-Q79 WeakPolarHBondContact O-CB 3.18Å; D75-Q79 VanDerWaalsContact O-CG 3.28Å; D75-Q79 WeakPolarHBondContact O-CG 3.46Å; D75-Q79 PolarHBondContact O-N 3.11Å; D75-Q79 PolarHBondContact O-NE2 2.87Å
76F92.1Very high87.5Confident10 Ų1068.8 Ų68.84%0.04435%0.347CS..Hα-helixtrans-65.5-49.8170.3177.3-87.7000111.7K72 M73 R74 N78 Q79 W84 A149 L157 R278 M294 V297K72-F76 VanDerWaalsContact O-CB 3.24Å; K72-F76 WeakPolarHBondContact O-CB 3.41Å; K72-F76 PolarHBondContact O-N 3.21Å; M73-F76 PolarHBondContact O-N 3.41Å; R74-F76 VanDerWaalsContact C-N 3.34Å; F76-N78 PolarHBondContact O-N 2.97Å; F76-Q79 PolarHBondContact O-N 3.36Å; F76-W84 HydrophobicContact CD1-CH2 4.38Å; F76-W84 AromaticContact CE1-CH2 3.81Å; F76-W84 HydrophobicContact CE1-CH2 3.81Å; F76-W84 HydrophobicContact CE1-CZ2 4.2Å; F76-W84 HydrophobicContact CE1-CZ3 4.38Å; F76-A149 HydrophobicContact CE1-CB 4.36Å; F76-L157 HydrophobicContact CB-CD1 3.57Å; F76-L157 HydrophobicContact CD1-CD1 4.29Å; F76-L157 HydrophobicContact CD2-CD1 3.76Å; F76-L157 HydrophobicContact CG-CD1 3.64Å; F76-R278 HydrophobicContact CZ-CB 4.13Å; F76-R278 PolarHBondContact O-NH1 3.41Å; F76-M294 HydrophobicContact CB-CE 4.49Å; F76-M294 HydrophobicContact CD2-CB 3.97Å; F76-M294 HydrophobicContact CD2-CE 3.76Å; F76-M294 HydrophobicContact CE2-CB 3.69Å; F76-M294 HydrophobicContact CE2-CE 4.22Å; F76-M294 HydrophobicContact CG-CE 4.13Å; F76-M294 WeakPolarHBondContact O-CE 3.49Å; F76-V297 HydrophobicContact CE1-CG2 3.64Å; F76-V297 HydrophobicContact CZ-CG2 3.54Å
77A91.1Very high84.9Confident16 Ų1679 Ų7913%0.13239%0.385CS..Hα-helixtrans-53.4-41.217800000112M73 R74 P83 W84 R278M73-A77 VanDerWaalsContact O-CB 3.28Å; M73-A77 WeakPolarHBondContact O-CB 3.29Å; M73-A77 PolarHBondContact O-N 3.05Å; R74-A77 PolarHBondContact O-N 3.35Å; A77-P83 WeakPolarHBondContact O-CA 3.47Å; A77-W84 HydrophobicContact CB-CB 4.19Å; A77-W84 HydrophobicContact CB-CD2 4.33Å; A77-W84 HydrophobicContact CB-CE3 3.95Å; A77-W84 HydrophobicContact CB-CG 4.47Å; A77-W84 PolarHBondContact O-N 2.86Å; A77-R278 PolarHBondContact O-NH2 2.75Å; A77-R278 VanDerWaalsContact O-NH2 3.09Å
78N88.2Confident82.1Confident69 Ų6986 Ų8637%0.36942%0.418SS..Hα-helixtrans-75.2-23.2-179.7-74.2-28.3000116.1R74 F76 N85R74-N78 WeakPolarHBondContact O-CB 3.43Å; R74-N78 PolarHBondContact O-N 3.38Å; R74-N78 VanDerWaalsContact O-N 3.07Å; R74-N78 PolarHBondContact O-ND2 3.15Å; R74-N78 VanDerWaalsContact O-ND2 3.12Å; F76-N78 PolarHBondContact O-N 2.97Å; N78-N85 PolarHBondContact OD1-ND2 2.62Å
79Q84.1Confident78.9Confident83 Ų8390.9 Ų90.939%0.38844%0.438SS..Hα-helixtrans-101.7-18.7-166-84177.99600116.1D75 F76 R280 M294D75-Q79 WeakPolarHBondContact O-CB 3.18Å; D75-Q79 VanDerWaalsContact O-CG 3.28Å; D75-Q79 WeakPolarHBondContact O-CG 3.46Å; D75-Q79 PolarHBondContact O-N 3.11Å; D75-Q79 PolarHBondContact O-NE2 2.87Å; F76-Q79 PolarHBondContact O-N 3.36Å; Q79-R280 VanDerWaalsContact OE1-NH2 3.08Å; Q79-M294 HydrophobicContact CB-CE 3.6Å; Q79-M294 HydrophobicContact CB-SD 4.32Å
80G75.4Confident76.1Confident6 Ų693 Ų936%0.06246%0.461CS..SBendtrans-97167.5174.800000111.6P82 P83 R278G80-P82 CarbonylContact O-C 3.6Å; G80-P82 VanDerWaalsContact O-O 3.11Å; G80-P83 WeakPolarHBondContact O-CA 3.43Å; G80-P83 VanDerWaalsContact O-N 3.14Å; G80-R278 PolarHBondContact O-NH2 2.81Å
81D73.4Confident73.1Confident131 Ų13192.5 Ų92.570%0.70147%0.472SS*.SBendtrans-98.9137.8-175.5-16120.5000111.8
82P78.6Confident70.2Confident92 Ų9294.1 Ų94.160%0.59749%0.486SS*.SBendcis-62155.7-26.430.8-35.2000111.1G80 W84 R278G80-P82 CarbonylContact O-C 3.6Å; G80-P82 VanDerWaalsContact O-O 3.11Å; P82-W84 VanDerWaalsContact O-CD1 3.23Å; P82-R278 PolarHBondContact O-NH2 3.13Å
83P83Confident67.4Low63 Ų6396.6 Ų96.641%0.40951%0.511SS..PPolyproline II helixtrans-69.7131.7172.828.9-34000109.6A77 G80 N85A77-P83 WeakPolarHBondContact O-CA 3.47Å; G80-P83 WeakPolarHBondContact O-CA 3.43Å; G80-P83 VanDerWaalsContact O-N 3.14Å; P83-N85 PolarHBondContact O-N 2.79Å
84W84.6Confident64.8Low110 Ų110103 Ų10342%0.41755%0.546SS..SBendtrans-75.322.4-169.6-55.4-15.5000115.2M73 F76 A77 P82 V297M73-W84 HydrophobicContact CE-CE3 4.29Å; M73-W84 HydrophobicContact CE-CZ3 3.61Å; F76-W84 HydrophobicContact CD1-CH2 4.38Å; F76-W84 AromaticContact CE1-CH2 3.81Å; F76-W84 HydrophobicContact CE1-CH2 3.81Å; F76-W84 HydrophobicContact CE1-CZ2 4.2Å; F76-W84 HydrophobicContact CE1-CZ3 4.38Å; A77-W84 HydrophobicContact CB-CB 4.19Å; A77-W84 HydrophobicContact CB-CD2 4.33Å; A77-W84 HydrophobicContact CB-CE3 3.95Å; A77-W84 HydrophobicContact CB-CG 4.47Å; A77-W84 PolarHBondContact O-N 2.86Å; P82-W84 VanDerWaalsContact O-CD1 3.23Å; W84-V297 HydrophobicContact CH2-CB 4.44Å; W84-V297 HydrophobicContact CH2-CG1 3.73Å; W84-V297 HydrophobicContact CH2-CG2 3.81Å; W84-V297 HydrophobicContact CZ2-CG1 3.97Å; W84-V297 HydrophobicContact CZ2-CG2 3.91Å
85N70.1Confident62.4Low94 Ų94102.6 Ų102.650%0.50356%0.557SS.*  trans-78.4122.2169.1-64-75.8000108.4N78 P83 R87N78-N85 PolarHBondContact OD1-ND2 2.62Å; P83-N85 PolarHBondContact O-N 2.79Å; N85-R87 PolarHBondContact O-N 2.85Å
86L51.5Low60Low155 Ų155103.8 Ų103.881%0.81257%0.57SS**  trans-69.174.3159.7-7486.5000108.9M88L86-M88 PolarHBondContact O-N 2.93Å
87R44.3Very low57.6Low228 Ų228109 Ų10986%0.8660%0.603SS**  trans-68.6108.2150.7-79.3-165173.6-1380.9106N85 E89N85-R87 PolarHBondContact O-N 2.85Å; R87-E89 PolarHBondContact O-N 3.29Å
88M39.6Very low55.2Low174 Ų174117.5 Ų117.586%0.85764%0.637SS**  trans-43.9128.4148-67.8177.672.200107.2L86 G90L86-M88 PolarHBondContact O-N 2.93Å; M88-G90 PolarHBondContact O-N 3.46Å
89E32.1Very low52.9Low193 Ų193116.3 Ų116.390%0.90264%0.64SS**  trans-58.8113.8-174.5-165.9169.6-161.100109.1R87R87-E89 PolarHBondContact O-N 3.29Å
90G37.5Very low51.1Low51 Ų51118.1 Ų118.153%0.52665%0.652SS.*PPolyproline II helixtrans-64.6143.9176.900000109M88M88-G90 PolarHBondContact O-N 3.46Å
91P35.8Very low49.2Very low100 Ų100126.2 Ų126.265%0.64969%0.688SS**PPolyproline II helixtrans-54.3142179.923.4-33.7000110.4
92P36.6Very low47.6Very low103 Ų103126.5 Ų126.567%0.66969%0.687SS**PPolyproline II helixtrans-57.1154.9-167.820-32.7000112.7N94P92-N94 PolarHBondContact O-N 2.85Å
93P38.1Very low45.6Very low135 Ų135132 Ų13288%0.87770%0.695SS**THydrogen-bonded Turntrans-76.159.2-161.732.2-38.6000114
94N40.4Very low43.3Very low163 Ų163137.7 Ų137.787%0.87271%0.714SS**THydrogen-bonded Turntrans-150.319.7177.2-112-27.2000113.9P92P92-N94 PolarHBondContact O-N 2.85Å
95T43.2Very low41.1Very low110 Ų110136 Ų13668%0.67572%0.719SS**SBendtrans-104.4126.1170.253.30000110.9
96S39.8Very low39.7Very low93 Ų93136 Ų13665%0.6572%0.716SS**  trans-67.6154.3-167.177.90000114.3K98 G99S96-K98 PolarHBondContact O-N 3.36Å; S96-G99 PolarHBondContact O-N 3.04Å; S96-G99 VanDerWaalsContact O-N 3.11Å
97V43.3Very low39.3Very low121 Ų121136.6 Ų136.673%0.73372%0.719SS**G310 helixtrans-50.5-23.7-172.9179.60000114.7G99 I100V97-G99 VanDerWaalsContact C-N 3.25Å; V97-G99 PolarHBondContact O-N 2.66Å; V97-I100 HydrophobicContact CG1-CD1 4.42Å; V97-I100 PolarHBondContact O-N 3.47Å
98K39.5Very low39Very low194 Ų194130.8 Ų130.884%0.84371%0.712SS**G310 helixtrans-64.3-21178.6-70.5-176.4176178.90114.6S96S96-K98 PolarHBondContact O-N 3.36Å
99G40.1Very low38.9Very low43 Ų43129.9 Ų129.944%0.44371%0.707SS.*G310 helixtrans-74.6-28.5178.500000114.7S96 V97 Q101 M102S96-G99 PolarHBondContact O-N 3.04Å; S96-G99 VanDerWaalsContact O-N 3.11Å; V97-G99 VanDerWaalsContact C-N 3.25Å; V97-G99 PolarHBondContact O-N 2.66Å; G99-Q101 VanDerWaalsContact C-N 3.29Å; G99-Q101 PolarHBondContact O-N 2.76Å; G99-M102 PolarHBondContact O-N 2.92Å
100I46.9Very low39.3Very low122 Ų122129.7 Ų129.763%0.62670%0.698SS**Hα-helixtrans-63.9-34.1-166.6-60.8174.4000112.3V97V97-I100 HydrophobicContact CG1-CD1 4.42Å; V97-I100 PolarHBondContact O-N 3.47Å
101Q35.5Very low39.2Very low175 Ų175137.1 Ų137.182%0.81872%0.716SS**Hα-helixtrans-84.7-16.8-172.8-145.4149.5-8.700113.3G99G99-Q101 VanDerWaalsContact C-N 3.29Å; G99-Q101 PolarHBondContact O-N 2.76Å
102M38.6Very low39.1Very low138 Ų138137.3 Ų137.368%0.6872%0.716SS**Hα-helixtrans-83.6-46.1179.2-156171.880.600111.6G99 K104 S105 E106G99-M102 PolarHBondContact O-N 2.92Å; M102-K104 VanDerWaalsContact C-N 3.29Å; M102-K104 PolarHBondContact O-N 3.1Å; M102-S105 WeakPolarHBondContact O-CB 3.38Å; M102-S105 PolarHBondContact O-N 3.05Å; M102-S105 VanDerWaalsContact O-N 3.12Å; M102-E106 PolarHBondContact O-N 3.27Å
103W36.6Very low39.3Very low207 Ų207138.6 Ų138.678%0.78472%0.724SS**Hα-helixtrans-58.4-37.3178.9-97.359.9000113.4S105 E106W103-S105 PolarHBondContact O-N 2.89Å; W103-E106 PolarHBondContact O-N 2.86Å
104K35.1Very low39.1Very low183 Ų183137.5 Ų137.580%0.79672%0.718SS**Hα-helixtrans-70.8-15.7-178.7-148.1173.6-173.1179.10113.7M102M102-K104 VanDerWaalsContact C-N 3.29Å; M102-K104 PolarHBondContact O-N 3.1Å
105S38.7Very low39.1Very low74 Ų74139 Ų13952%0.51772%0.72SS.*Hα-helixtrans-87.2-41.2176.4-165.10000111.9M102 W103 L107 C108 M109M102-S105 WeakPolarHBondContact O-CB 3.38Å; M102-S105 PolarHBondContact O-N 3.05Å; M102-S105 VanDerWaalsContact O-N 3.12Å; W103-S105 PolarHBondContact O-N 2.89Å; S105-L107 VanDerWaalsContact C-N 3.28Å; S105-L107 PolarHBondContact O-N 3.22Å; S105-C108 PolarHBondContact O-N 3.01Å; S105-M109 PolarHBondContact O-N 2.7Å
106E40.3Very low39Very low95 Ų95137.8 Ų137.844%0.44473%0.73SS.*Hα-helixtrans-67.1-25.7-172.7-165.4165.9-174.200113.7M102 W103 C108 R110M102-E106 PolarHBondContact O-N 3.27Å; W103-E106 PolarHBondContact O-N 2.86Å; E106-C108 VanDerWaalsContact C-N 3.35Å; E106-R110 IonicContact OE1-CZ 2.64Å; E106-R110 IonicContact OE1-NH1 3.12Å; E106-R110 PolarHBondContact OE1-NH1 3.17Å; E106-R110 IonicContact OE1-NH2 2.79Å; E106-R110 PolarHBondContact OE1-NH2 2.96Å
107L42.8Very low38.9Very low167 Ų167137.6 Ų137.687%0.87473%0.734SS**THydrogen-bonded Turntrans-75.9-19.1173.7-162.367.9000113.5S105S105-L107 VanDerWaalsContact C-N 3.28Å; S105-L107 PolarHBondContact O-N 3.22Å
108C39.1Very low38.8Very low106 Ų106141.4 Ų141.472%0.71674%0.744SS**THydrogen-bonded Turntrans-101.4-14.5-174.7-162.40000113.9S105 E106S105-C108 PolarHBondContact O-N 3.01Å; E106-C108 VanDerWaalsContact C-N 3.35Å
109M36.5Very low39.1Very low154 Ų154143.5 Ų143.576%0.75975%0.746SS**SBendtrans-129.647.1-171-82.1-68.6-73.600114.2S105S105-M109 PolarHBondContact O-N 2.7Å
110R39.8Very low39.2Very low189 Ų189153.1 Ų153.171%0.71377%0.769SS**  trans-124.772.3158.8-75.8-157.5178100.16.4111.9E106E106-R110 IonicContact OE1-CZ 2.64Å; E106-R110 IonicContact OE1-NH1 3.12Å; E106-R110 PolarHBondContact OE1-NH1 3.17Å; E106-R110 IonicContact OE1-NH2 2.79Å; E106-R110 PolarHBondContact OE1-NH2 2.96Å
111K35.4Very low39.5Very low207 Ų207156 Ų15690%0.977%0.772SS**  trans-124.443.5167.4-155.5177.1-177.9177.80112.1
112T35.4Very low40.4Very low105 Ų105150.1 Ų150.164%0.64475%0.75SS**SBendtrans-133.4137.8170.340.10000108.9C114T112-C114 PolarHBondContact O-N 3.24Å
113P40.8Very low41.3Very low129 Ų129148.9 Ų148.984%0.83875%0.752SS**  trans-79.1100.4177.331-31.9000109.9
114C32.7Very low42.1Very low112 Ų112142.4 Ų142.476%0.75774%0.739SS**  trans-87.3106.8167.6-63.50000109.4T112T112-C114 PolarHBondContact O-N 3.24Å
115E40.2Very low43.4Very low194 Ų194135.4 Ų135.491%0.90772%0.715SS**  trans-62.5156.9165.3-60.7-179122.200110.5
116G42Very low44.5Very low86 Ų86135.9 Ų135.989%0.88771%0.711SS**SBendtrans93.629.4168.100000118.1
117A37.6Very low45.5Very low88 Ų88133.2 Ų133.273%0.72771%0.705SS**  trans-147.680.2166.500000113.8R119A117-R119 PolarHBondContact O-N 3.03Å
118Q40.3Very low46.6Very low202 Ų202130.1 Ų130.194%0.94469%0.689SS**  trans-72.670.3171.3-75.8-172.5-32.700112.5R120Q118-R120 PolarHBondContact O-N 3.4Å
119R46.3Very low48Very low238 Ų238130.1 Ų130.190%0.89868%0.678SS**  trans-63.4115.7150.8-82.1-166.8178.6-163.81.4107A117 R121A117-R119 PolarHBondContact O-N 3.03Å; R119-R121 PolarHBondContact O-N 3.41Å
120R43.7Very low49.7Very low245 Ų245127 Ų12793%0.92567%0.668SS**  trans-58.4105.5165.9-74.6-172.6174.7-147.30.4108.1Q118 S122Q118-R120 PolarHBondContact O-N 3.4Å; R120-S122 PolarHBondContact O-N 2.99Å
121R53.1Low51.3Low182 Ų182124.3 Ų124.369%0.68766%0.661SS**  trans-57.5125.3158-79.4-174.1167.6104.2-6.2106.3R119 L126R119-R121 PolarHBondContact O-N 3.41Å; R121-L126 HydrophobicContact CB-CD1 4.5Å
122S53.6Low53.4Low52 Ų52120 Ų12036%0.36464%0.644SS.*  trans-68.3147.5174.8580000109.3R120 S124 A125 L126R120-S122 PolarHBondContact O-N 2.99Å; S122-S124 WeakPolarHBondContact CB-OG 3.18Å; S122-S124 PolarHBondContact O-N 3.28Å; S122-S124 VanDerWaalsContact O-N 3.16Å; S122-S124 PolarHBondContact OG-OG 2.98Å; S122-A125 PolarHBondContact O-N 2.84Å; S122-A125 PolarHBondContact OG-N 3.45Å; S122-L126 PolarHBondContact O-N 3.03Å
123P57.4Low55.4Low111 Ų111118.5 Ų118.572%0.72164%0.643SS**Hα-helixtrans-55.2-29.9170.5-27.236000112.5A127P123-A127 WeakPolarHBondContact O-CB 3.45Å; P123-A127 PolarHBondContact O-N 2.82Å
124S53.8Low57.5Low72 Ų72117.1 Ų117.150%0.50363%0.625SS.*Hα-helixtrans-63.9-37.7173.753.40000113.9S122 A127 I128S122-S124 WeakPolarHBondContact CB-OG 3.18Å; S122-S124 PolarHBondContact O-N 3.28Å; S122-S124 VanDerWaalsContact O-N 3.16Å; S122-S124 PolarHBondContact OG-OG 2.98Å; S124-A127 PolarHBondContact O-N 3.27Å; S124-I128 WeakPolarHBondContact O-CD1 3.38Å; S124-I128 VanDerWaalsContact O-CG1 3.23Å; S124-I128 WeakPolarHBondContact O-CG1 3.49Å; S124-I128 PolarHBondContact O-N 3.14Å
125A62.5Low60Low35 Ų35115.9 Ų115.929%0.28961%0.61SS.*Hα-helixtrans-67.1-43.7178.200000111.3S122 I128 E129S122-A125 PolarHBondContact O-N 2.84Å; S122-A125 PolarHBondContact OG-N 3.45Å; A125-I128 PolarHBondContact O-N 2.88Å; A125-E129 WeakPolarHBondContact O-CG 3.24Å; A125-E129 PolarHBondContact O-N 2.92Å
126L61.5Low62.3Low84 Ų84108.9 Ų108.944%0.4459%0.59SS.*Hα-helixtrans-66.7-36.4175.4-73165.1000112.2R121 S122 V130R121-L126 HydrophobicContact CB-CD1 4.5Å; S122-L126 PolarHBondContact O-N 3.03Å; L126-V130 WeakPolarHBondContact O-CB 3.45Å; L126-V130 VanDerWaalsContact O-CG2 3.28Å; L126-V130 WeakPolarHBondContact O-CG2 3.4Å; L126-V130 PolarHBondContact O-N 3.23Å
127A61.5Low64.5Low39 Ų39108 Ų10832%0.32257%0.57SS.*Hα-helixtrans-63.7-43.9173.700000111.7P123 S124 V130 F131P123-A127 WeakPolarHBondContact O-CB 3.45Å; P123-A127 PolarHBondContact O-N 2.82Å; S124-A127 PolarHBondContact O-N 3.27Å; A127-V130 PolarHBondContact O-N 3.3Å; A127-F131 HydrophobicContact CB-CD2 4.37Å; A127-F131 HydrophobicContact CB-CE2 4.29Å; A127-F131 WeakPolarHBondContact O-CD2 3.4Å; A127-F131 PolarHBondContact O-N 3.31Å
128I65.1Low67.1Low102 Ų102107.6 Ų107.652%0.52355%0.553SS.*Hα-helixtrans-60.3-51.6175.1-68.8162.2000110.1S124 A125 V130 F131 E132S124-I128 WeakPolarHBondContact O-CD1 3.38Å; S124-I128 VanDerWaalsContact O-CG1 3.23Å; S124-I128 WeakPolarHBondContact O-CG1 3.49Å; S124-I128 PolarHBondContact O-N 3.14Å; A125-I128 PolarHBondContact O-N 2.88Å; I128-V130 PolarHBondContact O-N 2.91Å; I128-F131 PolarHBondContact O-N 3.18Å; I128-E132 WeakPolarHBondContact O-CB 3.38Å; I128-E132 PolarHBondContact O-N 2.8Å
129E69.1Low69.6Low107 Ų107102.2 Ų102.250%0.553%0.53SS..Hα-helixtrans-54.2-38.3177.5-74.1174.1-178.100112.5A125 A133A125-E129 WeakPolarHBondContact O-CG 3.24Å; A125-E129 PolarHBondContact O-N 2.92Å; E129-A133 WeakPolarHBondContact O-CB 3.28Å; E129-A133 PolarHBondContact O-N 2.69Å
130V72.4Confident71.9Confident88 Ų8892.6 Ų92.653%0.53350%0.496SS..Hα-helixtrans-75.2-43.6179.6168.70000113L126 A127 I128 H134L126-V130 WeakPolarHBondContact O-CB 3.45Å; L126-V130 VanDerWaalsContact O-CG2 3.28Å; L126-V130 WeakPolarHBondContact O-CG2 3.4Å; L126-V130 PolarHBondContact O-N 3.23Å; A127-V130 PolarHBondContact O-N 3.3Å; I128-V130 PolarHBondContact O-N 2.91Å; V130-H134 PolarHBondContact O-ND1 3.22Å
131F72.8Confident74.2Confident133 Ų13388.2 Ų88.258%0.58349%0.486SS*.Hα-helixtrans-74.7-36.8-179.7-71.4-57.3000112.4A127 I128 H134 L135A127-F131 HydrophobicContact CB-CD2 4.37Å; A127-F131 HydrophobicContact CB-CE2 4.29Å; A127-F131 WeakPolarHBondContact O-CD2 3.4Å; A127-F131 PolarHBondContact O-N 3.31Å; I128-F131 PolarHBondContact O-N 3.18Å; F131-H134 PolarHBondContact O-N 2.8Å; F131-L135 WeakPolarHBondContact O-CA 3.29Å; F131-L135 PolarHBondContact O-N 3.3Å
132E79.2Confident76.1Confident116 Ų11684.5 Ų84.554%0.54249%0.488SS..Hα-helixtrans-64.5-42.8178.6-172.9171.3-166.200111.4I128 H134 L135I128-E132 WeakPolarHBondContact O-CB 3.38Å; I128-E132 PolarHBondContact O-N 2.8Å; E132-H134 PolarHBondContact O-N 3.38Å; E132-H134 VanDerWaalsContact O-N 3.11Å; E132-L135 WeakPolarHBondContact O-CB 3.41Å; E132-L135 PolarHBondContact O-N 3.13Å
133A78.3Confident78Confident73 Ų7384.7 Ų84.760%0.60349%0.485SS*.THydrogen-bonded Turntrans-59.8-23.1178.600000114.5E129E129-A133 WeakPolarHBondContact O-CB 3.28Å; E129-A133 PolarHBondContact O-N 2.69Å
134H84.3Confident79.6Confident101 Ų10184.8 Ų84.847%0.46848%0.479SS..THydrogen-bonded Turntrans-119.18.2-177.1-55.893.7000113.2V130 F131 E132 G136 S137 H138V130-H134 PolarHBondContact O-ND1 3.22Å; F131-H134 PolarHBondContact O-N 2.8Å; E132-H134 PolarHBondContact O-N 3.38Å; E132-H134 VanDerWaalsContact O-N 3.11Å; H134-G136 VanDerWaalsContact C-N 3.34Å; H134-G136 PolarHBondContact O-N 3.07Å; H134-S137 WeakPolarHBondContact O-CB 3.17Å; H134-S137 PolarHBondContact O-N 3.14Å; H134-H138 PolarHBondContact O-N 3.1Å
135L86.6Confident81.6Confident85 Ų8581.3 Ų81.345%0.44546%0.455SS..Hα-helixtrans-54.6-44.4-169.5179.560.1000113.2F131 E132 S137 H138 I139F131-L135 WeakPolarHBondContact O-CA 3.29Å; F131-L135 PolarHBondContact O-N 3.3Å; E132-L135 WeakPolarHBondContact O-CB 3.41Å; E132-L135 PolarHBondContact O-N 3.13Å; L135-S137 PolarHBondContact O-N 2.89Å; L135-H138 PolarHBondContact O-N 2.82Å; L135-I139 HydrophobicContact CD1-CD1 3.97Å; L135-I139 HydrophobicContact CD1-CG1 4.21Å; L135-I139 HydrophobicContact CG-CD1 3.87Å; L135-I139 VanDerWaalsContact O-CG1 3.29Å; L135-I139 WeakPolarHBondContact O-CG1 3.27Å; L135-I139 PolarHBondContact O-N 3.23Å
136G87.9Confident83.2Confident48 Ų4879.7 Ų79.750%0.49544%0.441SS..Hα-helixtrans-61.8-41.3178.100000113.3H134 L140H134-G136 VanDerWaalsContact C-N 3.34Å; H134-G136 PolarHBondContact O-N 3.07Å; G136-L140 WeakPolarHBondContact O-CG 3.38Å; G136-L140 PolarHBondContact O-N 3.27Å; G136-L140 VanDerWaalsContact O-N 3.1Å
137S88.8Confident85Confident66 Ų6677.2 Ų77.246%0.46243%0.43SS..Hα-helixtrans-67.2-40.9176.1-56.30000111.5H134 L135 L140 Q141H134-S137 WeakPolarHBondContact O-CB 3.17Å; H134-S137 PolarHBondContact O-N 3.14Å; L135-S137 PolarHBondContact O-N 2.89Å; S137-L140 PolarHBondContact O-N 3.24Å; S137-Q141 VanDerWaalsContact O-CB 3.26Å; S137-Q141 WeakPolarHBondContact O-CB 3.36Å; S137-Q141 WeakPolarHBondContact O-CG 3.45Å; S137-Q141 PolarHBondContact O-N 2.94Å
138H91.1Very high86.7Confident81 Ų8175.3 Ų75.338%0.37541%0.414SS..Hα-helixtrans-64.2-45.2175.9-71.2-41.4000112.2H134 L135 L140 Q141 S142H134-H138 PolarHBondContact O-N 3.1Å; L135-H138 PolarHBondContact O-N 2.82Å; H138-L140 PolarHBondContact O-N 2.85Å; H138-Q141 PolarHBondContact O-N 3.12Å; H138-S142 WeakPolarHBondContact O-CB 3.37Å; H138-S142 PolarHBondContact O-N 2.82Å; H138-S142 PolarHBondContact O-OG 2.95Å
139I93.4Very high88.3Confident89 Ų8970.6 Ų70.646%0.45639%0.39SS..Hα-helixtrans-55.9-50.7175.2-70.1164.7000110.6L135 Q141 S142 L143L135-I139 HydrophobicContact CD1-CD1 3.97Å; L135-I139 HydrophobicContact CD1-CG1 4.21Å; L135-I139 HydrophobicContact CG-CD1 3.87Å; L135-I139 VanDerWaalsContact O-CG1 3.29Å; L135-I139 WeakPolarHBondContact O-CG1 3.27Å; L135-I139 PolarHBondContact O-N 3.23Å; I139-Q141 PolarHBondContact O-N 3.02Å; I139-S142 PolarHBondContact O-N 3.01Å; I139-L143 HydrophobicContact CG2-CD1 4.17Å; I139-L143 WeakPolarHBondContact O-CG 3.35Å; I139-L143 PolarHBondContact O-N 2.83Å
140L94.4Very high89.7Confident36 Ų3665.5 Ų65.519%0.18837%0.366CS..Hα-helixtrans-70.5-28.9-177.6-66.5-178.9000113.6G136 S137 H138 V147 T162G136-L140 WeakPolarHBondContact O-CG 3.38Å; G136-L140 PolarHBondContact O-N 3.27Å; G136-L140 VanDerWaalsContact O-N 3.1Å; S137-L140 PolarHBondContact O-N 3.24Å; H138-L140 PolarHBondContact O-N 2.85Å; L140-V147 HydrophobicContact CD2-CG2 4.22Å; L140-T162 HydrophobicContact CB-CG2 4.24Å
141Q92Very high90.8Very high153 Ų15361.4 Ų61.472%0.71534%0.342SS*.Hα-helixtrans-84.1-17.6177.2-71.2173.9-0.500113.9S137 H138 I139S137-Q141 VanDerWaalsContact O-CB 3.26Å; S137-Q141 WeakPolarHBondContact O-CB 3.36Å; S137-Q141 WeakPolarHBondContact O-CG 3.45Å; S137-Q141 PolarHBondContact O-N 2.94Å; H138-Q141 PolarHBondContact O-N 3.12Å; I139-Q141 PolarHBondContact O-N 3.02Å
142S93.5Very high91.7Very high103 Ų10359 Ų5972%0.7233%0.332SS*.Hα-helixtrans-93.7-12.3176-66.90000114.1H138 I139H138-S142 WeakPolarHBondContact O-CB 3.37Å; H138-S142 PolarHBondContact O-N 2.82Å; H138-S142 PolarHBondContact O-OG 2.95Å; I139-S142 PolarHBondContact O-N 3.01Å
143L93.4Very high92.5Very high56 Ų5657.3 Ų57.329%0.29332%0.324SS..SBendtrans-85.5123.9172.5-71.4169.8000110.4I139 G145 V147 V299I139-L143 HydrophobicContact CG2-CD1 4.17Å; I139-L143 WeakPolarHBondContact O-CG 3.35Å; I139-L143 PolarHBondContact O-N 2.83Å; L143-G145 PolarHBondContact O-N 2.93Å; L143-V147 HydrophobicContact CD1-CG2 3.47Å; L143-V147 VanDerWaalsContact CD1-CG2 3.47Å; L143-V299 HydrophobicContact CD2-CG1 4.33Å
144D90.3Very high93.3Very high113 Ų11353.9 Ų53.960%0.60430%0.296SS*.SBendtrans-78.869.9169.3-167.522.2000110.6Y166 H301D144-Y166 WeakPolarHBondContact CA-OH 3.36Å; D144-Y166 VanDerWaalsContact OD1-CE1 3.28Å; D144-Y166 WeakPolarHBondContact OD1-CE1 3.42Å; D144-Y166 PolarHBondContact OD1-OH 2.9Å; D144-H301 PolarHBondContact O-ND1 2.79Å
145G94.7Very high94Very high0 Ų052.9 Ų52.90%029%0.29CS..SBendtrans165.7-155.8-177.300000114L143 T162 Y166 A300L143-G145 PolarHBondContact O-N 2.93Å; G145-T162 PolarHBondContact O-OG1 3.05Å; G145-Y166 VanDerWaalsContact CA-CE2 3.46Å; G145-Y166 VanDerWaalsContact N-CZ 3.27Å; G145-Y166 PolarHBondContact N-OH 2.85Å; G145-Y166 VanDerWaalsContact N-OH 3.16Å; G145-Y166 WeakPolarHBondContact O-CE2 3.32Å; G145-A300 VanDerWaalsContact CA-O 3.29Å; G145-A300 WeakPolarHBondContact CA-O 3.39Å
146F97.8Very high94.5Very high0 Ų048.8 Ų48.80%027%0.269CS..EExtended strand (participates in β ladder)trans-136147.917858.3-82.1000111.4F148 I159 S160 T162 V163 Y166 L167 M252 I271 A300F146-F148 AromaticContact CD2-CD1 3.86Å; F146-F148 HydrophobicContact CD2-CD1 3.86Å; F146-F148 HydrophobicContact CD2-CE1 4.35Å; F146-F148 AromaticContact CE2-CD1 3.7Å; F146-F148 HydrophobicContact CE2-CD1 3.7Å; F146-F148 AromaticContact CE2-CE1 3.75Å; F146-F148 HydrophobicContact CE2-CE1 3.75Å; F146-I159 HydrophobicContact CD2-CD1 3.77Å; F146-I159 HydrophobicContact CD2-CG1 4.12Å; F146-I159 HydrophobicContact CE2-CD1 3.97Å; F146-S160 VanDerWaalsContact CA-OG 3.32Å; F146-S160 WeakPolarHBondContact CA-OG 3.4Å; F146-S160 WeakPolarHBondContact CB-OG 3.18Å; F146-T162 WeakPolarHBondContact CA-OG1 3.39Å; F146-T162 WeakPolarHBondContact CB-OG1 3.44Å; F146-V163 HydrophobicContact CB-CB 4.01Å; F146-V163 HydrophobicContact CD1-CB 4.47Å; F146-V163 HydrophobicContact CD1-CG2 4.27Å; F146-V163 HydrophobicContact CD2-CB 3.97Å; F146-V163 HydrophobicContact CD2-CG2 3.76Å; F146-V163 HydrophobicContact CE1-CG2 4.38Å; F146-V163 HydrophobicContact CE2-CG2 3.87Å; F146-V163 HydrophobicContact CG-CB 3.91Å; F146-V163 HydrophobicContact CG-CG2 3.97Å; F146-V163 HydrophobicContact CZ-CG2 4.19Å; F146-Y166 HydrophobicContact CD1-CD2 4.21Å; F146-Y166 HydrophobicContact CD1-CG 4.36Å; F146-L167 HydrophobicContact CE1-CD1 4.28Å; F146-L167 HydrophobicContact CE1-CG 4.43Å; F146-L167 HydrophobicContact CZ-CD1 3.88Å; F146-M252 HydrophobicContact CE2-SD 4.44Å; F146-M252 HydrophobicContact CZ-SD 4.11Å; F146-I271 HydrophobicContact CE1-CD1 4.11Å; F146-I271 HydrophobicContact CZ-CD1 4.3Å; F146-I271 HydrophobicContact CZ-CG1 4.43Å; F146-I271 HydrophobicContact CZ-CG2 4.19Å; F146-A300 HydrophobicContact CD1-CB 4.32Å; F146-A300 WeakPolarHBondContact CD1-O 3.43Å; F146-A300 HydrophobicContact CD2-CB 3.96Å; F146-A300 HydrophobicContact CE1-CB 4.01Å; F146-A300 HydrophobicContact CE2-CB 3.65Å; F146-A300 HydrophobicContact CG-CB 4.29Å; F146-A300 HydrophobicContact CZ-CB 3.67Å; F146-A300 PolarHBondContact N-O 3.28Å; F146-A300 WeakPolarHBondContact O-CB 3.13Å; F146-A300 PolarHBondContact O-N 3.33Å
147V98.3Very high95Very high32 Ų3247 Ų4719%0.19425%0.247CC..EExtended strand (participates in β ladder)trans-105.1135.9-178-176.70000108.5L140 L143 I159 S160 V298 V299L140-V147 HydrophobicContact CD2-CG2 4.22Å; L143-V147 HydrophobicContact CD1-CG2 3.47Å; L143-V147 VanDerWaalsContact CD1-CG2 3.47Å; V147-I159 CarbonylContact O-C 3.59Å; V147-I159 VanDerWaalsContact O-CA 3.32Å; V147-I159 WeakPolarHBondContact O-CA 3.26Å; V147-S160 PolarHBondContact N-OG 3.02Å; V147-S160 PolarHBondContact O-N 2.64Å; V147-V298 WeakPolarHBondContact CA-O 3.47Å; V147-V299 HydrophobicContact CG2-CG2 4.39Å
148F98.3Very high95.5Very high0 Ų047.3 Ų47.30%024%0.239CC..EExtended strand (participates in β ladder)trans-143.5155.8171.966.4-98.7000114.3F146 L150 F156 Y158 I159 I273 V298 A300F146-F148 AromaticContact CD2-CD1 3.86Å; F146-F148 HydrophobicContact CD2-CD1 3.86Å; F146-F148 HydrophobicContact CD2-CE1 4.35Å; F146-F148 AromaticContact CE2-CD1 3.7Å; F146-F148 HydrophobicContact CE2-CD1 3.7Å; F146-F148 AromaticContact CE2-CE1 3.75Å; F146-F148 HydrophobicContact CE2-CE1 3.75Å; F148-L150 HydrophobicContact CD2-CD1 4.48Å; F148-L150 HydrophobicContact CD2-CD2 3.83Å; F148-L150 HydrophobicContact CD2-CG 3.8Å; F148-L150 HydrophobicContact CE2-CD1 3.9Å; F148-L150 HydrophobicContact CE2-CD2 3.96Å; F148-L150 HydrophobicContact CE2-CG 3.72Å; F148-F156 HydrophobicContact CB-CD1 4.13Å; F148-F156 HydrophobicContact CB-CE1 4.26Å; F148-F156 HydrophobicContact CD1-CE1 4.38Å; F148-F156 HydrophobicContact CD2-CD1 4.03Å; F148-F156 AromaticContact CD2-CE1 3.75Å; F148-F156 HydrophobicContact CD2-CE1 3.75Å; F148-F156 HydrophobicContact CE2-CE1 4.05Å; F148-F156 HydrophobicContact CG-CD1 4.22Å; F148-F156 AromaticContact CG-CE1 3.92Å; F148-F156 HydrophobicContact CG-CE1 3.92Å; F148-F156 HydrophobicContact CZ-CE1 4.46Å; F148-Y158 VanDerWaalsContact CA-O 3.3Å; F148-Y158 WeakPolarHBondContact CA-O 3.39Å; F148-Y158 VanDerWaalsContact CB-O 3.3Å; F148-Y158 WeakPolarHBondContact CB-O 3.42Å; F148-I159 HydrophobicContact CB-CB 3.88Å; F148-I159 HydrophobicContact CB-CD1 3.88Å; F148-I159 HydrophobicContact CB-CG1 3.84Å; F148-I159 HydrophobicContact CD1-CD1 4.11Å; F148-I159 HydrophobicContact CG-CD1 4.26Å; F148-I273 HydrophobicContact CZ-CD1 3.93Å; F148-V298 HydrophobicContact CD1-CG2 3.93Å; F148-V298 HydrophobicContact CD2-CG2 3.51Å; F148-V298 HydrophobicContact CE1-CG2 3.8Å; F148-V298 HydrophobicContact CE2-CG2 3.35Å; F148-V298 HydrophobicContact CG-CG2 3.81Å; F148-V298 HydrophobicContact CZ-CG2 3.52Å; F148-V298 PolarHBondContact N-O 2.89Å; F148-V298 PolarHBondContact O-N 3.11Å; F148-A300 HydrophobicContact CD1-CB 4.08Å; F148-A300 HydrophobicContact CE1-CB 3.64Å
149A98.3Very high95.8Very high2 Ų243.4 Ų43.42%0.01722%0.221CC..EExtended strand (participates in β ladder)trans-122.3119.3173.700000109M73 F76 L157 Y158 L296 V297M73-A149 HydrophobicContact CE-CB 4.21Å; M73-A149 HydrophobicContact SD-CB 4.15Å; F76-A149 HydrophobicContact CE1-CB 4.36Å; A149-L157 PolarHBondContact O-N 3.13Å; A149-Y158 PolarHBondContact N-O 3.07Å; A149-Y158 PolarHBondContact O-N 2.8Å; A149-L296 CarbonylContact C-O 3.58Å; A149-L296 WeakPolarHBondContact CA-O 3.33Å; A149-V297 HydrophobicContact CB-CG2 4.45Å
150L98.2Very high96Very high0 Ų039.2 Ų39.20%020%0.2CC..EExtended strand (participates in β ladder)trans-95.7151.2168.7-55.9-177.1000109.8F148 K155 F156 V179 M191 L195 G295 L296F148-L150 HydrophobicContact CD2-CD1 4.48Å; F148-L150 HydrophobicContact CD2-CD2 3.83Å; F148-L150 HydrophobicContact CD2-CG 3.8Å; F148-L150 HydrophobicContact CE2-CD1 3.9Å; F148-L150 HydrophobicContact CE2-CD2 3.96Å; F148-L150 HydrophobicContact CE2-CG 3.72Å; L150-K155 VanDerWaalsContact CA-O 3.31Å; L150-K155 WeakPolarHBondContact CA-O 3.44Å; L150-F156 HydrophobicContact CD2-CB 4.43Å; L150-F156 HydrophobicContact CD2-CD1 3.45Å; L150-F156 VanDerWaalsContact CD2-CD1 3.45Å; L150-F156 HydrophobicContact CD2-CE1 3.73Å; L150-F156 HydrophobicContact CD2-CG 3.88Å; L150-F156 HydrophobicContact CD2-CZ 4.39Å; L150-V179 HydrophobicContact CD1-CB 3.99Å; L150-V179 HydrophobicContact CD1-CG1 3.96Å; L150-V179 HydrophobicContact CD1-CG2 4.11Å; L150-V179 HydrophobicContact CD2-CB 4.15Å; L150-M191 HydrophobicContact CD1-CE 3.46Å; L150-M191 VanDerWaalsContact CD1-CE 3.46Å; L150-L195 HydrophobicContact CB-CD2 4.39Å; L150-L195 HydrophobicContact CD1-CD1 4.23Å; L150-L195 HydrophobicContact CD1-CD2 4.09Å; L150-G295 CarbonylContact O-C 3.49Å; L150-G295 VanDerWaalsContact O-CA 3.28Å; L150-G295 WeakPolarHBondContact O-CA 3.07Å; L150-L296 HydrophobicContact CB-CB 4.39Å; L150-L296 PolarHBondContact N-O 2.93Å; L150-L296 PolarHBondContact O-N 2.84Å
151N95.4Very high96.1Very high3 Ų342.6 Ų42.62%0.01621%0.214CC..EExtended strand (participates in β ladder)trans-88.6-179.5163.376.3-13.8000112.2K72 E153 G154 K155 L157 M294K72-N151 PolarHBondContact NZ-ND2 3.23Å; N151-E153 PolarHBondContact ND2-OE2 2.79Å; N151-E153 PolarHBondContact O-N 3.01Å; N151-E153 VanDerWaalsContact O-N 3.07Å; N151-E153 WeakPolarHBondContact OD1-CA 3.49Å; N151-E153 WeakPolarHBondContact OD1-CB 3.46Å; N151-E153 PolarHBondContact OD1-N 2.88Å; N151-G154 PolarHBondContact O-N 2.89Å; N151-G154 PolarHBondContact OD1-N 2.72Å; N151-K155 PolarHBondContact N-O 3.18Å; N151-K155 WeakPolarHBondContact OD1-CB 3.39Å; N151-K155 PolarHBondContact OD1-N 3.21Å; N151-L157 HydrophobicContact CB-CD1 3.89Å; N151-L157 HydrophobicContact CB-CD2 3.99Å; N151-L157 HydrophobicContact CB-CG 3.9Å; N151-M294 CarbonylContact C-O 3.57Å; N151-M294 VanDerWaalsContact CA-O 3.32Å; N151-M294 WeakPolarHBondContact CA-O 3.36Å
152Q92.3Very high96.4Very high82 Ų8236.1 Ų36.138%0.38319%0.186SC..THydrogen-bonded Turntrans-60.2-13.3175.571.6-78.8-6.500115.3M197 M294Q152-M197 VanDerWaalsContact O-CE 3.23Å; Q152-M197 WeakPolarHBondContact O-CE 3.45Å; Q152-M294 PolarHBondContact N-O 3.09Å; Q152-M294 PolarHBondContact OE1-O 2.74Å
153E94.3Very high96.5Very high81 Ų8131.2 Ų31.238%0.37915%0.151SC..THydrogen-bonded Turntrans-95.16.2174-59.8124.1-142.200112.3K72 N151 K155K72-E153 IonicContact NZ-OE1 3.92Å; K72-E153 IonicContact NZ-OE2 2.66Å; K72-E153 PolarHBondContact NZ-OE2 3.11Å; N151-E153 PolarHBondContact ND2-OE2 2.79Å; N151-E153 PolarHBondContact O-N 3.01Å; N151-E153 VanDerWaalsContact O-N 3.07Å; N151-E153 WeakPolarHBondContact OD1-CA 3.49Å; N151-E153 WeakPolarHBondContact OD1-CB 3.46Å; N151-E153 PolarHBondContact OD1-N 2.88Å; E153-K155 HydrophobicContact CB-CG 4.38Å; E153-K155 PolarHBondContact O-N 3.23Å
154G96.1Very high96.6Very high0 Ų031.4 Ų31.40%016%0.157CC..SBendtrans67.919.2-176.100000113.6N151 V179 M197N151-G154 PolarHBondContact O-N 2.89Å; N151-G154 PolarHBondContact OD1-N 2.72Å; G154-V179 WeakPolarHBondContact O-CB 3.28Å; G154-V179 VanDerWaalsContact O-CG1 3.32Å; G154-V179 WeakPolarHBondContact O-CG1 3.42Å; G154-V179 PolarHBondContact O-N 2.96Å; G154-M197 VanDerWaalsContact N-CE 3.34Å
155K98.1Very high96.7Very high80 Ų8031.3 Ų31.335%0.34816%0.156SC..BIsolated β-bridgetrans-90136.9177.2-69.7179.2159.8-63.40111.2L150 N151 E153 L157 G176 S177L150-K155 VanDerWaalsContact CA-O 3.31Å; L150-K155 WeakPolarHBondContact CA-O 3.44Å; N151-K155 PolarHBondContact N-O 3.18Å; N151-K155 WeakPolarHBondContact OD1-CB 3.39Å; N151-K155 PolarHBondContact OD1-N 3.21Å; E153-K155 HydrophobicContact CB-CG 4.38Å; E153-K155 PolarHBondContact O-N 3.23Å; K155-L157 PolarHBondContact O-N 3.39Å; K155-L157 VanDerWaalsContact O-N 3.09Å; K155-G176 PolarHBondContact NZ-O 3.22Å; K155-S177 VanDerWaalsContact CA-O 3.32Å; K155-S177 WeakPolarHBondContact CA-O 3.47Å
156F98.6Very high96.6Very high0 Ų033.1 Ų33.10%016%0.163CC..EExtended strand (participates in β ladder)trans-64108.2173.7-65.6-77.5000110.6F148 L150 I159 L174 G176 S177 V179 Y182 M252F148-F156 HydrophobicContact CB-CD1 4.13Å; F148-F156 HydrophobicContact CB-CE1 4.26Å; F148-F156 HydrophobicContact CD1-CE1 4.38Å; F148-F156 HydrophobicContact CD2-CD1 4.03Å; F148-F156 AromaticContact CD2-CE1 3.75Å; F148-F156 HydrophobicContact CD2-CE1 3.75Å; F148-F156 HydrophobicContact CE2-CE1 4.05Å; F148-F156 HydrophobicContact CG-CD1 4.22Å; F148-F156 AromaticContact CG-CE1 3.92Å; F148-F156 HydrophobicContact CG-CE1 3.92Å; F148-F156 HydrophobicContact CZ-CE1 4.46Å; L150-F156 HydrophobicContact CD2-CB 4.43Å; L150-F156 HydrophobicContact CD2-CD1 3.45Å; L150-F156 VanDerWaalsContact CD2-CD1 3.45Å; L150-F156 HydrophobicContact CD2-CE1 3.73Å; L150-F156 HydrophobicContact CD2-CG 3.88Å; L150-F156 HydrophobicContact CD2-CZ 4.39Å; F156-I159 HydrophobicContact CD1-CB 4.34Å; F156-I159 HydrophobicContact CD1-CD1 4.07Å; F156-I159 HydrophobicContact CE1-CD1 3.76Å; F156-I159 HydrophobicContact CZ-CD1 4.43Å; F156-L174 HydrophobicContact CD2-CB 4.35Å; F156-L174 HydrophobicContact CD2-CD2 4.35Å; F156-L174 VanDerWaalsContact CD2-O 3.3Å; F156-L174 WeakPolarHBondContact CD2-O 3.41Å; F156-L174 HydrophobicContact CE2-CD2 3.74Å; F156-L174 HydrophobicContact CZ-CD2 4.1Å; F156-G176 WeakPolarHBondContact O-CA 3.28Å; F156-G176 PolarHBondContact O-N 2.92Å; F156-S177 PolarHBondContact N-O 3.3Å; F156-V179 HydrophobicContact CE1-CG2 4.49Å; F156-V179 HydrophobicContact CE2-CB 4.21Å; F156-V179 HydrophobicContact CE2-CG2 4.38Å; F156-V179 HydrophobicContact CZ-CB 4.16Å; F156-V179 HydrophobicContact CZ-CG2 3.88Å; F156-Y182 HydrophobicContact CE2-CD2 4.11Å; F156-M252 HydrophobicContact CZ-CE 4.18Å
157L98.1Very high96.4Very high9 Ų933.1 Ų33.15%0.04716%0.163CC..EExtended strand (participates in β ladder)trans-77.2-36.6167.7-62.1-171.3000110.8K72 M73 F76 A149 N151 K155K72-L157 HydrophobicContact CB-CD2 3.57Å; K72-L157 HydrophobicContact CD-CD2 4.1Å; K72-L157 HydrophobicContact CG-CD2 4.5Å; M73-L157 HydrophobicContact CB-CB 4Å; M73-L157 HydrophobicContact CG-CB 4.33Å; M73-L157 HydrophobicContact SD-CB 3.58Å; M73-L157 VanDerWaalsContact SD-CB 3.58Å; M73-L157 HydrophobicContact SD-CD1 4.46Å; F76-L157 HydrophobicContact CB-CD1 3.57Å; F76-L157 HydrophobicContact CD1-CD1 4.29Å; F76-L157 HydrophobicContact CD2-CD1 3.76Å; F76-L157 HydrophobicContact CG-CD1 3.64Å; A149-L157 PolarHBondContact O-N 3.13Å; N151-L157 HydrophobicContact CB-CD1 3.89Å; N151-L157 HydrophobicContact CB-CD2 3.99Å; N151-L157 HydrophobicContact CB-CG 3.9Å; K155-L157 PolarHBondContact O-N 3.39Å; K155-L157 VanDerWaalsContact O-N 3.09Å
158Y98.3Very high96.2Very high73 Ų7333 Ų3329%0.28617%0.168SC..EExtended strand (participates in β ladder)trans-149.1147.9175.1170.1-94.7000109.8M73 F148 A149M73-Y158 HydrophobicContact CE-CD1 4.46Å; M73-Y158 HydrophobicContact CE-CG 3.95Å; F148-Y158 VanDerWaalsContact CA-O 3.3Å; F148-Y158 WeakPolarHBondContact CA-O 3.39Å; F148-Y158 VanDerWaalsContact CB-O 3.3Å; F148-Y158 WeakPolarHBondContact CB-O 3.42Å; A149-Y158 PolarHBondContact N-O 3.07Å; A149-Y158 PolarHBondContact O-N 2.8Å
159I98.4Very high96Very high0 Ų033.3 Ų33.30%017%0.169CC..EExtended strand (participates in β ladder)trans-145.3145163.5-174.4149.3000108.5F146 V147 F148 F156 V163 Q171 L174F146-I159 HydrophobicContact CD2-CD1 3.77Å; F146-I159 HydrophobicContact CD2-CG1 4.12Å; F146-I159 HydrophobicContact CE2-CD1 3.97Å; V147-I159 CarbonylContact O-C 3.59Å; V147-I159 VanDerWaalsContact O-CA 3.32Å; V147-I159 WeakPolarHBondContact O-CA 3.26Å; F148-I159 HydrophobicContact CB-CB 3.88Å; F148-I159 HydrophobicContact CB-CD1 3.88Å; F148-I159 HydrophobicContact CB-CG1 3.84Å; F148-I159 HydrophobicContact CD1-CD1 4.11Å; F148-I159 HydrophobicContact CG-CD1 4.26Å; F156-I159 HydrophobicContact CD1-CB 4.34Å; F156-I159 HydrophobicContact CD1-CD1 4.07Å; F156-I159 HydrophobicContact CE1-CD1 3.76Å; F156-I159 HydrophobicContact CZ-CD1 4.43Å; I159-V163 HydrophobicContact CD1-CB 4.16Å; I159-V163 HydrophobicContact CD1-CG1 4.39Å; I159-V163 HydrophobicContact CD1-CG2 3.96Å; I159-V163 HydrophobicContact CG1-CB 4.09Å; I159-V163 HydrophobicContact CG1-CG1 4.15Å; I159-V163 HydrophobicContact CG1-CG2 4.45Å; I159-Q171 HydrophobicContact CG2-CB 4.43Å; I159-Q171 HydrophobicContact CG2-CG 4.02Å; I159-Q171 WeakPolarHBondContact O-CG 3.32Å; I159-Q171 PolarHBondContact O-NE2 2.84Å; I159-L174 HydrophobicContact CD1-CD1 4.13Å; I159-L174 HydrophobicContact CG2-CB 3.91Å
160S98.1Very high95.9Very high0 Ų035.8 Ų35.80%019%0.187CC..  trans-73.8148.5179.661.50000112.1F146 V147 T162 V163F146-S160 VanDerWaalsContact CA-OG 3.32Å; F146-S160 WeakPolarHBondContact CA-OG 3.4Å; F146-S160 WeakPolarHBondContact CB-OG 3.18Å; V147-S160 PolarHBondContact N-OG 3.02Å; V147-S160 PolarHBondContact O-N 2.64Å; S160-T162 PolarHBondContact O-N 3.05Å; S160-T162 VanDerWaalsContact O-N 3.1Å; S160-T162 PolarHBondContact OG-OG1 3.09Å; S160-V163 VanDerWaalsContact O-CG1 3.31Å; S160-V163 WeakPolarHBondContact O-CG1 3.46Å; S160-V163 PolarHBondContact O-N 3.16Å; S160-V163 VanDerWaalsContact O-N 3.13Å
161E96.6Very high95.9Very high107 Ų10737.2 Ų37.250%0.519%0.193SC..THydrogen-bonded Turntrans-57.1-26.5178.1-61.5177.2158.600112.6V163 S164E161-V163 PolarHBondContact O-N 2.89Å; E161-V163 VanDerWaalsContact O-N 3.12Å; E161-S164 WeakPolarHBondContact O-CB 3.23Å; E161-S164 PolarHBondContact O-N 2.82Å; E161-S164 VanDerWaalsContact O-N 3.17Å; E161-S164 PolarHBondContact O-OG 2.76Å
162T96.9Very high96Very high18 Ų1838.1 Ų38.111%0.1120%0.199CC..THydrogen-bonded Turntrans-60-18.3177.559.30000114.2L140 G145 F146 S160 S164 I165 Y166L140-T162 HydrophobicContact CB-CG2 4.24Å; G145-T162 PolarHBondContact O-OG1 3.05Å; F146-T162 WeakPolarHBondContact CA-OG1 3.39Å; F146-T162 WeakPolarHBondContact CB-OG1 3.44Å; S160-T162 PolarHBondContact O-N 3.05Å; S160-T162 VanDerWaalsContact O-N 3.1Å; S160-T162 PolarHBondContact OG-OG1 3.09Å; T162-S164 PolarHBondContact O-N 2.76Å; T162-I165 HydrophobicContact CG2-CD1 4.22Å; T162-I165 VanDerWaalsContact O-CB 3.31Å; T162-I165 WeakPolarHBondContact O-CB 3.21Å; T162-I165 PolarHBondContact O-N 3.28Å; T162-Y166 VanDerWaalsContact O-CD2 3.28Å; T162-Y166 WeakPolarHBondContact O-CD2 3.41Å
163V96.9Very high96.2Very high0 Ų038.1 Ų38.10%020%0.199CC..Hα-helixtrans-54.7-28.8173.170.70000112.6F146 I159 S160 E161 I165 Y166 L167 L174F146-V163 HydrophobicContact CB-CB 4.01Å; F146-V163 HydrophobicContact CD1-CB 4.47Å; F146-V163 HydrophobicContact CD1-CG2 4.27Å; F146-V163 HydrophobicContact CD2-CB 3.97Å; F146-V163 HydrophobicContact CD2-CG2 3.76Å; F146-V163 HydrophobicContact CE1-CG2 4.38Å; F146-V163 HydrophobicContact CE2-CG2 3.87Å; F146-V163 HydrophobicContact CG-CB 3.91Å; F146-V163 HydrophobicContact CG-CG2 3.97Å; F146-V163 HydrophobicContact CZ-CG2 4.19Å; I159-V163 HydrophobicContact CD1-CB 4.16Å; I159-V163 HydrophobicContact CD1-CG1 4.39Å; I159-V163 HydrophobicContact CD1-CG2 3.96Å; I159-V163 HydrophobicContact CG1-CB 4.09Å; I159-V163 HydrophobicContact CG1-CG1 4.15Å; I159-V163 HydrophobicContact CG1-CG2 4.45Å; S160-V163 VanDerWaalsContact O-CG1 3.31Å; S160-V163 WeakPolarHBondContact O-CG1 3.46Å; S160-V163 PolarHBondContact O-N 3.16Å; S160-V163 VanDerWaalsContact O-N 3.13Å; E161-V163 PolarHBondContact O-N 2.89Å; E161-V163 VanDerWaalsContact O-N 3.12Å; V163-I165 VanDerWaalsContact C-N 3.3Å; V163-I165 PolarHBondContact O-N 2.91Å; V163-Y166 PolarHBondContact O-N 2.94Å; V163-L167 HydrophobicContact CG2-CB 4.37Å; V163-L167 HydrophobicContact CG2-CD1 3.97Å; V163-L167 HydrophobicContact CG2-CG 4.44Å; V163-L167 PolarHBondContact O-N 2.88Å; V163-L174 HydrophobicContact CB-CD1 4.44Å; V163-L174 HydrophobicContact CG1-CD1 3.74Å; V163-L174 HydrophobicContact CG2-CD1 3.87Å
164S95Very high96.4Very high60 Ų6034.3 Ų34.342%0.4218%0.181SC..Hα-helixtrans-63.9-31174.562.30000113.5E161 T162 G168 L169E161-S164 WeakPolarHBondContact O-CB 3.23Å; E161-S164 PolarHBondContact O-N 2.82Å; E161-S164 VanDerWaalsContact O-N 3.17Å; E161-S164 PolarHBondContact O-OG 2.76Å; T162-S164 PolarHBondContact O-N 2.76Å; S164-G168 WeakPolarHBondContact O-CA 3.34Å; S164-G168 PolarHBondContact O-N 2.99Å; S164-L169 VanDerWaalsContact CA-O 3.28Å; S164-L169 WeakPolarHBondContact CA-O 3.45Å; S164-L169 WeakPolarHBondContact CB-O 3.38Å; S164-L169 PolarHBondContact N-O 2.94Å
165I92.6Very high96.5Very high111 Ų11135 Ų3557%0.56919%0.185SC*.Hα-helixtrans-71.4-40.3176.8-52.6172.4000110.2T162 V163 L256T162-I165 HydrophobicContact CG2-CD1 4.22Å; T162-I165 VanDerWaalsContact O-CB 3.31Å; T162-I165 WeakPolarHBondContact O-CB 3.21Å; T162-I165 PolarHBondContact O-N 3.28Å; V163-I165 VanDerWaalsContact C-N 3.3Å; V163-I165 PolarHBondContact O-N 2.91Å; I165-L256 WeakPolarHBondContact O-CD1 3.41Å
166Y92.1Very high96.5Very high37 Ų3731.6 Ų31.615%0.14517%0.173CC..Hα-helixtrans-91.9-32.4-171-65.7-76.4000114.4D144 G145 F146 T162 V163 L256 K269 A302D144-Y166 WeakPolarHBondContact CA-OH 3.36Å; D144-Y166 VanDerWaalsContact OD1-CE1 3.28Å; D144-Y166 WeakPolarHBondContact OD1-CE1 3.42Å; D144-Y166 PolarHBondContact OD1-OH 2.9Å; G145-Y166 VanDerWaalsContact CA-CE2 3.46Å; G145-Y166 VanDerWaalsContact N-CZ 3.27Å; G145-Y166 PolarHBondContact N-OH 2.85Å; G145-Y166 VanDerWaalsContact N-OH 3.16Å; G145-Y166 WeakPolarHBondContact O-CE2 3.32Å; F146-Y166 HydrophobicContact CD1-CD2 4.21Å; F146-Y166 HydrophobicContact CD1-CG 4.36Å; T162-Y166 VanDerWaalsContact O-CD2 3.28Å; T162-Y166 WeakPolarHBondContact O-CD2 3.41Å; V163-Y166 PolarHBondContact O-N 2.94Å; Y166-L256 WeakPolarHBondContact O-CD1 3.47Å; Y166-K269 WeakPolarHBondContact O-CD 3.45Å; Y166-K269 WeakPolarHBondContact O-CE 3.24Å; Y166-K269 PolarHBondContact O-NZ 3.11Å; Y166-A302 HydrophobicContact CD1-CB 3.93Å; Y166-A302 HydrophobicContact CG-CB 4.27Å
167L93.4Very high96.5Very high0 Ų032.4 Ų32.40%018%0.179CC..Hα-helixtrans-121.5-15.4-178.8-67.2179.5000114F146 V163 L169 M252 K253 S254 T255 K269 I271F146-L167 HydrophobicContact CE1-CD1 4.28Å; F146-L167 HydrophobicContact CE1-CG 4.43Å; F146-L167 HydrophobicContact CZ-CD1 3.88Å; V163-L167 HydrophobicContact CG2-CB 4.37Å; V163-L167 HydrophobicContact CG2-CD1 3.97Å; V163-L167 HydrophobicContact CG2-CG 4.44Å; V163-L167 PolarHBondContact O-N 2.88Å; L167-L169 HydrophobicContact CB-CB 4.48Å; L167-L169 HydrophobicContact CB-CD1 4.31Å; L167-L169 HydrophobicContact CB-CG 4.17Å; L167-L169 HydrophobicContact CD1-CD1 4.33Å; L167-L169 PolarHBondContact O-N 3.32Å; L167-M252 HydrophobicContact CD1-CB 3.89Å; L167-M252 HydrophobicContact CD1-CE 4.27Å; L167-M252 HydrophobicContact CD1-SD 4.29Å; L167-M252 HydrophobicContact CD2-CB 4.33Å; L167-K253 WeakPolarHBondContact CD2-O 3.29Å; L167-S254 CarbonylContact O-C 3.51Å; L167-S254 VanDerWaalsContact O-CA 3.25Å; L167-S254 WeakPolarHBondContact O-CA 3.36Å; L167-T255 PolarHBondContact O-N 3.36Å; L167-T255 PolarHBondContact O-OG1 3.01Å; L167-K269 HydrophobicContact CD2-CB 4.13Å; L167-K269 HydrophobicContact CD2-CD 4.34Å; L167-I271 HydrophobicContact CD2-CD1 4.01Å
168G93.9Very high96.5Very high29 Ų2933 Ų3330%0.29918%0.184SC..  trans72.69.5-174.400000114.6S164 T255S164-G168 WeakPolarHBondContact O-CA 3.34Å; S164-G168 PolarHBondContact O-N 2.99Å; G168-T255 VanDerWaalsContact CA-OG1 3.27Å; G168-T255 WeakPolarHBondContact CA-OG1 3.42Å; G168-T255 PolarHBondContact O-OG1 2.83Å
169L95.1Very high96.5Very high7 Ų729.5 Ų29.54%0.03717%0.17CC..  trans-90.5151.7175.8-62.8178.2000110.9S164 L167 L174 Y182 K253 T255S164-L169 VanDerWaalsContact CA-O 3.28Å; S164-L169 WeakPolarHBondContact CA-O 3.45Å; S164-L169 WeakPolarHBondContact CB-O 3.38Å; S164-L169 PolarHBondContact N-O 2.94Å; L167-L169 HydrophobicContact CB-CB 4.48Å; L167-L169 HydrophobicContact CB-CD1 4.31Å; L167-L169 HydrophobicContact CB-CG 4.17Å; L167-L169 HydrophobicContact CD1-CD1 4.33Å; L167-L169 PolarHBondContact O-N 3.32Å; L169-L174 HydrophobicContact CB-CD1 3.75Å; L169-L174 HydrophobicContact CB-CG 4.37Å; L169-L174 HydrophobicContact CD1-CD1 4.37Å; L169-L174 HydrophobicContact CD1-CD2 4.23Å; L169-Y182 HydrophobicContact CD1-CD1 3.69Å; L169-Y182 HydrophobicContact CD1-CE1 4.26Å; L169-K253 HydrophobicContact CD1-CB 4.46Å; L169-K253 WeakPolarHBondContact CD1-O 3.24Å; L169-T255 HydrophobicContact CD2-CG2 3.88Å
170S96.5Very high96.5Very high54 Ų5431.7 Ų31.738%0.37818%0.179SC..  trans-90.3139.1-179.5178.90000112.5V172 E173 L174S170-V172 PolarHBondContact O-N 2.88Å; S170-V172 PolarHBondContact OG-N 3.36Å; S170-E173 WeakPolarHBondContact O-CB 3.41Å; S170-E173 PolarHBondContact O-N 3.04Å; S170-L174 PolarHBondContact O-N 2.9Å
171Q97.7Very high96.5Very high30 Ų3035.8 Ų35.814%0.1420%0.202CC..Hα-helixtrans-53.1-39.9169.2177.9-167.163.900111.8I159 E173 L174 T175I159-Q171 HydrophobicContact CG2-CB 4.43Å; I159-Q171 HydrophobicContact CG2-CG 4.02Å; I159-Q171 WeakPolarHBondContact O-CG 3.32Å; I159-Q171 PolarHBondContact O-NE2 2.84Å; Q171-E173 VanDerWaalsContact C-N 3.27Å; Q171-E173 PolarHBondContact O-N 3.07Å; Q171-L174 PolarHBondContact O-N 2.87Å; Q171-T175 WeakPolarHBondContact O-CB 3.4Å; Q171-T175 PolarHBondContact O-N 2.86Å; Q171-T175 PolarHBondContact O-OG1 2.88Å
172V97.5Very high96.5Very high22 Ų2231.8 Ų31.813%0.13318%0.182CC..Hα-helixtrans-67.1-29.1178.6167.20000111.9L50 I54 L58 R65 L66 S170L50-V172 HydrophobicContact CD1-CG2 4.11Å; I54-V172 HydrophobicContact CG2-CG2 3.94Å; L58-V172 HydrophobicContact CD2-CG1 3.53Å; L58-V172 HydrophobicContact CD2-CG2 4.48Å; R65-V172 PolarHBondContact NH1-O 2.92Å; R65-V172 VanDerWaalsContact NH1-O 3.16Å; R65-V172 PolarHBondContact NH2-O 2.89Å; L66-V172 HydrophobicContact CD1-CG1 4.32Å; S170-V172 PolarHBondContact O-N 2.88Å; S170-V172 PolarHBondContact OG-N 3.36Å
173E96.6Very high96.6Very high83 Ų8331 Ų3139%0.38818%0.177SC..Hα-helixtrans-78.4-42.3176.4-168.5-161.1150.400111.1R65 S170 Q171 S177 Y182R65-E173 PolarHBondContact NH1-O 3Å; S170-E173 WeakPolarHBondContact O-CB 3.41Å; S170-E173 PolarHBondContact O-N 3.04Å; Q171-E173 VanDerWaalsContact C-N 3.27Å; Q171-E173 PolarHBondContact O-N 3.07Å; E173-S177 PolarHBondContact O-OG 3.05Å; E173-Y182 PolarHBondContact O-OH 2.85Å; E173-Y182 WeakPolarHBondContact OE1-CE1 3.28Å
174L98.1Very high96.6Very high1 Ų133.5 Ų33.51%0.00519%0.189CC..Hα-helixtrans-75.6-40.3-176.5-74.1157.3000113.7F156 I159 V163 L169 S170 Q171 G176 S177 Y182F156-L174 HydrophobicContact CD2-CB 4.35Å; F156-L174 HydrophobicContact CD2-CD2 4.35Å; F156-L174 VanDerWaalsContact CD2-O 3.3Å; F156-L174 WeakPolarHBondContact CD2-O 3.41Å; F156-L174 HydrophobicContact CE2-CD2 3.74Å; F156-L174 HydrophobicContact CZ-CD2 4.1Å; I159-L174 HydrophobicContact CD1-CD1 4.13Å; I159-L174 HydrophobicContact CG2-CB 3.91Å; V163-L174 HydrophobicContact CB-CD1 4.44Å; V163-L174 HydrophobicContact CG1-CD1 3.74Å; V163-L174 HydrophobicContact CG2-CD1 3.87Å; L169-L174 HydrophobicContact CB-CD1 3.75Å; L169-L174 HydrophobicContact CB-CG 4.37Å; L169-L174 HydrophobicContact CD1-CD1 4.37Å; L169-L174 HydrophobicContact CD1-CD2 4.23Å; S170-L174 PolarHBondContact O-N 2.9Å; Q171-L174 PolarHBondContact O-N 2.87Å; L174-G176 PolarHBondContact O-N 2.96Å; L174-S177 VanDerWaalsContact O-CB 3.27Å; L174-S177 WeakPolarHBondContact O-CB 3.22Å; L174-S177 PolarHBondContact O-N 2.91Å; L174-S177 VanDerWaalsContact O-N 3.08Å; L174-S177 PolarHBondContact O-OG 3.28Å; L174-Y182 HydrophobicContact CD2-CD1 3.67Å; L174-Y182 HydrophobicContact CD2-CD2 3.65Å; L174-Y182 HydrophobicContact CD2-CE1 3.77Å; L174-Y182 HydrophobicContact CD2-CE2 3.77Å; L174-Y182 HydrophobicContact CD2-CG 3.61Å; L174-Y182 HydrophobicContact CG-CE1 4.45Å
175T98.6Very high96.6Very high13 Ų1334.7 Ų34.78%0.0820%0.195CC..THydrogen-bonded Turntrans-62.3124.1-172-58.40000112.1R65 L66 Q171 S177R65-T175 WeakPolarHBondContact CG-O 3.32Å; R65-T175 PolarHBondContact NH1-O 2.89Å; L66-T175 HydrophobicContact CD2-CG2 3.8Å; Q171-T175 WeakPolarHBondContact O-CB 3.4Å; Q171-T175 PolarHBondContact O-N 2.86Å; Q171-T175 PolarHBondContact O-OG1 2.88Å; T175-S177 VanDerWaalsContact C-N 3.27Å; T175-S177 PolarHBondContact O-N 3.1Å
176G97.9Very high96.7Very high9 Ų932.1 Ų32.19%0.09320%0.196CC..THydrogen-bonded Turntrans83.6-13.3-177.100000116.2S69 K155 F156 L174S69-G176 WeakPolarHBondContact OG-CA 3.4Å; S69-G176 PolarHBondContact OG-N 2.86Å; K155-G176 PolarHBondContact NZ-O 3.22Å; F156-G176 WeakPolarHBondContact O-CA 3.28Å; F156-G176 PolarHBondContact O-N 2.92Å; L174-G176 PolarHBondContact O-N 2.96Å
177S98.3Very high96.9Very high17 Ų1730.5 Ų30.512%0.11919%0.19CC..SBendtrans-75.4165.4172.1-50.90000110.3R65 K155 F156 E173 L174 T175R65-S177 PolarHBondContact NH1-OG 2.84Å; R65-S177 VanDerWaalsContact NH1-OG 3.17Å; K155-S177 VanDerWaalsContact CA-O 3.32Å; K155-S177 WeakPolarHBondContact CA-O 3.47Å; F156-S177 PolarHBondContact N-O 3.3Å; E173-S177 PolarHBondContact O-OG 3.05Å; L174-S177 VanDerWaalsContact O-CB 3.27Å; L174-S177 WeakPolarHBondContact O-CB 3.22Å; L174-S177 PolarHBondContact O-N 2.91Å; L174-S177 VanDerWaalsContact O-N 3.08Å; L174-S177 PolarHBondContact O-OG 3.28Å; T175-S177 VanDerWaalsContact C-N 3.27Å; T175-S177 PolarHBondContact O-N 3.1Å
178S98.2Very high97.1Very high22 Ų2233.1 Ų33.115%0.15420%0.202CC..BIsolated β-bridgetrans-82.6145.5176-167.80000110.6F180 D181 Y182S178-F180 PolarHBondContact O-N 2.83Å; S178-F180 WeakPolarHBondContact OG-CD2 3.41Å; S178-D181 WeakPolarHBondContact CA-OD2 3.32Å; S178-D181 VanDerWaalsContact CB-OD2 3.22Å; S178-D181 WeakPolarHBondContact CB-OD2 3.34Å; S178-D181 PolarHBondContact N-OD2 2.83Å; S178-D181 WeakPolarHBondContact O-CB 3.12Å; S178-D181 PolarHBondContact O-N 2.99Å; S178-Y182 WeakPolarHBondContact O-CD2 3.31Å
179V98.4Very high97.2Very high0 Ų036.1 Ų36.10%021%0.214CC..G310 helixtrans-59.8-36.7172.370.50000111.4L150 G154 F156 D181 Y182 V183 M191 L195L150-V179 HydrophobicContact CD1-CB 3.99Å; L150-V179 HydrophobicContact CD1-CG1 3.96Å; L150-V179 HydrophobicContact CD1-CG2 4.11Å; L150-V179 HydrophobicContact CD2-CB 4.15Å; G154-V179 WeakPolarHBondContact O-CB 3.28Å; G154-V179 VanDerWaalsContact O-CG1 3.32Å; G154-V179 WeakPolarHBondContact O-CG1 3.42Å; G154-V179 PolarHBondContact O-N 2.96Å; F156-V179 HydrophobicContact CE1-CG2 4.49Å; F156-V179 HydrophobicContact CE2-CB 4.21Å; F156-V179 HydrophobicContact CE2-CG2 4.38Å; F156-V179 HydrophobicContact CZ-CB 4.16Å; F156-V179 HydrophobicContact CZ-CG2 3.88Å; V179-D181 PolarHBondContact O-N 2.92Å; V179-Y182 PolarHBondContact O-N 3.15Å; V179-V183 HydrophobicContact CG2-CG2 3.78Å; V179-V183 WeakPolarHBondContact O-CG2 3.36Å; V179-V183 PolarHBondContact O-N 3.33Å; V179-M191 HydrophobicContact CG1-CE 4.11Å; V179-M191 HydrophobicContact CG1-CG 4.22Å; V179-M191 HydrophobicContact CG2-CE 4.06Å; V179-L195 HydrophobicContact CG1-CD1 4.42Å
180F98.1Very high97.2Very high45 Ų4538 Ų3820%0.19722%0.223CC..G310 helixtrans-63.9-22.1178.9-56.7-71.8000113.3S178 Y182 H188 M191 A192 L195 M197S178-F180 PolarHBondContact O-N 2.83Å; S178-F180 WeakPolarHBondContact OG-CD2 3.41Å; F180-Y182 PolarHBondContact O-N 3.01Å; F180-H188 HydrophobicContact CD1-CB 4.12Å; F180-H188 AromaticContact CD1-CD2 3.98Å; F180-H188 AromaticContact CD1-CG 3.87Å; F180-H188 HydrophobicContact CE1-CB 4.49Å; F180-H188 WeakPolarHBondContact CE1-O 3.46Å; F180-H188 PolarHBondContact O-CE1 2.87Å; F180-H188 VanDerWaalsContact O-CE1 3.23Å; F180-H188 PolarHBondContact O-NE2 2.96Å; F180-M191 HydrophobicContact CE1-CB 3.93Å; F180-M191 HydrophobicContact CE1-CG 3.89Å; F180-M191 HydrophobicContact CZ-CG 4.37Å; F180-A192 HydrophobicContact CE1-CB 4.26Å; F180-A192 HydrophobicContact CZ-CB 4.08Å; F180-L195 HydrophobicContact CZ-CD1 4.16Å; F180-M197 HydrophobicContact CE2-CE 4.1Å; F180-M197 HydrophobicContact CE2-SD 3.9Å; F180-M197 HydrophobicContact CZ-CE 4.44Å; F180-M197 HydrophobicContact CZ-SD 3.79Å
181D97.8Very high97.2Very high87 Ų8735.5 Ų35.547%0.46521%0.205SC..G310 helixtrans-66.3-21.3173-57.9-43000111.9S178 V179 K253S178-D181 WeakPolarHBondContact CA-OD2 3.32Å; S178-D181 VanDerWaalsContact CB-OD2 3.22Å; S178-D181 WeakPolarHBondContact CB-OD2 3.34Å; S178-D181 PolarHBondContact N-OD2 2.83Å; S178-D181 WeakPolarHBondContact O-CB 3.12Å; S178-D181 PolarHBondContact O-N 2.99Å; V179-D181 PolarHBondContact O-N 2.92Å; D181-K253 WeakPolarHBondContact O-CE 3.28Å; D181-K253 PolarHBondContact O-NZ 3.39Å
182Y97.8Very high97Very high23 Ų2334.1 Ų34.19%0.0920%0.199CC..THydrogen-bonded Turntrans-118.8-13.4-174.6-58.6-88.5000114.3F156 L169 E173 L174 S178 V179 F180 M252 K253F156-Y182 HydrophobicContact CE2-CD2 4.11Å; L169-Y182 HydrophobicContact CD1-CD1 3.69Å; L169-Y182 HydrophobicContact CD1-CE1 4.26Å; E173-Y182 PolarHBondContact O-OH 2.85Å; E173-Y182 WeakPolarHBondContact OE1-CE1 3.28Å; L174-Y182 HydrophobicContact CD2-CD1 3.67Å; L174-Y182 HydrophobicContact CD2-CD2 3.65Å; L174-Y182 HydrophobicContact CD2-CE1 3.77Å; L174-Y182 HydrophobicContact CD2-CE2 3.77Å; L174-Y182 HydrophobicContact CD2-CG 3.61Å; L174-Y182 HydrophobicContact CG-CE1 4.45Å; S178-Y182 WeakPolarHBondContact O-CD2 3.31Å; V179-Y182 PolarHBondContact O-N 3.15Å; F180-Y182 PolarHBondContact O-N 3.01Å; Y182-M252 CarbonylContact O-C 3.58Å; Y182-M252 WeakPolarHBondContact O-CA 3.36Å; Y182-K253 WeakPolarHBondContact O-CG 3.45Å; Y182-K253 PolarHBondContact O-N 3.03Å
183V98Very high96.8Very high2 Ų239.6 Ų39.61%0.01222%0.223CC..BIsolated β-bridgetrans-86.9145.5174.3178.80000110.2V179 D187 H188 I250 M252V179-V183 HydrophobicContact CG2-CG2 3.78Å; V179-V183 WeakPolarHBondContact O-CG2 3.36Å; V179-V183 PolarHBondContact O-N 3.33Å; V183-D187 HydrophobicContact CG1-CB 3.88Å; V183-H188 PolarHBondContact O-NE2 3.21Å; V183-I250 HydrophobicContact CG1-CB 4.24Å; V183-I250 HydrophobicContact CG1-CD1 4.14Å; V183-I250 HydrophobicContact CG2-CD1 3.55Å; V183-M252 HydrophobicContact CG2-CG 4.31Å
184H96.4Very high96.7Very high52 Ų5238 Ų3824%0.24122%0.216CC..  trans-60.2134.5174.7-179-101.1000111.1G186 D187 H188 R251 Y268H184-G186 PolarHBondContact ND1-N 2.93Å; H184-G186 PolarHBondContact O-N 3.04Å; H184-G186 VanDerWaalsContact O-N 3.13Å; H184-D187 IonicContact ND1-OD1 3.59Å; H184-D187 PolarHBondContact ND1-OD1 3.23Å; H184-D187 PolarHBondContact O-N 3.09Å; H184-H188 PolarHBondContact O-CD2 3.11Å; H184-R251 HydrophobicContact CB-CB 3.64Å; H184-R251 WeakPolarHBondContact CB-O 3.45Å; H184-R251 PolarHBondContact N-O 2.86Å; H184-Y268 HydrophobicContact CB-CD1 3.84Å; H184-Y268 HydrophobicContact CB-CE1 3.72Å; H184-Y268 HydrophobicContact CB-CG 4.49Å; H184-Y268 AromaticContact CD2-CE2 3.87Å; H184-Y268 AromaticContact CD2-CZ 3.95Å
185P95.8Very high96.4Very high84 Ų8438.1 Ų38.155%0.54522%0.216SC..G310 helixtrans-60.2-28.7-172.722.2-34.1000114.3D187 H188P185-D187 PolarHBondContact O-N 3.18Å; P185-H188 PolarHBondContact O-N 2.77Å
186G94.6Very high95.9Very high58 Ų5839.3 Ų39.360%0.59823%0.232SC*.G310 helixtrans-65.1-15.3173.900000114.6H184H184-G186 PolarHBondContact ND1-N 2.93Å; H184-G186 PolarHBondContact O-N 3.04Å; H184-G186 VanDerWaalsContact O-N 3.13Å
187D96.8Very high95.4Very high2 Ų241.3 Ų41.31%0.01124%0.239CC..G310 helixtrans-110.62.1-173.4-473.3000110.6V183 H184 P185 M191 I250 R251V183-D187 HydrophobicContact CG1-CB 3.88Å; H184-D187 IonicContact ND1-OD1 3.59Å; H184-D187 PolarHBondContact ND1-OD1 3.23Å; H184-D187 PolarHBondContact O-N 3.09Å; P185-D187 PolarHBondContact O-N 3.18Å; D187-M191 WeakPolarHBondContact O-CB 3.38Å; D187-M191 PolarHBondContact O-N 3.02Å; D187-I250 HydrophobicContact CB-CB 4.36Å; D187-I250 HydrophobicContact CB-CG2 4.3Å; D187-R251 IonicContact OD1-CZ 2.73Å; D187-R251 VanDerWaalsContact OD1-CZ 3.26Å; D187-R251 IonicContact OD1-NE 3.77Å; D187-R251 PolarHBondContact OD1-NE 2.94Å; D187-R251 VanDerWaalsContact OD1-NE 3.09Å; D187-R251 IonicContact OD1-NH2 2.83Å; D187-R251 PolarHBondContact OD1-NH2 2.99Å; D187-R251 VanDerWaalsContact OD2-CB 3.26Å; D187-R251 WeakPolarHBondContact OD2-CB 3.4Å; D187-R251 WeakPolarHBondContact OD2-CG 3.41Å; D187-R251 IonicContact OD2-CZ 2.59Å; D187-R251 PolarHBondContact OD2-N 2.83Å; D187-R251 IonicContact OD2-NE 3.36Å; D187-R251 PolarHBondContact OD2-NE 3Å; D187-R251 IonicContact OD2-NH2 3.98Å
188H96.9Very high93.8Very high56 Ų5650.5 Ų50.526%0.25928%0.277SS..Hα-helixtrans-66.9-36.8-176.8-76.7-167000113.1F180 V183 H184 P185 A192F180-H188 HydrophobicContact CD1-CB 4.12Å; F180-H188 AromaticContact CD1-CD2 3.98Å; F180-H188 AromaticContact CD1-CG 3.87Å; F180-H188 HydrophobicContact CE1-CB 4.49Å; F180-H188 WeakPolarHBondContact CE1-O 3.46Å; F180-H188 PolarHBondContact O-CE1 2.87Å; F180-H188 VanDerWaalsContact O-CE1 3.23Å; F180-H188 PolarHBondContact O-NE2 2.96Å; V183-H188 PolarHBondContact O-NE2 3.21Å; H184-H188 PolarHBondContact O-CD2 3.11Å; P185-H188 PolarHBondContact O-N 2.77Å; H188-A192 WeakPolarHBondContact O-CB 3.49Å; H188-A192 PolarHBondContact O-N 3.39Å
189V96Very high91.8Very high92 Ų9253.8 Ų53.856%0.55829%0.292SS*.Hα-helixtrans-65.4-49.4178.9175.20000110.3A192 E193 L199V189-A192 PolarHBondContact O-N 3.01Å; V189-E193 PolarHBondContact O-N 2.59Å; V189-L199 HydrophobicContact CB-CD1 4.49Å; V189-L199 HydrophobicContact CG1-CD1 3.89Å
190E95.4Very high89.1Confident47 Ų4759 Ų5922%0.2233%0.326CS..Hα-helixtrans-59.1-48176-176.8-176.215200111.4A192 E193 Q194 K373E190-A192 VanDerWaalsContact C-N 3.28Å; E190-A192 PolarHBondContact O-N 2.73Å; E190-E193 PolarHBondContact O-N 3.01Å; E190-Q194 HydrophobicContact CG-CG 4.4Å; E190-Q194 WeakPolarHBondContact O-CB 3.43Å; E190-Q194 WeakPolarHBondContact O-CG 3.38Å; E190-Q194 PolarHBondContact O-N 2.86Å; E190-K373 IonicContact OE1-NZ 3.65Å; E190-K373 PolarHBondContact OE1-NZ 3.36Å; E190-K373 WeakPolarHBondContact OE2-CE 3.28Å; E190-K373 IonicContact OE2-NZ 3.09Å; E190-K373 PolarHBondContact OE2-NZ 3.03Å
191M95.8Very high86.3Confident0 Ų063.7 Ų63.70%036%0.361CS..Hα-helixtrans-60.3-36.9177.8-174.670.2-155.500112.5L150 V179 F180 D187 L195 F248 I250 L296L150-M191 HydrophobicContact CD1-CE 3.46Å; L150-M191 VanDerWaalsContact CD1-CE 3.46Å; V179-M191 HydrophobicContact CG1-CE 4.11Å; V179-M191 HydrophobicContact CG1-CG 4.22Å; V179-M191 HydrophobicContact CG2-CE 4.06Å; F180-M191 HydrophobicContact CE1-CB 3.93Å; F180-M191 HydrophobicContact CE1-CG 3.89Å; F180-M191 HydrophobicContact CZ-CG 4.37Å; D187-M191 WeakPolarHBondContact O-CB 3.38Å; D187-M191 PolarHBondContact O-N 3.02Å; M191-L195 HydrophobicContact CE-CD1 3.8Å; M191-L195 HydrophobicContact CE-CG 4.1Å; M191-L195 HydrophobicContact CG-CD1 4.33Å; M191-L195 WeakPolarHBondContact O-CB 3.32Å; M191-L195 WeakPolarHBondContact O-CD1 3.42Å; M191-L195 WeakPolarHBondContact O-CG 3.22Å; M191-L195 PolarHBondContact O-N 3.16Å; M191-F248 HydrophobicContact CE-CZ 4.28Å; M191-F248 HydrophobicContact SD-CE2 3.61Å; M191-F248 HydrophobicContact SD-CZ 3.71Å; M191-I250 HydrophobicContact SD-CD1 3.72Å; M191-L296 HydrophobicContact CE-CD2 4.11Å
192A94.7Very high83.9Confident2 Ų262.9 Ų62.92%0.01737%0.373CS..Hα-helixtrans-70-41.4176.500000112.2F180 H188 V189 E190 L195 G196 M197 L199F180-A192 HydrophobicContact CE1-CB 4.26Å; F180-A192 HydrophobicContact CZ-CB 4.08Å; H188-A192 WeakPolarHBondContact O-CB 3.49Å; H188-A192 PolarHBondContact O-N 3.39Å; V189-A192 PolarHBondContact O-N 3.01Å; E190-A192 VanDerWaalsContact C-N 3.28Å; E190-A192 PolarHBondContact O-N 2.73Å; A192-L195 PolarHBondContact O-N 2.73Å; A192-G196 PolarHBondContact O-N 3.5Å; A192-M197 HydrophobicContact CB-CB 4.18Å; A192-M197 HydrophobicContact CB-SD 4.2Å; A192-M197 WeakPolarHBondContact O-CB 3.43Å; A192-M197 PolarHBondContact O-N 3.07Å; A192-L199 HydrophobicContact CB-CD1 4.39Å; A192-L199 HydrophobicContact CB-CD2 3.88Å; A192-L199 HydrophobicContact CB-CG 4.2Å
193E92.9Very high81.4Confident137 Ų13773.7 Ų73.764%0.6441%0.414SS*.Hα-helixtrans-61.9-47.3174.9-175.3179.7174.100111.7V189 E190 L195 G196V189-E193 PolarHBondContact O-N 2.59Å; E190-E193 PolarHBondContact O-N 3.01Å; E193-L195 PolarHBondContact O-N 3.18Å; E193-G196 WeakPolarHBondContact O-CA 3.37Å; E193-G196 PolarHBondContact O-N 3.19Å
194Q93.8Very high78.3Confident48 Ų4877.2 Ų77.222%0.22445%0.451CS..Hα-helixtrans-61.6-31.4177.2-63.7-75.1-1400112.1E190 G196 R246 F248E190-Q194 HydrophobicContact CG-CG 4.4Å; E190-Q194 WeakPolarHBondContact O-CB 3.43Å; E190-Q194 WeakPolarHBondContact O-CG 3.38Å; E190-Q194 PolarHBondContact O-N 2.86Å; Q194-G196 VanDerWaalsContact C-N 3.3Å; Q194-R246 WeakPolarHBondContact O-CD 3.47Å; Q194-R246 PolarHBondContact O-NE 2.96Å; Q194-F248 HydrophobicContact CB-CD1 4.15Å; Q194-F248 HydrophobicContact CB-CE1 3.78Å; Q194-F248 HydrophobicContact CB-CE2 4.17Å; Q194-F248 HydrophobicContact CB-CZ 3.79Å; Q194-F248 HydrophobicContact CG-CB 4.41Å; Q194-F248 HydrophobicContact CG-CD1 3.78Å; Q194-F248 HydrophobicContact CG-CD2 3.86Å; Q194-F248 HydrophobicContact CG-CE1 3.91Å; Q194-F248 HydrophobicContact CG-CE2 3.98Å; Q194-F248 HydrophobicContact CG-CG 3.77Å; Q194-F248 HydrophobicContact CG-CZ 4.02Å
195L92.2Very high75.4Confident4 Ų483 Ų832%0.02148%0.482CS..THydrogen-bonded Turntrans-76.1-9.4171.8-81.1164.5000114.3L150 V179 F180 M191 A192 E193 M197 L296L150-L195 HydrophobicContact CB-CD2 4.39Å; L150-L195 HydrophobicContact CD1-CD1 4.23Å; L150-L195 HydrophobicContact CD1-CD2 4.09Å; V179-L195 HydrophobicContact CG1-CD1 4.42Å; F180-L195 HydrophobicContact CZ-CD1 4.16Å; M191-L195 HydrophobicContact CE-CD1 3.8Å; M191-L195 HydrophobicContact CE-CG 4.1Å; M191-L195 HydrophobicContact CG-CD1 4.33Å; M191-L195 WeakPolarHBondContact O-CB 3.32Å; M191-L195 WeakPolarHBondContact O-CD1 3.42Å; M191-L195 WeakPolarHBondContact O-CG 3.22Å; M191-L195 PolarHBondContact O-N 3.16Å; A192-L195 PolarHBondContact O-N 2.73Å; E193-L195 PolarHBondContact O-N 3.18Å; L195-M197 VanDerWaalsContact C-N 3.32Å; L195-M197 HydrophobicContact CB-CE 4.34Å; L195-M197 HydrophobicContact CB-CG 3.96Å; L195-M197 HydrophobicContact CB-SD 4.26Å; L195-M197 HydrophobicContact CD1-CE 3.83Å; L195-M197 HydrophobicContact CD1-SD 4.15Å; L195-L296 HydrophobicContact CD2-CB 3.69Å; L195-L296 HydrophobicContact CD2-CD2 4.12Å; L195-L296 HydrophobicContact CG-CD2 4.5Å
196G88.2Confident72.7Confident39 Ų3987.2 Ų87.240%0.40250%0.5SS..THydrogen-bonded Turntrans72.522.4-17400000113.8A192 E193 Q194 K198A192-G196 PolarHBondContact O-N 3.5Å; E193-G196 WeakPolarHBondContact O-CA 3.37Å; E193-G196 PolarHBondContact O-N 3.19Å; Q194-G196 VanDerWaalsContact C-N 3.3Å; G196-K198 PolarHBondContact O-N 3.23Å
197M86.8Confident69.7Low50 Ų5090.1 Ų90.125%0.24651%0.511CS..  trans-75.6122.7177.8-66176.6166.300110.5Q152 G154 F180 A192 L195 L199Q152-M197 VanDerWaalsContact O-CE 3.23Å; Q152-M197 WeakPolarHBondContact O-CE 3.45Å; G154-M197 VanDerWaalsContact N-CE 3.34Å; F180-M197 HydrophobicContact CE2-CE 4.1Å; F180-M197 HydrophobicContact CE2-SD 3.9Å; F180-M197 HydrophobicContact CZ-CE 4.44Å; F180-M197 HydrophobicContact CZ-SD 3.79Å; A192-M197 HydrophobicContact CB-CB 4.18Å; A192-M197 HydrophobicContact CB-SD 4.2Å; A192-M197 WeakPolarHBondContact O-CB 3.43Å; A192-M197 PolarHBondContact O-N 3.07Å; L195-M197 VanDerWaalsContact C-N 3.32Å; L195-M197 HydrophobicContact CB-CE 4.34Å; L195-M197 HydrophobicContact CB-CG 3.96Å; L195-M197 HydrophobicContact CB-SD 4.26Å; L195-M197 HydrophobicContact CD1-CE 3.83Å; L195-M197 HydrophobicContact CD1-SD 4.15Å; M197-L199 PolarHBondContact O-N 3.01Å
198K65.9Low66.6Low211 Ų21199.6 Ų99.692%0.91756%0.555SS**  trans-68.895.3167.7-69.9-172.1177.3-174.90109.5G196G196-K198 PolarHBondContact O-N 3.23Å
199L55.2Low63.3Low91 Ų91100.2 Ų100.248%0.47658%0.576SS.*  trans-58.2137.2167-68.8172.2000109.3V189 A192 M197V189-L199 HydrophobicContact CB-CD1 4.49Å; V189-L199 HydrophobicContact CG1-CD1 3.89Å; A192-L199 HydrophobicContact CB-CD1 4.39Å; A192-L199 HydrophobicContact CB-CD2 3.88Å; A192-L199 HydrophobicContact CB-CG 4.2Å; M197-L199 PolarHBondContact O-N 3.01Å
200P42.3Very low60.2Low110 Ų110102.7 Ų102.771%0.71459%0.592SS**  trans-59.2132.6173.1-23.533.9000110.6G202P200-G202 PolarHBondContact O-N 3.29Å
201P38.5Very low57.1Low143 Ų143105.2 Ų105.293%0.92962%0.621SS**SBendtrans-70.193.9178.128.5-34000109.9
202G47.1Very low54.1Low69 Ų69114.1 Ų114.171%0.71166%0.663SS**  trans153.647.2176.400000118.5P200P200-G202 PolarHBondContact O-N 3.29Å
203R45.2Very low51Low250 Ų250122.3 Ų122.394%0.94371%0.706SS**  trans-159.257.9152.9-119.4170.5-170.8-98.7-3.1113.9
204G33.5Very low48.1Very low77 Ų77119.3 Ų119.379%0.79471%0.712SS**PPolyproline II helixtrans-68.4150.9166.900000112.3
205L36.8Very low45.2Very low172 Ų172122 Ų12290%0.90174%0.743SS**PPolyproline II helixtrans-46.8149.5-175.2-165.166.4000115.8S207L205-S207 PolarHBondContact O-N 2.82Å
206L37.1Very low42.5Very low174 Ų174127.6 Ų127.691%0.91178%0.782SS**PPolyproline II helixtrans-62.1125.9163.7-70.6163.6000110.1
207S31.7Very low39.9Very low119 Ų119132 Ų13283%0.83281%0.806SS**  trans-120.9130.3161.2-171.20000108.6L205 G209L205-S207 PolarHBondContact O-N 2.82Å; S207-G209 PolarHBondContact O-N 3.36Å
208Q32.8Very low37.6Very low200 Ų200134.7 Ų134.794%0.93584%0.837SS**  trans-91.885-173.1-173.5167.3-14.300110.2
209G28.2Very low36Very low69 Ų69130.4 Ų130.471%0.71183%0.834SS**  trans-101.8133.517000000111.2S207S207-G209 PolarHBondContact O-N 3.36Å
210T29.9Very low35.1Very low144 Ų144132 Ų13288%0.88385%0.852SS**  trans-81.4124.3179.346.20000112.4
211A30.3Very low34.5Very low101 Ų101132.1 Ų132.184%0.83586%0.856SS**  trans-154.7139.2156.800000108.5
212E32.4Very low34.4Very low187 Ų187131.1 Ų131.187%0.87485%0.852SS**  trans-111.3166.6-178.2-61.9-172.6132.400111.5
213D30.8Very low33.8Very low173 Ų173136.4 Ų136.493%0.92586%0.858SS**  trans62.4149.1175.2-70.2-22.9000119.3
214G30.9Very low33.3Very low74 Ų74130.2 Ų130.276%0.76385%0.853SS**  trans165-4.4177.600000120.1
215A32.9Very low33.1Very low106 Ų106134.9 Ų134.988%0.87685%0.854SS**  trans55.4126.8170.700000119.4
216S35.3Very low32.9Very low120 Ų120132.5 Ų132.584%0.83985%0.847SS**  trans-71.4145.3173.5-50.80000113.5
217S35.2Very low32.5Very low131 Ų131130.2 Ų130.292%0.91684%0.843SS**  trans-151.4136.7154.3-81.70000109.9
218A37.7Very low32.5Very low108 Ų108132.3 Ų132.389%0.89384%0.84SS**  trans-114.8137.9-172.900000111.7
219S32Very low32.4Very low121 Ų121128.3 Ų128.385%0.84683%0.831SS**  trans-144.6129.4162.255.50000110.1
220S35.7Very low32.6Very low123 Ų123131.6 Ų131.686%0.8684%0.837SS**  trans-92.4136.4173.249.60000110.4
221S31.4Very low32.9Very low114 Ų114132.9 Ų132.980%0.79783%0.833SS**  trans-142.4112.2164.656.50000110.2
222S36.2Very low33.1Very low121 Ų121133.3 Ų133.385%0.84683%0.829SS**  trans-75.9121.9173.1-440000109.6
223Q33.3Very low32.9Very low181 Ų181130.3 Ų130.385%0.84682%0.824SS**  trans-144.5141.3160.2-118.5161.954.300111
224S35.8Very low32.9Very low120 Ų120126.5 Ų126.584%0.83981%0.811SS**  trans-104.8100.2-175.453.40000109.2
225E29.4Very low33.3Very low174 Ų174127.6 Ų127.681%0.81381%0.805SS**  trans-114.1126.7171.2-65.6-164.5123.100110.2
226T31.8Very low33.5Very low122 Ų122127.3 Ų127.375%0.74880%0.797SS**  trans-77.6124.8172.241.10000109.3E228T226-E228 PolarHBondContact O-N 2.82Å; T226-E228 VanDerWaalsContact O-N 3.08Å
227P29.8Very low33.8Very low127 Ų127129.6 Ų129.683%0.82580%0.798SS**  trans-70.7106168.728.9-31.9000108.9
228E30.7Very low34.3Very low163 Ų163128.5 Ų128.576%0.76278%0.782SS**  trans-65.2145166-69.1-156.3140.600110.2T226 V230T226-E228 PolarHBondContact O-N 2.82Å; T226-E228 VanDerWaalsContact O-N 3.08Å; E228-V230 PolarHBondContact O-N 2.92Å; E228-V230 VanDerWaalsContact O-N 3.09Å
229P31.2Very low34.5Very low116 Ų116128.7 Ų128.775%0.75377%0.772SS**  trans-72.9104.8176.530-32.9000109.6E231P229-E231 VanDerWaalsContact C-N 3.34Å; P229-E231 PolarHBondContact O-N 2.8Å
230V32.1Very low35.5Very low137 Ų137127.8 Ų127.883%0.8376%0.761SS**  trans-68.993.8169.9-172.60000108.6E228E228-V230 PolarHBondContact O-N 2.92Å; E228-V230 VanDerWaalsContact O-N 3.09Å
231E36.8Very low36.2Very low172 Ų172128 Ų12880%0.80475%0.753SS**  trans-70.2156167.7-69.2-162.6131.700110.9P229P229-E231 VanDerWaalsContact C-N 3.34Å; P229-E231 PolarHBondContact O-N 2.8Å
232S34.5Very low37.2Very low109 Ų109128.5 Ų128.576%0.76275%0.746SS**  trans75.6141.2-164.8-42.70000112.9
233T27.8Very low38.7Very low124 Ų124124.8 Ų124.876%0.76172%0.719SS**  cis-137.7138.726.8-550000111.8
234S30.6Very low41.2Very low93 Ų93117.5 Ų117.565%0.6569%0.685SS**  trans41.9119.1162.6-59.40000119.5S236S234-S236 PolarHBondContact O-N 3.14Å; S234-S236 VanDerWaalsContact O-N 3.13Å
235P38.3Very low43.9Very low97 Ų97115.6 Ų115.663%0.6366%0.664SS**  trans-64.1114.8151.329.4-30.7000108L237P235-L237 PolarHBondContact O-N 2.9Å
236S36.9Very low47Very low101 Ų101109.5 Ų109.571%0.70663%0.633SS**  trans-53.1130173.6-56.40000109.7S234 L238S234-S236 PolarHBondContact O-N 3.14Å; S234-S236 VanDerWaalsContact O-N 3.13Å; S236-L238 VanDerWaalsContact C-N 3.3Å; S236-L238 PolarHBondContact O-N 2.83Å
237L43.3Very low50Low168 Ų168107.5 Ų107.588%0.8862%0.624SS**  trans-68.388.4179.3-70172.2000109.7P235 T239P235-L237 PolarHBondContact O-N 2.9Å; L237-T239 PolarHBondContact O-N 2.77Å
238L45.4Very low53.2Low108 Ų108101.7 Ų101.757%0.56559%0.586SS**  trans-61.7115.9173.4-67.4-179.1000108.9S236 T240S236-L238 VanDerWaalsContact C-N 3.3Å; S236-L238 PolarHBondContact O-N 2.83Å; L238-T240 PolarHBondContact O-N 2.74Å
239T40.8Very low56.3Low111 Ų11194.5 Ų94.568%0.68155%0.552SS**  trans-62.6127.7175.139.80000109.5L237 D241 T243L237-T239 PolarHBondContact O-N 2.77Å; T239-D241 PolarHBondContact O-N 3.49Å; T239-T243 WeakPolarHBondContact O-CG2 3.31Å; T239-T243 PolarHBondContact O-OG1 3.09Å
240T53.4Low59.5Low103 Ų10389 Ų8963%0.63252%0.516SS*.THydrogen-bonded Turntrans-71.3-32.7-136.4-43.90000115.7L238 L244L238-T240 PolarHBondContact O-N 2.74Å; T240-L244 WeakPolarHBondContact O-CD1 3.32Å
241D51.3Low62.5Low126 Ų12685.2 Ų85.267%0.67449%0.487SS*.THydrogen-bonded Turntrans-91.2-66.8-170.8-60.2-63000112.7T239 T243 L244T239-D241 PolarHBondContact O-N 3.49Å; D241-T243 VanDerWaalsContact C-N 3.26Å; D241-T243 PolarHBondContact O-N 3.17Å; D241-T243 VanDerWaalsContact O-N 3.15Å; D241-L244 PolarHBondContact O-N 3.06Å
242N52.7Low65.4Low125 Ų12577 Ų7767%0.66845%0.449SS*.THydrogen-bonded Turntrans-66.9-21.7-169.6-66.16.2000114.3L244N242-L244 VanDerWaalsContact C-N 3.31Å; N242-L244 PolarHBondContact O-N 2.97Å
243T66.9Low68.2Low44 Ų4475.7 Ų75.727%0.2743%0.429SS..THydrogen-bonded Turntrans-78.7-12.6-177.560.40000114T239 D241 R246T239-T243 WeakPolarHBondContact O-CG2 3.31Å; T239-T243 PolarHBondContact O-OG1 3.09Å; D241-T243 VanDerWaalsContact C-N 3.26Å; D241-T243 PolarHBondContact O-N 3.17Å; D241-T243 VanDerWaalsContact O-N 3.15Å; T243-R246 PolarHBondContact O-NH1 2.79Å; T243-R246 PolarHBondContact O-NH2 2.81Å
244L86.3Confident71.3Confident27 Ų2770.6 Ų70.614%0.14140%0.398CS..THydrogen-bonded Turntrans-102.8-12.3-177.9-57.9-177.8000113.5T240 D241 N242 R276 L277 L279T240-L244 WeakPolarHBondContact O-CD1 3.32Å; D241-L244 PolarHBondContact O-N 3.06Å; N242-L244 VanDerWaalsContact C-N 3.31Å; N242-L244 PolarHBondContact O-N 2.97Å; L244-R276 CarbonylContact O-C 3.57Å; L244-R276 WeakPolarHBondContact O-CA 3.41Å; L244-L277 PolarHBondContact O-N 2.82Å; L244-L279 HydrophobicContact CD1-CD1 3.81Å; L244-L279 HydrophobicContact CD1-CG 4.02Å; L244-L279 HydrophobicContact CD2-CD1 3.93Å; L244-L279 HydrophobicContact CD2-CD2 4.21Å; L244-L279 HydrophobicContact CD2-CG 4.08Å
245E91.9Very high74.2Confident81 Ų8170.4 Ų70.438%0.37939%0.394SS..EExtended strand (participates in β ladder)trans-71.9144.7174.7-52.9-147135.100111.8R276E245-R276 HydrophobicContact CG-CG 4.36Å; E245-R276 IonicContact OE1-CZ 3.94Å; E245-R276 IonicContact OE1-NE 3.26Å; E245-R276 PolarHBondContact OE1-NE 3.38Å; E245-R276 IonicContact OE1-NH2 3.05Å; E245-R276 PolarHBondContact OE1-NH2 2.92Å
246R94.1Very high76.4Confident45 Ų4569 Ų6917%0.1738%0.38CS..EExtended strand (participates in β ladder)trans-134.3121.4-177.5-63.2-68.5177-90.77.1108.8Q194 T243 F248 T274 G275 L296Q194-R246 WeakPolarHBondContact O-CD 3.47Å; Q194-R246 PolarHBondContact O-NE 2.96Å; T243-R246 PolarHBondContact O-NH1 2.79Å; T243-R246 PolarHBondContact O-NH2 2.81Å; R246-F248 HydrophobicContact CB-CD1 4.32Å; R246-F248 HydrophobicContact CB-CE1 4.14Å; R246-T274 CarbonylContact O-C 3.46Å; R246-T274 WeakPolarHBondContact O-CA 3.22Å; R246-G275 PolarHBondContact N-O 3.02Å; R246-G275 PolarHBondContact O-N 3.44Å; R246-L296 HydrophobicContact CB-CD1 4.08Å; R246-L296 HydrophobicContact CG-CD1 3.89Å
247S95.2Very high77.9Confident80 Ų8069.8 Ų69.856%0.55938%0.381SS*.EExtended strand (participates in β ladder)trans-141.3112.6174.7-173.50000108.5H272 I273S247-H272 PolarHBondContact OG-NE2 3.24Å; S247-H272 VanDerWaalsContact OG-NE2 3.07Å; S247-I273 VanDerWaalsContact CA-O 3.28Å; S247-I273 WeakPolarHBondContact CA-O 3.3Å
248F96.3Very high78.8Confident6 Ų665.2 Ų65.23%0.02635%0.354CS..EExtended strand (participates in β ladder)trans-160.8167-173.164-78000111.5M191 Q194 R246 I250 I273 L296M191-F248 HydrophobicContact CE-CZ 4.28Å; M191-F248 HydrophobicContact SD-CE2 3.61Å; M191-F248 HydrophobicContact SD-CZ 3.71Å; Q194-F248 HydrophobicContact CB-CD1 4.15Å; Q194-F248 HydrophobicContact CB-CE1 3.78Å; Q194-F248 HydrophobicContact CB-CE2 4.17Å; Q194-F248 HydrophobicContact CB-CZ 3.79Å; Q194-F248 HydrophobicContact CG-CB 4.41Å; Q194-F248 HydrophobicContact CG-CD1 3.78Å; Q194-F248 HydrophobicContact CG-CD2 3.86Å; Q194-F248 HydrophobicContact CG-CE1 3.91Å; Q194-F248 HydrophobicContact CG-CE2 3.98Å; Q194-F248 HydrophobicContact CG-CG 3.77Å; Q194-F248 HydrophobicContact CG-CZ 4.02Å; R246-F248 HydrophobicContact CB-CD1 4.32Å; R246-F248 HydrophobicContact CB-CE1 4.14Å; F248-I250 HydrophobicContact CD2-CG2 3.69Å; F248-I250 HydrophobicContact CE2-CG2 3.6Å; F248-I273 HydrophobicContact CD1-CB 4.33Å; F248-I273 HydrophobicContact CD1-CG2 4.3Å; F248-I273 HydrophobicContact CE1-CB 4.03Å; F248-I273 HydrophobicContact CE1-CG2 3.64Å; F248-I273 HydrophobicContact CE2-CD1 4.03Å; F248-I273 HydrophobicContact CZ-CB 4.14Å; F248-I273 HydrophobicContact CZ-CD1 3.89Å; F248-I273 HydrophobicContact CZ-CG2 3.9Å; F248-I273 PolarHBondContact N-O 2.93Å; F248-I273 VanDerWaalsContact N-O 3.14Å; F248-I273 PolarHBondContact O-N 3.37Å; F248-L296 HydrophobicContact CE1-CD2 4.5Å; F248-L296 HydrophobicContact CZ-CD2 4.43Å
249F97.3Very high79.1Confident11 Ų1171 Ų715%0.04837%0.369CS..EExtended strand (participates in β ladder)trans-116129.6-176.7-60.1-86.3000111.1V270 I271 H272 L303 D369 K373 C376 V377F249-V270 HydrophobicContact CB-CG1 4.24Å; F249-V270 HydrophobicContact CD1-CG1 4.23Å; F249-I271 WeakPolarHBondContact CA-O 3.3Å; F249-H272 HydrophobicContact CD1-CB 3.79Å; F249-H272 AromaticContact CD1-CD2 3.87Å; F249-H272 HydrophobicContact CE1-CB 3.53Å; F249-H272 AromaticContact CE1-CD2 3.38Å; F249-H272 WeakPolarHBondContact CE1-CD2 3.35Å; F249-H272 AromaticContact CE1-CG 3.45Å; F249-H272 VanDerWaalsContact CE1-CG 3.45Å; F249-H272 HydrophobicContact CZ-CB 4.49Å; F249-H272 AromaticContact CZ-CD2 3.52Å; F249-H272 AromaticContact CZ-CG 3.95Å; F249-H272 AromaticContact CZ-NE2 3.91Å; F249-L303 HydrophobicContact CD1-CD1 4.17Å; F249-L303 HydrophobicContact CE1-CD1 4.12Å; F249-D369 HydrophobicContact CD2-CB 4.35Å; F249-D369 WeakPolarHBondContact CD2-OD2 3.48Å; F249-K373 HydrophobicContact CB-CD 3.81Å; F249-K373 WeakPolarHBondContact O-CD 3.36Å; F249-K373 WeakPolarHBondContact O-CE 3.32Å; F249-K373 PolarHBondContact O-NZ 2.96Å; F249-C376 HydrophobicContact CE2-CB 4.43Å; F249-C376 HydrophobicContact CZ-CB 4.42Å; F249-V377 HydrophobicContact CE1-CB 4.23Å; F249-V377 HydrophobicContact CE1-CG2 4.41Å; F249-V377 HydrophobicContact CZ-CB 4.04Å; F249-V377 VanDerWaalsContact CZ-O 3.29Å; F249-V377 WeakPolarHBondContact CZ-O 3.39Å
250I97Very high79.5Confident0 Ų069.7 Ų69.70%038%0.377CS..EExtended strand (participates in β ladder)trans-133.4156.1172.865177.1000111.5V183 D187 M191 F248 M252 I271 I273V183-I250 HydrophobicContact CG1-CB 4.24Å; V183-I250 HydrophobicContact CG1-CD1 4.14Å; V183-I250 HydrophobicContact CG2-CD1 3.55Å; D187-I250 HydrophobicContact CB-CB 4.36Å; D187-I250 HydrophobicContact CB-CG2 4.3Å; M191-I250 HydrophobicContact SD-CD1 3.72Å; F248-I250 HydrophobicContact CD2-CG2 3.69Å; F248-I250 HydrophobicContact CE2-CG2 3.6Å; I250-M252 HydrophobicContact CD1-CG 4.07Å; I250-M252 HydrophobicContact CD1-SD 4.41Å; I250-M252 HydrophobicContact CG1-CG 4.07Å; I250-I271 PolarHBondContact N-O 2.96Å; I250-I271 PolarHBondContact O-N 3.23Å; I250-I273 HydrophobicContact CD1-CD1 3.39Å; I250-I273 HydrophobicContact CG1-CD1 3.75Å; I250-I273 HydrophobicContact CG1-CG1 4.45Å
251R96.3Very high79Confident58 Ų5867.4 Ų67.422%0.21936%0.362CS..EExtended strand (participates in β ladder)trans-92.7113.6175.1-65169.8-77.5-154.2-4.1109.4H184 D187 Y268 K269 V270 N372H184-R251 HydrophobicContact CB-CB 3.64Å; H184-R251 WeakPolarHBondContact CB-O 3.45Å; H184-R251 PolarHBondContact N-O 2.86Å; D187-R251 IonicContact OD1-CZ 2.73Å; D187-R251 VanDerWaalsContact OD1-CZ 3.26Å; D187-R251 IonicContact OD1-NE 3.77Å; D187-R251 PolarHBondContact OD1-NE 2.94Å; D187-R251 VanDerWaalsContact OD1-NE 3.09Å; D187-R251 IonicContact OD1-NH2 2.83Å; D187-R251 PolarHBondContact OD1-NH2 2.99Å; D187-R251 VanDerWaalsContact OD2-CB 3.26Å; D187-R251 WeakPolarHBondContact OD2-CB 3.4Å; D187-R251 WeakPolarHBondContact OD2-CG 3.41Å; D187-R251 IonicContact OD2-CZ 2.59Å; D187-R251 PolarHBondContact OD2-N 2.83Å; D187-R251 IonicContact OD2-NE 3.36Å; D187-R251 PolarHBondContact OD2-NE 3Å; D187-R251 IonicContact OD2-NH2 3.98Å; R251-Y268 HydrophobicContact CB-CD1 4.33Å; R251-K269 CarbonylContact C-O 3.53Å; R251-K269 VanDerWaalsContact CA-O 3.28Å; R251-K269 WeakPolarHBondContact CA-O 3.47Å; R251-V270 HydrophobicContact CG-CG2 4.32Å; R251-N372 PolarHBondContact NH1-O 2.96Å
252M96.5Very high78.2Confident1 Ų171.2 Ų71.21%0.00538%0.376CS..EExtended strand (participates in β ladder)trans-104.8146.2176.8-65.3-168.171.800111.9F146 F156 L167 Y182 V183 I250 Y268 K269 I271F146-M252 HydrophobicContact CE2-SD 4.44Å; F146-M252 HydrophobicContact CZ-SD 4.11Å; F156-M252 HydrophobicContact CZ-CE 4.18Å; L167-M252 HydrophobicContact CD1-CB 3.89Å; L167-M252 HydrophobicContact CD1-CE 4.27Å; L167-M252 HydrophobicContact CD1-SD 4.29Å; L167-M252 HydrophobicContact CD2-CB 4.33Å; Y182-M252 CarbonylContact O-C 3.58Å; Y182-M252 WeakPolarHBondContact O-CA 3.36Å; V183-M252 HydrophobicContact CG2-CG 4.31Å; I250-M252 HydrophobicContact CD1-CG 4.07Å; I250-M252 HydrophobicContact CD1-SD 4.41Å; I250-M252 HydrophobicContact CG1-CG 4.07Å; M252-Y268 CarbonylContact O-C 3.52Å; M252-Y268 WeakPolarHBondContact O-CA 3.35Å; M252-K269 PolarHBondContact N-O 3.45Å; M252-K269 PolarHBondContact O-N 2.82Å; M252-I271 HydrophobicContact CB-CG1 3.78Å; M252-I271 HydrophobicContact CG-CB 4.29Å; M252-I271 HydrophobicContact CG-CG1 3.73Å; M252-I271 HydrophobicContact SD-CB 4.38Å; M252-I271 HydrophobicContact SD-CG1 3.94Å; M252-I271 HydrophobicContact SD-CG2 4.37Å
253K95Very high77.9Confident81 Ų8170.2 Ų70.235%0.35237%0.369SS..EExtended strand (participates in β ladder)trans-57.5136.3178.1-74.6-180-172.7167.70111.3L167 L169 D181 Y182 G267 Y268L167-K253 WeakPolarHBondContact CD2-O 3.29Å; L169-K253 HydrophobicContact CD1-CB 4.46Å; L169-K253 WeakPolarHBondContact CD1-O 3.24Å; D181-K253 WeakPolarHBondContact O-CE 3.28Å; D181-K253 PolarHBondContact O-NZ 3.39Å; Y182-K253 WeakPolarHBondContact O-CG 3.45Å; Y182-K253 PolarHBondContact O-N 3.03Å; K253-G267 CarbonylContact C-O 3.44Å; K253-G267 VanDerWaalsContact CA-O 3.24Å; K253-G267 WeakPolarHBondContact CA-O 3.17Å; K253-Y268 HydrophobicContact CB-CE1 4.41Å; K253-Y268 WeakPolarHBondContact CE-OH 3.42Å; K253-Y268 HydrophobicContact CG-CD1 4.04Å; K253-Y268 HydrophobicContact CG-CE1 3.43Å; K253-Y268 VanDerWaalsContact CG-CE1 3.43Å
254S92.4Very high76.7Confident16 Ų1678 Ų7811%0.11240%0.4CS..  trans-135.3124.1179.7172.80000110.2L167 L256 G267L167-S254 CarbonylContact O-C 3.51Å; L167-S254 VanDerWaalsContact O-CA 3.25Å; L167-S254 WeakPolarHBondContact O-CA 3.36Å; S254-L256 PolarHBondContact OG-N 2.92Å; S254-G267 PolarHBondContact N-O 3.24Å
255T90.4Very high75.2Confident89 Ų8980 Ų8055%0.54642%0.416SS..  trans-86.9-10.9173.955.90000112.6L167 G168 L169 T257L167-T255 PolarHBondContact O-N 3.36Å; L167-T255 PolarHBondContact O-OG1 3.01Å; G168-T255 VanDerWaalsContact CA-OG1 3.27Å; G168-T255 WeakPolarHBondContact CA-OG1 3.42Å; G168-T255 PolarHBondContact O-OG1 2.83Å; L169-T255 HydrophobicContact CD2-CG2 3.88Å; T255-T257 PolarHBondContact O-N 3.29Å
256L84.8Confident73.7Confident68 Ų6880.8 Ų80.836%0.35643%0.43SS..  trans-65114.9177.7-59.2174.5000111.2I165 Y166 S254I165-L256 WeakPolarHBondContact O-CD1 3.41Å; Y166-L256 WeakPolarHBondContact O-CD1 3.47Å; S254-L256 PolarHBondContact OG-N 2.92Å
257T67.9Low73.4Confident117 Ų11780 Ų8072%0.71844%0.437SS*.  trans-75.5131172.751.80000110.5T255 R259T255-T257 PolarHBondContact O-N 3.29Å; T257-R259 PolarHBondContact O-N 3.34Å
258K62.3Low73.1Confident73 Ų7379 Ų7932%0.31742%0.421SS..  trans-73.591.3173.5-169.7170.9-173.6176.30109.4G260 V261 T307K258-G260 PolarHBondContact O-N 3.31Å; K258-V261 HydrophobicContact CD-CB 4.14Å; K258-V261 HydrophobicContact CD-CG2 3.88Å; K258-V261 HydrophobicContact CG-CB 4.22Å; K258-V261 HydrophobicContact CG-CG2 4.13Å; K258-V261 PolarHBondContact O-N 3.12Å; K258-T307 PolarHBondContact NZ-OG1 3.18Å
259R53.3Low72.9Confident230 Ų23081.4 Ų81.487%0.86843%0.431SS*.THydrogen-bonded Turntrans-51.7137.3173.1-63.2-175.3-174.7175.12.7109.7T257 V261T257-R259 PolarHBondContact O-N 3.34Å; R259-V261 PolarHBondContact O-N 2.78Å
260G48Very low72.8Confident83 Ų8381.2 Ų81.286%0.85643%0.431SS*.THydrogen-bonded Turntrans81.71.1175.600000116.6K258K258-G260 PolarHBondContact O-N 3.31Å
261V42.6Very low72.8Confident54 Ų5481.2 Ų81.233%0.32743%0.431SS..  trans-128.1114.5175-176.10000110.4K258 R259 I263K258-V261 HydrophobicContact CD-CB 4.14Å; K258-V261 HydrophobicContact CD-CG2 3.88Å; K258-V261 HydrophobicContact CG-CB 4.22Å; K258-V261 HydrophobicContact CG-CG2 4.13Å; K258-V261 PolarHBondContact O-N 3.12Å; R259-V261 PolarHBondContact O-N 2.78Å; V261-I263 HydrophobicContact CG1-CB 3.96Å; V261-I263 HydrophobicContact CG1-CD1 3.79Å; V261-I263 HydrophobicContact CG1-CG1 3.76Å; V261-I263 PolarHBondContact O-N 3.07Å
262H35.8Very low72.8Confident206 Ų20679.6 Ų79.695%0.95443%0.426SS*.  trans-74.833.3179.7-73.1-88.6000114.1
263I46Very low72.8Confident104 Ų10479.6 Ų79.653%0.53343%0.426SS..SBendtrans-99.4127.6172.6-63.4173.5000107.4V261 S265V261-I263 HydrophobicContact CG1-CB 3.96Å; V261-I263 HydrophobicContact CG1-CD1 3.79Å; V261-I263 HydrophobicContact CG1-CG1 3.76Å; V261-I263 PolarHBondContact O-N 3.07Å; I263-S265 VanDerWaalsContact C-N 3.3Å; I263-S265 PolarHBondContact O-N 2.77Å
264K42.2Very low72.9Confident208 Ų20877.8 Ų77.890%0.90442%0.421SS*.  trans-66.191.8167.6-64.4176.7-176.7175.10108
265S53.7Low73.1Confident69 Ų6978 Ų7848%0.48343%0.427SS..  trans-56.2142.4168.551.60000108.6I263 G267I263-S265 VanDerWaalsContact C-N 3.3Å; I263-S265 PolarHBondContact O-N 2.77Å; S265-G267 PolarHBondContact O-N 3.22Å
266S61.8Low73.2Confident98 Ų9881.2 Ų81.269%0.68543%0.429SS*.  trans-66.54.6-171.953.30000114.8Y268S266-Y268 VanDerWaalsContact C-N 3.33Å; S266-Y268 WeakPolarHBondContact O-CD2 3.46Å; S266-Y268 WeakPolarHBondContact O-CE2 3.4Å
267G85.9Confident73.6Confident29 Ų2978.2 Ų78.230%0.29941%0.413SS..SBendtrans7814.7-169.200000113.5K253 S254 S265K253-G267 CarbonylContact C-O 3.44Å; K253-G267 VanDerWaalsContact CA-O 3.24Å; K253-G267 WeakPolarHBondContact CA-O 3.17Å; S254-G267 PolarHBondContact N-O 3.24Å; S265-G267 PolarHBondContact O-N 3.22Å
268Y90.7Very high74.5Confident58 Ų5873.8 Ų73.823%0.22738%0.383CS..EExtended strand (participates in β ladder)trans-130.4154.6179.8-62.3-92.9000112.8H184 R251 M252 K253 S266H184-Y268 HydrophobicContact CB-CD1 3.84Å; H184-Y268 HydrophobicContact CB-CE1 3.72Å; H184-Y268 HydrophobicContact CB-CG 4.49Å; H184-Y268 AromaticContact CD2-CE2 3.87Å; H184-Y268 AromaticContact CD2-CZ 3.95Å; R251-Y268 HydrophobicContact CB-CD1 4.33Å; M252-Y268 CarbonylContact O-C 3.52Å; M252-Y268 WeakPolarHBondContact O-CA 3.35Å; K253-Y268 HydrophobicContact CB-CE1 4.41Å; K253-Y268 WeakPolarHBondContact CE-OH 3.42Å; K253-Y268 HydrophobicContact CG-CD1 4.04Å; K253-Y268 HydrophobicContact CG-CE1 3.43Å; K253-Y268 VanDerWaalsContact CG-CE1 3.43Å; S266-Y268 VanDerWaalsContact C-N 3.33Å; S266-Y268 WeakPolarHBondContact O-CD2 3.46Å; S266-Y268 WeakPolarHBondContact O-CE2 3.4Å
269K91.9Very high75.6Confident57 Ų5772.1 Ų72.125%0.24838%0.378CS..EExtended strand (participates in β ladder)trans-122.1151.8164.1-77.5-169.6-179.2-179.20110.3Y166 L167 R251 M252 I271 A302Y166-K269 WeakPolarHBondContact O-CD 3.45Å; Y166-K269 WeakPolarHBondContact O-CE 3.24Å; Y166-K269 PolarHBondContact O-NZ 3.11Å; L167-K269 HydrophobicContact CD2-CB 4.13Å; L167-K269 HydrophobicContact CD2-CD 4.34Å; R251-K269 CarbonylContact C-O 3.53Å; R251-K269 VanDerWaalsContact CA-O 3.28Å; R251-K269 WeakPolarHBondContact CA-O 3.47Å; M252-K269 PolarHBondContact N-O 3.45Å; M252-K269 PolarHBondContact O-N 2.82Å; K269-I271 HydrophobicContact CB-CD1 4.48Å; K269-A302 HydrophobicContact CD-CB 4.4Å
270V94Very high76.6Confident7 Ų766.7 Ų66.74%0.04236%0.357CS..EExtended strand (participates in β ladder)trans-76.1126167.9-173.40000109.3F249 R251 L303 K373 Q375F249-V270 HydrophobicContact CB-CG1 4.24Å; F249-V270 HydrophobicContact CD1-CG1 4.23Å; R251-V270 HydrophobicContact CG-CG2 4.32Å; V270-L303 HydrophobicContact CB-CD1 4.31Å; V270-L303 HydrophobicContact CG1-CD1 3.89Å; V270-L303 PolarHBondContact O-N 3.43Å; V270-L303 VanDerWaalsContact O-N 3.14Å; V270-K373 HydrophobicContact CG2-CB 4.5Å; V270-K373 WeakPolarHBondContact CG2-O 3.45Å; V270-Q375 HydrophobicContact CB-CB 4.07Å; V270-Q375 HydrophobicContact CB-CG 4.42Å; V270-Q375 HydrophobicContact CG1-CB 4.28Å; V270-Q375 HydrophobicContact CG2-CB 3.97Å; V270-Q375 HydrophobicContact CG2-CG 4.06Å
271I96.7Very high77.5Confident0 Ų066 Ų660%034%0.337CS..EExtended strand (participates in β ladder)trans-112.8124.1175.6-58.5-53.6000108F146 L167 F249 I250 M252 K269 I273 A300 H301 A302F146-I271 HydrophobicContact CE1-CD1 4.11Å; F146-I271 HydrophobicContact CZ-CD1 4.3Å; F146-I271 HydrophobicContact CZ-CG1 4.43Å; F146-I271 HydrophobicContact CZ-CG2 4.19Å; L167-I271 HydrophobicContact CD2-CD1 4.01Å; F249-I271 WeakPolarHBondContact CA-O 3.3Å; I250-I271 PolarHBondContact N-O 2.96Å; I250-I271 PolarHBondContact O-N 3.23Å; M252-I271 HydrophobicContact CB-CG1 3.78Å; M252-I271 HydrophobicContact CG-CB 4.29Å; M252-I271 HydrophobicContact CG-CG1 3.73Å; M252-I271 HydrophobicContact SD-CB 4.38Å; M252-I271 HydrophobicContact SD-CG1 3.94Å; M252-I271 HydrophobicContact SD-CG2 4.37Å; K269-I271 HydrophobicContact CB-CD1 4.48Å; I271-I273 HydrophobicContact CG2-CG1 3.95Å; I271-A300 HydrophobicContact CG2-CB 3.74Å; I271-H301 WeakPolarHBondContact CA-O 3.32Å; I271-A302 HydrophobicContact CD1-CB 3.45Å; I271-A302 VanDerWaalsContact CD1-CB 3.45Å
272H97.1Very high78.4Confident24 Ų2466.3 Ų66.311%0.11134%0.341CS..EExtended strand (participates in β ladder)trans-83.7120.4165-176-148.4000108.5S247 F249 T274 A300 H301 L303S247-H272 PolarHBondContact OG-NE2 3.24Å; S247-H272 VanDerWaalsContact OG-NE2 3.07Å; F249-H272 HydrophobicContact CD1-CB 3.79Å; F249-H272 AromaticContact CD1-CD2 3.87Å; F249-H272 HydrophobicContact CE1-CB 3.53Å; F249-H272 AromaticContact CE1-CD2 3.38Å; F249-H272 WeakPolarHBondContact CE1-CD2 3.35Å; F249-H272 AromaticContact CE1-CG 3.45Å; F249-H272 VanDerWaalsContact CE1-CG 3.45Å; F249-H272 HydrophobicContact CZ-CB 4.49Å; F249-H272 AromaticContact CZ-CD2 3.52Å; F249-H272 AromaticContact CZ-CG 3.95Å; F249-H272 AromaticContact CZ-NE2 3.91Å; H272-T274 WeakPolarHBondContact CE1-CG2 3.27Å; H272-A300 WeakPolarHBondContact O-CA 3.22Å; H272-H301 HydrophobicContact CB-CB 4.48Å; H272-H301 PolarHBondContact N-O 3.4Å; H272-H301 PolarHBondContact O-N 3.37Å; H272-L303 HydrophobicContact CB-CD2 4.2Å
273I97Very high79.4Confident0 Ų063.4 Ų63.40%033%0.332CS..EExtended strand (participates in β ladder)trans-101.8128.3177.2-68-177.2000108.1F148 S247 F248 I250 I271 V298 A300F148-I273 HydrophobicContact CZ-CD1 3.93Å; S247-I273 VanDerWaalsContact CA-O 3.28Å; S247-I273 WeakPolarHBondContact CA-O 3.3Å; F248-I273 HydrophobicContact CD1-CB 4.33Å; F248-I273 HydrophobicContact CD1-CG2 4.3Å; F248-I273 HydrophobicContact CE1-CB 4.03Å; F248-I273 HydrophobicContact CE1-CG2 3.64Å; F248-I273 HydrophobicContact CE2-CD1 4.03Å; F248-I273 HydrophobicContact CZ-CB 4.14Å; F248-I273 HydrophobicContact CZ-CD1 3.89Å; F248-I273 HydrophobicContact CZ-CG2 3.9Å; F248-I273 PolarHBondContact N-O 2.93Å; F248-I273 VanDerWaalsContact N-O 3.14Å; F248-I273 PolarHBondContact O-N 3.37Å; I250-I273 HydrophobicContact CD1-CD1 3.39Å; I250-I273 HydrophobicContact CG1-CD1 3.75Å; I250-I273 HydrophobicContact CG1-CG1 4.45Å; I271-I273 HydrophobicContact CG2-CG1 3.95Å; I273-V298 HydrophobicContact CG2-CB 3.76Å; I273-V298 HydrophobicContact CG2-CG1 3.38Å; I273-V298 HydrophobicContact CG2-CG2 4.11Å; I273-A300 HydrophobicContact CG1-CB 4.49Å
274T96.8Very high79.7Confident43 Ų4360.9 Ų60.926%0.26432%0.323SS..EExtended strand (participates in β ladder)trans-129.1137.2170.263.20000110.6R246 H272 V298 V299R246-T274 CarbonylContact O-C 3.46Å; R246-T274 WeakPolarHBondContact O-CA 3.22Å; H272-T274 WeakPolarHBondContact CE1-CG2 3.27Å; T274-V298 CarbonylContact O-C 3.57Å; T274-V298 WeakPolarHBondContact O-CA 3.47Å; T274-V298 WeakPolarHBondContact O-CB 3.3Å; T274-V299 PolarHBondContact N-O 3.08Å; T274-V299 PolarHBondContact O-N 3.4Å; T274-V299 VanDerWaalsContact O-O 3.09Å
275G95.6Very high80Confident22 Ų2260.6 Ų60.623%0.22732%0.324CS..EExtended strand (participates in β ladder)trans165.7-158.2179.200000114R246 V297R246-G275 PolarHBondContact N-O 3.02Å; R246-G275 PolarHBondContact O-N 3.44Å; G275-V297 VanDerWaalsContact CA-O 3.32Å; G275-V297 WeakPolarHBondContact CA-O 2.99Å
276R93.9Very high80.1Confident155 Ų15561.5 Ų61.559%0.58535%0.345SS*.EExtended strand (participates in β ladder)trans-138.3143.9-174.3-59.3-170.5-179.395.93.7112.8L244 E245 V297L244-R276 CarbonylContact O-C 3.57Å; L244-R276 WeakPolarHBondContact O-CA 3.41Å; E245-R276 HydrophobicContact CG-CG 4.36Å; E245-R276 IonicContact OE1-CZ 3.94Å; E245-R276 IonicContact OE1-NE 3.26Å; E245-R276 PolarHBondContact OE1-NE 3.38Å; E245-R276 IonicContact OE1-NH2 3.05Å; E245-R276 PolarHBondContact OE1-NH2 2.92Å; R276-V297 PolarHBondContact N-O 2.85Å; R276-V297 PolarHBondContact O-N 3.26Å
277L91.9Very high79.9Confident6 Ų666.2 Ų66.23%0.03135%0.348CS..EExtended strand (participates in β ladder)trans-81.4112.9174.2-163.271.1000109.1L244 I293 L296L244-L277 PolarHBondContact O-N 2.82Å; L277-I293 HydrophobicContact CD1-CG2 3.8Å; L277-I293 HydrophobicContact CD2-CD1 3.85Å; L277-I293 HydrophobicContact CD2-CG1 3.84Å; L277-I293 HydrophobicContact CD2-CG2 4.05Å; L277-I293 HydrophobicContact CG-CG1 4.4Å; L277-I293 HydrophobicContact CG-CG2 3.87Å; L277-L296 HydrophobicContact CD1-CB 4.17Å; L277-L296 HydrophobicContact CD1-CD1 4.46Å
278R88.3Confident78.5Confident24 Ų2469.7 Ų69.79%0.09136%0.364CS..EExtended strand (participates in β ladder)trans-84.5126.8-173.9-158.5168.5-178-137.90.7109.9F76 A77 G80 P82 M294 G295 V297F76-R278 HydrophobicContact CZ-CB 4.13Å; F76-R278 PolarHBondContact O-NH1 3.41Å; A77-R278 PolarHBondContact O-NH2 2.75Å; A77-R278 VanDerWaalsContact O-NH2 3.09Å; G80-R278 PolarHBondContact O-NH2 2.81Å; P82-R278 PolarHBondContact O-NH2 3.13Å; R278-M294 WeakPolarHBondContact O-CB 3.42Å; R278-M294 PolarHBondContact O-N 2.77Å; R278-G295 PolarHBondContact N-O 2.55Å; R278-V297 HydrophobicContact CB-CG2 4.46Å
279L83.6Confident76.8Confident38 Ų3869.3 Ų69.320%0.19937%0.367CS..EExtended strand (participates in β ladder)trans-99.5151.3179.3-59-173.1000112L244 P290 Q292 I293L244-L279 HydrophobicContact CD1-CD1 3.81Å; L244-L279 HydrophobicContact CD1-CG 4.02Å; L244-L279 HydrophobicContact CD2-CD1 3.93Å; L244-L279 HydrophobicContact CD2-CD2 4.21Å; L244-L279 HydrophobicContact CD2-CG 4.08Å; L279-P290 HydrophobicContact CD1-CB 3.96Å; L279-Q292 WeakPolarHBondContact CA-O 3.49Å; L279-I293 HydrophobicContact CD2-CB 4.44Å; L279-I293 HydrophobicContact CD2-CG1 3.8Å
280R75.7Confident75.1Confident116 Ų11669.8 Ų69.844%0.43838%0.376SS..EExtended strand (participates in β ladder)trans-90.3117.2165-167177.3-174.1179.54.1109Q79 S291 Q292 M294Q79-R280 VanDerWaalsContact OE1-NH2 3.08Å; R280-S291 PolarHBondContact O-N 3.17Å; R280-Q292 HydrophobicContact CB-CB 4.45Å; R280-Q292 PolarHBondContact N-O 2.91Å; R280-M294 HydrophobicContact CB-CG 3.74Å; R280-M294 HydrophobicContact CB-SD 3.92Å; R280-M294 HydrophobicContact CG-SD 4.48Å
281V66.9Low73.6Confident69 Ų6973 Ų7342%0.41840%0.399SS..EExtended strand (participates in β ladder)trans-77.5130.7170.4-176.70000108.7T288V281-T288 HydrophobicContact CG1-CG2 4.22Å
282S60.3Low72.7Confident60 Ų6078.3 Ų78.342%0.4242%0.423SS..EExtended strand (participates in β ladder)trans-105129.6168.3-166.10000109.2V289S282-V289 PolarHBondContact N-O 2.87Å; S282-V289 PolarHBondContact O-N 2.8Å
283L57.6Low72.1Confident145 Ų14579.7 Ų79.776%0.75943%0.431SS*.EExtended strand (participates in β ladder)trans-96.3106.6172.3-73.4170.2000108.2T288L283-T288 HydrophobicContact CD2-CG2 3.54Å
284S52.1Low71.7Confident51 Ų5180.4 Ų80.436%0.35744%0.435SS..EExtended strand (participates in β ladder)trans-128.4124.3177.662.20000110.4G286 R287S284-G286 VanDerWaalsContact C-N 3.32Å; S284-G286 PolarHBondContact O-N 2.71Å; S284-G286 VanDerWaalsContact O-N 3.11Å; S284-R287 PolarHBondContact N-O 2.93Å; S284-R287 PolarHBondContact O-N 2.81Å; S284-R287 VanDerWaalsContact O-O 3.13Å
285H49.5Very low71.5Confident201 Ų20178.3 Ų78.393%0.93142%0.422SS*.THydrogen-bonded Turntrans42.150.1174.2-60.6100.4000115.4R287H285-R287 VanDerWaalsContact C-N 3.3Å; H285-R287 PolarHBondContact O-N 2.94Å
286G54.6Low71.5Confident89 Ų8977.3 Ų77.392%0.91841%0.411SS*.THydrogen-bonded Turntrans76.48.717600000115.5S284S284-G286 VanDerWaalsContact C-N 3.32Å; S284-G286 PolarHBondContact O-N 2.71Å; S284-G286 VanDerWaalsContact O-N 3.11Å
287R57.4Low71.7Confident196 Ų19671.6 Ų71.674%0.7439%0.394SS*.EExtended strand (participates in β ladder)trans-120131.2172.4-63.7-175.7179.3-174-1.1110.6S284 H285 V289S284-R287 PolarHBondContact N-O 2.93Å; S284-R287 PolarHBondContact O-N 2.81Å; S284-R287 VanDerWaalsContact O-O 3.13Å; H285-R287 VanDerWaalsContact C-N 3.3Å; H285-R287 PolarHBondContact O-N 2.94Å; R287-V289 HydrophobicContact CB-CG2 4.32Å; R287-V289 PolarHBondContact O-N 2.99Å
288T56.2Low71.9Confident103 Ų10371.5 Ų71.563%0.63239%0.393SS*.EExtended strand (participates in β ladder)trans-75.7114.1167.132.70000108.9V281 L283V281-T288 HydrophobicContact CG1-CG2 4.22Å; L283-T288 HydrophobicContact CD2-CG2 3.54Å
289V54.9Low72.4Confident49 Ų4972.1 Ų72.130%0.29740%0.4SS..EExtended strand (participates in β ladder)trans-120.7104.1176.8-163.90000109.3S282 R287 S291S282-V289 PolarHBondContact N-O 2.87Å; S282-V289 PolarHBondContact O-N 2.8Å; R287-V289 HydrophobicContact CB-CG2 4.32Å; R287-V289 PolarHBondContact O-N 2.99Å; V289-S291 WeakPolarHBondContact CG1-OG 3.33Å; V289-S291 PolarHBondContact O-N 2.91Å; V289-S291 PolarHBondContact O-OG 3.48Å
290P56.4Low73.1Confident68 Ų6870.3 Ų70.344%0.44239%0.39SS..EExtended strand (participates in β ladder)trans-69.2118.916929.1-31.4000108.5L279L279-P290 HydrophobicContact CD1-CB 3.96Å
291S64.1Low73.9Confident74 Ų7467.5 Ų67.552%0.51738%0.382SS..EExtended strand (participates in β ladder)trans-134.9-7.9-168.2-57.20000115.8R280 V289R280-S291 PolarHBondContact O-N 3.17Å; V289-S291 WeakPolarHBondContact CG1-OG 3.33Å; V289-S291 PolarHBondContact O-N 2.91Å; V289-S291 PolarHBondContact O-OG 3.48Å
292Q76.8Confident75Confident111 Ų11164.9 Ų64.952%0.51937%0.368SS..EExtended strand (participates in β ladder)trans-146.3133.1179.9-162.2175.419.700112.6L279 R280L279-Q292 WeakPolarHBondContact CA-O 3.49Å; R280-Q292 HydrophobicContact CB-CB 4.45Å; R280-Q292 PolarHBondContact N-O 2.91Å
293I85.3Confident76.1Confident53 Ų5362.7 Ų62.727%0.27235%0.351SS..EExtended strand (participates in β ladder)trans-69.9125.9168.8-66.6160.1000108.6L277 L279L277-I293 HydrophobicContact CD1-CG2 3.8Å; L277-I293 HydrophobicContact CD2-CD1 3.85Å; L277-I293 HydrophobicContact CD2-CG1 3.84Å; L277-I293 HydrophobicContact CD2-CG2 4.05Å; L277-I293 HydrophobicContact CG-CG1 4.4Å; L277-I293 HydrophobicContact CG-CG2 3.87Å; L279-I293 HydrophobicContact CD2-CB 4.44Å; L279-I293 HydrophobicContact CD2-CG1 3.8Å
294M88.5Confident76.8Confident15 Ų1559.3 Ų59.37%0.07434%0.338CS..EExtended strand (participates in β ladder)trans-88.5-25.4172.7-63.1173.75600112.3F76 Q79 N151 Q152 R278 R280F76-M294 HydrophobicContact CB-CE 4.49Å; F76-M294 HydrophobicContact CD2-CB 3.97Å; F76-M294 HydrophobicContact CD2-CE 3.76Å; F76-M294 HydrophobicContact CE2-CB 3.69Å; F76-M294 HydrophobicContact CE2-CE 4.22Å; F76-M294 HydrophobicContact CG-CE 4.13Å; F76-M294 WeakPolarHBondContact O-CE 3.49Å; Q79-M294 HydrophobicContact CB-CE 3.6Å; Q79-M294 HydrophobicContact CB-SD 4.32Å; N151-M294 CarbonylContact C-O 3.57Å; N151-M294 VanDerWaalsContact CA-O 3.32Å; N151-M294 WeakPolarHBondContact CA-O 3.36Å; Q152-M294 PolarHBondContact N-O 3.09Å; Q152-M294 PolarHBondContact OE1-O 2.74Å; R278-M294 WeakPolarHBondContact O-CB 3.42Å; R278-M294 PolarHBondContact O-N 2.77Å; R280-M294 HydrophobicContact CB-CG 3.74Å; R280-M294 HydrophobicContact CB-SD 3.92Å; R280-M294 HydrophobicContact CG-SD 4.48Å
295G92.4Very high77.3Confident0 Ų059.6 Ų59.60%034%0.338CS..EExtended strand (participates in β ladder)trans138.3-170-175.600000113L150 R278L150-G295 CarbonylContact O-C 3.49Å; L150-G295 VanDerWaalsContact O-CA 3.28Å; L150-G295 WeakPolarHBondContact O-CA 3.07Å; R278-G295 PolarHBondContact N-O 2.55Å
296L96.1Very high77.8Confident0 Ų052.8 Ų52.80%031%0.312CS..EExtended strand (participates in β ladder)trans-116.2130.7-167.1176.961.4000110.5A149 L150 M191 L195 R246 F248 L277 V298A149-L296 CarbonylContact C-O 3.58Å; A149-L296 WeakPolarHBondContact CA-O 3.33Å; L150-L296 HydrophobicContact CB-CB 4.39Å; L150-L296 PolarHBondContact N-O 2.93Å; L150-L296 PolarHBondContact O-N 2.84Å; M191-L296 HydrophobicContact CE-CD2 4.11Å; L195-L296 HydrophobicContact CD2-CB 3.69Å; L195-L296 HydrophobicContact CD2-CD2 4.12Å; L195-L296 HydrophobicContact CG-CD2 4.5Å; R246-L296 HydrophobicContact CB-CD1 4.08Å; R246-L296 HydrophobicContact CG-CD1 3.89Å; F248-L296 HydrophobicContact CE1-CD2 4.5Å; F248-L296 HydrophobicContact CZ-CD2 4.43Å; L277-L296 HydrophobicContact CD1-CB 4.17Å; L277-L296 HydrophobicContact CD1-CD1 4.46Å; L296-V298 HydrophobicContact CD1-CG1 3.6Å; L296-V298 HydrophobicContact CD2-CG1 4.04Å; L296-V298 HydrophobicContact CG-CG1 3.59Å
297V96.9Very high78.1Confident36 Ų3650.4 Ų50.422%0.21828%0.28CS..EExtended strand (participates in β ladder)trans-118.6119.7177-173.80000108.9F76 W84 A149 G275 R276 R278F76-V297 HydrophobicContact CE1-CG2 3.64Å; F76-V297 HydrophobicContact CZ-CG2 3.54Å; W84-V297 HydrophobicContact CH2-CB 4.44Å; W84-V297 HydrophobicContact CH2-CG1 3.73Å; W84-V297 HydrophobicContact CH2-CG2 3.81Å; W84-V297 HydrophobicContact CZ2-CG1 3.97Å; W84-V297 HydrophobicContact CZ2-CG2 3.91Å; A149-V297 HydrophobicContact CB-CG2 4.45Å; G275-V297 VanDerWaalsContact CA-O 3.32Å; G275-V297 WeakPolarHBondContact CA-O 2.99Å; R276-V297 PolarHBondContact N-O 2.85Å; R276-V297 PolarHBondContact O-N 3.26Å; R278-V297 HydrophobicContact CB-CG2 4.46Å
298V97.4Very high78.1Confident3 Ų345 Ų452%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-142.6150.6-166.1-72.70000113.7V147 F148 I273 T274 L296V147-V298 WeakPolarHBondContact CA-O 3.47Å; F148-V298 HydrophobicContact CD1-CG2 3.93Å; F148-V298 HydrophobicContact CD2-CG2 3.51Å; F148-V298 HydrophobicContact CE1-CG2 3.8Å; F148-V298 HydrophobicContact CE2-CG2 3.35Å; F148-V298 HydrophobicContact CG-CG2 3.81Å; F148-V298 HydrophobicContact CZ-CG2 3.52Å; F148-V298 PolarHBondContact N-O 2.89Å; F148-V298 PolarHBondContact O-N 3.11Å; I273-V298 HydrophobicContact CG2-CB 3.76Å; I273-V298 HydrophobicContact CG2-CG1 3.38Å; I273-V298 HydrophobicContact CG2-CG2 4.11Å; T274-V298 CarbonylContact O-C 3.57Å; T274-V298 WeakPolarHBondContact O-CA 3.47Å; T274-V298 WeakPolarHBondContact O-CB 3.3Å; L296-V298 HydrophobicContact CD1-CG1 3.6Å; L296-V298 HydrophobicContact CD2-CG1 4.04Å; L296-V298 HydrophobicContact CG-CG1 3.59Å
299V97.7Very high78.1Confident37 Ų3747.4 Ų47.422%0.22427%0.274CS..EExtended strand (participates in β ladder)trans-97.8136.2157.6-170.30000107.5L143 V147 T274L143-V299 HydrophobicContact CD2-CG1 4.33Å; V147-V299 HydrophobicContact CG2-CG2 4.39Å; T274-V299 PolarHBondContact N-O 3.08Å; T274-V299 PolarHBondContact O-N 3.4Å; T274-V299 VanDerWaalsContact O-O 3.09Å
300A97.6Very high78.2Confident0 Ų050.5 Ų50.50%029%0.285CS..EExtended strand (participates in β ladder)trans-124.8117.6-174.700000110.1G145 F146 F148 I271 H272 I273G145-A300 VanDerWaalsContact CA-O 3.29Å; G145-A300 WeakPolarHBondContact CA-O 3.39Å; F146-A300 HydrophobicContact CD1-CB 4.32Å; F146-A300 WeakPolarHBondContact CD1-O 3.43Å; F146-A300 HydrophobicContact CD2-CB 3.96Å; F146-A300 HydrophobicContact CE1-CB 4.01Å; F146-A300 HydrophobicContact CE2-CB 3.65Å; F146-A300 HydrophobicContact CG-CB 4.29Å; F146-A300 HydrophobicContact CZ-CB 3.67Å; F146-A300 PolarHBondContact N-O 3.28Å; F146-A300 WeakPolarHBondContact O-CB 3.13Å; F146-A300 PolarHBondContact O-N 3.33Å; F148-A300 HydrophobicContact CD1-CB 4.08Å; F148-A300 HydrophobicContact CE1-CB 3.64Å; I271-A300 HydrophobicContact CG2-CB 3.74Å; H272-A300 WeakPolarHBondContact O-CA 3.22Å; I273-A300 HydrophobicContact CG1-CB 4.49Å
301H93.4Very high78.4Confident58 Ų5849.5 Ų49.527%0.26928%0.278SS..EExtended strand (participates in β ladder)trans-103.7122.5-178.3-57.7-75.8000109.2D144 I271 H272D144-H301 PolarHBondContact O-ND1 2.79Å; I271-H301 WeakPolarHBondContact CA-O 3.32Å; H272-H301 HydrophobicContact CB-CB 4.48Å; H272-H301 PolarHBondContact N-O 3.4Å; H272-H301 PolarHBondContact O-N 3.37Å
302A89.4Confident78.4Confident14 Ų1453.2 Ų53.212%0.11628%0.28CS..EExtended strand (participates in β ladder)trans-82.9119.3172.600000109Y166 K269 I271Y166-A302 HydrophobicContact CD1-CB 3.93Å; Y166-A302 HydrophobicContact CG-CB 4.27Å; K269-A302 HydrophobicContact CD-CB 4.4Å; I271-A302 HydrophobicContact CD1-CB 3.45Å; I271-A302 VanDerWaalsContact CD1-CB 3.45Å
303L84.3Confident78.2Confident13 Ų1350.1 Ų50.17%0.06827%0.267CS..PPolyproline II helixtrans-65.2141-175.4-60.4-177.8000110.7F249 V270 H272 Q375 V377F249-L303 HydrophobicContact CD1-CD1 4.17Å; F249-L303 HydrophobicContact CE1-CD1 4.12Å; V270-L303 HydrophobicContact CB-CD1 4.31Å; V270-L303 HydrophobicContact CG1-CD1 3.89Å; V270-L303 PolarHBondContact O-N 3.43Å; V270-L303 VanDerWaalsContact O-N 3.14Å; H272-L303 HydrophobicContact CB-CD2 4.2Å; L303-Q375 HydrophobicContact CB-CB 4.41Å; L303-Q375 HydrophobicContact CD1-CB 3.63Å; L303-V377 HydrophobicContact CD1-CG2 4.37Å; L303-V377 HydrophobicContact CD2-CG2 3.57Å
304P71.2Confident77.5Confident75 Ų7552.8 Ų52.849%0.48728%0.281SS..PPolyproline II helixtrans-56.8154.1-176.6-28.636000113.6Q375P304-Q375 PolarHBondContact O-NE2 3.24Å
305P64.2Low76.4Confident56 Ų5656 Ų5636%0.36431%0.305SS..PPolyproline II helixtrans-58.8151.7177.5-24.335.1000113.2T307P305-T307 PolarHBondContact O-N 2.64Å
306P58.5Low76.1Confident58 Ų5860.9 Ų60.938%0.37733%0.327SS..SBendtrans-6742.1179.6-24.434.6000117.3T398P306-T398 HydrophobicContact CB-CG2 3.52Å; P306-T398 HydrophobicContact CG-CG2 3.58Å
307T60.8Low75.9Confident40 Ų4061.7 Ų61.725%0.24533%0.331CS..  trans-123.1102.9-171.8-30000110.8K258 P305 N309 E310K258-T307 PolarHBondContact NZ-OG1 3.18Å; P305-T307 PolarHBondContact O-N 2.64Å; T307-N309 PolarHBondContact O-N 3.09Å; T307-N309 VanDerWaalsContact O-N 3.11Å; T307-E310 WeakPolarHBondContact CB-OE1 3.48Å; T307-E310 WeakPolarHBondContact O-CB 3.47Å; T307-E310 PolarHBondContact O-N 3.29Å; T307-E310 PolarHBondContact OG1-OE1 3.42Å
308I58.4Low75.7Confident82 Ų8260 Ų6042%0.42132%0.321SS..G310 helixtrans-53.5-34.2-178.3-167.1168.7000113.1E310 V311 V319 I412I308-E310 PolarHBondContact O-N 2.94Å; I308-V311 PolarHBondContact O-N 3.46Å; I308-V311 VanDerWaalsContact O-N 3.09Å; I308-V319 HydrophobicContact CD1-CG1 4.39Å; I308-I412 HydrophobicContact CB-CD1 4.2Å
309N56.1Low75.4Confident153 Ų15360 Ų6082%0.81832%0.321SS*.G310 helixtrans-65.4-14.8177.7-59.612.3000114.5T307T307-N309 PolarHBondContact O-N 3.09Å; T307-N309 VanDerWaalsContact O-N 3.11Å
310E57.2Low75.3Confident115 Ų11558.2 Ų58.254%0.53731%0.31SS..G310 helixtrans-93.5-13176.3-68169.9-120.500112T307 I308 R312T307-E310 WeakPolarHBondContact CB-OE1 3.48Å; T307-E310 WeakPolarHBondContact O-CB 3.47Å; T307-E310 PolarHBondContact O-N 3.29Å; T307-E310 PolarHBondContact OG1-OE1 3.42Å; I308-E310 PolarHBondContact O-N 2.94Å; E310-R312 PolarHBondContact O-N 3.39Å
311V60.6Low75.1Confident47 Ų4761.8 Ų61.829%0.28532%0.324SS..  trans-78.9107.5177.8-1740000109.4I308 I313 M317 V414I308-V311 PolarHBondContact O-N 3.46Å; I308-V311 VanDerWaalsContact O-N 3.09Å; V311-I313 HydrophobicContact CG1-CG1 4.13Å; V311-I313 PolarHBondContact O-N 3.3Å; V311-M317 HydrophobicContact CG1-CE 4.48Å; V311-V414 HydrophobicContact CG1-CG1 4.49Å
312R64.5Low75.2Confident152 Ų15259 Ų5957%0.57431%0.311SS*.  trans-74.3117.9165.1-64.9-178.1-179.1173.41.7108E310 D314E310-R312 PolarHBondContact O-N 3.39Å; R312-D314 PolarHBondContact O-N 3.45Å
313I71.7Confident75.5Confident46 Ų4661.6 Ų61.624%0.23632%0.323CS..  trans-98.988.3-174.8-44174.7000109.4V311 M317 V319 E332 R334V311-I313 HydrophobicContact CG1-CG1 4.13Å; V311-I313 PolarHBondContact O-N 3.3Å; I313-M317 HydrophobicContact CG2-CB 3.84Å; I313-V319 HydrophobicContact CD1-CG2 3.85Å; I313-V319 HydrophobicContact CG1-CG2 4.46Å; I313-E332 WeakPolarHBondContact CD1-OE1 3.36Å; I313-R334 PolarHBondContact O-NH1 2.84Å
314D71.7Confident76Confident108 Ų10864.1 Ų64.158%0.57834%0.335SS*.  trans-66.4178.5178.3-67.7-34.3000112.4R312 M317 R334R312-D314 PolarHBondContact O-N 3.45Å; D314-M317 HydrophobicContact CB-SD 4.39Å; D314-R334 PolarHBondContact O-NH1 3.45Å
315C64.2Low77.2Confident84 Ų8463.4 Ų63.457%0.56833%0.327SS*.THydrogen-bonded Turntrans-64150.6167.750.40000110.8M317C315-M317 VanDerWaalsContact C-N 3.29Å
316H87.3Confident78.8Confident101 Ų10160.8 Ų60.847%0.46831%0.31SS..THydrogen-bonded Turntrans65.926.4-173.2-48.5-82.9000114.3Y338 L417H316-Y338 PolarHBondContact N-OH 3.43Å; H316-L417 HydrophobicContact CB-CB 3.93Å; H316-L417 WeakPolarHBondContact O-CB 3.4Å; H316-L417 PolarHBondContact O-N 3.2Å
317M90.4Very high80.7Confident17 Ų1760 Ų608%0.08430%0.303CS..EExtended strand (participates in β ladder)trans-132145.2169.8-67.2177.461.500111.6V311 I313 D314 C315 R334 V414 N415 Y416V311-M317 HydrophobicContact CG1-CE 4.48Å; I313-M317 HydrophobicContact CG2-CB 3.84Å; D314-M317 HydrophobicContact CB-SD 4.39Å; C315-M317 VanDerWaalsContact C-N 3.29Å; M317-R334 WeakPolarHBondContact O-CD 3.32Å; M317-V414 HydrophobicContact CE-CG1 3.5Å; M317-V414 VanDerWaalsContact CE-CG1 3.5Å; M317-N415 VanDerWaalsContact CA-O 3.28Å; M317-N415 WeakPolarHBondContact CA-O 3.27Å; M317-Y416 HydrophobicContact CE-CD1 3.91Å; M317-Y416 HydrophobicContact CE-CE1 3.37Å; M317-Y416 HydrophobicContact CG-CD1 3.8Å; M317-Y416 HydrophobicContact CG-CE1 4.23Å; M317-Y416 HydrophobicContact SD-CD1 3.78Å; M317-Y416 HydrophobicContact SD-CE1 3.62Å
318F92.3Very high82.4Confident0 Ų058.1 Ų58.10%029%0.291CS..EExtended strand (participates in β ladder)trans-148.4148.1169.372.9-83.7000111.6T320 E332 I335 Y338 M339 I393 N415 L417F318-T320 HydrophobicContact CD2-CG2 4.45Å; F318-T320 HydrophobicContact CE2-CG2 4.07Å; F318-E332 WeakPolarHBondContact CA-OE2 3.34Å; F318-I335 HydrophobicContact CD2-CB 4.18Å; F318-I335 HydrophobicContact CD2-CG1 4.43Å; F318-I335 HydrophobicContact CE2-CB 4.4Å; F318-I335 HydrophobicContact CE2-CD1 3.96Å; F318-I335 HydrophobicContact CE2-CG1 4.17Å; F318-I335 HydrophobicContact CG-CB 4.5Å; F318-I335 HydrophobicContact CZ-CD1 4.27Å; F318-I335 HydrophobicContact CZ-CG1 4.33Å; F318-Y338 HydrophobicContact CD1-CD2 4.2Å; F318-M339 HydrophobicContact CE1-CE 3.64Å; F318-M339 HydrophobicContact CE2-CE 4.33Å; F318-M339 HydrophobicContact CZ-CE 3.35Å; F318-I393 HydrophobicContact CE1-CD1 4.25Å; F318-I393 HydrophobicContact CZ-CD1 4.31Å; F318-N415 HydrophobicContact CD1-CB 3.89Å; F318-N415 HydrophobicContact CD2-CB 4.43Å; F318-N415 HydrophobicContact CE1-CB 3.48Å; F318-N415 VanDerWaalsContact CE1-CB 3.48Å; F318-N415 HydrophobicContact CE2-CB 4.07Å; F318-N415 VanDerWaalsContact CE2-ND2 3.27Å; F318-N415 WeakPolarHBondContact CE2-ND2 3.49Å; F318-N415 HydrophobicContact CG-CB 4.34Å; F318-N415 HydrophobicContact CZ-CB 3.56Å; F318-N415 PolarHBondContact N-O 3.02Å; F318-N415 VanDerWaalsContact N-O 3.15Å; F318-N415 WeakPolarHBondContact O-CB 3.34Å; F318-N415 PolarHBondContact O-N 2.93Å; F318-N415 PolarHBondContact O-ND2 3.35Å; F318-L417 HydrophobicContact CD1-CD1 4.33Å; F318-L417 HydrophobicContact CE1-CD1 4.03Å
319V92.6Very high84.2Confident4 Ų457.3 Ų57.32%0.02429%0.287CS..EExtended strand (participates in β ladder)trans-102.4134.6-177.6-175.60000111.8I308 I313 E332 I412 V414I308-V319 HydrophobicContact CD1-CG1 4.39Å; I313-V319 HydrophobicContact CD1-CG2 3.85Å; I313-V319 HydrophobicContact CG1-CG2 4.46Å; V319-E332 HydrophobicContact CB-CG 4.19Å; V319-E332 PolarHBondContact N-OE2 2.75Å; V319-E332 PolarHBondContact O-N 3.5Å; V319-E332 VanDerWaalsContact O-N 3.1Å; V319-I412 HydrophobicContact CG1-CG2 3.97Å; V319-V414 HydrophobicContact CG2-CG2 4.37Å
320T94.7Very high86.1Confident0 Ų055.8 Ų55.80%027%0.271CS..EExtended strand (participates in β ladder)trans-112.1145.6162.941.30000110.6F318 I328 Y330 C331 W413 N415F318-T320 HydrophobicContact CD2-CG2 4.45Å; F318-T320 HydrophobicContact CE2-CG2 4.07Å; T320-I328 HydrophobicContact CG2-CG2 4.36Å; T320-Y330 CarbonylContact C-O 3.12Å; T320-Y330 WeakPolarHBondContact CA-O 3.22Å; T320-C331 HydrophobicContact CG2-CB 3.77Å; T320-C331 VanDerWaalsContact CG2-SG 3.58Å; T320-W413 PolarHBondContact N-O 2.9Å; T320-W413 PolarHBondContact O-N 3.32Å; T320-W413 PolarHBondContact OG1-O 2.85Å; T320-N415 PolarHBondContact OG1-ND2 2.98Å
321R93.9Very high88Confident75 Ų7550.5 Ų50.528%0.28325%0.246SC..EExtended strand (participates in β ladder)trans-110.6122.7167.9-172.6-166.4-175.6-136-0.1107.5I329 Y330 E408 N410 I411R321-I329 HydrophobicContact CG-CD1 4.39Å; R321-I329 WeakPolarHBondContact O-CB 3.28Å; R321-I329 PolarHBondContact O-N 2.79Å; R321-Y330 HydrophobicContact CB-CD1 4.34Å; R321-Y330 PolarHBondContact N-O 2.84Å; R321-Y330 PolarHBondContact O-N 2.92Å; R321-Y330 VanDerWaalsContact O-N 3.14Å; R321-E408 IonicContact CZ-OE1 3.13Å; R321-E408 IonicContact NH1-OE1 2.72Å; R321-E408 IonicContact NH2-OE1 2.69Å; R321-E408 PolarHBondContact NH2-OE1 3.39Å; R321-N410 HydrophobicContact CG-CB 4.31Å; R321-N410 PolarHBondContact NE-OD1 2.93Å; R321-N410 PolarHBondContact NH2-ND2 3.16Å; R321-N410 PolarHBondContact NH2-OD1 2.6Å; R321-I411 WeakPolarHBondContact CA-O 3.42Å
322V95.8Very high89.5Confident0 Ų049.8 Ų49.80%024%0.24CC..EExtended strand (participates in β ladder)trans-126155.3-173.8-47.50000111.3L326 N327 I328 I411V322-L326 HydrophobicContact CG2-CD2 3.73Å; V322-N327 CarbonylContact C-O 3.59Å; V322-N327 WeakPolarHBondContact CA-O 3.41Å; V322-N327 WeakPolarHBondContact CB-O 3.42Å; V322-I328 HydrophobicContact CG1-CB 4.45Å; V322-I328 HydrophobicContact CG1-CG1 4Å; V322-I411 HydrophobicContact CG2-CB 3.62Å; V322-I411 HydrophobicContact CG2-CD1 4.48Å; V322-I411 HydrophobicContact CG2-CG2 3.7Å; V322-I411 PolarHBondContact N-O 2.9Å; V322-I411 PolarHBondContact O-N 2.96Å
323N95.8Very high90.9Very high68 Ų6848.5 Ų48.536%0.36424%0.244SC..  trans-72.3172.3171.7-87.9-25.4000111.2D325 L326 N327 I329N323-D325 WeakPolarHBondContact CB-OD1 3.48Å; N323-D325 PolarHBondContact O-N 3.48Å; N323-L326 WeakPolarHBondContact O-CA 3.35Å; N323-L326 PolarHBondContact O-N 3.1Å; N323-N327 HydrophobicContact CB-CB 4.19Å; N323-N327 PolarHBondContact N-O 3.19Å; N323-I329 HydrophobicContact CB-CD1 4.49Å; N323-I329 WeakPolarHBondContact OD1-CD1 3.28Å
324M95Very high91.9Very high65 Ų6549.7 Ų49.732%0.3225%0.246SC..THydrogen-bonded Turntrans-64.1-4.6177.4-60.4-58.4-61.500114.7H367 L371 I399 K409 I411M324-H367 PolarHBondContact O-NE2 2.91Å; M324-L371 HydrophobicContact CE-CD2 3.4Å; M324-I399 HydrophobicContact CE-CD1 3.82Å; M324-I399 HydrophobicContact CE-CG1 4.37Å; M324-I399 HydrophobicContact SD-CG2 4.44Å; M324-K409 HydrophobicContact CG-CB 4.32Å; M324-K409 HydrophobicContact SD-CB 3.8Å; M324-I411 HydrophobicContact SD-CD1 4.23Å; M324-I411 HydrophobicContact SD-CG1 4.18Å
325D96.3Very high92.9Very high61 Ų6144.6 Ų44.633%0.32622%0.218SC..THydrogen-bonded Turntrans-108.98.6173.472.7-33.6000112.9N323 N327 R350N323-D325 WeakPolarHBondContact CB-OD1 3.48Å; N323-D325 PolarHBondContact O-N 3.48Å; D325-N327 VanDerWaalsContact C-N 3.32Å; D325-N327 PolarHBondContact O-N 3.3Å; D325-N327 WeakPolarHBondContact OD1-CB 3.42Å; D325-N327 PolarHBondContact OD1-N 3.46Å; D325-R350 WeakPolarHBondContact OD2-CD 3.29Å
326L97.4Very high94.4Very high0 Ų043.2 Ų43.20%021%0.21CC..  trans61.724.7-168.6-49.9-177.5000115.2V322 N323 R350 C351 Y352 I363 H367 I411 W413V322-L326 HydrophobicContact CG2-CD2 3.73Å; N323-L326 WeakPolarHBondContact O-CA 3.35Å; N323-L326 PolarHBondContact O-N 3.1Å; L326-R350 CarbonylContact O-C 3.51Å; L326-R350 VanDerWaalsContact O-CA 3.31Å; L326-R350 WeakPolarHBondContact O-CA 3.32Å; L326-C351 HydrophobicContact CB-CB 4.09Å; L326-C351 PolarHBondContact O-N 3.43Å; L326-C351 PolarHBondContact O-SG 2.9Å; L326-Y352 HydrophobicContact CB-CE2 4.42Å; L326-Y352 HydrophobicContact CD1-CE2 3.89Å; L326-Y352 HydrophobicContact CG-CE2 4.39Å; L326-I363 HydrophobicContact CD1-CG2 4.41Å; L326-H367 HydrophobicContact CD1-CB 4.23Å; L326-I411 HydrophobicContact CD2-CD1 4.05Å; L326-W413 HydrophobicContact CD1-CH2 4.4Å; L326-W413 HydrophobicContact CD1-CZ3 4.33Å; L326-W413 HydrophobicContact CD2-CE3 4.03Å; L326-W413 HydrophobicContact CD2-CZ3 3.83Å
327N97.8Very high94.7Very high43 Ų4344 Ų4423%0.2322%0.217CC..BIsolated β-bridgetrans-70.5125.4166.5-167-10.9000111.3V322 N323 D325 I329 G348 K349 R350V322-N327 CarbonylContact C-O 3.59Å; V322-N327 WeakPolarHBondContact CA-O 3.41Å; V322-N327 WeakPolarHBondContact CB-O 3.42Å; N323-N327 HydrophobicContact CB-CB 4.19Å; N323-N327 PolarHBondContact N-O 3.19Å; D325-N327 VanDerWaalsContact C-N 3.32Å; D325-N327 PolarHBondContact O-N 3.3Å; D325-N327 WeakPolarHBondContact OD1-CB 3.42Å; D325-N327 PolarHBondContact OD1-N 3.46Å; N327-I329 PolarHBondContact O-N 3.42Å; N327-G348 WeakPolarHBondContact OD1-CA 3.23Å; N327-G348 PolarHBondContact OD1-O 2.94Å; N327-K349 PolarHBondContact OD1-N 3.46Å; N327-K349 PolarHBondContact OD1-O 3.3Å; N327-R350 HydrophobicContact CB-CG 3.91Å
328I97.8Very high94.8Very high0 Ų045 Ų450%022%0.221CC..EExtended strand (participates in β ladder)trans-76.6110.2-173.7-58.4168.8000110T320 V322 I346 V347 G348 K349 F354 W383T320-I328 HydrophobicContact CG2-CG2 4.36Å; V322-I328 HydrophobicContact CG1-CB 4.45Å; V322-I328 HydrophobicContact CG1-CG1 4Å; I328-I346 HydrophobicContact CD1-CB 4.21Å; I328-I346 HydrophobicContact CD1-CD1 4.28Å; I328-I346 HydrophobicContact CD1-CG1 4.5Å; I328-V347 HydrophobicContact CG2-CG2 4.09Å; I328-V347 WeakPolarHBondContact O-CA 3.34Å; I328-G348 PolarHBondContact O-N 3.44Å; I328-K349 WeakPolarHBondContact CB-O 3.32Å; I328-K349 WeakPolarHBondContact CG1-O 3.28Å; I328-K349 PolarHBondContact N-O 3.47Å; I328-F354 HydrophobicContact CD1-CD2 4.28Å; I328-F354 HydrophobicContact CD1-CE2 4.11Å; I328-W383 HydrophobicContact CD1-CH2 4.27Å; I328-W383 HydrophobicContact CD1-CZ2 4.34Å
329I96.1Very high94.9Very high64 Ų6445.5 Ų45.533%0.32822%0.223SC..EExtended strand (participates in β ladder)trans-85.1-35.3178.4-40.4170.1000110.5R321 N323 N327R321-I329 HydrophobicContact CG-CD1 4.39Å; R321-I329 WeakPolarHBondContact O-CB 3.28Å; R321-I329 PolarHBondContact O-N 2.79Å; N323-I329 HydrophobicContact CB-CD1 4.49Å; N323-I329 WeakPolarHBondContact OD1-CD1 3.28Å; N327-I329 PolarHBondContact O-N 3.42Å
330Y95.6Very high94.9Very high122 Ų12248.8 Ų48.848%0.47824%0.24SC..EExtended strand (participates in β ladder)trans-154.2147-175.8165.9-90.8000110.9T320 R321 E332T320-Y330 CarbonylContact C-O 3.12Å; T320-Y330 WeakPolarHBondContact CA-O 3.22Å; R321-Y330 HydrophobicContact CB-CD1 4.34Å; R321-Y330 PolarHBondContact N-O 2.84Å; R321-Y330 PolarHBondContact O-N 2.92Å; R321-Y330 VanDerWaalsContact O-N 3.14Å; Y330-E332 HydrophobicContact CE1-CG 4.09Å
331C95.9Very high94.9Very high3 Ų349.2 Ų49.22%0.0224%0.242CC..EExtended strand (participates in β ladder)trans-136.8144.9168.5-1740000109.6T320 P343 I346T320-C331 HydrophobicContact CG2-CB 3.77Å; T320-C331 VanDerWaalsContact CG2-SG 3.58Å; C331-P343 HydrophobicContact CB-CB 4.09Å; C331-P343 HydrophobicContact CB-CG 4.35Å; C331-I346 HydrophobicContact CB-CD1 3.81Å; C331-I346 HydrophobicContact CB-CG1 4.4Å
332E93.1Very high95Very high33 Ų3348.3 Ų48.315%0.15425%0.245CC..  trans-65.5142.7167.7-66.8-176.2132.200111.7I313 F318 V319 Y330 R334 I335I313-E332 WeakPolarHBondContact CD1-OE1 3.36Å; F318-E332 WeakPolarHBondContact CA-OE2 3.34Å; V319-E332 HydrophobicContact CB-CG 4.19Å; V319-E332 PolarHBondContact N-OE2 2.75Å; V319-E332 PolarHBondContact O-N 3.5Å; V319-E332 VanDerWaalsContact O-N 3.1Å; Y330-E332 HydrophobicContact CE1-CG 4.09Å; E332-R334 PolarHBondContact O-N 3.3Å; E332-I335 WeakPolarHBondContact O-CG2 3.36Å; E332-I335 PolarHBondContact O-N 3.13Å
333N94.2Very high95Very high125 Ų12549.2 Ų49.267%0.66825%0.252SS*.G310 helixtrans-58.1-23178.3-65-1.6000113.9I335 S336N333-I335 PolarHBondContact O-N 3.45Å; N333-I335 VanDerWaalsContact O-N 3.11Å; N333-S336 WeakPolarHBondContact O-CB 3.37Å; N333-S336 PolarHBondContact O-N 2.81Å; N333-S336 VanDerWaalsContact O-N 3.09Å; N333-S336 PolarHBondContact O-OG 3.24Å
334R91.4Very high95Very high71 Ų7152.2 Ų52.227%0.26827%0.272SS..G310 helixtrans-60.2-16.7-179.6-150.3-166.8-53-164.71.4113.7I313 D314 M317 E332 S336 D337 Y338I313-R334 PolarHBondContact O-NH1 2.84Å; D314-R334 PolarHBondContact O-NH1 3.45Å; M317-R334 WeakPolarHBondContact O-CD 3.32Å; E332-R334 PolarHBondContact O-N 3.3Å; R334-S336 PolarHBondContact O-N 3.1Å; R334-D337 WeakPolarHBondContact CG-OD2 3.27Å; R334-D337 WeakPolarHBondContact O-CB 3.46Å; R334-D337 PolarHBondContact O-N 3.02Å; R334-Y338 WeakPolarHBondContact CD-OH 3.18Å; R334-Y338 HydrophobicContact CG-CE2 4.01Å; R334-Y338 WeakPolarHBondContact O-CD2 3.25Å
335I94.3Very high95Very high0 Ų050.8 Ų50.80%027%0.266CS..G310 helixtrans-53.6-35.3170.4-170172.6000112F318 E332 N333 D337 Y338 M339 P343 I346F318-I335 HydrophobicContact CD2-CB 4.18Å; F318-I335 HydrophobicContact CD2-CG1 4.43Å; F318-I335 HydrophobicContact CE2-CB 4.4Å; F318-I335 HydrophobicContact CE2-CD1 3.96Å; F318-I335 HydrophobicContact CE2-CG1 4.17Å; F318-I335 HydrophobicContact CG-CB 4.5Å; F318-I335 HydrophobicContact CZ-CD1 4.27Å; F318-I335 HydrophobicContact CZ-CG1 4.33Å; E332-I335 WeakPolarHBondContact O-CG2 3.36Å; E332-I335 PolarHBondContact O-N 3.13Å; N333-I335 PolarHBondContact O-N 3.45Å; N333-I335 VanDerWaalsContact O-N 3.11Å; I335-D337 PolarHBondContact O-N 3.38Å; I335-Y338 CarbonylContact O-C 3.54Å; I335-Y338 PolarHBondContact O-N 3.49Å; I335-M339 HydrophobicContact CD1-CE 3.84Å; I335-M339 HydrophobicContact CD1-SD 4.08Å; I335-M339 HydrophobicContact CG1-CB 4.09Å; I335-M339 HydrophobicContact CG1-CE 3.87Å; I335-M339 HydrophobicContact CG1-CG 3.89Å; I335-M339 HydrophobicContact CG1-SD 4.08Å; I335-M339 PolarHBondContact O-N 3.29Å; I335-P343 HydrophobicContact CG2-CG 3.87Å; I335-I346 HydrophobicContact CD1-CD1 3.5Å; I335-I346 VanDerWaalsContact CD1-CD1 3.5Å
336S94.6Very high95Very high56 Ų5647.9 Ų47.939%0.39225%0.25SS..G310 helixtrans-68.8-14.2179.5-28.30000113.7N333 R334 Y338N333-S336 WeakPolarHBondContact O-CB 3.37Å; N333-S336 PolarHBondContact O-N 2.81Å; N333-S336 VanDerWaalsContact O-N 3.09Å; N333-S336 PolarHBondContact O-OG 3.24Å; R334-S336 PolarHBondContact O-N 3.1Å; S336-Y338 VanDerWaalsContact C-N 3.27Å
337D93.3Very high95Very high117 Ų11751 Ų5163%0.62627%0.269SS*.G310 helixtrans-81.1-13173.4-56.6-23.6000111.5R334 I335R334-D337 WeakPolarHBondContact CG-OD2 3.27Å; R334-D337 WeakPolarHBondContact O-CB 3.46Å; R334-D337 PolarHBondContact O-N 3.02Å; I335-D337 PolarHBondContact O-N 3.38Å
338Y92.6Very high95Very high39 Ų3951.4 Ų51.415%0.15328%0.284CS..THydrogen-bonded Turntrans-128.7-18.1-167.5-56.2-35.2000114.1H316 F318 R334 I335 S336 L417H316-Y338 PolarHBondContact N-OH 3.43Å; F318-Y338 HydrophobicContact CD1-CD2 4.2Å; R334-Y338 WeakPolarHBondContact CD-OH 3.18Å; R334-Y338 HydrophobicContact CG-CE2 4.01Å; R334-Y338 WeakPolarHBondContact O-CD2 3.25Å; I335-Y338 CarbonylContact O-C 3.54Å; I335-Y338 PolarHBondContact O-N 3.49Å; S336-Y338 VanDerWaalsContact C-N 3.27Å; Y338-L417 HydrophobicContact CD1-CD2 4.05Å; Y338-L417 HydrophobicContact CD2-CD1 4.16Å; Y338-L417 HydrophobicContact CD2-CD2 4.49Å; Y338-L417 HydrophobicContact CG-CD1 4.17Å; Y338-L417 HydrophobicContact CG-CD2 3.84Å
339M94.8Very high94.9Very high10 Ų1056.1 Ų56.15%0.04930%0.304CS..SBendtrans-138.8156.9-174.1-59.6-149.9-147.700112.5F318 I335 L341 W383 Q385 I391 I393F318-M339 HydrophobicContact CE1-CE 3.64Å; F318-M339 HydrophobicContact CE2-CE 4.33Å; F318-M339 HydrophobicContact CZ-CE 3.35Å; I335-M339 HydrophobicContact CD1-CE 3.84Å; I335-M339 HydrophobicContact CD1-SD 4.08Å; I335-M339 HydrophobicContact CG1-CB 4.09Å; I335-M339 HydrophobicContact CG1-CE 3.87Å; I335-M339 HydrophobicContact CG1-CG 3.89Å; I335-M339 HydrophobicContact CG1-SD 4.08Å; I335-M339 PolarHBondContact O-N 3.29Å; M339-L341 HydrophobicContact CB-CB 4.23Å; M339-L341 PolarHBondContact O-N 3.31Å; M339-L341 HydrophobicContact SD-CD1 4.37Å; M339-W383 HydrophobicContact CE-CD2 4.03Å; M339-W383 HydrophobicContact CE-CG 3.97Å; M339-W383 VanDerWaalsContact SD-CD1 3.6Å; M339-W383 HydrophobicContact SD-CG 4.18Å; M339-Q385 PolarHBondContact SD-NE2 2.72Å; M339-Q385 VanDerWaalsContact SD-NE2 3.36Å; M339-I391 HydrophobicContact CE-CD1 3.93Å; M339-I391 HydrophobicContact CG-CD1 3.83Å; M339-I391 HydrophobicContact SD-CD1 4.06Å; M339-I393 HydrophobicContact CE-CD1 3.78Å
340D92.9Very high95Very high72 Ų7259 Ų5939%0.38531%0.311SS..SBendtrans-73.412.9169.3-64.7-9.9000112.9K386 N387D340-K386 HydrophobicContact CB-CB 3.73Å; D340-K386 VanDerWaalsContact O-CB 3.27Å; D340-K386 WeakPolarHBondContact O-CB 3.43Å; D340-K386 VanDerWaalsContact O-CD 3.23Å; D340-K386 WeakPolarHBondContact O-CD 3.47Å; D340-N387 VanDerWaalsContact CG-ND2 3.33Å; D340-N387 PolarHBondContact OD2-ND2 2.89Å
341L93.9Very high95.1Very high9 Ų953.1 Ų53.15%0.04729%0.288CS..  trans-122.1131-173.7-69.1168.5000110.1M339 D345 I346 F354 K386M339-L341 HydrophobicContact CB-CB 4.23Å; M339-L341 PolarHBondContact O-N 3.31Å; M339-L341 HydrophobicContact SD-CD1 4.37Å; L341-D345 HydrophobicContact CD2-CB 3.77Å; L341-I346 HydrophobicContact CB-CG2 4.13Å; L341-I346 HydrophobicContact CD1-CG2 4.1Å; L341-I346 HydrophobicContact CD2-CG2 4.33Å; L341-I346 HydrophobicContact CG-CG2 4.43Å; L341-F354 HydrophobicContact CD1-CD1 4.18Å; L341-F354 HydrophobicContact CD1-CE1 4.22Å; L341-K386 HydrophobicContact CD2-CB 3.79Å; L341-K386 HydrophobicContact CD2-CD 4.29Å; L341-K386 HydrophobicContact CD2-CG 4.2Å; L341-K386 HydrophobicContact CG-CB 4.18Å
342T96.1Very high95.2Very high56 Ų5656 Ų5634%0.34430%0.299SS..  trans-92.5167.3170.674.90000110.6V344 D345T342-V344 PolarHBondContact O-N 2.89Å; T342-V344 VanDerWaalsContact O-N 3.13Å; T342-V344 PolarHBondContact OG1-N 3.32Å; T342-D345 WeakPolarHBondContact CB-OD2 3.47Å; T342-D345 PolarHBondContact N-OD2 2.89Å; T342-D345 PolarHBondContact O-N 2.75Å; T342-D345 PolarHBondContact OG1-OD2 3.31Å
343P96.9Very high95.3Very high20 Ų2059 Ų5913%0.1331%0.313CS..Hα-helixtrans-54.2-30.9171.5-28.337.3000113.8C331 I335 D345 I346 V347C331-P343 HydrophobicContact CB-CB 4.09Å; C331-P343 HydrophobicContact CB-CG 4.35Å; I335-P343 HydrophobicContact CG2-CG 3.87Å; P343-D345 VanDerWaalsContact C-N 3.34Å; P343-I346 PolarHBondContact O-N 3.36Å; P343-V347 WeakPolarHBondContact O-CB 3.17Å; P343-V347 VanDerWaalsContact O-CG2 3.24Å; P343-V347 WeakPolarHBondContact O-CG2 3.45Å; P343-V347 PolarHBondContact O-N 2.92Å
344V95.9Very high95.5Very high131 Ų13153.9 Ų53.979%0.79428%0.284SS*.Hα-helixtrans-70.9-30.6179.9-174.40000111.6T342 I346T342-V344 PolarHBondContact O-N 2.89Å; T342-V344 VanDerWaalsContact O-N 3.13Å; T342-V344 PolarHBondContact OG1-N 3.32Å; V344-I346 VanDerWaalsContact C-N 3.27Å; V344-I346 PolarHBondContact O-N 3.44Å
345D94.9Very high95.8Very high35 Ų3550.7 Ų50.719%0.18727%0.272CS..Hα-helixtrans-71.6-21177.3-61.9-86.5000113L341 T342 P343 K349 K386L341-D345 HydrophobicContact CD2-CB 3.77Å; T342-D345 WeakPolarHBondContact CB-OD2 3.47Å; T342-D345 PolarHBondContact N-OD2 2.89Å; T342-D345 PolarHBondContact O-N 2.75Å; T342-D345 PolarHBondContact OG1-OD2 3.31Å; P343-D345 VanDerWaalsContact C-N 3.34Å; D345-K349 WeakPolarHBondContact O-CD 3.49Å; D345-K349 WeakPolarHBondContact O-CE 3.31Å; D345-K349 PolarHBondContact O-NZ 3.42Å; D345-K386 IonicContact OD1-NZ 3.3Å; D345-K386 PolarHBondContact OD1-NZ 3.21Å; D345-K386 IonicContact OD2-NZ 2.7Å
346I96.2Very high96Very high0 Ų052.2 Ų52.20%028%0.28CS..Hα-helixtrans-119.5-26.2-168.169.7166.3000115.7I328 C331 I335 L341 P343 V344 K349 F354I328-I346 HydrophobicContact CD1-CB 4.21Å; I328-I346 HydrophobicContact CD1-CD1 4.28Å; I328-I346 HydrophobicContact CD1-CG1 4.5Å; C331-I346 HydrophobicContact CB-CD1 3.81Å; C331-I346 HydrophobicContact CB-CG1 4.4Å; I335-I346 HydrophobicContact CD1-CD1 3.5Å; I335-I346 VanDerWaalsContact CD1-CD1 3.5Å; L341-I346 HydrophobicContact CB-CG2 4.13Å; L341-I346 HydrophobicContact CD1-CG2 4.1Å; L341-I346 HydrophobicContact CD2-CG2 4.33Å; L341-I346 HydrophobicContact CG-CG2 4.43Å; P343-I346 PolarHBondContact O-N 3.36Å; V344-I346 VanDerWaalsContact C-N 3.27Å; V344-I346 PolarHBondContact O-N 3.44Å; I346-K349 WeakPolarHBondContact O-CB 3.32Å; I346-K349 PolarHBondContact O-N 3.32Å; I346-F354 HydrophobicContact CB-CE2 3.89Å; I346-F354 HydrophobicContact CB-CZ 3.8Å; I346-F354 HydrophobicContact CG2-CE1 3.89Å; I346-F354 HydrophobicContact CG2-CE2 3.96Å; I346-F354 HydrophobicContact CG2-CZ 3.5Å; I346-F354 VanDerWaalsContact CG2-CZ 3.5Å
347V97.7Very high96.2Very high64 Ų6453.5 Ų53.539%0.38829%0.294SS..THydrogen-bonded Turntrans-65.3139.9177.4166.60000110.3I328 P343 K349I328-V347 HydrophobicContact CG2-CG2 4.09Å; I328-V347 WeakPolarHBondContact O-CA 3.34Å; P343-V347 WeakPolarHBondContact O-CB 3.17Å; P343-V347 VanDerWaalsContact O-CG2 3.24Å; P343-V347 WeakPolarHBondContact O-CG2 3.45Å; P343-V347 PolarHBondContact O-N 2.92Å; V347-K349 VanDerWaalsContact C-N 3.28Å; V347-K349 PolarHBondContact O-N 2.88Å
348G96.4Very high96.4Very high53 Ų5354.6 Ų54.655%0.54630%0.295SS..THydrogen-bonded Turntrans83.3-7.1-173.600000114.9N327 I328N327-G348 WeakPolarHBondContact OD1-CA 3.23Å; N327-G348 PolarHBondContact OD1-O 2.94Å; I328-G348 PolarHBondContact O-N 3.44Å
349K97Very high96.7Very high99 Ų9953.9 Ų53.943%0.4329%0.294SS..SBendtrans-102147.2173.8-64.9167.9-178.3169.80110.8N327 I328 D345 I346 V347 F354N327-K349 PolarHBondContact OD1-N 3.46Å; N327-K349 PolarHBondContact OD1-O 3.3Å; I328-K349 WeakPolarHBondContact CB-O 3.32Å; I328-K349 WeakPolarHBondContact CG1-O 3.28Å; I328-K349 PolarHBondContact N-O 3.47Å; D345-K349 WeakPolarHBondContact O-CD 3.49Å; D345-K349 WeakPolarHBondContact O-CE 3.31Å; D345-K349 PolarHBondContact O-NZ 3.42Å; I346-K349 WeakPolarHBondContact O-CB 3.32Å; I346-K349 PolarHBondContact O-N 3.32Å; V347-K349 VanDerWaalsContact C-N 3.28Å; V347-K349 PolarHBondContact O-N 2.88Å; K349-F354 HydrophobicContact CB-CE2 3.9Å; K349-F354 HydrophobicContact CB-CZ 4.22Å; K349-F354 HydrophobicContact CD-CE2 4.23Å; K349-F354 HydrophobicContact CD-CZ 3.67Å
350R97.2Very high96.8Very high123 Ų12355.6 Ų55.646%0.46431%0.305SS..BIsolated β-bridgetrans-73.3142170.6-64.1179.4-69.2-149.5-1.1111.5D325 L326 N327 Y352 H353D325-R350 WeakPolarHBondContact OD2-CD 3.29Å; L326-R350 CarbonylContact O-C 3.51Å; L326-R350 VanDerWaalsContact O-CA 3.31Å; L326-R350 WeakPolarHBondContact O-CA 3.32Å; N327-R350 HydrophobicContact CB-CG 3.91Å; R350-Y352 PolarHBondContact O-N 2.8Å; R350-H353 PolarHBondContact N-ND1 2.77Å; R350-H353 PolarHBondContact O-N 2.95Å; R350-H353 VanDerWaalsContact O-N 3.08Å; R350-H353 PolarHBondContact O-ND1 3.4Å
351C97.7Very high97Very high0 Ų057.2 Ų57.20%031%0.31CS..G310 helixtrans-52.3-31.2178.3-65.50000113.4L326 H353 F354 I355L326-C351 HydrophobicContact CB-CB 4.09Å; L326-C351 PolarHBondContact O-N 3.43Å; L326-C351 PolarHBondContact O-SG 2.9Å; C351-H353 PolarHBondContact O-N 2.84Å; C351-H353 VanDerWaalsContact O-N 3.13Å; C351-F354 PolarHBondContact O-N 3.41Å; C351-I355 HydrophobicContact CB-CD1 4.19Å; C351-I355 WeakPolarHBondContact O-CG1 3.31Å; C351-I355 PolarHBondContact O-N 2.87Å
352Y98.1Very high97.2Very high63 Ų6357.7 Ų57.725%0.24732%0.318CS..G310 helixtrans-57.9-22.3178.1-66-69.4000115.1L326 R350 F354 I355 V360 I363 H367L326-Y352 HydrophobicContact CB-CE2 4.42Å; L326-Y352 HydrophobicContact CD1-CE2 3.89Å; L326-Y352 HydrophobicContact CG-CE2 4.39Å; R350-Y352 PolarHBondContact O-N 2.8Å; Y352-F354 PolarHBondContact O-N 3.05Å; Y352-I355 HydrophobicContact CD1-CD1 4.2Å; Y352-V360 HydrophobicContact CD1-CG1 4.08Å; Y352-V360 HydrophobicContact CE1-CG1 4.45Å; Y352-I363 HydrophobicContact CE1-CG2 4.29Å; Y352-H367 PolarHBondContact OH-ND1 3.23Å; Y352-H367 VanDerWaalsContact OH-ND1 3.12Å
353H96.4Very high97.3Very high96 Ų9655.1 Ų55.144%0.44430%0.302SS..G310 helixtrans-75.7-12.1173.9-49.499.1000113.3R350 C351 M384R350-H353 PolarHBondContact N-ND1 2.77Å; R350-H353 PolarHBondContact O-N 2.95Å; R350-H353 VanDerWaalsContact O-N 3.08Å; R350-H353 PolarHBondContact O-ND1 3.4Å; C351-H353 PolarHBondContact O-N 2.84Å; C351-H353 VanDerWaalsContact O-N 3.13Å; H353-M384 WeakPolarHBondContact O-CE 3.43Å
354F97.3Very high97.3Very high17 Ų1760 Ų608%0.07532%0.317CS..THydrogen-bonded Turntrans-112.8-9.6-177.9-58.2-69000113.4I328 L341 I346 K349 C351 Y352 W383 M384I328-F354 HydrophobicContact CD1-CD2 4.28Å; I328-F354 HydrophobicContact CD1-CE2 4.11Å; L341-F354 HydrophobicContact CD1-CD1 4.18Å; L341-F354 HydrophobicContact CD1-CE1 4.22Å; I346-F354 HydrophobicContact CB-CE2 3.89Å; I346-F354 HydrophobicContact CB-CZ 3.8Å; I346-F354 HydrophobicContact CG2-CE1 3.89Å; I346-F354 HydrophobicContact CG2-CE2 3.96Å; I346-F354 HydrophobicContact CG2-CZ 3.5Å; I346-F354 VanDerWaalsContact CG2-CZ 3.5Å; K349-F354 HydrophobicContact CB-CE2 3.9Å; K349-F354 HydrophobicContact CB-CZ 4.22Å; K349-F354 HydrophobicContact CD-CE2 4.23Å; K349-F354 HydrophobicContact CD-CZ 3.67Å; C351-F354 PolarHBondContact O-N 3.41Å; Y352-F354 PolarHBondContact O-N 3.05Å; F354-W383 HydrophobicContact CB-CD2 4.22Å; F354-W383 HydrophobicContact CB-CG 4.34Å; F354-W383 HydrophobicContact CB-CZ2 4.08Å; F354-W383 HydrophobicContact CD2-CZ2 4.04Å; F354-W383 HydrophobicContact CG-CZ2 4.17Å; F354-W383 AromaticContact CG-NE1 3.77Å; F354-W383 CarbonylContact O-C 3.55Å; F354-W383 WeakPolarHBondContact O-CA 3.31Å; F354-M384 PolarHBondContact O-N 2.97Å
355I98.2Very high97.4Very high4 Ų458.6 Ų58.62%0.02130%0.302CS..BIsolated β-bridgetrans-85.7127.4179.7-66.3156.6000108.3C351 Y352 A357 D359 V360 I363 Y381C351-I355 HydrophobicContact CB-CD1 4.19Å; C351-I355 WeakPolarHBondContact O-CG1 3.31Å; C351-I355 PolarHBondContact O-N 2.87Å; Y352-I355 HydrophobicContact CD1-CD1 4.2Å; I355-A357 PolarHBondContact O-N 3.26Å; I355-D359 HydrophobicContact CG2-CB 3.88Å; I355-V360 HydrophobicContact CB-CG2 4.27Å; I355-V360 HydrophobicContact CG2-CG2 3.87Å; I355-I363 HydrophobicContact CD1-CB 3.97Å; I355-I363 HydrophobicContact CD1-CG1 3.96Å; I355-I363 HydrophobicContact CD1-CG2 3.64Å; I355-I363 HydrophobicContact CG1-CG1 4.42Å; I355-I363 HydrophobicContact CG2-CG1 4.04Å; I355-Y381 HydrophobicContact CG1-CD2 4.06Å; I355-Y381 HydrophobicContact CG1-CE2 3.95Å; I355-Y381 HydrophobicContact CG2-CD2 4.42Å
356H98.3Very high97.5Very high32 Ų3257.2 Ų57.215%0.14830%0.295CS..  trans-55.2135.3175.5-178.5-97.5000111E358 D359 V360 R382 M384H356-E358 VanDerWaalsContact C-N 3.26Å; H356-E358 IonicContact CE1-OE2 2.64Å; H356-E358 PolarHBondContact O-N 3.47Å; H356-D359 PolarHBondContact O-N 2.99Å; H356-V360 PolarHBondContact O-N 3.16Å; H356-R382 HydrophobicContact CB-CB 3.65Å; H356-R382 PolarHBondContact CE1-NH1 3.44Å; H356-R382 VanDerWaalsContact CE1-NH1 3.33Å; H356-R382 PolarHBondContact N-O 3.43Å; H356-R382 VanDerWaalsContact ND1-CZ 3.26Å; H356-R382 PolarHBondContact ND1-NH1 3.25Å; H356-R382 PolarHBondContact ND1-NH2 3.01Å; H356-M384 HydrophobicContact CB-CG 4.37Å
357A97.6Very high97.6Very high84 Ų8458.2 Ų58.269%0.69430%0.3SS*.G310 helixtrans-52.2-38.6-166.100000114.7I355 D359 V360I355-A357 PolarHBondContact O-N 3.26Å; A357-D359 VanDerWaalsContact C-N 3.3Å; A357-D359 PolarHBondContact O-N 3.25Å; A357-V360 WeakPolarHBondContact O-CB 3.26Å; A357-V360 PolarHBondContact O-N 2.73Å
358E98Very high97.6Very high140 Ų14059 Ų5965%0.65430%0.302SS*.G310 helixtrans-64.6-28.7177.7-174.7179.9-156.400113.5H356 R382H356-E358 VanDerWaalsContact C-N 3.26Å; H356-E358 IonicContact CE1-OE2 2.64Å; H356-E358 PolarHBondContact O-N 3.47Å; E358-R382 IonicContact OE2-CZ 2.71Å; E358-R382 IonicContact OE2-NH1 2.71Å; E358-R382 PolarHBondContact OE2-NH1 3.21Å; E358-R382 IonicContact OE2-NH2 3.21Å; E358-R382 PolarHBondContact OE2-NH2 3.16Å
359D98.4Very high97.5Very high24 Ų2457.3 Ų57.313%0.12828%0.28CS..G310 helixtrans-89-13-178.8-60.7-31.3000113.2I355 H356 A357 E361 G362 I363 R382I355-D359 HydrophobicContact CG2-CB 3.88Å; H356-D359 PolarHBondContact O-N 2.99Å; A357-D359 VanDerWaalsContact C-N 3.3Å; A357-D359 PolarHBondContact O-N 3.25Å; D359-E361 VanDerWaalsContact C-N 3.3Å; D359-E361 PolarHBondContact O-N 3.41Å; D359-G362 WeakPolarHBondContact O-CA 3.48Å; D359-G362 PolarHBondContact O-N 3.01Å; D359-I363 PolarHBondContact O-N 3.03Å; D359-R382 VanDerWaalsContact CG-NH2 3.31Å; D359-R382 IonicContact OD1-CZ 2.74Å; D359-R382 IonicContact OD1-NE 3.57Å; D359-R382 IonicContact OD1-NH2 3.58Å; D359-R382 PolarHBondContact OD1-NH2 3.45Å; D359-R382 WeakPolarHBondContact OD2-CB 3.2Å; D359-R382 IonicContact OD2-CZ 3.2Å; D359-R382 PolarHBondContact OD2-N 3.07Å; D359-R382 IonicContact OD2-NE 2.72Å; D359-R382 PolarHBondContact OD2-NE 3.27Å; D359-R382 IonicContact OD2-NH2 3.53Å; D359-R382 PolarHBondContact OD2-NH2 3.12Å
360V97.8Very high97.5Very high46 Ų4652.6 Ų52.628%0.27926%0.259SS..Hα-helixtrans-56.3-41.9-172.7170.60000112.1Y352 I355 H356 A357 G362 I363 R364Y352-V360 HydrophobicContact CD1-CG1 4.08Å; Y352-V360 HydrophobicContact CE1-CG1 4.45Å; I355-V360 HydrophobicContact CB-CG2 4.27Å; I355-V360 HydrophobicContact CG2-CG2 3.87Å; H356-V360 PolarHBondContact O-N 3.16Å; A357-V360 WeakPolarHBondContact O-CB 3.26Å; A357-V360 PolarHBondContact O-N 2.73Å; V360-G362 PolarHBondContact O-N 3.17Å; V360-I363 PolarHBondContact O-N 2.87Å; V360-R364 WeakPolarHBondContact O-CB 3.17Å; V360-R364 PolarHBondContact O-N 3.29Å
361E97.5Very high97.3Very high105 Ų10550.2 Ų50.249%0.49126%0.255SS..Hα-helixtrans-67.1-36177.818056-158.600112.2D359 I363 R364 H365D359-E361 VanDerWaalsContact C-N 3.3Å; D359-E361 PolarHBondContact O-N 3.41Å; E361-I363 VanDerWaalsContact C-N 3.35Å; E361-I363 PolarHBondContact O-N 2.88Å; E361-R364 PolarHBondContact O-N 3.49Å; E361-R364 IonicContact OE1-CZ 2.72Å; E361-R364 IonicContact OE1-NE 3.54Å; E361-R364 IonicContact OE1-NH2 3.83Å; E361-R364 PolarHBondContact OE1-NH2 3.1Å; E361-R364 IonicContact OE2-CZ 3.4Å; E361-R364 IonicContact OE2-NE 3.43Å; E361-R364 PolarHBondContact OE2-NE 3.13Å; E361-R364 IonicContact OE2-NH2 2.79Å; E361-R364 PolarHBondContact OE2-NH2 3.12Å; E361-H365 WeakPolarHBondContact O-CB 3.48Å; E361-H365 PolarHBondContact O-N 3.01Å
362G96.7Very high97.1Very high20 Ų2054.7 Ų54.721%0.20628%0.279CS..Hα-helixtrans-64.1-38.5174.200000112.7D359 V360 S366D359-G362 WeakPolarHBondContact O-CA 3.48Å; D359-G362 PolarHBondContact O-N 3.01Å; V360-G362 PolarHBondContact O-N 3.17Å; G362-S366 PolarHBondContact O-N 3Å; G362-S366 VanDerWaalsContact O-N 3.11Å; G362-S366 PolarHBondContact O-OG 3.04Å
363I98.3Very high96.9Very high1 Ų152.5 Ų52.51%0.00527%0.271CS..Hα-helixtrans-75.8-36.4174.3-57.9-59.5000111.8L326 Y352 I355 D359 V360 E361 H365 S366 H367 T378 Y381 W413L326-I363 HydrophobicContact CD1-CG2 4.41Å; Y352-I363 HydrophobicContact CE1-CG2 4.29Å; I355-I363 HydrophobicContact CD1-CB 3.97Å; I355-I363 HydrophobicContact CD1-CG1 3.96Å; I355-I363 HydrophobicContact CD1-CG2 3.64Å; I355-I363 HydrophobicContact CG1-CG1 4.42Å; I355-I363 HydrophobicContact CG2-CG1 4.04Å; D359-I363 PolarHBondContact O-N 3.03Å; V360-I363 PolarHBondContact O-N 2.87Å; E361-I363 VanDerWaalsContact C-N 3.35Å; E361-I363 PolarHBondContact O-N 2.88Å; I363-H365 VanDerWaalsContact C-N 3.31Å; I363-H365 PolarHBondContact O-N 2.71Å; I363-S366 PolarHBondContact O-N 3.29Å; I363-H367 VanDerWaalsContact O-CB 3.3Å; I363-H367 WeakPolarHBondContact O-CB 3.07Å; I363-H367 PolarHBondContact O-N 3.46Å; I363-T378 HydrophobicContact CD1-CG2 3.69Å; I363-Y381 HydrophobicContact CD1-CD1 3.66Å; I363-Y381 HydrophobicContact CD1-CD2 4.26Å; I363-Y381 HydrophobicContact CD1-CE1 4.08Å; I363-Y381 HydrophobicContact CD1-CG 3.73Å; I363-Y381 HydrophobicContact CG1-CD2 4.37Å; I363-Y381 HydrophobicContact CG1-CG 4.2Å; I363-W413 HydrophobicContact CG2-CH2 4.31Å
364R98.3Very high96.7Very high122 Ų12249 Ų4946%0.4626%0.26SS..Hα-helixtrans-60.2-41.3174.2-165.4-170.470.182.94.4111.6V360 E361 H367 L368V360-R364 WeakPolarHBondContact O-CB 3.17Å; V360-R364 PolarHBondContact O-N 3.29Å; E361-R364 PolarHBondContact O-N 3.49Å; E361-R364 IonicContact OE1-CZ 2.72Å; E361-R364 IonicContact OE1-NE 3.54Å; E361-R364 IonicContact OE1-NH2 3.83Å; E361-R364 PolarHBondContact OE1-NH2 3.1Å; E361-R364 IonicContact OE2-CZ 3.4Å; E361-R364 IonicContact OE2-NE 3.43Å; E361-R364 PolarHBondContact OE2-NE 3.13Å; E361-R364 IonicContact OE2-NH2 2.79Å; E361-R364 PolarHBondContact OE2-NH2 3.12Å; R364-H367 PolarHBondContact O-N 2.95Å; R364-L368 PolarHBondContact O-N 3.07Å
365H97.3Very high96.5Very high102 Ų10249.1 Ų49.147%0.47226%0.261SS..Hα-helixtrans-65.4-46.8173.2-171.185.9000111.9E361 I363 H367 L368 D369E361-H365 WeakPolarHBondContact O-CB 3.48Å; E361-H365 PolarHBondContact O-N 3.01Å; I363-H365 VanDerWaalsContact C-N 3.31Å; I363-H365 PolarHBondContact O-N 2.71Å; H365-H367 VanDerWaalsContact C-N 3.26Å; H365-H367 PolarHBondContact O-N 3.19Å; H365-L368 WeakPolarHBondContact O-CB 3.48Å; H365-L368 PolarHBondContact O-N 3.25Å; H365-L368 VanDerWaalsContact O-N 3.13Å; H365-D369 PolarHBondContact O-N 3.35Å
366S97.9Very high96.3Very high7 Ų748.9 Ų48.95%0.04926%0.26CS..Hα-helixtrans-58.7-38.1176.1-54.30000112.1G362 I363 D369 L370 C376G362-S366 PolarHBondContact O-N 3Å; G362-S366 VanDerWaalsContact O-N 3.11Å; G362-S366 PolarHBondContact O-OG 3.04Å; I363-S366 PolarHBondContact O-N 3.29Å; S366-D369 PolarHBondContact O-N 3.11Å; S366-L370 WeakPolarHBondContact O-CB 3.29Å; S366-L370 PolarHBondContact O-N 2.86Å; S366-C376 PolarHBondContact O-SG 2.93Å; S366-C376 VanDerWaalsContact O-SG 3.38Å
367H98.1Very high96.2Very high20 Ų2048.5 Ų48.59%0.09326%0.26CS..Hα-helixtrans-67.6-40.3176.2-174.8-147.5000112M324 L326 Y352 I363 R364 H365 L370 L371M324-H367 PolarHBondContact O-NE2 2.91Å; L326-H367 HydrophobicContact CD1-CB 4.23Å; Y352-H367 PolarHBondContact OH-ND1 3.23Å; Y352-H367 VanDerWaalsContact OH-ND1 3.12Å; I363-H367 VanDerWaalsContact O-CB 3.3Å; I363-H367 WeakPolarHBondContact O-CB 3.07Å; I363-H367 PolarHBondContact O-N 3.46Å; R364-H367 PolarHBondContact O-N 2.95Å; H365-H367 VanDerWaalsContact C-N 3.26Å; H365-H367 PolarHBondContact O-N 3.19Å; H367-L370 WeakPolarHBondContact O-CB 3.42Å; H367-L370 PolarHBondContact O-N 3.26Å; H367-L371 VanDerWaalsContact O-CG 3.29Å; H367-L371 WeakPolarHBondContact O-CG 3.28Å; H367-L371 PolarHBondContact O-N 2.96Å
368L97.1Very high96.2Very high82 Ų8244.7 Ų44.743%0.42923%0.228SC..Hα-helixtrans-62.9-41.6174.2-177.959.9000111.9R364 H365 L371 N372R364-L368 PolarHBondContact O-N 3.07Å; H365-L368 WeakPolarHBondContact O-CB 3.48Å; H365-L368 PolarHBondContact O-N 3.25Å; H365-L368 VanDerWaalsContact O-N 3.13Å; L368-L371 PolarHBondContact O-N 2.93Å; L368-N372 WeakPolarHBondContact CD1-ND2 3.35Å; L368-N372 WeakPolarHBondContact O-CB 3.07Å; L368-N372 VanDerWaalsContact O-CG 3.28Å; L368-N372 PolarHBondContact O-N 3.32Å; L368-N372 PolarHBondContact O-ND2 3.34Å
369D95.4Very high96.1Very high16 Ų1645 Ų459%0.08623%0.227CC..Hα-helixtrans-60.1-46.2172.2-97.9-29.4000112.1F249 H365 S366 L371 N372 K373 C376F249-D369 HydrophobicContact CD2-CB 4.35Å; F249-D369 WeakPolarHBondContact CD2-OD2 3.48Å; H365-D369 PolarHBondContact O-N 3.35Å; S366-D369 PolarHBondContact O-N 3.11Å; D369-L371 VanDerWaalsContact C-N 3.33Å; D369-L371 PolarHBondContact O-N 3.2Å; D369-N372 PolarHBondContact O-N 3.05Å; D369-K373 WeakPolarHBondContact O-CB 3.44Å; D369-K373 PolarHBondContact O-N 3.43Å; D369-K373 WeakPolarHBondContact OD1-CD 3.2Å; D369-K373 VanDerWaalsContact OD1-CE 3.23Å; D369-K373 WeakPolarHBondContact OD1-CE 3.46Å; D369-K373 IonicContact OD1-NZ 2.68Å; D369-K373 PolarHBondContact OD1-NZ 2.93Å; D369-C376 HydrophobicContact CB-CB 4.38Å
370L95.3Very high96.1Very high0 Ų049.2 Ų49.20%024%0.242CC..Hα-helixtrans-56.9-45177.1-18059.9000112.2S366 H367 G374 C376 A397 I399 I411 W413S366-L370 WeakPolarHBondContact O-CB 3.29Å; S366-L370 PolarHBondContact O-N 2.86Å; H367-L370 WeakPolarHBondContact O-CB 3.42Å; H367-L370 PolarHBondContact O-N 3.26Å; L370-G374 CarbonylContact O-C 3.54Å; L370-G374 WeakPolarHBondContact O-CA 3.19Å; L370-G374 PolarHBondContact O-N 3.41Å; L370-C376 HydrophobicContact CB-CB 4.13Å; L370-A397 HydrophobicContact CD1-CB 4.04Å; L370-A397 HydrophobicContact CD2-CB 3.68Å; L370-A397 HydrophobicContact CG-CB 4.49Å; L370-I399 HydrophobicContact CD1-CG1 4.18Å; L370-I399 HydrophobicContact CG-CG1 4.36Å; L370-I399 WeakPolarHBondContact O-CD1 3.33Å; L370-I411 HydrophobicContact CD2-CD1 3.66Å; L370-I411 HydrophobicContact CD2-CG1 4Å; L370-I411 HydrophobicContact CD2-CG2 3.79Å; L370-I411 HydrophobicContact CG-CD1 4.35Å; L370-W413 HydrophobicContact CD2-CE3 4.37Å; L370-W413 HydrophobicContact CD2-CZ3 4.04Å
371L94.1Very high96.1Very high73 Ų7347.2 Ų47.238%0.38223%0.23SC..Hα-helixtrans-66-41.2177.7-66.9174.1000112.4M324 H367 L368 D369M324-L371 HydrophobicContact CE-CD2 3.4Å; H367-L371 VanDerWaalsContact O-CG 3.29Å; H367-L371 WeakPolarHBondContact O-CG 3.28Å; H367-L371 PolarHBondContact O-N 2.96Å; L368-L371 PolarHBondContact O-N 2.93Å; D369-L371 VanDerWaalsContact C-N 3.33Å; D369-L371 PolarHBondContact O-N 3.2Å
372N94.1Very high96.1Very high94 Ų9443.5 Ų43.550%0.50321%0.211SC..Hα-helixtrans-79.5-34.1-175.8-73.5-28.9000114.2R251 L368 D369R251-N372 PolarHBondContact NH1-O 2.96Å; L368-N372 WeakPolarHBondContact CD1-ND2 3.35Å; L368-N372 WeakPolarHBondContact O-CB 3.07Å; L368-N372 VanDerWaalsContact O-CG 3.28Å; L368-N372 PolarHBondContact O-N 3.32Å; L368-N372 PolarHBondContact O-ND2 3.34Å; D369-N372 PolarHBondContact O-N 3.05Å
373K93.4Very high96.2Very high18 Ų1842.5 Ų42.58%0.07820%0.201CC..Hα-helixtrans-114-20.7-169.3-62.2166.8-176169.40113E190 F249 V270 D369E190-K373 IonicContact OE1-NZ 3.65Å; E190-K373 PolarHBondContact OE1-NZ 3.36Å; E190-K373 WeakPolarHBondContact OE2-CE 3.28Å; E190-K373 IonicContact OE2-NZ 3.09Å; E190-K373 PolarHBondContact OE2-NZ 3.03Å; F249-K373 HydrophobicContact CB-CD 3.81Å; F249-K373 WeakPolarHBondContact O-CD 3.36Å; F249-K373 WeakPolarHBondContact O-CE 3.32Å; F249-K373 PolarHBondContact O-NZ 2.96Å; V270-K373 HydrophobicContact CG2-CB 4.5Å; V270-K373 WeakPolarHBondContact CG2-O 3.45Å; D369-K373 WeakPolarHBondContact O-CB 3.44Å; D369-K373 PolarHBondContact O-N 3.43Å; D369-K373 WeakPolarHBondContact OD1-CD 3.2Å; D369-K373 VanDerWaalsContact OD1-CE 3.23Å; D369-K373 WeakPolarHBondContact OD1-CE 3.46Å; D369-K373 IonicContact OD1-NZ 2.68Å; D369-K373 PolarHBondContact OD1-NZ 2.93Å
374G91.5Very high96.2Very high21 Ų2143.2 Ų43.222%0.21621%0.205CC..SBendtrans99.6-17.1173.300000115.2L370 I399L370-G374 CarbonylContact O-C 3.54Å; L370-G374 WeakPolarHBondContact O-CA 3.19Å; L370-G374 PolarHBondContact O-N 3.41Å; G374-I399 PolarHBondContact O-N 3.49Å
375Q93.1Very high96.1Very high20 Ų2037.6 Ų37.69%0.09318%0.184CC..EExtended strand (participates in β ladder)trans-148148.1178.4-52.3-171.6-98.700109.2V270 L303 P304 A397 T398V270-Q375 HydrophobicContact CB-CB 4.07Å; V270-Q375 HydrophobicContact CB-CG 4.42Å; V270-Q375 HydrophobicContact CG1-CB 4.28Å; V270-Q375 HydrophobicContact CG2-CB 3.97Å; V270-Q375 HydrophobicContact CG2-CG 4.06Å; L303-Q375 HydrophobicContact CB-CB 4.41Å; L303-Q375 HydrophobicContact CD1-CB 3.63Å; P304-Q375 PolarHBondContact O-NE2 3.24Å; Q375-A397 VanDerWaalsContact CA-O 3.32Å; Q375-A397 WeakPolarHBondContact CA-O 3.42Å; Q375-T398 HydrophobicContact CG-CG2 4.01Å; Q375-T398 WeakPolarHBondContact CG-OG1 3.44Å; Q375-T398 PolarHBondContact NE2-OG1 3.28Å
376C94.8Very high95.9Very high0 Ų037 Ų370%018%0.18CC..EExtended strand (participates in β ladder)trans-148.3168.6171790000111.1F249 S366 D369 L370 A397F249-C376 HydrophobicContact CE2-CB 4.43Å; F249-C376 HydrophobicContact CZ-CB 4.42Å; S366-C376 PolarHBondContact O-SG 2.93Å; S366-C376 VanDerWaalsContact O-SG 3.38Å; D369-C376 HydrophobicContact CB-CB 4.38Å; L370-C376 HydrophobicContact CB-CB 4.13Å; C376-A397 PolarHBondContact N-O 3.13Å; C376-A397 PolarHBondContact O-N 3.23Å
377V95.9Very high95.5Very high24 Ų2441.6 Ų41.615%0.14520%0.204CC..EExtended strand (participates in β ladder)trans-126.7132.21641800000107.3F249 L303 Q394 S395F249-V377 HydrophobicContact CE1-CB 4.23Å; F249-V377 HydrophobicContact CE1-CG2 4.41Å; F249-V377 HydrophobicContact CZ-CB 4.04Å; F249-V377 VanDerWaalsContact CZ-O 3.29Å; F249-V377 WeakPolarHBondContact CZ-O 3.39Å; L303-V377 HydrophobicContact CD1-CG2 4.37Å; L303-V377 HydrophobicContact CD2-CG2 3.57Å; V377-Q394 HydrophobicContact CG1-CG 4.06Å; V377-S395 WeakPolarHBondContact CA-O 3.46Å
378T97.4Very high95.3Very high4 Ų440.7 Ų40.73%0.02520%0.2CC..PPolyproline II helixtrans-72163.8-179.1680000111.4I363 Y381 Q394 S395 W413I363-T378 HydrophobicContact CD1-CG2 3.69Å; T378-Y381 HydrophobicContact CG2-CE1 4.3Å; T378-Q394 WeakPolarHBondContact O-CG 3.46Å; T378-Q394 PolarHBondContact O-NE2 2.85Å; T378-S395 PolarHBondContact N-O 3.34Å; T378-S395 PolarHBondContact OG1-N 3.16Å; T378-W413 HydrophobicContact CG2-CH2 3.83Å; T378-W413 HydrophobicContact CG2-CZ2 3.71Å
379K95.3Very high95.3Very high145 Ų14536.8 Ų36.863%0.6318%0.179SC*.PPolyproline II helixtrans-64169.3153.3-64.5175.1-176.8173.50109.5Y381K379-Y381 PolarHBondContact O-N 3.34Å
380Y97.9Very high95.4Very high114 Ų11437 Ų3745%0.44718%0.179SC..PPolyproline II helixtrans-61.9133164.5-52.1-39.8000109I393 Q394 L418Y380-I393 WeakPolarHBondContact CA-O 3.31Å; Y380-Q394 HydrophobicContact CD1-CB 3.98Å; Y380-Q394 HydrophobicContact CD1-CG 4.21Å; Y380-Q394 HydrophobicContact CE1-CB 4.24Å; Y380-Q394 HydrophobicContact CE1-CG 4.35Å; Y380-L418 HydrophobicContact CD1-CD1 3.37Å; Y380-L418 HydrophobicContact CE1-CD1 3.91Å; Y380-L418 HydrophobicContact CG-CD1 3.94Å
381Y98.6Very high95.5Very high3 Ų337 Ų371%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-143160-179.374.7-84.3000111.3I355 I363 T378 K379 W383 W392 I393 S395 W413I355-Y381 HydrophobicContact CG1-CD2 4.06Å; I355-Y381 HydrophobicContact CG1-CE2 3.95Å; I355-Y381 HydrophobicContact CG2-CD2 4.42Å; I363-Y381 HydrophobicContact CD1-CD1 3.66Å; I363-Y381 HydrophobicContact CD1-CD2 4.26Å; I363-Y381 HydrophobicContact CD1-CE1 4.08Å; I363-Y381 HydrophobicContact CD1-CG 3.73Å; I363-Y381 HydrophobicContact CG1-CD2 4.37Å; I363-Y381 HydrophobicContact CG1-CG 4.2Å; T378-Y381 HydrophobicContact CG2-CE1 4.3Å; K379-Y381 PolarHBondContact O-N 3.34Å; Y381-W383 AromaticContact CE2-CE3 3.83Å; Y381-W383 HydrophobicContact CE2-CE3 3.83Å; Y381-W383 WeakPolarHBondContact OH-CZ3 3.18Å; Y381-W392 WeakPolarHBondContact O-CA 3.21Å; Y381-I393 HydrophobicContact CD1-CB 4.43Å; Y381-I393 VanDerWaalsContact CD1-O 3.31Å; Y381-I393 WeakPolarHBondContact CD1-O 3.33Å; Y381-I393 HydrophobicContact CE1-CB 4.05Å; Y381-I393 HydrophobicContact CE1-CG2 3.74Å; Y381-I393 PolarHBondContact N-O 2.77Å; Y381-I393 PolarHBondContact O-N 3.28Å; Y381-S395 PolarHBondContact OH-OG 3.42Å; Y381-W413 PolarHBondContact OH-NE1 3.44Å
382R98.5Very high95.7Very high27 Ų2736.8 Ų36.810%0.10217%0.173CC..EExtended strand (participates in β ladder)trans-100.2121.4-176.7-66.6162-77.9-172-9110.5H356 E358 D359 Y390 I391 W392H356-R382 HydrophobicContact CB-CB 3.65Å; H356-R382 PolarHBondContact CE1-NH1 3.44Å; H356-R382 VanDerWaalsContact CE1-NH1 3.33Å; H356-R382 PolarHBondContact N-O 3.43Å; H356-R382 VanDerWaalsContact ND1-CZ 3.26Å; H356-R382 PolarHBondContact ND1-NH1 3.25Å; H356-R382 PolarHBondContact ND1-NH2 3.01Å; E358-R382 IonicContact OE2-CZ 2.71Å; E358-R382 IonicContact OE2-NH1 2.71Å; E358-R382 PolarHBondContact OE2-NH1 3.21Å; E358-R382 IonicContact OE2-NH2 3.21Å; E358-R382 PolarHBondContact OE2-NH2 3.16Å; D359-R382 VanDerWaalsContact CG-NH2 3.31Å; D359-R382 IonicContact OD1-CZ 2.74Å; D359-R382 IonicContact OD1-NE 3.57Å; D359-R382 IonicContact OD1-NH2 3.58Å; D359-R382 PolarHBondContact OD1-NH2 3.45Å; D359-R382 WeakPolarHBondContact OD2-CB 3.2Å; D359-R382 IonicContact OD2-CZ 3.2Å; D359-R382 PolarHBondContact OD2-N 3.07Å; D359-R382 IonicContact OD2-NE 2.72Å; D359-R382 PolarHBondContact OD2-NE 3.27Å; D359-R382 IonicContact OD2-NH2 3.53Å; D359-R382 PolarHBondContact OD2-NH2 3.12Å; R382-Y390 HydrophobicContact CB-CD1 4.27Å; R382-Y390 HydrophobicContact CB-CD2 3.69Å; R382-Y390 HydrophobicContact CB-CE2 4.33Å; R382-Y390 HydrophobicContact CB-CG 3.69Å; R382-Y390 HydrophobicContact CG-CD1 4.31Å; R382-Y390 HydrophobicContact CG-CD2 3.45Å; R382-Y390 VanDerWaalsContact CG-CD2 3.45Å; R382-Y390 HydrophobicContact CG-CE1 4.4Å; R382-Y390 HydrophobicContact CG-CE2 3.6Å; R382-Y390 HydrophobicContact CG-CG 3.87Å; R382-I391 CarbonylContact C-O 3.52Å; R382-I391 WeakPolarHBondContact CA-O 3.44Å; R382-W392 HydrophobicContact CG-CD2 3.8Å; R382-W392 HydrophobicContact CG-CE3 3.73Å; R382-W392 HydrophobicContact CG-CH2 3.71Å; R382-W392 HydrophobicContact CG-CZ2 3.77Å; R382-W392 HydrophobicContact CG-CZ3 3.69Å
383W98.1Very high95.9Very high0 Ų032.3 Ų32.30%015%0.149CC..EExtended strand (participates in β ladder)trans-98.4111.6173.7-166.6-58.5000109.6I328 M339 F354 Y381 Q385 Y390 I391 I393I328-W383 HydrophobicContact CD1-CH2 4.27Å; I328-W383 HydrophobicContact CD1-CZ2 4.34Å; M339-W383 HydrophobicContact CE-CD2 4.03Å; M339-W383 HydrophobicContact CE-CG 3.97Å; M339-W383 VanDerWaalsContact SD-CD1 3.6Å; M339-W383 HydrophobicContact SD-CG 4.18Å; F354-W383 HydrophobicContact CB-CD2 4.22Å; F354-W383 HydrophobicContact CB-CG 4.34Å; F354-W383 HydrophobicContact CB-CZ2 4.08Å; F354-W383 HydrophobicContact CD2-CZ2 4.04Å; F354-W383 HydrophobicContact CG-CZ2 4.17Å; F354-W383 AromaticContact CG-NE1 3.77Å; F354-W383 CarbonylContact O-C 3.55Å; F354-W383 WeakPolarHBondContact O-CA 3.31Å; Y381-W383 AromaticContact CE2-CE3 3.83Å; Y381-W383 HydrophobicContact CE2-CE3 3.83Å; Y381-W383 WeakPolarHBondContact OH-CZ3 3.18Å; W383-Q385 PolarHBondContact O-NE2 3.29Å; W383-Q385 VanDerWaalsContact O-NE2 3.16Å; W383-Y390 CarbonylContact O-C 3.55Å; W383-Y390 VanDerWaalsContact O-CA 3.26Å; W383-Y390 WeakPolarHBondContact O-CA 3.35Å; W383-Y390 WeakPolarHBondContact O-CB 3.45Å; W383-I391 HydrophobicContact CB-CG1 4.23Å; W383-I391 PolarHBondContact N-O 2.69Å; W383-I391 PolarHBondContact O-N 2.95Å; W383-I393 HydrophobicContact CB-CD1 3.64Å; W383-I393 HydrophobicContact CB-CG1 4.28Å; W383-I393 HydrophobicContact CD2-CD1 4.09Å; W383-I393 HydrophobicContact CE3-CD1 3.83Å; W383-I393 HydrophobicContact CG-CD1 4.04Å
384M97.4Very high96.1Very high15 Ų1533.8 Ų33.87%0.07416%0.157CC..EExtended strand (participates in β ladder)trans-64.9135-175.6-61.3-171.2-65.100111.4H353 F354 H356 G389 M428 D429H353-M384 WeakPolarHBondContact O-CE 3.43Å; F354-M384 PolarHBondContact O-N 2.97Å; H356-M384 HydrophobicContact CB-CG 4.37Å; M384-G389 WeakPolarHBondContact CA-O 3.5Å; M384-M428 HydrophobicContact SD-CB 4.26Å; M384-D429 HydrophobicContact CE-CB 3.73Å; M384-D429 HydrophobicContact SD-CB 3.84Å
385Q96.2Very high96.3Very high4 Ų432.8 Ų32.82%0.01915%0.146CC..  trans-85.2175-179.1-63.6-55.4-61.700111.9M339 W383 G389 I391 Q432M339-Q385 PolarHBondContact SD-NE2 2.72Å; M339-Q385 VanDerWaalsContact SD-NE2 3.36Å; W383-Q385 PolarHBondContact O-NE2 3.29Å; W383-Q385 VanDerWaalsContact O-NE2 3.16Å; Q385-G389 PolarHBondContact N-O 3.21Å; Q385-I391 HydrophobicContact CG-CG2 4.37Å; Q385-Q432 WeakPolarHBondContact O-CG 3.41Å; Q385-Q432 PolarHBondContact O-NE2 2.96Å
386K93.8Very high96.3Very high91 Ų9132.8 Ų32.840%0.39615%0.148SC..SBendtrans-69.9-35.1-179.3-169.7167.7-179163.30113.8D340 L341 D345D340-K386 HydrophobicContact CB-CB 3.73Å; D340-K386 VanDerWaalsContact O-CB 3.27Å; D340-K386 WeakPolarHBondContact O-CB 3.43Å; D340-K386 VanDerWaalsContact O-CD 3.23Å; D340-K386 WeakPolarHBondContact O-CD 3.47Å; L341-K386 HydrophobicContact CD2-CB 3.79Å; L341-K386 HydrophobicContact CD2-CD 4.29Å; L341-K386 HydrophobicContact CD2-CG 4.2Å; L341-K386 HydrophobicContact CG-CB 4.18Å; D345-K386 IonicContact OD1-NZ 3.3Å; D345-K386 PolarHBondContact OD1-NZ 3.21Å; D345-K386 IonicContact OD2-NZ 2.7Å
387N89.9Confident96.3Very high103 Ų10332.8 Ų32.855%0.55115%0.148SC*.SBendtrans-106.2-2.3-165.6-58.3-51.1000114.5D340D340-N387 VanDerWaalsContact CG-ND2 3.33Å; D340-N387 PolarHBondContact OD2-ND2 2.89Å
388G93.8Very high96.1Very high1 Ų132.4 Ų32.41%0.0115%0.146CC..SBendtrans132.2159.6-170.700000111.4K424 T426G388-K424 CarbonylContact C-O 3.47Å; G388-K424 WeakPolarHBondContact CA-O 3.27Å; G388-T426 CarbonylContact C-O 3.59Å; G388-T426 WeakPolarHBondContact CA-O 3.46Å
389G96.8Very high95.7Very high0 Ų033.6 Ų33.60%015%0.152CC..  trans64.3-161.2179.500000115M384 Q385 E422 Y423 T426 Q432M384-G389 WeakPolarHBondContact CA-O 3.5Å; Q385-G389 PolarHBondContact N-O 3.21Å; G389-E422 VanDerWaalsContact CA-O 3.22Å; G389-E422 WeakPolarHBondContact CA-O 3.49Å; G389-Y423 WeakPolarHBondContact CA-O 3.38Å; G389-Y423 PolarHBondContact N-O 3.38Å; G389-T426 PolarHBondContact N-O 2.64Å; G389-Q432 PolarHBondContact O-NE2 3.4Å
390Y97.6Very high95.2Very high19 Ų1927.3 Ų27.38%0.07513%0.127CC..EExtended strand (participates in β ladder)trans-154.3173-172.861.3-104.4000112.7R382 W383 W392 P421 E422 Y423R382-Y390 HydrophobicContact CB-CD1 4.27Å; R382-Y390 HydrophobicContact CB-CD2 3.69Å; R382-Y390 HydrophobicContact CB-CE2 4.33Å; R382-Y390 HydrophobicContact CB-CG 3.69Å; R382-Y390 HydrophobicContact CG-CD1 4.31Å; R382-Y390 HydrophobicContact CG-CD2 3.45Å; R382-Y390 VanDerWaalsContact CG-CD2 3.45Å; R382-Y390 HydrophobicContact CG-CE1 4.4Å; R382-Y390 HydrophobicContact CG-CE2 3.6Å; R382-Y390 HydrophobicContact CG-CG 3.87Å; W383-Y390 CarbonylContact O-C 3.55Å; W383-Y390 VanDerWaalsContact O-CA 3.26Å; W383-Y390 WeakPolarHBondContact O-CA 3.35Å; W383-Y390 WeakPolarHBondContact O-CB 3.45Å; Y390-W392 AromaticContact CE2-CD1 3.96Å; Y390-W392 AromaticContact CE2-NE1 3.55Å; Y390-P421 WeakPolarHBondContact O-CA 3.36Å; Y390-E422 HydrophobicContact CD2-CB 4.28Å; Y390-E422 HydrophobicContact CE2-CB 3.68Å; Y390-E422 HydrophobicContact CE2-CG 4.24Å; Y390-E422 WeakPolarHBondContact CE2-OE2 3.28Å; Y390-E422 VanDerWaalsContact CZ-OE2 3.31Å; Y390-E422 PolarHBondContact N-O 3Å; Y390-E422 PolarHBondContact O-N 3.29Å; Y390-E422 PolarHBondContact OH-OE2 3.48Å; Y390-Y423 AromaticContact CE1-CD2 3.92Å; Y390-Y423 HydrophobicContact CE1-CD2 3.92Å; Y390-Y423 AromaticContact CZ-CD2 3.88Å; Y390-Y423 WeakPolarHBondContact OH-CD2 3.18Å; Y390-Y423 WeakPolarHBondContact OH-CE2 3.3Å
391I97.6Very high94.4Very high0 Ų026 Ų260%013%0.127CC..EExtended strand (participates in β ladder)trans-122.3153.1160.963.6173.2000111.4M339 R382 W383 Q385 I393 L417 P421M339-I391 HydrophobicContact CE-CD1 3.93Å; M339-I391 HydrophobicContact CG-CD1 3.83Å; M339-I391 HydrophobicContact SD-CD1 4.06Å; R382-I391 CarbonylContact C-O 3.52Å; R382-I391 WeakPolarHBondContact CA-O 3.44Å; W383-I391 HydrophobicContact CB-CG1 4.23Å; W383-I391 PolarHBondContact N-O 2.69Å; W383-I391 PolarHBondContact O-N 2.95Å; Q385-I391 HydrophobicContact CG-CG2 4.37Å; I391-I393 HydrophobicContact CD1-CD1 4.04Å; I391-I393 HydrophobicContact CD1-CG1 4.15Å; I391-I393 HydrophobicContact CG1-CD1 4.16Å; I391-I393 HydrophobicContact CG1-CG1 4.07Å; I391-L417 HydrophobicContact CD1-CD1 3.6Å; I391-L417 HydrophobicContact CD1-CD2 4.35Å; I391-L417 HydrophobicContact CD1-CG 3.97Å; I391-P421 HydrophobicContact CG2-CB 4.24Å; I391-P421 HydrophobicContact CG2-CG 3.83Å
392W98.3Very high93.2Very high69 Ų6928.1 Ų28.126%0.26114%0.139SC..EExtended strand (participates in β ladder)trans-81.9133.2172.3-70.899.7000111.8Y381 R382 Y390 L418 S419 E422Y381-W392 WeakPolarHBondContact O-CA 3.21Å; R382-W392 HydrophobicContact CG-CD2 3.8Å; R382-W392 HydrophobicContact CG-CE3 3.73Å; R382-W392 HydrophobicContact CG-CH2 3.71Å; R382-W392 HydrophobicContact CG-CZ2 3.77Å; R382-W392 HydrophobicContact CG-CZ3 3.69Å; Y390-W392 AromaticContact CE2-CD1 3.96Å; Y390-W392 AromaticContact CE2-NE1 3.55Å; W392-L418 HydrophobicContact CB-CB 3.79Å; W392-L418 HydrophobicContact CB-CD1 4.3Å; W392-L418 WeakPolarHBondContact O-CB 3.15Å; W392-L418 PolarHBondContact O-N 3.38Å; W392-S419 PolarHBondContact N-OG 3.23Å; W392-E422 PolarHBondContact NE1-OE1 3.45Å; W392-E422 PolarHBondContact NE1-OE2 2.94Å
393I98.1Very high91.8Very high0 Ų031.7 Ų31.70%017%0.174CC..EExtended strand (participates in β ladder)trans-133.1147178.6-63.1-174.1000109.9F318 M339 Y380 Y381 W383 I391 S395 N415 Y416F318-I393 HydrophobicContact CE1-CD1 4.25Å; F318-I393 HydrophobicContact CZ-CD1 4.31Å; M339-I393 HydrophobicContact CE-CD1 3.78Å; Y380-I393 WeakPolarHBondContact CA-O 3.31Å; Y381-I393 HydrophobicContact CD1-CB 4.43Å; Y381-I393 VanDerWaalsContact CD1-O 3.31Å; Y381-I393 WeakPolarHBondContact CD1-O 3.33Å; Y381-I393 HydrophobicContact CE1-CB 4.05Å; Y381-I393 HydrophobicContact CE1-CG2 3.74Å; Y381-I393 PolarHBondContact N-O 2.77Å; Y381-I393 PolarHBondContact O-N 3.28Å; W383-I393 HydrophobicContact CB-CD1 3.64Å; W383-I393 HydrophobicContact CB-CG1 4.28Å; W383-I393 HydrophobicContact CD2-CD1 4.09Å; W383-I393 HydrophobicContact CE3-CD1 3.83Å; W383-I393 HydrophobicContact CG-CD1 4.04Å; I391-I393 HydrophobicContact CD1-CD1 4.04Å; I391-I393 HydrophobicContact CD1-CG1 4.15Å; I391-I393 HydrophobicContact CG1-CD1 4.16Å; I391-I393 HydrophobicContact CG1-CG1 4.07Å; I393-S395 WeakPolarHBondContact CG2-OG 3.39Å; I393-N415 HydrophobicContact CG2-CB 4.02Å; I393-Y416 WeakPolarHBondContact CA-O 3.47Å
394Q97.2Very high90.7Very high50 Ų5041.4 Ų41.423%0.23422%0.216CC..EExtended strand (participates in β ladder)trans-114.5145.8152.6-164.6170.727.500108.5V377 T378 Y380 Y416 L418V377-Q394 HydrophobicContact CG1-CG 4.06Å; T378-Q394 WeakPolarHBondContact O-CG 3.46Å; T378-Q394 PolarHBondContact O-NE2 2.85Å; Y380-Q394 HydrophobicContact CD1-CB 3.98Å; Y380-Q394 HydrophobicContact CD1-CG 4.21Å; Y380-Q394 HydrophobicContact CE1-CB 4.24Å; Y380-Q394 HydrophobicContact CE1-CG 4.35Å; Q394-Y416 PolarHBondContact N-O 2.97Å; Q394-Y416 VanDerWaalsContact N-O 3.07Å; Q394-Y416 WeakPolarHBondContact O-CB 3.48Å; Q394-Y416 WeakPolarHBondContact O-CD2 3.42Å; Q394-Y416 PolarHBondContact O-N 2.56Å; Q394-L418 HydrophobicContact CB-CD1 4.25Å
395S95.8Very high89.6Confident0 Ų044.3 Ų44.30%023%0.232CC..EExtended strand (participates in β ladder)trans-128.9138.1176.3-550000112.9V377 T378 Y381 I393 W413 V414 N415V377-S395 WeakPolarHBondContact CA-O 3.46Å; T378-S395 PolarHBondContact N-O 3.34Å; T378-S395 PolarHBondContact OG1-N 3.16Å; Y381-S395 PolarHBondContact OH-OG 3.42Å; I393-S395 WeakPolarHBondContact CG2-OG 3.39Å; S395-W413 PolarHBondContact OG-NE1 3.47Å; S395-W413 VanDerWaalsContact OG-NE1 3.12Å; S395-V414 CarbonylContact C-O 3.09Å; S395-V414 WeakPolarHBondContact CA-O 3.27Å; S395-V414 WeakPolarHBondContact CB-O 3.34Å; S395-N415 PolarHBondContact OG-OD1 3.21Å
396S93.8Very high88.6Confident19 Ų1947.3 Ų47.313%0.13326%0.257CS..EExtended strand (participates in β ladder)trans-100.7123.1169.3-176.20000108.4V414S396-V414 PolarHBondContact N-O 3.48Å; S396-V414 PolarHBondContact O-N 2.95Å
397A93.6Very high87.7Confident0 Ų049.8 Ų49.80%028%0.275CS..EExtended strand (participates in β ladder)trans-122.7144.6-171.700000111.4L370 Q375 C376 I411 I412 W413L370-A397 HydrophobicContact CD1-CB 4.04Å; L370-A397 HydrophobicContact CD2-CB 3.68Å; L370-A397 HydrophobicContact CG-CB 4.49Å; Q375-A397 VanDerWaalsContact CA-O 3.32Å; Q375-A397 WeakPolarHBondContact CA-O 3.42Å; C376-A397 PolarHBondContact N-O 3.13Å; C376-A397 PolarHBondContact O-N 3.23Å; A397-I411 HydrophobicContact CB-CG2 4.27Å; A397-I412 WeakPolarHBondContact CA-O 3.02Å; A397-W413 HydrophobicContact CB-CD2 4Å; A397-W413 HydrophobicContact CB-CE3 3.32Å; A397-W413 HydrophobicContact CB-CH2 4.47Å; A397-W413 HydrophobicContact CB-CZ3 3.59Å
398T92Very high87.3Confident16 Ų1648.4 Ų48.410%0.09827%0.265CS..EExtended strand (participates in β ladder)trans-153.4131.7-175.1-75.20000111.3P306 Q375 A400 I411 I412P306-T398 HydrophobicContact CB-CG2 3.52Å; P306-T398 HydrophobicContact CG-CG2 3.58Å; Q375-T398 HydrophobicContact CG-CG2 4.01Å; Q375-T398 WeakPolarHBondContact CG-OG1 3.44Å; Q375-T398 PolarHBondContact NE2-OG1 3.28Å; T398-A400 PolarHBondContact O-N 3.31Å; T398-I411 WeakPolarHBondContact O-CA 3.3Å; T398-I412 PolarHBondContact N-O 3.19Å; T398-I412 PolarHBondContact O-N 3.29Å
399I90.4Very high86.9Confident29 Ų2953.5 Ų53.515%0.14929%0.287CS..EExtended strand (participates in β ladder)trans-72.5114.3173.4-58.7176.6000109.1M324 L370 G374 K409 N410 I411M324-I399 HydrophobicContact CE-CD1 3.82Å; M324-I399 HydrophobicContact CE-CG1 4.37Å; M324-I399 HydrophobicContact SD-CG2 4.44Å; L370-I399 HydrophobicContact CD1-CG1 4.18Å; L370-I399 HydrophobicContact CG-CG1 4.36Å; L370-I399 WeakPolarHBondContact O-CD1 3.33Å; G374-I399 PolarHBondContact O-N 3.49Å; I399-K409 HydrophobicContact CG2-CB 4.25Å; I399-N410 CarbonylContact C-O 3.55Å; I399-I411 HydrophobicContact CG1-CG1 4.03Å
400A84.8Confident86.6Confident13 Ų1354.1 Ų54.111%0.10729%0.29CS..EExtended strand (participates in β ladder)trans-93.9126.7169.400000110.4T398 N410 I412T398-A400 PolarHBondContact O-N 3.31Å; A400-N410 PolarHBondContact N-O 3.5Å; A400-N410 PolarHBondContact O-N 3.36Å; A400-N410 PolarHBondContact O-ND2 2.83Å; A400-N410 VanDerWaalsContact O-ND2 3.16Å; A400-N410 VanDerWaalsContact O-O 3.12Å; A400-I412 HydrophobicContact CB-CD1 3.72Å; A400-I412 HydrophobicContact CB-CG1 3.93Å
401I80.2Confident86.4Confident87 Ų8753.2 Ų53.245%0.44629%0.287SS..EExtended strand (participates in β ladder)trans-94.4128.4173.1-57.7174.4000107.6A403 A406I401-A403 PolarHBondContact O-N 3.35Å; I401-A406 HydrophobicContact CG2-CB 4.28Å
402N72.8Confident86.1Confident48 Ų4854.3 Ų54.326%0.25729%0.292SS..EExtended strand (participates in β ladder)trans-66.6120.8176.4-176.7-11.4000110.4K404 N405 E408N402-K404 PolarHBondContact O-N 3.24Å; N402-K404 VanDerWaalsContact O-N 3.13Å; N402-K404 PolarHBondContact OD1-N 3.4Å; N402-N405 CarbonylContact O-C 3.49Å; N402-N405 PolarHBondContact O-N 3.01Å; N402-N405 VanDerWaalsContact O-O 3.1Å; N402-E408 HydrophobicContact CB-CB 4.01Å; N402-E408 PolarHBondContact N-O 2.83Å; N402-E408 PolarHBondContact ND2-OE2 2.99Å
403A70.8Confident85.9Confident101 Ų10151 Ų5184%0.83528%0.28SS*.THydrogen-bonded Turntrans-62-19.8179.900000114.2I401I401-A403 PolarHBondContact O-N 3.35Å
404K74.8Confident85.7Confident204 Ų20451.5 Ų51.589%0.88728%0.283SS*.THydrogen-bonded Turntrans-89.3-21.7174.1-62.9-176.5179.5-179.20113.5N402N402-K404 PolarHBondContact O-N 3.24Å; N402-K404 VanDerWaalsContact O-N 3.13Å; N402-K404 PolarHBondContact OD1-N 3.4Å
405N73.6Confident85.6Confident76 Ų7649.1 Ų49.141%0.40627%0.272SS..EExtended strand (participates in β ladder)trans-150.296.9-176.9-179.44.5000109.7N402 N407 E408N402-N405 CarbonylContact O-C 3.49Å; N402-N405 PolarHBondContact O-N 3.01Å; N402-N405 VanDerWaalsContact O-O 3.1Å; N405-N407 PolarHBondContact O-N 3.37Å; N405-N407 WeakPolarHBondContact OD1-CB 3.44Å; N405-N407 PolarHBondContact OD1-N 2.85Å; N405-E408 HydrophobicContact CB-CB 4.36Å; N405-E408 PolarHBondContact O-N 2.73Å
406A74.7Confident85.5Confident67 Ų6753.2 Ų53.255%0.55429%0.288SS*.EExtended strand (participates in β ladder)trans-62.1-15.1-17600000114.4I401I401-A406 HydrophobicContact CG2-CB 4.28Å
407N75.7Confident85.6Confident144 Ų14453.3 Ų53.377%0.7729%0.287SS*.EExtended strand (participates in β ladder)trans-82.1-24.9175.9-60.8-12.4000112.1N405 K409N405-N407 PolarHBondContact O-N 3.37Å; N405-N407 WeakPolarHBondContact OD1-CB 3.44Å; N405-N407 PolarHBondContact OD1-N 2.85Å; N407-K409 PolarHBondContact O-N 2.66Å
408E81.3Confident85.7Confident73 Ų7357.4 Ų57.434%0.34131%0.308SS..EExtended strand (participates in β ladder)trans-79.8100.1175.1-169.4-158.8151.100110R321 N402 N405R321-E408 IonicContact CZ-OE1 3.13Å; R321-E408 IonicContact NH1-OE1 2.72Å; R321-E408 IonicContact NH2-OE1 2.69Å; R321-E408 PolarHBondContact NH2-OE1 3.39Å; N402-E408 HydrophobicContact CB-CB 4.01Å; N402-E408 PolarHBondContact N-O 2.83Å; N402-E408 PolarHBondContact ND2-OE2 2.99Å; N405-E408 HydrophobicContact CB-CB 4.36Å; N405-E408 PolarHBondContact O-N 2.73Å
409K86Confident85.9Confident109 Ų10957.6 Ų57.647%0.47431%0.31SS..EExtended strand (participates in β ladder)trans-102.7137.4172.7-62.4176.5-174170.80109.8M324 I399 N407M324-K409 HydrophobicContact CG-CB 4.32Å; M324-K409 HydrophobicContact SD-CB 3.8Å; I399-K409 HydrophobicContact CG2-CB 4.25Å; N407-K409 PolarHBondContact O-N 2.66Å
410N90.3Very high86.1Confident13 Ų1362.3 Ų62.37%0.0734%0.335CS..EExtended strand (participates in β ladder)trans-141158.117460.5107.5000108.6R321 I399 A400R321-N410 HydrophobicContact CG-CB 4.31Å; R321-N410 PolarHBondContact NE-OD1 2.93Å; R321-N410 PolarHBondContact NH2-ND2 3.16Å; R321-N410 PolarHBondContact NH2-OD1 2.6Å; I399-N410 CarbonylContact C-O 3.55Å; A400-N410 PolarHBondContact N-O 3.5Å; A400-N410 PolarHBondContact O-N 3.36Å; A400-N410 PolarHBondContact O-ND2 2.83Å; A400-N410 VanDerWaalsContact O-ND2 3.16Å; A400-N410 VanDerWaalsContact O-O 3.12Å
411I92.9Very high86.7Confident0 Ų064.4 Ų64.40%035%0.348CS..EExtended strand (participates in β ladder)trans-102.9126.1177.1-70.6159.4000108.1R321 V322 M324 L326 L370 A397 T398 I399 W413R321-I411 WeakPolarHBondContact CA-O 3.42Å; V322-I411 HydrophobicContact CG2-CB 3.62Å; V322-I411 HydrophobicContact CG2-CD1 4.48Å; V322-I411 HydrophobicContact CG2-CG2 3.7Å; V322-I411 PolarHBondContact N-O 2.9Å; V322-I411 PolarHBondContact O-N 2.96Å; M324-I411 HydrophobicContact SD-CD1 4.23Å; M324-I411 HydrophobicContact SD-CG1 4.18Å; L326-I411 HydrophobicContact CD2-CD1 4.05Å; L370-I411 HydrophobicContact CD2-CD1 3.66Å; L370-I411 HydrophobicContact CD2-CG1 4Å; L370-I411 HydrophobicContact CD2-CG2 3.79Å; L370-I411 HydrophobicContact CG-CD1 4.35Å; A397-I411 HydrophobicContact CB-CG2 4.27Å; T398-I411 WeakPolarHBondContact O-CA 3.3Å; I399-I411 HydrophobicContact CG1-CG1 4.03Å; I411-W413 HydrophobicContact CG2-CB 4.36Å; I411-W413 HydrophobicContact CG2-CE3 3.97Å
412I92.2Very high87.5Confident22 Ų2263.4 Ų63.411%0.11334%0.342CS..EExtended strand (participates in β ladder)trans-85.6126.7163.2-58.3169.8000106.2I308 V319 A397 T398 A400 V414I308-I412 HydrophobicContact CB-CD1 4.2Å; V319-I412 HydrophobicContact CG1-CG2 3.97Å; A397-I412 WeakPolarHBondContact CA-O 3.02Å; T398-I412 PolarHBondContact N-O 3.19Å; T398-I412 PolarHBondContact O-N 3.29Å; A400-I412 HydrophobicContact CB-CD1 3.72Å; A400-I412 HydrophobicContact CB-CG1 3.93Å; I412-V414 HydrophobicContact CG2-CG2 4.12Å
413W93.8Very high88.6Confident0 Ų068.2 Ų68.20%036%0.357CS..EExtended strand (participates in β ladder)trans-126.2101.7-174.6-169.7-80.1000108T320 L326 I363 L370 T378 Y381 S395 A397 I411 N415T320-W413 PolarHBondContact N-O 2.9Å; T320-W413 PolarHBondContact O-N 3.32Å; T320-W413 PolarHBondContact OG1-O 2.85Å; L326-W413 HydrophobicContact CD1-CH2 4.4Å; L326-W413 HydrophobicContact CD1-CZ3 4.33Å; L326-W413 HydrophobicContact CD2-CE3 4.03Å; L326-W413 HydrophobicContact CD2-CZ3 3.83Å; I363-W413 HydrophobicContact CG2-CH2 4.31Å; L370-W413 HydrophobicContact CD2-CE3 4.37Å; L370-W413 HydrophobicContact CD2-CZ3 4.04Å; T378-W413 HydrophobicContact CG2-CH2 3.83Å; T378-W413 HydrophobicContact CG2-CZ2 3.71Å; Y381-W413 PolarHBondContact OH-NE1 3.44Å; S395-W413 PolarHBondContact OG-NE1 3.47Å; S395-W413 VanDerWaalsContact OG-NE1 3.12Å; A397-W413 HydrophobicContact CB-CD2 4Å; A397-W413 HydrophobicContact CB-CE3 3.32Å; A397-W413 HydrophobicContact CB-CH2 4.47Å; A397-W413 HydrophobicContact CB-CZ3 3.59Å; I411-W413 HydrophobicContact CG2-CB 4.36Å; I411-W413 HydrophobicContact CG2-CE3 3.97Å; W413-N415 PolarHBondContact NE1-OD1 3.09Å; W413-N415 VanDerWaalsContact NE1-OD1 3.1Å; W413-N415 PolarHBondContact O-ND2 3.42Å
414V93Very high89.7Confident11 Ų1168.7 Ų68.77%0.06734%0.341CS..EExtended strand (participates in β ladder)trans-94.1116.5-175.9-177.10000108.4V311 M317 V319 S395 S396 I412 Y416V311-V414 HydrophobicContact CG1-CG1 4.49Å; M317-V414 HydrophobicContact CE-CG1 3.5Å; M317-V414 VanDerWaalsContact CE-CG1 3.5Å; V319-V414 HydrophobicContact CG2-CG2 4.37Å; S395-V414 CarbonylContact C-O 3.09Å; S395-V414 WeakPolarHBondContact CA-O 3.27Å; S395-V414 WeakPolarHBondContact CB-O 3.34Å; S396-V414 PolarHBondContact N-O 3.48Å; S396-V414 PolarHBondContact O-N 2.95Å; I412-V414 HydrophobicContact CG2-CG2 4.12Å; V414-Y416 HydrophobicContact CB-CE2 4.47Å; V414-Y416 HydrophobicContact CG1-CE2 4.07Å
415N95.3Very high90.6Very high0 Ų065 Ų650%033%0.331CS..EExtended strand (participates in β ladder)trans-99.5128.8-175.5-51.3-80.9000110.2M317 F318 T320 I393 S395 W413M317-N415 VanDerWaalsContact CA-O 3.28Å; M317-N415 WeakPolarHBondContact CA-O 3.27Å; F318-N415 HydrophobicContact CD1-CB 3.89Å; F318-N415 HydrophobicContact CD2-CB 4.43Å; F318-N415 HydrophobicContact CE1-CB 3.48Å; F318-N415 VanDerWaalsContact CE1-CB 3.48Å; F318-N415 HydrophobicContact CE2-CB 4.07Å; F318-N415 VanDerWaalsContact CE2-ND2 3.27Å; F318-N415 WeakPolarHBondContact CE2-ND2 3.49Å; F318-N415 HydrophobicContact CG-CB 4.34Å; F318-N415 HydrophobicContact CZ-CB 3.56Å; F318-N415 PolarHBondContact N-O 3.02Å; F318-N415 VanDerWaalsContact N-O 3.15Å; F318-N415 WeakPolarHBondContact O-CB 3.34Å; F318-N415 PolarHBondContact O-N 2.93Å; F318-N415 PolarHBondContact O-ND2 3.35Å; T320-N415 PolarHBondContact OG1-ND2 2.98Å; I393-N415 HydrophobicContact CG2-CB 4.02Å; S395-N415 PolarHBondContact OG-OD1 3.21Å; W413-N415 PolarHBondContact NE1-OD1 3.09Å; W413-N415 VanDerWaalsContact NE1-OD1 3.1Å; W413-N415 PolarHBondContact O-ND2 3.42Å
416Y94.3Very high91.5Very high85 Ų8564.7 Ų64.733%0.33333%0.331SS..EExtended strand (participates in β ladder)trans-106.4120174-57.1-95.4000108.2M317 I393 Q394 V414M317-Y416 HydrophobicContact CE-CD1 3.91Å; M317-Y416 HydrophobicContact CE-CE1 3.37Å; M317-Y416 HydrophobicContact CG-CD1 3.8Å; M317-Y416 HydrophobicContact CG-CE1 4.23Å; M317-Y416 HydrophobicContact SD-CD1 3.78Å; M317-Y416 HydrophobicContact SD-CE1 3.62Å; I393-Y416 WeakPolarHBondContact CA-O 3.47Å; Q394-Y416 PolarHBondContact N-O 2.97Å; Q394-Y416 VanDerWaalsContact N-O 3.07Å; Q394-Y416 WeakPolarHBondContact O-CB 3.48Å; Q394-Y416 WeakPolarHBondContact O-CD2 3.42Å; Q394-Y416 PolarHBondContact O-N 2.56Å; V414-Y416 HydrophobicContact CB-CE2 4.47Å; V414-Y416 HydrophobicContact CG1-CE2 4.07Å
417L95.2Very high92.4Very high22 Ų2264.6 Ų64.612%0.11533%0.325CS..EExtended strand (participates in β ladder)trans-75.1136.2177.5-125.681.4000110.5H316 F318 Y338 I391H316-L417 HydrophobicContact CB-CB 3.93Å; H316-L417 WeakPolarHBondContact O-CB 3.4Å; H316-L417 PolarHBondContact O-N 3.2Å; F318-L417 HydrophobicContact CD1-CD1 4.33Å; F318-L417 HydrophobicContact CE1-CD1 4.03Å; Y338-L417 HydrophobicContact CD1-CD2 4.05Å; Y338-L417 HydrophobicContact CD2-CD1 4.16Å; Y338-L417 HydrophobicContact CD2-CD2 4.49Å; Y338-L417 HydrophobicContact CG-CD1 4.17Å; Y338-L417 HydrophobicContact CG-CD2 3.84Å; I391-L417 HydrophobicContact CD1-CD1 3.6Å; I391-L417 HydrophobicContact CD1-CD2 4.35Å; I391-L417 HydrophobicContact CD1-CG 3.97Å
418L96.1Very high93.3Very high86 Ų8661.6 Ų61.645%0.4531%0.307SS..  trans-116.8-25.7179.7-51.9175.1000112.9Y380 W392 Q394Y380-L418 HydrophobicContact CD1-CD1 3.37Å; Y380-L418 HydrophobicContact CE1-CD1 3.91Å; Y380-L418 HydrophobicContact CG-CD1 3.94Å; W392-L418 HydrophobicContact CB-CB 3.79Å; W392-L418 HydrophobicContact CB-CD1 4.3Å; W392-L418 WeakPolarHBondContact O-CB 3.15Å; W392-L418 PolarHBondContact O-N 3.38Å; Q394-L418 HydrophobicContact CB-CD1 4.25Å
419S96.3Very high94Very high20 Ų2060.8 Ų60.814%0.1431%0.306CS..  trans-139165.5179.380.90000112.9W392W392-S419 PolarHBondContact N-OG 3.23Å
420N95.1Very high94.3Very high127 Ų12760.8 Ų60.868%0.67931%0.309SS*.SBendtrans-79.2172.4157.9-66.2-26.5000109.9E422N420-E422 PolarHBondContact O-N 3.1Å
421P96.1Very high94.2Very high58 Ų5863.9 Ų63.938%0.37734%0.337SS..PPolyproline II helixtrans-55.1120.1176.2-30.637.9000114.6Y390 I391Y390-P421 WeakPolarHBondContact O-CA 3.36Å; I391-P421 HydrophobicContact CG2-CB 4.24Å; I391-P421 HydrophobicContact CG2-CG 3.83Å
422E97Very high94.2Very high66 Ų6664.4 Ų64.431%0.30834%0.339SS..BIsolated β-bridgetrans-101.4145.5173.8-68.6179-167.100110.1G389 Y390 W392 N420 K424G389-E422 VanDerWaalsContact CA-O 3.22Å; G389-E422 WeakPolarHBondContact CA-O 3.49Å; Y390-E422 HydrophobicContact CD2-CB 4.28Å; Y390-E422 HydrophobicContact CE2-CB 3.68Å; Y390-E422 HydrophobicContact CE2-CG 4.24Å; Y390-E422 WeakPolarHBondContact CE2-OE2 3.28Å; Y390-E422 VanDerWaalsContact CZ-OE2 3.31Å; Y390-E422 PolarHBondContact N-O 3Å; Y390-E422 PolarHBondContact O-N 3.29Å; Y390-E422 PolarHBondContact OH-OE2 3.48Å; W392-E422 PolarHBondContact NE1-OE1 3.45Å; W392-E422 PolarHBondContact NE1-OE2 2.94Å; N420-E422 PolarHBondContact O-N 3.1Å; E422-K424 PolarHBondContact O-N 3.24Å
423Y96.2Very high94.1Very high148 Ų14867.4 Ų67.458%0.5836%0.355SS*.SBendtrans52.527.5176.3-56.9-79.7000115.9G389 Y390 D425 T426G389-Y423 WeakPolarHBondContact CA-O 3.38Å; G389-Y423 PolarHBondContact N-O 3.38Å; Y390-Y423 AromaticContact CE1-CD2 3.92Å; Y390-Y423 HydrophobicContact CE1-CD2 3.92Å; Y390-Y423 AromaticContact CZ-CD2 3.88Å; Y390-Y423 WeakPolarHBondContact OH-CD2 3.18Å; Y390-Y423 WeakPolarHBondContact OH-CE2 3.3Å; Y423-D425 PolarHBondContact O-N 2.86Å; Y423-T426 PolarHBondContact O-N 3.1Å
424K93.9Very high93.2Very high112 Ų11272.3 Ų72.349%0.48739%0.387SS..THydrogen-bonded Turntrans-47.5-27.4-176.658160-17489.10116.5G388 E422 T426G388-K424 CarbonylContact C-O 3.47Å; G388-K424 WeakPolarHBondContact CA-O 3.27Å; E422-K424 PolarHBondContact O-N 3.24Å; K424-T426 VanDerWaalsContact C-N 3.32Å
425D93.5Very high91.6Very high127 Ų12780.8 Ų80.868%0.67943%0.425SS*.THydrogen-bonded Turntrans-89.23.4-176.6-53.1-63.4000112.7Y423Y423-D425 PolarHBondContact O-N 2.86Å
426T92.9Very high89.8Confident68 Ų6885 Ų8542%0.41745%0.447SS..SBendtrans-121114.4-179.5-56.80000110.7G388 G389 Y423 K424 M428G388-T426 CarbonylContact C-O 3.59Å; G388-T426 WeakPolarHBondContact CA-O 3.46Å; G389-T426 PolarHBondContact N-O 2.64Å; Y423-T426 PolarHBondContact O-N 3.1Å; K424-T426 VanDerWaalsContact C-N 3.32Å; T426-M428 HydrophobicContact CG2-CE 3.73Å; T426-M428 HydrophobicContact CG2-SD 4.07Å
427P94.3Very high87.8Confident66 Ų6686.2 Ų86.243%0.42947%0.466SS..  trans-73133.9172.729.9-33.1000110.8Q432 L433P427-Q432 HydrophobicContact CB-CB 4.01Å; P427-L433 HydrophobicContact CB-CD2 3.82Å; P427-L433 HydrophobicContact CG-CD2 3.74Å
428M94.5Very high85.3Confident80 Ų8094.3 Ų94.339%0.39450%0.503SS..  trans-109.7-27.8-179.4-53.6-61.5179.100112.2M384 T426M384-M428 HydrophobicContact SD-CB 4.26Å; T426-M428 HydrophobicContact CG2-CE 3.73Å; T426-M428 HydrophobicContact CG2-SD 4.07Å
429D94.6Very high82.8Confident57 Ų5799.5 Ų99.531%0.30552%0.522SS..SBendtrans-128.4156.5178179.9-106.4000111.9M384 A431 Q432M384-D429 HydrophobicContact CE-CB 3.73Å; M384-D429 HydrophobicContact SD-CB 3.84Å; D429-A431 PolarHBondContact O-N 2.79Å; D429-A431 WeakPolarHBondContact OD1-CB 3.43Å; D429-A431 PolarHBondContact OD1-N 2.82Å; D429-Q432 WeakPolarHBondContact O-CB 3.49Å; D429-Q432 PolarHBondContact O-N 3.45Å
430I92.3Very high79.8Confident108 Ų108104 Ų10455%0.55455%0.549SS*.G310 helixtrans-56.9-32.4177.9-168.1166.8000112.8Q432 L433 L436I430-Q432 PolarHBondContact O-N 3.2Å; I430-Q432 VanDerWaalsContact O-N 3.15Å; I430-L433 PolarHBondContact O-N 2.82Å; I430-L436 HydrophobicContact CD1-CD1 4.27Å; I430-L436 HydrophobicContact CD1-CD2 4.39Å; I430-L436 HydrophobicContact CG1-CD1 3.48Å; I430-L436 VanDerWaalsContact CG1-CD1 3.48Å; I430-L436 HydrophobicContact CG1-CD2 4.34Å; I430-L436 WeakPolarHBondContact O-CD1 3.26Å
431A88.8Confident77.1Confident78 Ų78104.2 Ų104.265%0.64556%0.56SS**G310 helixtrans-67.2-10.5177.200000114.4D429D429-A431 PolarHBondContact O-N 2.79Å; D429-A431 WeakPolarHBondContact OD1-CB 3.43Å; D429-A431 PolarHBondContact OD1-N 2.82Å
432Q92.8Very high74.4Confident12 Ų12109.5 Ų109.56%0.05658%0.58CS.*G310 helixtrans-94.8-3.9177.2-57-175.7-4700113.2Q385 G389 P427 D429 I430Q385-Q432 WeakPolarHBondContact O-CG 3.41Å; Q385-Q432 PolarHBondContact O-NE2 2.96Å; G389-Q432 PolarHBondContact O-NE2 3.4Å; P427-Q432 HydrophobicContact CB-CB 4.01Å; D429-Q432 WeakPolarHBondContact O-CB 3.49Å; D429-Q432 PolarHBondContact O-N 3.45Å; I430-Q432 PolarHBondContact O-N 3.2Å; I430-Q432 VanDerWaalsContact O-N 3.15Å
433L89.8Confident71.5Confident84 Ų84111.3 Ų111.344%0.4460%0.6SS.*SBendtrans-89126.2-178.9-65.2177.3000111.7P427 I430 L436P427-L433 HydrophobicContact CB-CD2 3.82Å; P427-L433 HydrophobicContact CG-CD2 3.74Å; I430-L433 PolarHBondContact O-N 2.82Å; L433-L436 HydrophobicContact CB-CD1 4.13Å
434P76.1Confident68.6Low103 Ų103110.2 Ų110.267%0.66961%0.614SS**THydrogen-bonded Turntrans-69.5147.2174.429.5-34.5000111.5L436P434-L436 PolarHBondContact O-N 2.98Å
435H57.7Low65.9Low189 Ų189112.9 Ų112.988%0.87563%0.628SS**THydrogen-bonded Turntrans62.733.4172.7-52.8-60.5000117
436L59.1Low63.5Low88 Ų88113 Ų11346%0.46163%0.633SS.*  trans-64.5135.4152.7-72.6158000109.3I430 L433 P434 E438I430-L436 HydrophobicContact CD1-CD1 4.27Å; I430-L436 HydrophobicContact CD1-CD2 4.39Å; I430-L436 HydrophobicContact CG1-CD1 3.48Å; I430-L436 VanDerWaalsContact CG1-CD1 3.48Å; I430-L436 HydrophobicContact CG1-CD2 4.34Å; I430-L436 WeakPolarHBondContact O-CD1 3.26Å; L433-L436 HydrophobicContact CB-CD1 4.13Å; P434-L436 PolarHBondContact O-N 2.98Å; L436-E438 PolarHBondContact O-N 3.33Å
437P50.7Low60.7Low111 Ų111115 Ų11572%0.72165%0.65SS**  trans-66.3134.7172.228.1-33.2000109.4K439P437-K439 PolarHBondContact O-N 3.47Å
438E43.2Very low58Low193 Ų193119.3 Ų119.390%0.90267%0.67SS**  trans-59.7106.8169-69.4-175.212900108.6L436 T440L436-E438 PolarHBondContact O-N 3.33Å; E438-T440 PolarHBondContact O-N 2.9Å; E438-T440 VanDerWaalsContact O-N 3.13Å
439K43.1Very low55.2Low194 Ų194120.5 Ų120.584%0.84369%0.686SS**  trans-65.4113.3162.7-77.8-169.1174.3-173.80106.7P437 S441P437-K439 PolarHBondContact O-N 3.47Å; K439-S441 PolarHBondContact O-N 3.23Å
440T35.1Very low52.3Low115 Ų115127.4 Ų127.471%0.70672%0.716SS**  trans-49.9122.6175.540.40000110E438 E442E438-T440 PolarHBondContact O-N 2.9Å; E438-T440 VanDerWaalsContact O-N 3.13Å; T440-E442 PolarHBondContact O-N 3.02Å
441S38Very low49.5Very low131 Ų131127.4 Ų127.492%0.91673%0.726SS**  trans-71.969.5-179.2-54.70000111.4K439K439-S441 PolarHBondContact O-N 3.23Å
442E39.1Very low46.7Very low170 Ų170132 Ų13279%0.79474%0.739SS**  trans-71148.7169.5-64.7-165.4144.200110.5T440 S444T440-E442 PolarHBondContact O-N 3.02Å; E442-S444 PolarHBondContact O-N 3.28Å
443S36.8Very low43.9Very low103 Ų103137.1 Ų137.172%0.7278%0.777SS**  trans-57124.9-16743.50000113.8E445S443-E445 PolarHBondContact O-N 3.12Å
444S35.1Very low41.4Very low125 Ų125142.6 Ų142.687%0.87480%0.797SS**  trans-72.875.5161.764.50000110.4E442E442-S444 PolarHBondContact O-N 3.28Å
445E37.5Very low39.2Very low169 Ų169145.6 Ų145.679%0.7981%0.807SS**  trans-72.4146.6158.7-66.2-158.9133.200109.5S443S443-E445 PolarHBondContact O-N 3.12Å
446T42.2Very low38Very low128 Ų128143 Ų14379%0.78581%0.805SS**  trans-78.3130.3-175.647.60000110.9
447S34.2Very low36.8Very low111 Ų111144.7 Ų144.778%0.77682%0.824SS**  trans-147.996.3161.4-75.60000109
448D37.2Very low35.8Very low157 Ų157142.8 Ų142.884%0.8482%0.824SS**  trans-64.1138.4167.4-61.5-67.5000109.2
449S35.6Very low35.4Very low104 Ų104141 Ų14173%0.72782%0.82SS**  trans-151.584.2175-74.50000109S451S449-S451 PolarHBondContact O-N 3.37Å
450E34Very low35Very low203 Ų203137.4 Ų137.495%0.94981%0.814SS**  trans-57.3132171.3-61.4-172.2124.600109.7
451S33.6Very low35Very low108 Ų108140.2 Ų140.276%0.75582%0.819SS**  trans-142.993.2174.932.10000109.2S449 S453S449-S451 PolarHBondContact O-N 3.37Å; S451-S453 PolarHBondContact O-N 2.86Å
452D30.6Very low34.6Very low174 Ų174141.3 Ų141.393%0.9382%0.815SS**  trans-55118171.8-95.2-39.1000110.3
453S33.2Very low34.3Very low120 Ų120139.7 Ų139.784%0.83981%0.811SS**  trans-104.5117.4163.654.10000109.2S451S451-S453 PolarHBondContact O-N 2.86Å
454K36.9Very low34.2Very low199 Ų199142 Ų14287%0.86581%0.811SS**  trans-122.8101.3-176.1-161.9172-167.8168.10109.8T456K454-T456 PolarHBondContact O-N 3.16Å
455D30.7Very low33.9Very low166 Ų166142 Ų14289%0.88880%0.801SS**  trans-58.4131.8177.5-76.4-53.9000111.9
456T31.7Very low33.8Very low135 Ų135137.9 Ų137.983%0.82879%0.791SS**  trans-150133.6150.2-57.90000108.6K454K454-T456 PolarHBondContact O-N 3.16Å
457S34.1Very low33.2Very low122 Ų122141.2 Ų141.285%0.85380%0.795SS**  trans-87.4154.1-171.848.80000113.6
458G30.1Very low33Very low71 Ų71140.7 Ų140.773%0.73279%0.791SS**  trans-178.875.2177.700000118.5
459I35.6Very low32.6Very low156 Ų156139.4 Ų139.480%0.878%0.784SS**  trans54.396.5133.9-59178.3000119.2
460T33.1Very low32.4Very low119 Ų119141.4 Ų141.473%0.7378%0.782SS**  trans51.7158.813163.90000124.9
461E35.5Very low32.1Very low173 Ų173140.4 Ų140.481%0.80877%0.774SS**  trans9084.7159.6-51.3-160.2164.500118.9
462D30.3Very low31.9Very low154 Ų154139.1 Ų139.182%0.82478%0.778SS**  54.8108.1111.8-66.413.9000121.8
463N32.3Very low31.7Very low136 Ų136137.2 Ų137.273%0.72777%0.768SS**  89.1152.1117.4-161.230.4000120.1
464E34.3Very low31.6Very low153 Ų153139.3 Ų139.372%0.71577%0.765SS**  trans69.8140.1167.2-57.3-131-169.500118.8
465N29.9Very low31.3Very low125 Ų125134 Ų13467%0.66875%0.753SS**  cis-161.2142.4-18.3-171.45.4000111.1
466S34.2Very low31.3Very low82 Ų82132.9 Ų132.957%0.57374%0.742SS**  trans19.1130.1155.3-61.70000123.3
467K29.2Very low31.1Very low198 Ų198133.4 Ų133.486%0.86174%0.74SS**  trans71.4159.4134.2-65.7173.9-178.6176.30117.5
468S31.3Very low31.1Very low100 Ų100132.2 Ų132.270%0.69973%0.732SS**  cis-137.11748.2620000114.1
469D28.6Very low31Very low130 Ų130138 Ų13870%0.69574%0.739SS**  trans-22.7160.4141.5-41.1-96000115.1
470E30.4Very low30.8Very low145 Ų145137.6 Ų137.668%0.67874%0.739SS**  cis-161.8170.236.5-160.3169.2126.200114.7
471K29.4Very low31.5Very low182 Ų182137.2 Ų137.279%0.79174%0.739SS**  trans-10.4148.3165.9-56.7155.1-162.41530119.6
472G28.1Very low31.2Very low81 Ų81136.4 Ų136.484%0.83574%0.735SS**  trans176.297.5151.500000113.7
473N27.6Very low32.2Very low134 Ų134133.7 Ų133.772%0.71773%0.726SS**  trans-122.4145.4179.6-165.924.7000110.3
474Q29.6Very low32.4Very low165 Ų165131.6 Ų131.677%0.77171%0.714SS**  trans64.8155.7171.5-66.2156.7-17.400115.8
475S31.6Very low32.4Very low88 Ų88133 Ų13362%0.61571%0.713SS**  cis-163.1-160.7-22.753.20000107.4
476E30Very low32.6Very low142 Ų142135 Ų13566%0.66472%0.716SS**  cis-164.4173.912.1-154.368.9-89.900109.2
477N28.4Very low32.3Very low145 Ų145140.1 Ų140.178%0.77573%0.728SS**  trans70.5150.3157.3-65.4-32.5000119
478S32.8Very low32.3Very low98 Ų98136 Ų13669%0.68572%0.724SS**  cis-160.5170.2-10.9450000107.6
479E27.9Very low32Very low191 Ų191134.8 Ų134.889%0.89373%0.728SS**  cis-151.2177.743.6-68.8-178.3115.300114.3
480D31.5Very low31.9Very low148 Ų148136.4 Ų136.479%0.79174%0.736SS**  trans-89.8-170.3-170.7-138.923.4000111.7
481P49.5Very low31.6Very low112 Ų112133.5 Ų133.573%0.72774%0.737SS**  cis-136.91656.240-19.6000120
482E28.7Very low31.4Very low155 Ų155129.9 Ų129.972%0.72473%0.733SS**  trans-88.1-150.8166.3-135.7-154.8-141.700110
483P51.8Low31.2Very low97 Ų97131.8 Ų131.863%0.6373%0.725SS**  cis-140.3169.48.245.4-26.4000119.5
484D35.3Very low31.3Very low92 Ų92132 Ų13249%0.49273%0.725SS.*  trans63.3155.5141.3-73.6-22000121.8
485R35.2Very low31.3Very low183 Ų183130.6 Ų130.669%0.69172%0.723SS**  cis-170.3160.8-7.5-107.2169.7-164.7151.528109.1
486K33.1Very low31.2Very low166 Ų166134.1 Ų134.172%0.72273%0.732SS**  cis-167.2172.7-12.8-139.6167.6-159.3150.10109.9
487K29.4Very low31.1Very low191 Ų191134 Ų13483%0.8374%0.736SS**  trans83.3102.7151.9-112.6-163176.5-171.70121.9
488S28.6Very low31Very low110 Ų110131.5 Ų131.577%0.76973%0.729SS**  50.8121.612765.50000122.6
489G25Very low31.1Very low76 Ų76134.1 Ų134.178%0.78474%0.735SS**  trans178.4141158.800000113.9
490N25.9Very low31.3Very low164 Ų164132.1 Ų132.188%0.87773%0.73SS**  trans-60.4151.5-175.9-63.3-10.5000116.2
491A24.9Very low31.3Very low84 Ų84132.4 Ų132.469%0.69473%0.732SS**  trans51.9147.2130.100000123.9
492C24.7Very low30.4Very low106 Ų106130.1 Ų130.172%0.71673%0.729SS**  trans64.6164145.269.60000121.6
493D24.3Very low30.6Very low121 Ų121131.3 Ų131.365%0.64773%0.734SS**  trans70.1119.7166.4-59.1-48.8000116.8
494N28.3Very low29.7Very low137 Ų137131.5 Ų131.573%0.73374%0.737SS**  71.1140.470.9-63.9-41.2000110.9
495D29.6Very low29.6Very low137 Ų137132.2 Ų132.273%0.73375%0.75SS**  cis-155.4-169.236.7-142.5-38.4000113.2
496M29.1Very low29.4Very low162 Ų162128.8 Ų128.880%0.79875%0.754SS**  trans87.3125.8170-51.7-69.3164.900116.4
497N28Very low29.3Very low139 Ų139128.2 Ų128.274%0.74376%0.759SS**  cis-164.5-179.2-10.7-164.45.9000109.8
498C28.2Very low30.5Very low92 Ų92124.2 Ų124.262%0.62275%0.752SS**  trans97.9114.3158-55.10000118.6
499N33.2Very low30.5Very low153 Ų153125.7 Ų125.782%0.81875%0.752SS**  trans72.7138.3147.9-53.812.7000117.6
500D32.2Very low31Very low149 Ų149127 Ų12780%0.79775%0.749SS**  cis-157.9162.5-17.3-152.417.1000108
501D32.1Very low31.4Very low154 Ų154129.4 Ų129.482%0.82475%0.745SS**  trans-47.6151.2-172.2-59.5-34.5000115.6
502G31.3Very low31.8Very low64 Ų64132 Ų13266%0.6675%0.747SS**  cis123.7135.226.700000108.7
503H31.3Very low32.2Very low181 Ų181133 Ų13384%0.83876%0.755SS**  cis-151.915412.1-72.5-83.1000114.1
504S33.6Very low32.6Very low100 Ų100134.9 Ų134.970%0.69977%0.766SS**  trans36.6114.2135.9-500000125.2
505S33.2Very low32.8Very low107 Ų107135.5 Ų135.575%0.74877%0.769SS**  73146.911875.60000125.2
506S32Very low33Very low111 Ų111132.6 Ų132.678%0.77676%0.759SS**  trans95.7149.2143.374.50000121.7
507N30.7Very low33Very low155 Ų155133.8 Ų133.883%0.82976%0.76SS**  trans-82.6-176.5169.3-43.5-41.6000109.8
508P54.4Low33.1Very low107 Ų107135.4 Ų135.470%0.69576%0.764SS**  cis-137.4-155.6-2.938.2-15.4000113.9
509D28.3Very low33.4Very low141 Ų141139.3 Ų139.375%0.75477%0.772SS**  trans83.2110.6149.3-79.5-31.5000124
510S35.3Very low33.1Very low103 Ų103138 Ų13872%0.7278%0.775SS**  97.2126.7122.279.10000122.8
511R35.7Very low32.9Very low215 Ų215137.4 Ų137.481%0.81177%0.772SS**  trans69.4115.5141.3-71.4-169158.4134.4-1.8123.5
512D31.8Very low32.9Very low137 Ų137139.3 Ų139.373%0.73377%0.773SS**  53.5114.8116.5-42.1-20.7000120.5
513S34.6Very low32.6Very low127 Ų127145.3 Ų145.389%0.88878%0.784SS**  trans-156.5126.9139.3-74.70000109.7
514D32.7Very low32.7Very low162 Ų162143.6 Ų143.687%0.86678%0.781SS**  trans-89.3-163.7174.8-94.2-58000111.2
515D30.6Very low32.9Very low150 Ų150143.2 Ų143.280%0.80278%0.776SS**  trans83.2138.3170.7-78.6-30.7000118.3
516S34.1Very low32.7Very low75 Ų75147.6 Ų147.652%0.52478%0.782SS.*  cis-171.7150.4-18.3-123.60000112.5
517F30.1Very low32.4Very low187 Ų187147.2 Ų147.282%0.8279%0.785SS**  trans49.3170.1155.9-65.7-70.4000119.2
518E30.3Very low32.3Very low174 Ų174142.9 Ų142.981%0.81378%0.778SS**  cis-145.7-177-1-144.7165.2-14800112
519H33Very low31.1Very low173 Ų173147.3 Ų147.380%0.80179%0.789SS**  trans-79.3161177.5-76.9-103000114.4
520S28.1Very low31Very low125 Ų125148.4 Ų148.487%0.87480%0.795SS**  trans-159.7154.3134.628.60000112.6
521D28.2Very low30.7Very low138 Ų138146 Ų14674%0.73879%0.786SS**  trans-106.5157.9-176.8-104.1-58.5000111.8
522F31.8Very low30.4Very low194 Ų194146 Ų14685%0.85179%0.793SS**  trans43.5113154.5-88.1-97.3000120.6
523E24.6Very low30.3Very low189 Ų189143.1 Ų143.188%0.88380%0.795SS**  trans-148.6150.3132.5-135.3-177.9-168.400112.8
524N34.3Very low30Very low146 Ų146142.1 Ų142.178%0.78179%0.794SS**  trans-163.1122.7172.5174.2-4.4000110.4
525P37.8Very low29.9Very low92 Ų92143 Ų14360%0.59780%0.798SS**  trans-144.8126.1147.633.4-15.4000116
526K27.3Very low29.9Very low198 Ų198139 Ų13986%0.86179%0.793SS**  trans71.6159154.1-53.4158.5-175.2169.30115.8
527A27.6Very low29.7Very low103 Ų103141.8 Ų141.885%0.85181%0.809SS**  cis-169.2159.5-2600000106.5
528G27.3Very low29.5Very low65 Ų65142 Ų14267%0.6782%0.815SS**  cis-179.1-166-0.100000110.2
529E28.5Very low29.3Very low200 Ų200142.6 Ų142.694%0.93582%0.818SS**  trans66116.3176.6-53.6-172.6129.500116
530D27.4Very low29.1Very low164 Ų164142.8 Ų142.888%0.87782%0.823SS**  cis-147.6-147.5-11.1-159.533.6000107.5
531G29.2Very low28.9Very low52 Ų52144.1 Ų144.154%0.53681%0.813SS.*  cis171.7-158.83.700000115.8
532F29.9Very low28.8Very low215 Ų215143.5 Ų143.594%0.94381%0.814SS**  trans4297173.9-82.6-79.6000119.7
533G29.2Very low28.5Very low76 Ų76141.1 Ų141.178%0.78481%0.805SS**  80.278.9114.900000119.4
534A28.1Very low28.5Very low106 Ų106142.8 Ų142.888%0.87680%0.803SS**PPolyproline II helixtrans-77.3140.817000000113.9
535L30.8Very low28.1Very low180 Ų180147 Ų14794%0.94281%0.81SS**PPolyproline II helixtrans-98.6145.9166-71.7175.5000111.4
536G30.2Very low27.6Very low67 Ų67148.5 Ų148.569%0.69182%0.818SS**PPolyproline II helixtrans-91.5163-173.300000115.2
537P30.3Very low27.5Very low133 Ų133147.5 Ų147.586%0.86482%0.816SS**PPolyproline II helixtrans-75134.9-174.930.3-35.5000113
538M26.3Very low27.4Very low193 Ų193148.5 Ų148.595%0.95182%0.816SS**PPolyproline II helixtrans-84.8143.4174.3-126.9175.3-177.500111.4
539Q26.4Very low27.4Very low186 Ų186154.5 Ų154.587%0.86983%0.827SS**  trans-107.4125.5176-59.1-170.3-62.300110.1
540I27.7Very low27.3Very low177 Ų177150.6 Ų150.691%0.90882%0.822SS**  trans-81.6138.9172.2-64.1177000109.4
541K24.8Very low27.3Very low152 Ų152150.1 Ų150.166%0.66182%0.82SS**  trans-108.9137.3-172.4177.3-162.9166.6-158.90110.2E543K541-E543 HydrophobicContact CD-CG 4.46Å; K541-E543 WeakPolarHBondContact CE-OE1 3.36Å; K541-E543 IonicContact NZ-OE1 2.77Å; K541-E543 PolarHBondContact NZ-OE1 2.87Å
542V25.5Very low27.1Very low125 Ų125154.4 Ų154.476%0.75883%0.829SS**  trans-73.9132.4168.7176.50000110.2
543E25.1Very low26.9Very low144 Ų144153.3 Ų153.367%0.67382%0.819SS**  trans-118.8151161.1-58.1-154.8141.400109.8K541K541-E543 HydrophobicContact CD-CG 4.46Å; K541-E543 WeakPolarHBondContact CE-OE1 3.36Å; K541-E543 IonicContact NZ-OE1 2.77Å; K541-E543 PolarHBondContact NZ-OE1 2.87Å
544R25.3Very low26.7Very low224 Ų224158 Ų15885%0.84583%0.825SS**  trans-115.7143.7172.3-57.7-175.2-162.9-176.93.8107.9
545Y25.2Very low26.6Very low234 Ų234160.6 Ų160.692%0.91882%0.819SS**  trans-93.6167.6153.3-105.8-103.2000110.6
546V27.2Very low26.4Very low125 Ų125158.7 Ų158.776%0.75881%0.81SS**  trans-109.5148.4-162.5176.60000110.6
547E25.8Very low26.2Very low177 Ų177160.9 Ų160.983%0.82781%0.814SS**  trans-61.9149.1175.1-68.8144.5133.100111.8
548S25.6Very low26Very low123 Ų123162.8 Ų162.886%0.8681%0.811SS**  trans-132.7100.4170.7-67.90000108.7
549E26.5Very low26Very low191 Ų191158 Ų15889%0.89380%0.797SS**  trans-96.1131.7168.9-68.1-170.7130.600110.2
550S26Very low26.2Very low119 Ų119156 Ų15683%0.83279%0.791SS**  trans-168.2127.4146.639.60000109.8
551D27.8Very low26.2Very low154 Ų154153.7 Ų153.782%0.82479%0.785SS**  trans-66.3173-176.4-69-80.1000115.1
552L26.2Very low26.5Very low142 Ų142151.5 Ų151.574%0.74379%0.789SS**  155.3138.3122.7-79.6173.6000109.8
553R24.7Very low26.7Very low192 Ų192152.9 Ų152.973%0.72579%0.792SS**  cis-159.6152.2-4-155175.7-150.3158.75.9110.6
554L25.6Very low27Very low173 Ų173151 Ų15191%0.90680%0.795SS**  trans-96.6132.5160.9-84.1167.2000110.8
555Q25Very low27.5Very low161 Ų161144.5 Ų144.575%0.75279%0.789SS**  trans-158.5159.2165.2-76.5-167.9-25.600109.2
556N27.1Very low27.9Very low140 Ų140141.8 Ų141.875%0.74978%0.782SS**  cis-170.4152.5-33.4-173.827.5000107.6
557C26.8Very low28Very low114 Ų114142 Ų14277%0.7778%0.779SS**  trans168.4124.2162.1-99.80000107.4
558E25.6Very low28.5Very low173 Ų173138 Ų13881%0.80877%0.77SS**  cis-144.7-162.3-0.5-63.9-170.259.900108.3
559S27.2Very low28.6Very low93 Ų93139.1 Ų139.165%0.6577%0.767SS**  cis-158.1169.97.170.60000114.2
560L29.3Very low29Very low142 Ų142135 Ų13574%0.74376%0.759SS**  trans40.8116.9151.1-65.1172.4000123.1
561T29.1Very low29.3Very low129 Ų129134.2 Ų134.279%0.79176%0.759SS**  trans68.7139.4139.554.60000120.5
562S30.8Very low29.3Very low107 Ų107130.3 Ų130.375%0.74876%0.756SS**  cis-166.1148.9-4.649.30000114.4
563D28.4Very low29.5Very low153 Ų153132.8 Ų132.882%0.81876%0.763SS**  trans80.7140.3145.8-133.7-17.7000123.2
564S32.7Very low29.8Very low106 Ų106128.5 Ų128.574%0.74177%0.769SS**  trans63.5147.8165.573.80000121
565A34.1Very low29.9Very low86 Ų86124.2 Ų124.271%0.71177%0.767SS**  cis-168.7154.7-29.200000110.5
566K34.4Very low30.1Very low178 Ų178121 Ų12177%0.77477%0.767SS**  trans74.2119.9160.7-63.9-164.5164.9-152.70118.7
567D29.7Very low30.2Very low130 Ų130123.4 Ų123.470%0.69577%0.774SS**  85.2133.387.5-56.1-13.9000110.9
568S35.3Very low30.3Very low91 Ų91122 Ų12264%0.63677%0.771SS**  cis-165.2160.3-5.7-117.90000110.2
569D29.2Very low30.5Very low147 Ų147118.9 Ų118.979%0.78677%0.768SS**  trans33.6151.2136.1-50-53.5000122.2
570S33.9Very low30.9Very low105 Ų105118.7 Ų118.773%0.73477%0.767SS**  cis-168.7141.44.7127.70000112.6
571A31.5Very low31Very low102 Ų102121.2 Ų121.284%0.84377%0.772SS**  trans43.6163.3135.800000125.6
572G29.5Very low31.2Very low72 Ų72123.5 Ų123.574%0.74277%0.773SS**  trans106.293.3166.500000114.5
573E30.3Very low31.4Very low194 Ų194125.5 Ų125.591%0.90777%0.771SS**  83.4134.260.7-80.5-134110.600117.8
574A30.3Very low31.7Very low103 Ų103124.9 Ų124.985%0.85176%0.761SS**  trans63.2150.7154.300000122.1
575G27.8Very low31.8Very low82 Ų82128.9 Ų128.985%0.84576%0.76SS**  trans146.789.1157.400000118.8
576A29.2Very low31.9Very low93 Ų93132.4 Ų132.477%0.76976%0.759SS**  trans-62.6151.7-175.800000120.2
577Q28.7Very low31.9Very low192 Ų192132.1 Ų132.190%0.89776%0.758SS**  trans65.9137136.4-75.6-171.9-3.400125.8
578A30.3Very low32.1Very low85 Ų85136.2 Ų136.270%0.70276%0.763SS**  trans86.699.5132.600000125.1
579S29.5Very low32Very low107 Ų107142 Ų14275%0.74877%0.771SS**  102.3119.9113.781.50000124.8
580S34.1Very low32.2Very low89 Ų89143.4 Ų143.462%0.62277%0.77SS**  99.2138.9129.590.40000123.7
581K33.2Very low32Very low194 Ų194146.3 Ų146.384%0.84377%0.765SS**  trans72155.6154.9-61.8156.8-173.41630119.5
582H32.7Very low31.9Very low177 Ų177145.2 Ų145.282%0.81974%0.743SS**  cis-169.9170.6-36.5-16235.3000110.8K584H582-K584 PolarHBondContact NE2-NZ 3.35Å
583Q34.8Very low31.9Very low150 Ų150149.7 Ų149.770%0.70174%0.742SS**  trans84.6125.7164.4-49.8-135.443.200117
584K34Very low31.6Very low140 Ų140142.6 Ų142.661%0.60972%0.721SS**  92.4147.451.9-73.7161.9-179.3160.90112H582H582-K584 PolarHBondContact NE2-NZ 3.35Å
585R34.7Very low31.5Very low189 Ų189142 Ų14271%0.71372%0.724SS**  cis-171.4143.912.6-124.6165.162.8160.4-2.1114.7
586K36.8Very low31.4Very low161 Ų161143.9 Ų143.970%0.773%0.725SS**  trans63.5162.7137-79.4178.3-173.61770121.7
587K35Very low31.4Very low171 Ų171144.1 Ų144.174%0.74373%0.726SS**  cis-176.9160.8-29.2-135.8-177.3178.8176.10113.1
588R32.6Very low31.2Very low217 Ų217139.8 Ų139.882%0.81972%0.718SS**  trans76.2166.6149.4-69.4167.976.2151.73.7122.7
589R34.9Very low31.1Very low211 Ų211146.8 Ų146.880%0.79673%0.726SS**  cis179.4171.5-43.6-142.4-178.5-176.6-167.92114.2
590K32.1Very low31.1Very low177 Ų177153.6 Ų153.677%0.7774%0.735SS**  trans64.4134.6157.8-169.5-172.1176.8-178.50120.3R15R15-K590 WeakPolarHBondContact CD-O 2.88Å; R15-K590 PolarHBondContact NE-O 3.33Å
591R30.9Very low30.8Very low166 Ų166160.9 Ų160.963%0.62675%0.749SS**  cis-142.7-81.7-19.4-157.5-157.5-172.9-167.116.2113.5Q19Q19-R591 PolarHBondContact NE2-O 2.82Å
592Q28.9Very low30.6Very low80 Ų80159.8 Ų159.837%0.37475%0.752SS.*  trans-129.7-176.4-165.6-67.4-169.9-98.400112P12 E16P12-Q592 CarbonylContact C-O 3.48Å; P12-Q592 VanDerWaalsContact C-O 3.24Å; P12-Q592 VanDerWaalsContact CA-O 3.3Å; P12-Q592 WeakPolarHBondContact CA-O 3.19Å; P12-Q592 WeakPolarHBondContact CB-O 3.09Å; P12-Q592 CarbonylContact O-C 3.25Å; P12-Q592 VanDerWaalsContact O-C 3.25Å; E16-Q592 HydrophobicContact CG-CB 4.46Å; E16-Q592 HydrophobicContact CG-CG 4.48Å; E16-Q592 WeakPolarHBondContact OE1-CB 3.3Å; E16-Q592 WeakPolarHBondContact OE1-CG 3.27Å; E16-Q592 PolarHBondContact OE1-NE2 2.71Å
593K28.3Very low30.3Very low165 Ų165156 Ų15672%0.71775%0.745SS**  cis-158.2143.221.1-177.7-168.4173.4-173.40113.7P12 E16P12-K593 PolarHBondContact O-N 2.77Å; E16-K593 VanDerWaalsContact CD-CA 3.48Å; E16-K593 VanDerWaalsContact OE2-C 3.29Å; E16-K593 WeakPolarHBondContact OE2-CA 3.34Å
594G25.6Very low29.9Very low46 Ų46154.4 Ų154.447%0.47475%0.75SS.*  trans93.7152.8136.400000122.2E16E16-G594 PolarHBondContact OE2-N 3.46Å
595G27.6Very low29.5Very low89 Ų89152.1 Ų152.192%0.91876%0.757SS**  trans145.5149.4168.100000115.6
596S26.1Very low29.2Very low123 Ų123148.9 Ų148.986%0.8676%0.764SS**  trans-137.3174.8-176.8-168.80000113.3
597A27.9Very low29.2Very low97 Ų97146.8 Ų146.880%0.80277%0.77SS**  trans65.8160.8172.800000117.3
598S26.2Very low29.6Very low102 Ų102145.1 Ų145.171%0.71378%0.776SS**  cis-163.5166.4-31-175.60000109.6
599R28.2Very low29.5Very low232 Ų232138.6 Ų138.688%0.87578%0.777SS**  trans10.9130.1168.7-63.3176.4-171.9-173.13.3119.7
600R28.2Very low29.2Very low250 Ų250131.8 Ų131.894%0.94377%0.772SS**  -169.2141.6106.2-99.7165.4-161.4-155.73.8111.9
601R28.9Very low29.4Very low241 Ų241131.3 Ų131.391%0.90978%0.777SS**  trans-79.9151.9156.3-73.9-178.9173-175.3-2.2108.1
602L28.1Very low29.4Very low172 Ų172130.5 Ų130.590%0.90179%0.785SS**  -164163.4117.6-105.9168.9000110.2
603S25.7Very low29.8Very low98 Ų98130.5 Ų130.569%0.68580%0.799SS**  trans-125.5143.3-173.251.20000110.1
604S26.5Very low29.9Very low115 Ų115126.2 Ų126.280%0.80480%0.801SS**  167.1155.3119.358.70000113.7
605A26.4Very low30.4Very low92 Ų92131.4 Ų131.476%0.7682%0.818SS**  trans30.7124.4149.900000121.7
606S28.8Very low30.5Very low122 Ų122133 Ų13385%0.85381%0.809SS**  -171.1122.810427.20000113.3
607S36.4Very low30.7Very low117 Ų117134.6 Ų134.682%0.81880%0.803SS**  trans-99.3159145.8-47.90000106.9
608P44Very low32.1Very low135 Ų135134.4 Ų134.488%0.87779%0.793SS**  -135.8-173.772.530.7-10.2000111.3
609G29.1Very low33.7Very low81 Ų81134.1 Ų134.184%0.83579%0.789SS**  cis165.8169.74.300000106.8
610G30.1Very low34Very low68 Ų68133.1 Ų133.170%0.70179%0.786SS**  cis175.4-159.7-0.300000109.3
611L35.1Very low34.2Very low167 Ų167127.8 Ų127.887%0.87478%0.775SS**  trans74.3140166.2-49.8-179.4000116.9
612D31.2Very low34.2Very low148 Ų148123.4 Ų123.479%0.79177%0.769SS**  cis-151.9175-7.9-145.9-9.4000114.6
613A37.2Very low34.1Very low81 Ų81120.1 Ų120.167%0.66976%0.76SS**  trans-13.4149.4173.800000121
614G30.1Very low34.3Very low74 Ų74120.7 Ų120.776%0.76376%0.764SS**  cis175.2-159.66.300000110.8
615L36Very low35.5Very low156 Ų156120.2 Ų120.282%0.81776%0.758SS**  cis-169.6173.1-7.9-126.6175.3000109.3
616V30.3Very low35.8Very low122 Ų122122.9 Ų122.974%0.73976%0.76SS**  trans72137.4168.2169.30000115.1
617E29.4Very low35.9Very low156 Ų156123 Ų12373%0.72976%0.76SS**  cis81.7160.328.5-82.8-80.480.100116.2
618P59.1Low35.6Very low93 Ų93121.6 Ų121.660%0.60476%0.756SS**  cis-119.8-131.7-27.936.5-15.8000108.4
619P59.5Low34.9Very low96 Ų96120.6 Ų120.662%0.62375%0.752SS**  cis-133.6117.9-31.431.5-9.9000115.6
620R34.7Very low34.9Very low212 Ų212123.4 Ų123.480%0.875%0.753SS**  trans69.6147.7148.1-47.4-47.1169.7118.5-11.5118.5
621L31.5Very low34.8Very low137 Ų137127.7 Ų127.772%0.71776%0.759SS**  cis-161.1-177.8-11.9-106.1171000106.2
622L28.3Very low34.4Very low150 Ų150129.8 Ų129.879%0.78576%0.761SS**  cis-148.1-158.18.2-128.9-177.1000105.2
623S26.3Very low34.4Very low103 Ų103129.8 Ų129.872%0.7276%0.76SS**  cis-159.9175.6-948.80000109.6
624S31Very low33.9Very low109 Ų109133.7 Ų133.776%0.76276%0.761SS**  trans-160.8163.4167.3-172.60000109.7
625P50.3Low34Very low106 Ų106135.4 Ų135.469%0.68876%0.758SS**  -153.9156.5110.839.1-21.9000118
626N32.6Very low33.6Very low147 Ų147135.5 Ų135.579%0.78675%0.754SS**  trans40143135.7-54.4-11.8000121.1
627S30.9Very low33.5Very low124 Ų124136.9 Ų136.987%0.86776%0.755SS**  cis-150.3-167.449.5-58.70000113.8
628A30.2Very low33.4Very low89 Ų89134.4 Ų134.474%0.73676%0.755SS**  trans-148.8159.8-159.800000117.4
629S30Very low31.7Very low113 Ų113138.6 Ų138.679%0.7977%0.767SS**  trans75.3136.5148.872.40000122.1
630V28.2Very low31Very low141 Ų141138.8 Ų138.886%0.85577%0.768SS**  -171.6157.2118.3142.70000110.4
631L28.2Very low30.7Very low157 Ų157135.5 Ų135.582%0.82277%0.765SS**  trans-113.6148-174.1-66.4157.4000112.5
632K28.1Very low30.4Very low211 Ų211135.2 Ų135.292%0.91776%0.764SS**  -167.6163.8125.8-112.3169.2-177175.50114.4
633I31.2Very low30.4Very low149 Ų149136.5 Ų136.576%0.76476%0.764SS**  trans-123.9143-174.3-60.8161.1000108.2T635I633-T635 HydrophobicContact CG2-CG2 4.44Å
634K27.1Very low30.5Very low162 Ų162138.7 Ų138.770%0.70477%0.767SS**  trans-142121.2143-158.4-171.1-179.7-152.80110.8E636K634-E636 WeakPolarHBondContact CE-OE1 3.48Å; K634-E636 IonicContact NZ-OE1 2.64Å; K634-E636 PolarHBondContact NZ-OE1 2.64Å; K634-E636 IonicContact NZ-OE2 2.78Å; K634-E636 PolarHBondContact NZ-OE2 3.48Å
635T31.1Very low30.4Very low111 Ų111139.7 Ų139.768%0.68176%0.764SS**  trans-108147.7165.648.70000108.6I633I633-T635 HydrophobicContact CG2-CG2 4.44Å
636E27.2Very low29.3Very low158 Ų158141.3 Ų141.374%0.73877%0.767SS**  trans-140.1139.9171.1-145139.6-12200109.4K634K634-E636 WeakPolarHBondContact CE-OE1 3.48Å; K634-E636 IonicContact NZ-OE1 2.64Å; K634-E636 PolarHBondContact NZ-OE1 2.64Å; K634-E636 IonicContact NZ-OE2 2.78Å; K634-E636 PolarHBondContact NZ-OE2 3.48Å
637I28.5Very low29.1Very low151 Ų151139.2 Ų139.277%0.77476%0.764SS**  trans-148.9144.5-170.2-61.5178.4000109.2
638S27.7Very low29.1Very low103 Ų103138 Ų13872%0.7276%0.755SS**  trans114.3122.6165-44.50000112.4
639E24.2Very low29Very low181 Ų181140.5 Ų140.585%0.84676%0.755SS**  68.8149.658.1-81.5-167.6-155.400114.3
640P43.4Very low29Very low100 Ų100146.2 Ų146.265%0.64976%0.759SS**  cis-146.8-162.2-19.434.8-11.1000115.4
641I28.3Very low28.9Very low143 Ų143145.9 Ų145.973%0.73375%0.752SS**  trans102.3119.2147.7-74164.7000123
642N25.8Very low29Very low131 Ų131148.9 Ų148.970%0.70175%0.754SS**  trans62.4135.2144.9-68.66.3000128.1
643F28.6Very low30.3Very low178 Ų178144.5 Ų144.578%0.78175%0.748SS**  trans20.8143.4130.3-67.9-92.5000120.5
644D27Very low30.9Very low148 Ų148143.2 Ų143.279%0.79175%0.749SS**  cis-137.3144.542.4-81.2-49.6000112.6
645N28.9Very low31.1Very low130 Ų130143 Ų14370%0.69576%0.756SS**  93151.778.1-166.255.9000115.1
646D27.2Very low31.2Very low141 Ų141147 Ų14775%0.75476%0.758SS**  trans71.3138.5-175.9-61.3-25.1000115.8
647S29.4Very low31.5Very low103 Ų103145.8 Ų145.872%0.7275%0.753SS**  cis-153.3160.5150.20000113.9
648S30Very low31.7Very low99 Ų99145.3 Ų145.369%0.69275%0.75SS**  trans15115.3161.352.80000120.1
649I29.8Very low31.9Very low141 Ų141145 Ų14572%0.72375%0.748SS**  69113.562.4-57171.2000115.2
650W28.1Very low32.2Very low233 Ų233147.5 Ų147.588%0.88375%0.75SS**  -178.8179.7121.7-95112.8000112.8
651N28.1Very low31.6Very low133 Ų133148.6 Ų148.671%0.71175%0.75SS**  trans-122.8176.3-165.2-79.9-68.2000114.6
652Y29.4Very low31.6Very low220 Ų220150 Ų15086%0.86375%0.754SS**  trans-34.9153.1157.9-67.3-90000114
653P55.4Low32.2Very low119 Ų119148.9 Ų148.977%0.77376%0.756SS**  cis-135.8-141.444.738.2-14.8000111.4
654P44.3Very low33.1Very low123 Ų123145.3 Ų145.380%0.79975%0.75SS**  cis-129.2-120.2-10.240.1-17.8000115.1
655N31.2Very low33.4Very low157 Ų157149 Ų14984%0.8476%0.755SS**  trans-157.6164.4-166.8-137-11.1000111.9
656R33.5Very low33.6Very low196 Ų196147.6 Ų147.674%0.7476%0.755SS**  trans79.3118.7159.1-97.6-169.3151.9-174.8-21.6125
657E33.1Very low33.8Very low132 Ų132148.8 Ų148.862%0.61776%0.758SS**  68.1141122.5-87.8162.5-116.600126.2
658I32.1Very low33.9Very low140 Ų140150.4 Ų150.472%0.71876%0.764SS**  trans89.9100.4148.3-65.6158.7000123.4
659S32.9Very low33.9Very low97 Ų97155 Ų15568%0.67877%0.772SS**  trans54.1139134.286.40000126.6
660R29Very low34.8Very low233 Ų233153.7 Ų153.788%0.87977%0.772SS**  -170.7132.6125-95.6164.7-172.4-172.33.6107.8
661N30.6Very low36Very low123 Ų123147.6 Ų147.666%0.65876%0.763SS**  54.7129.280.1-7761.9000113.8
662E28.7Very low36.1Very low174 Ų174146.1 Ų146.181%0.81376%0.763SS**  cis-161.2-166.7-2.7-143160.8-176.100112.8
663S39.3Very low36.2Very low106 Ų106140.6 Ų140.674%0.74176%0.756SS**  trans-95.9-179.5-169.963.50000115.5
664P48Very low35Very low103 Ų103143.8 Ų143.867%0.66976%0.761SS**  trans-137130161.236-19.5000117.4
665Y33.3Very low34.4Very low226 Ų226145.4 Ų145.489%0.88676%0.757SS**  trans65.8155152.1-58.6-55.2000122.1
666S32.8Very low34.3Very low100 Ų100146 Ų14670%0.69975%0.753SS**  cis-173.8174.6-30.8-158.70000112.5
667M30.2Very low35.3Very low167 Ų167141.8 Ų141.882%0.82375%0.75SS**  trans76138.5171.9-54.1-157.9-60.700117.6
668T32.8Very low35.7Very low136 Ų136140.9 Ų140.983%0.83476%0.759SS**  cis-154.4166.5-8.38.60000112.4
669K29.5Very low36.2Very low197 Ų197140.4 Ų140.486%0.85777%0.765SS**  trans-79-178.1-177.6-80-176.8178.3-178.10114.9
670P49.4Very low36.4Very low112 Ų112145.2 Ų145.273%0.72778%0.777SS**  cis-136.8-142.9-44.543.3-23.9000110.1
671P52.4Low36.6Very low106 Ų106138 Ų13869%0.68878%0.775SS**  cis-131.6-177.8-26.137-17.3000116.4
672S30.8Very low36.5Very low102 Ų102136 Ų13671%0.71378%0.783SS**  trans77.4133.9142.954.50000125.6
673S31.4Very low36.5Very low104 Ų104131.9 Ų131.973%0.72779%0.787SS**  trans71114.2142.356.40000124.1
674E29.4Very low36Very low186 Ų186130.6 Ų130.687%0.86979%0.791SS**  67.7105.3129.5-60.2-167.2168.200124
675H31.1Very low35.1Very low156 Ų156130 Ų13072%0.72280%0.804SS**  68.7123.7113.5-129.226.7000123.2
676F29.3Very low35Very low170 Ų170123.2 Ų123.275%0.74680%0.803SS**  trans63.9177.3157.5-76-52.4000117.5
677P55Low34.9Very low107 Ų107122.7 Ų122.770%0.69581%0.812SS**  -126.5-166.9-79.736.1-17.6000114.3
678S42.7Very low35Very low114 Ų114118.8 Ų118.880%0.79782%0.815SS**  trans-42.5154.6169.7-35.80000116
679P41Very low34.9Very low130 Ų130116.5 Ų116.584%0.84482%0.819SS**  trans-117.1150146.336.2-28.7000112.9
680Q38.3Very low34.9Very low198 Ų198111.3 Ų111.393%0.92582%0.821SS**  trans-124.5128.7169.7-177.4-17425.700109.8
681G31.8Very low34Very low82 Ų82109.6 Ų109.685%0.84582%0.824SS**  trans84.9156.2158.500000117.9
682G29.1Very low32.9Very low80 Ų80112.8 Ų112.883%0.82583%0.834SS**  trans134.8100.7159.400000116.5
683G29.1Very low32.9Very low87 Ų87116.4 Ų116.490%0.89784%0.839SS**  trans70.4175.516400000116
684G28.7Very low32.7Very low80 Ų80117.5 Ų117.583%0.82584%0.842SS**  cis175.9137.9-400000109
685G29.2Very low32.7Very low91 Ų91112.4 Ų112.494%0.93883%0.831SS**  trans-82.8156.2-172.400000114.4
686G30Very low32.9Very low83 Ų83112.5 Ų112.586%0.85684%0.835SS**  trans127.571.2146.500000120.4
687G31.7Very low34.1Very low88 Ų88109.4 Ų109.491%0.90783%0.832SS**  trans75.9157.8135.200000120.4
688G32.1Very low33.2Very low85 Ų85110.7 Ų110.788%0.87683%0.834SS**  trans176.28.9177.900000123.3
689G30.8Very low33.1Very low89 Ų89109.9 Ų109.992%0.91883%0.828SS**  trans82.7153.8166.700000118.1
690G30Very low32.8Very low87 Ų87109.7 Ų109.790%0.89782%0.824SS**  trans-177.2-45.9-178.300000118.6
691G29.7Very low32.5Very low77 Ų77107.8 Ų107.879%0.79482%0.819SS**  trans95.2164.5166.100000120.2
692L29.9Very low32.5Very low172 Ų172109.9 Ų109.990%0.90182%0.816SS**  trans89.171.7165.2-56.8179000122.3
693H29.7Very low33.9Very low178 Ų178111.6 Ų111.682%0.82481%0.812SS**  62.8117.8112.6-153.9-103.6000123.3
694V28Very low35.2Very low128 Ų128113.4 Ų113.478%0.77681%0.808SS**  173.5150.5121.8155.90000111.9
695A30.3Very low35.4Very low78 Ų78113 Ų11365%0.64581%0.805SS**  trans-29.6148.8-179.300000120.8
696I34.7Very low35.7Very low158 Ų158113.2 Ų113.281%0.8180%0.797SS**  cis75.5140.644.2-63.2171.2000112.1
697P53.2Low35.8Very low106 Ų106117.4 Ų117.469%0.68880%0.8SS**  cis-124.3-169.914.713.814.3000114.9
698D37.6Very low35.8Very low134 Ų134117 Ų11772%0.71780%0.796SS**  cis-157.5137.5-8-111.4-36.4000108.9
699S40.3Very low35.7Very low97 Ų97118.2 Ų118.268%0.67880%0.798SS**  78.2153.290.2-58.90000115.4
700V35Very low35.8Very low125 Ų125118.8 Ų118.876%0.75879%0.794SS**  cis-150.4115.832.2165.20000110
701L30.6Very low35.9Very low158 Ų158119.7 Ų119.783%0.82779%0.793SS**  83.915299.8-64175.5000120.8
702T33.5Very low36Very low127 Ų127127.6 Ų127.678%0.77980%0.798SS**  trans-118.2-147.8-176.355.30000109.2
703P58.7Low36Very low115 Ų115128.3 Ų128.375%0.74780%0.795SS**  cis-130.1-115.3-1725.41.9000116.2
704P56.3Low36Very low125 Ų125125.6 Ų125.681%0.81279%0.79SS**  -131.1179-105.941.2-24.1000118.6
705G31.6Very low36.2Very low73 Ų73127.2 Ų127.275%0.75379%0.79SS**  trans136132.6130.400000122.5
706A35.7Very low36.3Very low94 Ų94132.5 Ų132.578%0.77780%0.798SS**  trans81143.7138.400000125
707D32.4Very low36.1Very low172 Ų172128.3 Ų128.392%0.9279%0.794SS**  trans65.5144148.6-60.3-18.5000125.6
708G31Very low35Very low80 Ų80128.2 Ų128.283%0.82580%0.803SS**  trans141.8125163.800000115.5
709A31.3Very low34.6Very low110 Ų110127.3 Ų127.391%0.90981%0.806SS**  trans-145.8149.4-179.200000113.9
710A32.4Very low34.3Very low101 Ų101127 Ų12784%0.83581%0.81SS**  trans-170.9148.5155.500000116.1
711A32.2Very low34.3Very low106 Ų106127.7 Ų127.788%0.87682%0.815SS**  trans73.9155.815000000122.3
712R32.1Very low34.4Very low242 Ų242124.1 Ų124.191%0.91381%0.808SS**  trans-140.7156.8-173.3-72.6172161.9176.1-7.1111.4
713K29.5Very low34.3Very low188 Ų188122.6 Ų122.682%0.81781%0.808SS**  trans135.4110.8145.5-79.3-174.1174.4-174.40112.3
714T29.9Very low32.9Very low120 Ų120125.5 Ų125.574%0.73682%0.816SS**  80.293.869.462.50000116.8
715Q32.7Very low31.7Very low163 Ų163123.1 Ų123.176%0.76281%0.808SS**  58.7140.9124.9-116.7176.8-4.500124.1
716F32Very low32.4Very low188 Ų188125.4 Ų125.483%0.82581%0.809SS**  trans66.6128155-75.2-65.1000122.7
717G29.7Very low32.2Very low71 Ų71127.3 Ų127.373%0.73281%0.811SS**  118.196.4109.300000122.2
718A29.9Very low32.1Very low104 Ų104123.6 Ų123.686%0.8680%0.804SS**  trans71.4125.3136.100000125.2
719S30.8Very low32.1Very low114 Ų114125.4 Ų125.480%0.79780%0.804SS**  trans83.3114132.3-147.50000124.6
720A33.5Very low32.2Very low91 Ų91127.1 Ų127.175%0.75280%0.798SS**  trans51.5153.1133.500000121.9
721T34.2Very low32.9Very low140 Ų140127.4 Ų127.486%0.85979%0.791SS**  cis-140.8-157.113.452.20000109.3
722A32.3Very low32.8Very low82 Ų82130.1 Ų130.168%0.67879%0.79SS**  cis-163.3170.30.300000111
723A32.1Very low32.8Very low95 Ų95123.9 Ų123.979%0.78578%0.784SS**  trans62.6142.6151.600000120.3
724L29.5Very low33.9Very low176 Ų176120.7 Ų120.792%0.92178%0.782SS**  cis-150.91744.7-111.9166.3000111
725A30.4Very low35Very low76 Ų76119.4 Ų119.463%0.62878%0.776SS**  trans-98.2-166.6-174.900000113.6V727A725-V727 HydrophobicContact CB-CG2 4.36Å
726P47.4Very low34.9Very low120 Ų120119.4 Ų119.478%0.77978%0.78SS**  cis-113.7168.623.337.2-22.1000114.8
727V31.1Very low34.9Very low135 Ų135115.6 Ų115.682%0.81878%0.777SS**  cis92.1101.830.1-179.40000116.5A725A725-V727 HydrophobicContact CB-CG2 4.36Å
728A29.8Very low34.8Very low94 Ų94116.7 Ų116.778%0.77778%0.779SS**  trans177.5152.1149.200000109.2
729S31.3Very low34.9Very low118 Ų118117.3 Ų117.383%0.82578%0.777SS**  cis-171.4145.6-23.651.90000109
730D32.7Very low35.8Very low146 Ų146117.2 Ų117.278%0.78177%0.774SS**  trans-128.2139.6179.7177.642.2000111.3
731P47.2Very low35.8Very low107 Ų107122.9 Ų122.970%0.69578%0.776SS**  trans-152.6128.1140.635-15.5000117.9
732L29.8Very low35.8Very low163 Ų163121.4 Ų121.485%0.85376%0.762SS**  44.1149.2122.4-56.4175.6000124.1
733S32Very low35.7Very low111 Ų111127.3 Ų127.378%0.77677%0.773SS**  trans-85.8-163.7-176-270000114.8
734P53Low35.7Very low120 Ų120131.3 Ų131.378%0.77978%0.775SS**  cis-125.5-119-7.929.2-2.6000111.1
735P53.9Low36.7Very low94 Ų94128.6 Ų128.661%0.6177%0.768SS**  cis-135.4-170.9-36.730.9-6.9000116.7
736L29.6Very low36.6Very low162 Ų162128.2 Ų128.285%0.84877%0.771SS**  trans77.1145.8161.8-50.2-177.4000118
737S32.2Very low35.8Very low109 Ų109130.8 Ų130.876%0.76278%0.778SS**  cis174.2170.4-7.358.60000105.6
738A27.7Very low35.8Very low94 Ų94127.7 Ų127.778%0.77777%0.774SS**  cis-155.7179.513.600000112.8
739S32.5Very low35.8Very low117 Ų117127 Ų12782%0.81878%0.776SS**  trans-104.5-174.2168.4-88.50000109.6
740P49Very low35.9Very low111 Ų111125.5 Ų125.572%0.72178%0.779SS**  cis-158.4179.626.446.9-24.4000122
741R33.6Very low35.8Very low211 Ų211122.4 Ų122.480%0.79678%0.781SS**  trans78.2132.4137.8-86.6-177.6116.1117.318.6126.3
742D35Very low35.1Very low109 Ų109121.3 Ų121.358%0.58379%0.79SS**  trans41.8122.4135.5-47.7-10000123.3
743K29.7Very low35.2Very low206 Ų206117.5 Ų117.590%0.89679%0.79SS**  171143.6100.4-92.5-174-177.7-179.80116.2
744H31.3Very low35.2Very low179 Ų179116.4 Ų116.483%0.82980%0.796SS**  trans-93.2176.4155.3-114.2-56.3000109.2
745P50.5Low34.2Very low119 Ų119114.6 Ų114.677%0.77380%0.8SS**  cis-130.4-166.6-18.741.3-25.4000112.1
746G28.7Very low33.2Very low68 Ų68114.4 Ų114.470%0.70182%0.815SS**  trans14489.1143.900000121
747N30.6Very low33.3Very low173 Ų173110.7 Ų110.793%0.92582%0.816SS**  59.2130.6126-162.561.1000123.2
748G32Very low33.4Very low70 Ų70110.9 Ų110.972%0.72282%0.824SS**  trans101.8141.3156.700000116.1
749G30Very low33.6Very low80 Ų80110.1 Ų110.183%0.82583%0.825SS**  cis148.896.3-9.400000114.2
750G32.1Very low33.5Very low86 Ų86108.7 Ų108.789%0.88783%0.829SS**  trans77.7164.1176.800000115.1
751G31.2Very low32.6Very low81 Ų81107.5 Ų107.584%0.83584%0.837SS**  cis157.7134.2-11.400000114.4
752G31.8Very low32.4Very low84 Ų84101.1 Ų101.187%0.86684%0.836SS**  trans8895.2150.600000120.6
753G31.9Very low32.8Very low84 Ų84102.2 Ų102.287%0.86685%0.849SS**  80.8175.1120.500000121.3
754G32.7Very low32.8Very low87 Ų8797.6 Ų97.690%0.89784%0.843SS**  trans96118.617400000114.2
755G32.2Very low33Very low83 Ų8393.6 Ų93.686%0.85684%0.841SS**  trans-146.4-164.3-178.600000113.9
756G32.6Very low31.8Very low90 Ų9093.7 Ų93.793%0.92884%0.844SS**  trans100.8132.3174.300000114.6
757G31.9Very low31.9Very low84 Ų8498.5 Ų98.587%0.86685%0.854SS**  trans150.498.9177.200000112.1
758A34.5Very low31.6Very low113 Ų11395.3 Ų95.393%0.93485%0.845SS**  trans-82.5168.9-172.700000114
759G31.6Very low31.5Very low77 Ų7799.3 Ų99.379%0.79485%0.849SS**  trans148.737.113800000123.5
760G30.7Very low31.4Very low88 Ų88103.7 Ų103.791%0.90785%0.853SS**  trans77.2150.6147.500000120.3
761G30.3Very low31.1Very low86 Ų86110.1 Ų110.189%0.88785%0.852SS**  trans118.4106.8172.800000113.9
762G29.6Very low31.3Very low76 Ų76113.3 Ų113.378%0.78486%0.855SS**  trans-100-167164.300000111.5
763P43.8Very low31.3Very low132 Ų132111.2 Ų111.286%0.85783%0.834SS**  cis-129.8-1707.342.8-27.8000114.3
764S27.8Very low31.4Very low110 Ų110113.5 Ų113.577%0.76983%0.826SS**  trans105.5134.8157.9-154.40000118.5
765A35.7Very low31.4Very low95 Ų95116.5 Ų116.579%0.78582%0.821SS**  trans28.9106.7158.300000119.5
766S26.3Very low31.3Very low120 Ų120118.3 Ų118.384%0.83981%0.807SS**  trans-125.9127.9157.9-63.40000110.1
767N30.2Very low31.3Very low170 Ų170116.7 Ų116.791%0.90979%0.785SS**  trans-70.3138.7160-70.5-39.9000108.6
768S24.2Very low31.3Very low105 Ų105118.8 Ų118.873%0.73478%0.776SS**  trans-159.5124.5150.1-156.80000113.3
769L30.1Very low31.2Very low154 Ų154120.5 Ų120.581%0.80676%0.764SS**  trans33.8114.2141.9-57.2174000119.3
770L28Very low31.2Very low173 Ų173124.6 Ų124.691%0.90676%0.756SS**  trans-53.8134.6155.8-65.2163.8000110.1T772L770-T772 PolarHBondContact O-N 3.29Å
771Y25.9Very low31.3Very low220 Ų220126.6 Ų126.686%0.86375%0.745SS**  trans-75.3117.7175.1-117.4-100.5000110.5G773Y771-G773 VanDerWaalsContact C-N 3.32Å; Y771-G773 PolarHBondContact O-N 2.89Å
772T36.3Very low31.5Very low148 Ų148130.4 Ų130.491%0.90874%0.74SS**THydrogen-bonded Turntrans-72.687.3166.748.70000109.4L770L770-T772 PolarHBondContact O-N 3.29Å
773G32Very low31.8Very low40 Ų40131.1 Ų131.141%0.41274%0.738SS.*THydrogen-bonded Turntrans-142.6-47.9175.600000113Y771 L775 E776Y771-G773 VanDerWaalsContact C-N 3.32Å; Y771-G773 PolarHBondContact O-N 2.89Å; G773-L775 VanDerWaalsContact C-N 3.26Å; G773-L775 PolarHBondContact O-N 2.89Å; G773-E776 PolarHBondContact O-N 2.79Å
774D32.7Very low31.1Very low133 Ų133126.9 Ų126.971%0.71172%0.718SS**Hα-helixtrans-71.1-14.9-170.2-61.1-36.6000115A777 L778D774-A777 PolarHBondContact O-N 3.05Å; D774-L778 PolarHBondContact O-N 2.8Å
775L32.2Very low32Very low150 Ų150128 Ų12879%0.78572%0.716SS**Hα-helixtrans-70.3-37.2177.5-125.977.9000112.7G773 A777 L778 Q779G773-L775 VanDerWaalsContact C-N 3.26Å; G773-L775 PolarHBondContact O-N 2.89Å; L775-A777 VanDerWaalsContact C-N 3.26Å; L775-A777 PolarHBondContact O-N 3.42Å; L775-L778 PolarHBondContact O-N 3.13Å; L775-Q779 PolarHBondContact O-N 3.25Å
776E31.2Very low31.6Very low121 Ų121129.2 Ų129.257%0.56571%0.713SS**Hα-helixtrans-75.1-15.6178.1-103.5-156.198.400113.3G773 R780G773-E776 PolarHBondContact O-N 2.79Å; E776-R780 PolarHBondContact O-NH1 2.99Å; E776-R780 IonicContact OE1-CZ 2.69Å; E776-R780 IonicContact OE1-NH1 2.8Å; E776-R780 PolarHBondContact OE1-NH1 3.18Å; E776-R780 IonicContact OE1-NH2 3.99Å; E776-R780 PolarHBondContact OE1-NH2 2.79Å
777A31.8Very low31.6Very low56 Ų56130 Ų13046%0.46371%0.712SS.*Hα-helixtrans-79.5-44.6172.400000111.4D774 L775 Q779 R780D774-A777 PolarHBondContact O-N 3.05Å; L775-A777 VanDerWaalsContact C-N 3.26Å; L775-A777 PolarHBondContact O-N 3.42Å; A777-Q779 VanDerWaalsContact C-N 3.33Å; A777-Q779 PolarHBondContact O-N 2.94Å; A777-R780 PolarHBondContact O-N 3.44Å
778L31.8Very low31.4Very low128 Ų128128.3 Ų128.367%0.6770%0.702SS**Hα-helixtrans-62.3-38.6177.7-112.371.7000112.6D774 L775 R780 L781D774-L778 PolarHBondContact O-N 2.8Å; L775-L778 PolarHBondContact O-N 3.13Å; L778-R780 PolarHBondContact O-N 2.84Å; L778-L781 PolarHBondContact O-N 3.11Å
779Q32.9Very low31.6Very low149 Ų149128.7 Ų128.770%0.69670%0.702SS**THydrogen-bonded Turntrans-73.6-7.9-177.4-160.1165.8800114.2L775 A777L775-Q779 PolarHBondContact O-N 3.25Å; A777-Q779 VanDerWaalsContact C-N 3.33Å; A777-Q779 PolarHBondContact O-N 2.94Å
780R32.6Very low31.3Very low163 Ų163129.1 Ų129.162%0.61571%0.705SS**THydrogen-bonded Turntrans-99.2-5.6175.8-71.6-173.9176.483.9-3.6114.7E776 A777 L778 Q782E776-R780 PolarHBondContact O-NH1 2.99Å; E776-R780 IonicContact OE1-CZ 2.69Å; E776-R780 IonicContact OE1-NH1 2.8Å; E776-R780 PolarHBondContact OE1-NH1 3.18Å; E776-R780 IonicContact OE1-NH2 3.99Å; E776-R780 PolarHBondContact OE1-NH2 2.79Å; A777-R780 PolarHBondContact O-N 3.44Å; L778-R780 PolarHBondContact O-N 2.84Å; R780-Q782 VanDerWaalsContact C-N 3.34Å
781L31.9Very low31.3Very low129 Ų129127.3 Ų127.368%0.67570%0.701SS**G310 helixtrans-78.9-11.5177-82.6164000114.3L778 A783L778-L781 PolarHBondContact O-N 3.11Å; L781-A783 VanDerWaalsContact C-N 3.26Å; L781-A783 PolarHBondContact O-N 3.02Å
782Q34Very low31.3Very low167 Ų167124.7 Ų124.778%0.7870%0.696SS**G310 helixtrans-78.4-3.6179.4-65-174.6-80.700114.5R780R780-Q782 VanDerWaalsContact C-N 3.34Å
783A35.4Very low30.8Very low91 Ų91128.5 Ų128.575%0.75269%0.694SS**G310 helixtrans-104.99.3177.800000113.8L781L781-A783 VanDerWaalsContact C-N 3.26Å; L781-A783 PolarHBondContact O-N 3.02Å
784G29.6Very low30.5Very low42 Ų42132.3 Ų132.343%0.43371%0.709SS.*SBendtrans-115.2135.6-178.700000112.8V786G784-V786 VanDerWaalsContact C-N 3.33Å; G784-V786 PolarHBondContact O-N 2.78Å
785N46.3Very low30.2Very low135 Ų135132.4 Ų132.472%0.72271%0.714SS**SBendtrans-72.382.6174.8-77.6-29.3000111.5
786V28.4Very low30Very low120 Ų120128.6 Ų128.673%0.72771%0.711SS**  trans-175.3115.5142.9143.60000107.9G784 L788G784-V786 VanDerWaalsContact C-N 3.33Å; G784-V786 PolarHBondContact O-N 2.78Å; V786-L788 HydrophobicContact CG1-CG 4.28Å
787V27.3Very low29.8Very low135 Ų135129.3 Ų129.382%0.81872%0.724SS**  trans-108.8107.3164.5177.40000107.6
788L25.3Very low29.6Very low135 Ų135135 Ų13571%0.70775%0.745SS**  trans-73.1136.7163.3-71.1170.2000108.3V786 L790V786-L788 HydrophobicContact CG1-CG 4.28Å; L788-L790 PolarHBondContact O-N 3.18Å
789P27.2Very low29.3Very low113 Ų113133.6 Ų133.673%0.73475%0.753SS**  trans-68.595.2-176.226.3-34.1000111.7V791P789-V791 PolarHBondContact O-N 3.39Å; P789-V791 VanDerWaalsContact O-N 3.1Å
790L24.7Very low29Very low164 Ų164131 Ų13186%0.85976%0.757SS**  trans-6999.2171.8-94.5151.8000110L788 H792L788-L790 PolarHBondContact O-N 3.18Å; L790-H792 VanDerWaalsContact C-N 3.35Å; L790-H792 PolarHBondContact O-N 2.87Å
791V26.9Very low28.6Very low135 Ų135130 Ų13082%0.81877%0.769SS**  trans-68.690.4175.5-177.70000109.7P789 R793P789-V791 PolarHBondContact O-N 3.39Å; P789-V791 VanDerWaalsContact O-N 3.1Å; V791-R793 PolarHBondContact O-N 2.97Å
792H26.6Very low28.3Very low165 Ų165128.8 Ų128.876%0.76477%0.771SS**  trans-73.795.4-175.4-154.9-91.9000111.4L790 V794L790-H792 VanDerWaalsContact C-N 3.35Å; L790-H792 PolarHBondContact O-N 2.87Å; H792-V794 PolarHBondContact O-N 3.24Å
793R25.2Very low28Very low227 Ų227127.6 Ų127.686%0.85778%0.775SS**  trans-80.478.3-169.8-164.6-178.6-168.1-178.34.4112.9V791 T795V791-R793 PolarHBondContact O-N 2.97Å; R793-T795 PolarHBondContact O-N 2.85Å
794V27.6Very low27.6Very low120 Ų120128.1 Ų128.173%0.72778%0.78SS**  trans-66.9116.2173.7-179.70000110.4H792 G796H792-V794 PolarHBondContact O-N 3.24Å; V794-G796 PolarHBondContact O-N 3.2Å
795T26.1Very low27.5Very low136 Ų136131.2 Ų131.283%0.83480%0.801SS**  trans-83.690.8174.447.30000110.9R793R793-T795 PolarHBondContact O-N 2.85Å
796G26.9Very low26.5Very low69 Ų69133.9 Ų133.971%0.71181%0.81SS**  trans-105.6124.9168.400000111.5V794V794-G796 PolarHBondContact O-N 3.2Å
797T27.1Very low26.4Very low137 Ų137138.1 Ų138.184%0.8481%0.812SS**  trans-94.4123.217449.50000111.1
798L26.8Very low26.2Very low174 Ų174138 Ų13891%0.91181%0.812SS**  trans-172.7157.1147.1-105.9162.2000112.7
799A26.1Very low26.3Very low100 Ų100140.3 Ų140.383%0.82681%0.812SS**  trans3.5151.2167.600000122.7
800A26.5Very low26.2Very low95 Ų95141.3 Ų141.379%0.78582%0.817SS**  trans-117150.6-179.600000113.9
801T25.1Very low26.4Very low141 Ų141139.9 Ų139.987%0.86582%0.815SS**  trans-157.6144.3159.410.10000113.7
802S26Very low26.3Very low104 Ų104136.7 Ų136.773%0.72781%0.809SS**  trans38.4102.2158.9-63.60000123.2
803T27.6Very low26.3Very low141 Ų141135.5 Ų135.587%0.86581%0.814SS**  29.6110.6119.758.40000121
804A27.3Very low26.5Very low103 Ų103130.6 Ų130.685%0.85180%0.803SS**  trans-151.1145.4139.400000109.4
805A25.9Very low26.6Very low106 Ų106135.9 Ų135.988%0.87681%0.81SS**PPolyproline II helixtrans-100.8121.5-176.100000111.9
806Q25.3Very low26.6Very low192 Ų192139.3 Ų139.390%0.89781%0.809SS**PPolyproline II helixtrans-92.3135.5172.9-72.6-178.3-30.800111.2
807R26Very low26.5Very low208 Ų208140.1 Ų140.179%0.78581%0.809SS**PPolyproline II helixtrans-84.1130.3169.7-68.8-178.2178.8176.11.1109.5Y809R807-Y809 HydrophobicContact CB-CD2 4.48Å; R807-Y809 HydrophobicContact CB-CE2 4.01Å
808V24.2Very low26.5Very low133 Ų133139.5 Ų139.581%0.80681%0.807SS**PPolyproline II helixtrans-90.9125.3169.6-179.70000108.7
809Y26.3Very low26.6Very low183 Ų183136 Ų13672%0.71880%0.804SS**  trans-106.6135.8165.7-72.8-83.3000108.8R807R807-Y809 HydrophobicContact CB-CD2 4.48Å; R807-Y809 HydrophobicContact CB-CE2 4.01Å
810T26.2Very low26.6Very low135 Ų135140 Ų14083%0.82881%0.806SS**  trans-88.3140.8-17542.20000111.9
811T27.8Very low26.7Very low134 Ų134142 Ų14282%0.82281%0.807SS**  trans-76.3128.3177.542.70000111.1
812G26.5Very low26.8Very low68 Ų68141.5 Ų141.570%0.70180%0.804SS**  trans-105100-173.500000113.8I814G812-I814 PolarHBondContact O-N 3.19Å
813T25.9Very low26.9Very low140 Ų140143.9 Ų143.986%0.85981%0.808SS**  trans-73.3103.6172.3-46.10000111
814I29.7Very low26.8Very low123 Ų123142 Ų14263%0.63181%0.807SS**PPolyproline II helixtrans-90118.5-179.3-63.8178.9000111.3G812G812-I814 PolarHBondContact O-N 3.19Å
815R28.7Very low26.7Very low232 Ų232146 Ų14688%0.87581%0.811SS**PPolyproline II helixtrans-74.1148.3172.4-58.2176.5-178.3179.4-1.1111
816Y25.9Very low26.7Very low207 Ų207150.2 Ų150.281%0.81281%0.812SS**PPolyproline II helixtrans-76.5133166.2-77-90.5000110.7
817A24.9Very low26.7Very low86 Ų86146.8 Ų146.871%0.71181%0.809SS**PPolyproline II helixtrans-98147.5165.500000109.6
818P27.7Very low26.7Very low124 Ų124144.1 Ų144.181%0.80581%0.811SS**PPolyproline II helixtrans-68.8145.3174.630.2-34.6000110.8
819A28.5Very low26.9Very low102 Ų102146.1 Ų146.184%0.84382%0.816SS**PPolyproline II helixtrans-76.9128.9177.200000111.2
820E25.8Very low26.9Very low184 Ų184144.8 Ų144.886%0.8682%0.821SS**PPolyproline II helixtrans-76163171.1-67.4-162.5134.800112.4
821V30.2Very low27.3Very low135 Ų135143.9 Ų143.982%0.81882%0.817SS**PPolyproline II helixtrans-98.5124.7178176.80000109.3
822T27.5Very low27.2Very low131 Ų131144.1 Ų144.180%0.80481%0.813SS**  trans-127.3124.6174-36.20000110.1
823L26.3Very low27.2Very low155 Ų155145.4 Ų145.481%0.81282%0.817SS**  trans-72145171.9-88.269000110.2
824A26Very low27.2Very low102 Ų102147.4 Ų147.484%0.84382%0.816SS**  trans-96128.4167.900000110.6
825M25.1Very low27.1Very low186 Ų186146.2 Ų146.292%0.91683%0.825SS**  trans-128.5149.5159-80.8-173.666.600109.1
826Q26.9Very low27Very low194 Ų194141.8 Ų141.891%0.90782%0.823SS**  trans-94145.1-173.2-58.2166.3-5300111.6
827S24.6Very low27Very low120 Ų120139.5 Ų139.584%0.83983%0.825SS**  trans-173.8157.7131.750.20000111.7
828N26.3Very low26.9Very low152 Ų152145.5 Ų145.581%0.81384%0.835SS**  trans-88.3152.6177.8-59.1-41.2000111
829L28.5Very low27Very low175 Ų175145.5 Ų145.592%0.91683%0.833SS**  175.5152.7114.9-91.5161.2000113
830L25.8Very low26.9Very low156 Ų156147.7 Ų147.782%0.81783%0.83SS**  trans-97172.4168.5-79.8169.4000108.9
831P34.7Very low26.9Very low115 Ų115145.8 Ų145.875%0.74783%0.831SS**  cis-145.9159.223.242.6-22.6000120.1
832N25.4Very low26.6Very low140 Ų140146.2 Ų146.275%0.74983%0.829SS**  trans34.8121.7131.5-161.743.6000122.1
833A25.8Very low26.6Very low94 Ų94145.1 Ų145.178%0.77783%0.827SS**  trans-153158.4156.500000112.6
834H26.7Very low27Very low182 Ų182143.9 Ų143.984%0.84383%0.828SS**  trans-80.8162.8-163.2-68.6-97.9000116.7
835A27.5Very low27.1Very low98 Ų98142.7 Ų142.781%0.8183%0.826SS**  trans-87.2155.6169.900000113.2
836V27.2Very low27.3Very low139 Ų139144.1 Ų144.184%0.84283%0.827SS**  trans-145.1136.6167.6-89.20000110.3
837N25.4Very low27.3Very low160 Ų160138.3 Ų138.386%0.85682%0.819SS**  trans-95.6149.5171-81.3-22000110.5
838F23.6Very low27.7Very low212 Ų212140 Ų14093%0.9382%0.818SS**  trans-143.5163.4161.4-109.9-86.4000110.7
839V28.4Very low28Very low124 Ų124137 Ų13775%0.75280%0.802SS**  trans-118.4149.4-160.5173.20000113
840D26.4Very low28.5Very low147 Ų147134.3 Ų134.379%0.78680%0.795SS**  trans-4.1135.1170.1-58.6-44.8000121.8
841V26Very low29.2Very low145 Ų145132.9 Ų132.988%0.87978%0.782SS**  trans-143.7145.7135-177.40000110.6
842N25.5Very low29.9Very low143 Ų143131.1 Ų131.177%0.76577%0.769SS**  trans-69.9144.4-169.2-61.3-69000118.5
843S26.1Very low30.5Very low109 Ų109129.1 Ų129.176%0.76276%0.764SS**  trans62.2164.3133.7-64.30000121.9
844P36Very low31.1Very low128 Ų128132.1 Ų132.183%0.83176%0.764SS**  cis-130.1146.5-45.536.2-22000112.3
845G26.1Very low31.8Very low78 Ų78129.5 Ų129.580%0.80475%0.752SS**  trans-149.3136.4179.700000114.2G847G845-G847 PolarHBondContact O-N 2.75Å
846F30.2Very low32.2Very low216 Ų216131.8 Ų131.895%0.94775%0.748SS**  trans-73.5120.9176.6-90.9-108.8000111.3
847G26.8Very low32.9Very low72 Ų72130.9 Ų130.974%0.74274%0.737SS**  trans-129.4120.6165.500000109.9G845G845-G847 PolarHBondContact O-N 2.75Å
848L33.7Very low33.4Very low156 Ų156132 Ų13282%0.81773%0.731SS**  trans-93.1113180-67.8170.3000110.1
849D31.8Very low34.1Very low88 Ų88128.8 Ų128.847%0.47172%0.719SS.*  trans-71.2124.8171.2179.632.1000109.9K851 T852D849-K851 PolarHBondContact O-N 3Å; D849-K851 IonicContact OD1-NZ 2.7Å; D849-K851 PolarHBondContact OD1-NZ 2.84Å; D849-K851 IonicContact OD2-NZ 2.76Å; D849-K851 PolarHBondContact OD2-NZ 3.49Å; D849-T852 PolarHBondContact O-OG1 2.78Å
850P39.9Very low34.4Very low119 Ų119129.1 Ų129.177%0.77371%0.712SS**THydrogen-bonded Turntrans-69.819.4-169.626.3-36.6000116.7
851K40.2Very low35.1Very low126 Ų126126.8 Ų126.855%0.54870%0.703SS.*THydrogen-bonded Turntrans-90.8-20179.9-57.3-172.2-166.870.40114.5D849 P853 M854D849-K851 PolarHBondContact O-N 3Å; D849-K851 IonicContact OD1-NZ 2.7Å; D849-K851 PolarHBondContact OD1-NZ 2.84Å; D849-K851 IonicContact OD2-NZ 2.76Å; D849-K851 PolarHBondContact OD2-NZ 3.49Å; K851-P853 WeakPolarHBondContact O-CD 3.35Å; K851-M854 PolarHBondContact O-N 3.23Å
852T48.2Very low35.7Very low77 Ų77126.3 Ų126.347%0.47269%0.69SS.*Hα-helixtrans-60-24.9-17033.10000118D849 M854D849-T852 PolarHBondContact O-OG1 2.78Å; T852-M854 VanDerWaalsContact C-N 3.31Å; T852-M854 PolarHBondContact O-N 3.31Å
853P39.4Very low36.3Very low98 Ų98129.5 Ų129.564%0.63669%0.692SS**Hα-helixtrans-64.1-32.5178.4-24.734.7000114.2K851K851-P853 WeakPolarHBondContact O-CD 3.35Å
854M38.5Very low36.7Very low157 Ų157130.3 Ų130.377%0.77369%0.687SS**Hα-helixtrans-85.4-34-170-143.8163.3-168.400112.4K851 T852 L857 Y858K851-M854 PolarHBondContact O-N 3.23Å; T852-M854 VanDerWaalsContact C-N 3.31Å; T852-M854 PolarHBondContact O-N 3.31Å; M854-L857 PolarHBondContact O-N 3.27Å; M854-Y858 PolarHBondContact O-N 3.44Å
855E40.2Very low36.8Very low128 Ų128130.9 Ų130.960%0.59868%0.683SS**Hα-helixtrans-68.3-37.8175.7-61.7-178.9139.500112L857 Y858 H859E855-L857 VanDerWaalsContact C-N 3.31Å; E855-L857 PolarHBondContact O-N 3.03Å; E855-Y858 WeakPolarHBondContact O-CB 3.16Å; E855-Y858 PolarHBondContact O-N 3.48Å; E855-H859 PolarHBondContact O-N 2.76Å
856M37.3Very low37.1Very low146 Ų146135 Ų13572%0.71968%0.683SS**Hα-helixtrans-61.4-37.3173.4-78.8-170.364.700112.7H859 H860M856-H859 PolarHBondContact O-N 3.05Å; M856-H860 PolarHBondContact O-N 2.97Å; M856-H860 VanDerWaalsContact O-N 3.1Å
857L41.1Very low37.2Very low119 Ų119129.6 Ų129.662%0.62367%0.672SS**Hα-helixtrans-66.5-42.8177.1-163.173.4000111M854 E855 H859 H860 V861M854-L857 PolarHBondContact O-N 3.27Å; E855-L857 VanDerWaalsContact C-N 3.31Å; E855-L857 PolarHBondContact O-N 3.03Å; L857-H859 VanDerWaalsContact C-N 3.35Å; L857-H859 PolarHBondContact O-N 3.31Å; L857-H860 PolarHBondContact O-N 3.18Å; L857-H860 VanDerWaalsContact O-N 3.16Å; L857-V861 PolarHBondContact O-N 3.23Å; L857-V861 VanDerWaalsContact O-N 3.13Å
858Y36.3Very low37.5Very low185 Ų185129.3 Ų129.373%0.72567%0.67SS**Hα-helixtrans-57.9-46175-129.4-93.9000111.6M854 E855 H860 V861 H862M854-Y858 PolarHBondContact O-N 3.44Å; E855-Y858 WeakPolarHBondContact O-CB 3.16Å; E855-Y858 PolarHBondContact O-N 3.48Å; Y858-H860 VanDerWaalsContact C-N 3.3Å; Y858-H860 PolarHBondContact O-N 2.85Å; Y858-V861 PolarHBondContact O-N 2.87Å; Y858-H862 PolarHBondContact O-N 3.5Å; Y858-H862 VanDerWaalsContact O-N 3.13Å
859H37.8Very low37.7Very low144 Ų144127.9 Ų127.967%0.66767%0.67SS**Hα-helixtrans-64.8-30177.1-11681.4000113.6E855 M856 L857 R863E855-H859 PolarHBondContact O-N 2.76Å; M856-H859 PolarHBondContact O-N 3.05Å; L857-H859 VanDerWaalsContact C-N 3.35Å; L857-H859 PolarHBondContact O-N 3.31Å; H859-R863 PolarHBondContact O-N 3.28Å
860H35.6Very low37.5Very low131 Ų131134 Ų13461%0.60669%0.693SS**Hα-helixtrans-75.4-42.5179.4-15185.1000112.1M856 L857 Y858 R863 L864M856-H860 PolarHBondContact O-N 2.97Å; M856-H860 VanDerWaalsContact O-N 3.1Å; L857-H860 PolarHBondContact O-N 3.18Å; L857-H860 VanDerWaalsContact O-N 3.16Å; Y858-H860 VanDerWaalsContact C-N 3.3Å; Y858-H860 PolarHBondContact O-N 2.85Å; H860-R863 PolarHBondContact O-N 3.03Å; H860-L864 PolarHBondContact O-N 2.7Å
861V39.5Very low36.9Very low98 Ų98132.2 Ų132.259%0.59470%0.695SS**Hα-helixtrans-62.8-43.1174.7176.60000110.7L857 Y858 R863 L864L857-V861 PolarHBondContact O-N 3.23Å; L857-V861 VanDerWaalsContact O-N 3.13Å; Y858-V861 PolarHBondContact O-N 2.87Å; V861-R863 PolarHBondContact O-N 2.73Å; V861-L864 PolarHBondContact O-N 2.78Å; V861-L864 VanDerWaalsContact O-N 3.11Å
862H39.1Very low36.3Very low135 Ų135130 Ų13063%0.62571%0.709SS**Hα-helixtrans-68.1-20.1-177.9-137.9-60.3000114.3Y858Y858-H862 PolarHBondContact O-N 3.5Å; Y858-H862 VanDerWaalsContact O-N 3.13Å
863R37.8Very low35.4Very low210 Ų210131.4 Ų131.479%0.79273%0.728SS**Hα-helixtrans-82.6-24.8172.2-88.7-172.2165.4-171.5-3.9114.1H859 H860 V861 N865H859-R863 PolarHBondContact O-N 3.28Å; H860-R863 PolarHBondContact O-N 3.03Å; V861-R863 PolarHBondContact O-N 2.73Å; R863-N865 VanDerWaalsContact C-N 3.34Å
864L35.8Very low34.7Very low126 Ų126133.8 Ų133.866%0.6674%0.74SS**Hα-helixtrans-78-19.7177.6-73167.6000112.9H860 V861 M866H860-L864 PolarHBondContact O-N 2.7Å; V861-L864 PolarHBondContact O-N 2.78Å; V861-L864 VanDerWaalsContact O-N 3.11Å; L864-M866 VanDerWaalsContact C-N 3.31Å; L864-M866 PolarHBondContact O-N 2.64Å
865N37.6Very low34.2Very low139 Ų139132.2 Ų132.274%0.74374%0.744SS**THydrogen-bonded Turntrans-89.818.8-178-151.223.7000114.2R863R863-N865 VanDerWaalsContact C-N 3.34Å
866M33.3Very low33.5Very low165 Ų165131 Ų13181%0.81376%0.757SS**  trans-133.745.6-175.1-73.4-68.1-83.400113.3L864L864-M866 VanDerWaalsContact C-N 3.31Å; L864-M866 PolarHBondContact O-N 2.64Å
867S31.7Very low33Very low102 Ų102128.7 Ų128.771%0.71376%0.76SS**  trans-128111.8169.862.50000110.7
868G33.6Very low32.3Very low67 Ų67128.1 Ų128.169%0.69177%0.767SS**  trans-74.4171.4168.400000112.9
869P36.5Very low31.8Very low126 Ų126126.9 Ų126.982%0.81877%0.772SS**  trans-78.3144.4-168.131.4-35.9000113.5
870F27.8Very low31.3Very low217 Ų217125.3 Ų125.395%0.95277%0.772SS**  trans-136.8126.2158.2-100.6-83.7000110
871G28Very low30.8Very low80 Ų80127.2 Ų127.283%0.82578%0.782SS**  trans-132.3124.5168.300000108.8
872G26.2Very low30.1Very low81 Ų81130.8 Ų130.884%0.83579%0.794SS**  trans162.4112.5-176.700000110.3
873A29.9Very low30.1Very low106 Ų106129.8 Ų129.888%0.87680%0.799SS**  trans-102.3133.8-17300000111.9
874V26Very low29.6Very low148 Ų148124.4 Ų124.490%0.89780%0.8SS**  trans-140154.5167.3-168.90000109.4
875S26.8Very low29.2Very low123 Ų123121.5 Ų121.586%0.8680%0.8SS**  trans-60.2169.8-163.3-50.40000118.8
876A25.4Very low28.7Very low104 Ų104122.7 Ų122.786%0.8681%0.807SS**  trans-97162.6-171.900000116
877A27.5Very low28.4Very low96 Ų96121.3 Ų121.379%0.79381%0.807SS**  trans-163.5147.2152.500000112.8
878S25.8Very low28.1Very low108 Ų108125.7 Ų125.776%0.75581%0.814SS**  trans37132.1155-640000122.9
879L26.6Very low27.8Very low158 Ų158129.2 Ų129.283%0.82782%0.822SS**  61.2132.182.1-109.471.2000113.3
880T26.2Very low27.4Very low111 Ų111129.5 Ų129.568%0.68182%0.822SS**  cis-155.3138.928.622.80000111
881Q25.9Very low27.4Very low172 Ų172124.1 Ų124.180%0.80482%0.817SS**  79.210191.2-167.3-1799.100118.8
882M23.9Very low27.4Very low172 Ų172130 Ų13085%0.84782%0.823SS**  trans52.9171.2137.5-76.4-63.5-161.900121.3
883P39.3Very low27.4Very low114 Ų114129.7 Ų129.774%0.7482%0.82SS**  cis-137167.511.843.7-26.2000119.6
884A28.3Very low27.4Very low98 Ų98132 Ų13281%0.8182%0.817SS**  trans43.2147.9139.700000123.7
885G26.1Very low27.3Very low64 Ų64133.2 Ų133.266%0.6681%0.81SS**  cis158.1175.6-7.700000115.7
886N28.6Very low27.4Very low165 Ų165132.7 Ų132.788%0.88281%0.806SS**  trans62.7154.6165-53.5-5.5000116.9
887V26.5Very low27.5Very low136 Ų136134.4 Ų134.482%0.82481%0.807SS**  cis-138.3157.620.3174.70000111.1
888F25.2Very low27.6Very low193 Ų193138.3 Ų138.385%0.84681%0.813SS**  trans-89.6150.2173-85.5-103.1000114
889T28.6Very low27.9Very low142 Ų142138 Ų13887%0.87181%0.808SS**  trans-140.8164.8143.856.20000110.3
890T27.7Very low27.8Very low132 Ų132139.9 Ų139.981%0.8181%0.81SS**  trans-131.6142.4-16651.60000113
891A27.5Very low28.1Very low104 Ų104139.2 Ų139.286%0.8681%0.808SS**  trans-156.1138.915800000111.1
892E28.3Very low28.2Very low204 Ų204137.6 Ų137.695%0.95381%0.809SS**  trans-95.4148.6165-61.8-174.313100109.5
893G26.5Very low28.3Very low74 Ų74139 Ų13976%0.76381%0.806SS**  trans176.165-177.800000118.2
894L28.4Very low27.7Very low154 Ų154138.6 Ų138.681%0.80681%0.807SS**  trans38.4150.8144.4-58.8173.8000123.6
895F25.1Very low27.8Very low174 Ų174141.6 Ų141.676%0.76381%0.809SS**  trans74.493.3160-68.3-66.2000121.1
896S28Very low27.8Very low111 Ų111142.1 Ų142.178%0.77681%0.814SS**  35110.6111-48.30000120.3
897T28.4Very low27.9Very low141 Ų141141.2 Ų141.287%0.86581%0.808SS**  trans-133.9115.115043.60000110.9
898L28.9Very low28Very low178 Ų178143.4 Ų143.493%0.93281%0.809SS**  trans-121.6124.8169.8-80.3173.8000108.8
899P31.3Very low28Very low100 Ų100138.9 Ų138.965%0.64981%0.807SS**  trans-99.3111.5166.133.5-26000110.7
900F25.3Very low27.9Very low198 Ų198136.6 Ų136.687%0.86880%0.802SS**  161.8147.1117.8-81-60.4000111.1
901P32Very low27.8Very low97 Ų97139.1 Ų139.163%0.6381%0.805SS**PPolyproline II helixtrans-92.4155-15735.4-37.3000115.2Y903P901-Y903 HydrophobicContact CG-CE2 4.42Å
902V28.2Very low27.7Very low138 Ų138140.1 Ų140.184%0.83680%0.801SS**PPolyproline II helixtrans-94.8122161.8176.20000108.6
903Y26.6Very low27.6Very low201 Ų201138.4 Ų138.479%0.78880%0.797SS**PPolyproline II helixtrans-80.8130.9169.7-87.5-87.9000111.2P901P901-Y903 HydrophobicContact CG-CE2 4.42Å
904S27.2Very low27.7Very low107 Ų107141.4 Ų141.475%0.74879%0.791SS**  trans-151.6118.9164.8-77.40000108.6
905N29.8Very low27.7Very low161 Ų161144 Ų14486%0.86179%0.79SS**  trans-77.9127.6-176.7-77.6-11.8000111.4
906G26.4Very low27.8Very low74 Ų74144 Ų14476%0.76379%0.79SS**  trans-133.8140.816700000109.4
907I30.3Very low28.1Very low146 Ų146145 Ų14575%0.74978%0.783SS**  trans-116.7139.6-162-72.5176.5000112.6
908H28.9Very low28.4Very low182 Ų182149.6 Ų149.684%0.84380%0.802SS**  trans58.3103.6165.3-67.7-43.8000120.8
909A25.3Very low28.4Very low99 Ų99148.2 Ų148.282%0.81880%0.795SS**  -152.6112.1121.400000107.2
910A24.9Very low28.2Very low93 Ų93150.7 Ų150.777%0.76980%0.803SS**  74.987.463.800000114.2
911Q25.8Very low28.4Very low185 Ų185148.1 Ų148.186%0.86480%0.8SS**  trans-162.5134.1134.5-113.7169.313.800114.7
912T27.2Very low28.2Very low125 Ų125151.1 Ų151.177%0.76781%0.809SS**  trans23.4122.9150.350.30000121.4
913L25.9Very low28.2Very low169 Ų169151.9 Ų151.989%0.88581%0.808SS**  trans-137.8122.2142.6-153.5160.6000107.5
914E28.4Very low28.3Very low136 Ų136148.7 Ų148.764%0.63681%0.809SS**  trans-93.4141.1175.9-77.1-159.482.200111.3
915R27.9Very low28.4Very low208 Ų208151.6 Ų151.679%0.78581%0.813SS**  trans50.5133.4147.8-67172.1161.2102.42117.5
916K26.6Very low28.3Very low174 Ų174150.9 Ų150.976%0.75781%0.81SS**  -162.6166.359.3-168.6173175.5-1710112.7
917E34.8Very low28.4Very low134 Ų134157.3 Ų157.363%0.62681%0.814SS**  trans-34.3155.3164.6-56.4110.6-155.200115.3
918D35.3Very low28.3Very low237 Ų237158.4 Ų158.4100%1.26782%0.82SS**  cis-119.1012-69.9-70.8000114

Retrieved 918 of 918 residues in 109.2 ms (Link to these results)

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