A0A3Q0KHB6_SCHMA Loading...

Putative retinoblastoma-binding protein 4 (Rbbp4)

AlphaFold DB , UniProt , Accession A0A3Q0KHB6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 424 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
1M45.7Very low67.1Low245 Ų245117.7 Ų117.7100%1.20762%0.62SS**  0103.20-157.2164.1-179.100104.9
2M48.5Very low69.1Low188 Ų188115.6 Ų115.693%0.92662%0.615SS**PPolyproline II helixtrans-78.9122.5176-75.7-176.4179.600106.4
3L48.9Very low70.7Confident123 Ų123114.3 Ų114.364%0.64460%0.603SS**PPolyproline II helixtrans-59.9139.4172.1-72.2161.2000108.7D7L3-D7 HydrophobicContact CD2-CB 4.43Å
4H58.4Low72.2Confident132 Ų132114.8 Ų114.861%0.61160%0.601SS**PPolyproline II helixtrans-66.7150174.3-91.7-82.8000109.5S6 D7 S8H4-S6 PolarHBondContact O-N 2.84Å; H4-D7 PolarHBondContact N-OD2 2.72Å; H4-D7 VanDerWaalsContact N-OD2 3.15Å; H4-D7 WeakPolarHBondContact O-CB 3.04Å; H4-D7 PolarHBondContact O-N 2.68Å; H4-D7 VanDerWaalsContact O-N 3.1Å; H4-S8 PolarHBondContact O-N 2.66Å
5P66.2Low73.5Confident96 Ų96119.5 Ų119.562%0.62361%0.607SS**Hα-helixtrans-55.6-36.9180-25.133.4000113.4S8 E9P5-S8 PolarHBondContact O-N 2.77Å; P5-S8 PolarHBondContact O-OG 2.94Å; P5-E9 PolarHBondContact O-N 2.75Å
6S69.4Low74.8Confident61 Ų61116.3 Ų116.343%0.42760%0.595SS.*Hα-helixtrans-59.8-47.9174.651.20000111.9H4 S8 E9 D10H4-S6 PolarHBondContact O-N 2.84Å; S6-S8 PolarHBondContact O-N 2.9Å; S6-E9 PolarHBondContact O-N 3.01Å; S6-D10 PolarHBondContact O-N 3.25Å
7D70Confident75.9Confident62 Ų62110.9 Ų110.933%0.33257%0.568SS.*Hα-helixtrans-58.3-30.6179.3-50.1-16.3000111.2L3 H4 I11L3-D7 HydrophobicContact CD2-CB 4.43Å; H4-D7 PolarHBondContact N-OD2 2.72Å; H4-D7 VanDerWaalsContact N-OD2 3.15Å; H4-D7 WeakPolarHBondContact O-CB 3.04Å; H4-D7 PolarHBondContact O-N 2.68Å; H4-D7 VanDerWaalsContact O-N 3.1Å; D7-I11 WeakPolarHBondContact O-CB 3.23Å; D7-I11 WeakPolarHBondContact O-CD1 3.49Å; D7-I11 WeakPolarHBondContact O-CG1 3.46Å; D7-I11 PolarHBondContact O-N 2.96Å
8S77.2Confident76.8Confident58 Ų58108.6 Ų108.641%0.40656%0.557SS.*Hα-helixtrans-75.9-32.5178.474.30000113.8H4 P5 S6 V12H4-S8 PolarHBondContact O-N 2.66Å; P5-S8 PolarHBondContact O-N 2.77Å; P5-S8 PolarHBondContact O-OG 2.94Å; S6-S8 PolarHBondContact O-N 2.9Å; S8-V12 VanDerWaalsContact O-CG2 3.26Å; S8-V12 WeakPolarHBondContact O-CG2 3.4Å; S8-V12 PolarHBondContact O-N 2.92Å
9E82Confident77.7Confident142 Ų142107.6 Ų107.666%0.66455%0.55SS*.Hα-helixtrans-71.3-45.1175-73.2180168.600110.4P5 S6 I11 V12 E13P5-E9 PolarHBondContact O-N 2.75Å; S6-E9 PolarHBondContact O-N 3.01Å; E9-I11 VanDerWaalsContact C-N 3.33Å; E9-I11 PolarHBondContact O-N 3.03Å; E9-V12 WeakPolarHBondContact O-CB 3.4Å; E9-V12 PolarHBondContact O-N 2.88Å; E9-E13 PolarHBondContact O-N 3.13Å
10D84.6Confident78.5Confident97 Ų97105.3 Ų105.352%0.51954%0.536SS..Hα-helixtrans-58.2-44.2177.8-62.8-22.3000111.6S6 V12 E13 E14S6-D10 PolarHBondContact O-N 3.25Å; D10-V12 VanDerWaalsContact C-N 3.3Å; D10-V12 PolarHBondContact O-N 2.75Å; D10-E13 PolarHBondContact O-N 3.39Å; D10-E14 WeakPolarHBondContact O-CB 3.43Å; D10-E14 PolarHBondContact O-N 3.32Å
11I87.3Confident79.2Confident91 Ų91103.1 Ų103.147%0.46752%0.522SS..Hα-helixtrans-63.5-36.6177-70165.5000111.7D7 E9 R15D7-I11 WeakPolarHBondContact O-CB 3.23Å; D7-I11 WeakPolarHBondContact O-CD1 3.49Å; D7-I11 WeakPolarHBondContact O-CG1 3.46Å; D7-I11 PolarHBondContact O-N 2.96Å; E9-I11 VanDerWaalsContact C-N 3.33Å; E9-I11 PolarHBondContact O-N 3.03Å; I11-R15 WeakPolarHBondContact O-CB 3.46Å; I11-R15 PolarHBondContact O-N 3.18Å; I11-R15 VanDerWaalsContact O-N 3.14Å
12V91.1Very high81.4Confident92 Ų9297.2 Ų97.256%0.55849%0.49SS*.Hα-helixtrans-70-43.7178.1170.30000110.1S8 E9 D10 R15 V16S8-V12 VanDerWaalsContact O-CG2 3.26Å; S8-V12 WeakPolarHBondContact O-CG2 3.4Å; S8-V12 PolarHBondContact O-N 2.92Å; E9-V12 WeakPolarHBondContact O-CB 3.4Å; E9-V12 PolarHBondContact O-N 2.88Å; D10-V12 VanDerWaalsContact C-N 3.3Å; D10-V12 PolarHBondContact O-N 2.75Å; V12-R15 PolarHBondContact O-N 3.15Å; V12-V16 WeakPolarHBondContact O-CG2 3.49Å; V12-V16 PolarHBondContact O-N 2.62Å
13E90.3Very high83.6Confident99 Ų9993.1 Ų93.146%0.46347%0.47SS..Hα-helixtrans-61.8-49.1176.7-171.6177.4179.600111.3E9 D10 R15 V16 I17 R339E9-E13 PolarHBondContact O-N 3.13Å; D10-E13 PolarHBondContact O-N 3.39Å; E13-R15 PolarHBondContact O-N 3.09Å; E13-V16 WeakPolarHBondContact O-CB 3.3Å; E13-V16 PolarHBondContact O-N 3.46Å; E13-I17 HydrophobicContact CG-CD1 3.93Å; E13-I17 HydrophobicContact CG-CG1 4.34Å; E13-I17 WeakPolarHBondContact O-CG1 3.42Å; E13-I17 PolarHBondContact O-N 3.22Å; E13-R339 IonicContact OE1-CZ 2.91Å; E13-R339 IonicContact OE1-NH1 3.05Å; E13-R339 PolarHBondContact OE1-NH1 2.98Å
14E91.1Very high85.8Confident121 Ų12188 Ų8857%0.56544%0.443SS*.Hα-helixtrans-57-37.2177.9-168.3-171.4171.600111.5D10 N18D10-E14 WeakPolarHBondContact O-CB 3.43Å; D10-E14 PolarHBondContact O-N 3.32Å; E14-N18 WeakPolarHBondContact O-CB 3.35Å; E14-N18 PolarHBondContact O-N 2.85Å; E14-N18 PolarHBondContact O-ND2 2.91Å
15R92.4Very high87.3Confident185 Ų18583.8 Ų83.870%0.69842%0.423SS*.Hα-helixtrans-67.4-41.9175.3-174.9177.7173-170.2-4.2112.2I11 V12 E13 N18 E19I11-R15 WeakPolarHBondContact O-CB 3.46Å; I11-R15 PolarHBondContact O-N 3.18Å; I11-R15 VanDerWaalsContact O-N 3.14Å; V12-R15 PolarHBondContact O-N 3.15Å; E13-R15 PolarHBondContact O-N 3.09Å; R15-N18 PolarHBondContact O-N 3.47Å; R15-E19 WeakPolarHBondContact O-CG 3.4Å; R15-E19 PolarHBondContact O-N 3.03Å; R15-E19 VanDerWaalsContact O-N 3.1Å
16V93.7Very high88.5Confident69 Ų6989 Ų8942%0.41843%0.429SS..Hα-helixtrans-62.2-47.4176.21720000110V12 E13 N18 E19 E20V12-V16 WeakPolarHBondContact O-CG2 3.49Å; V12-V16 PolarHBondContact O-N 2.62Å; E13-V16 WeakPolarHBondContact O-CB 3.3Å; E13-V16 PolarHBondContact O-N 3.46Å; V16-N18 VanDerWaalsContact C-N 3.32Å; V16-N18 PolarHBondContact O-N 3.28Å; V16-E19 PolarHBondContact O-N 3.32Å; V16-E20 HydrophobicContact CG1-CG 4.25Å; V16-E20 WeakPolarHBondContact O-CG 3.5Å; V16-E20 PolarHBondContact O-N 3.04Å
17I93.2Very high89.6Confident24 Ų2489.2 Ų89.212%0.12343%0.426CS..Hα-helixtrans-54.3-49.3177.4-68.2171.2000111E13 E19 E20 Y21 R339 T373E13-I17 HydrophobicContact CG-CD1 3.93Å; E13-I17 HydrophobicContact CG-CG1 4.34Å; E13-I17 WeakPolarHBondContact O-CG1 3.42Å; E13-I17 PolarHBondContact O-N 3.22Å; I17-E19 VanDerWaalsContact C-N 3.35Å; I17-E19 PolarHBondContact O-N 3.44Å; I17-E20 PolarHBondContact O-N 2.66Å; I17-Y21 WeakPolarHBondContact O-CB 3.32Å; I17-Y21 PolarHBondContact O-N 3.22Å; I17-R339 VanDerWaalsContact CG1-CZ 3.45Å; I17-T373 HydrophobicContact CG2-CG2 3.74Å
18N91.9Very high90.7Very high70 Ų7086.3 Ų86.337%0.37441%0.41SS..Hα-helixtrans-65.6-35.3-178.6-80.1-50.6000113.2E14 R15 V16 K22E14-N18 WeakPolarHBondContact O-CB 3.35Å; E14-N18 PolarHBondContact O-N 2.85Å; E14-N18 PolarHBondContact O-ND2 2.91Å; R15-N18 PolarHBondContact O-N 3.47Å; V16-N18 VanDerWaalsContact C-N 3.32Å; V16-N18 PolarHBondContact O-N 3.28Å; N18-K22 VanDerWaalsContact O-CG 3.27Å; N18-K22 WeakPolarHBondContact O-CG 3.14Å; N18-K22 PolarHBondContact O-N 3.13Å
19E94.6Very high91.2Very high90 Ų9085.9 Ų85.942%0.42141%0.407SS..Hα-helixtrans-72.9-42.9175.9-69.2-58.1132.600111.8R15 V16 I17 Y21 K22 I23R15-E19 WeakPolarHBondContact O-CG 3.4Å; R15-E19 PolarHBondContact O-N 3.03Å; R15-E19 VanDerWaalsContact O-N 3.1Å; V16-E19 PolarHBondContact O-N 3.32Å; I17-E19 VanDerWaalsContact C-N 3.35Å; I17-E19 PolarHBondContact O-N 3.44Å; E19-Y21 VanDerWaalsContact C-N 3.32Å; E19-Y21 PolarHBondContact O-N 2.92Å; E19-K22 PolarHBondContact O-N 3.44Å; E19-K22 IonicContact OE1-NZ 2.78Å; E19-K22 PolarHBondContact OE1-NZ 3.29Å; E19-I23 WeakPolarHBondContact O-CG1 3.34Å; E19-I23 PolarHBondContact O-N 2.75Å
20E93.9Very high91.6Very high60 Ų6086.4 Ų86.428%0.2841%0.407SS..Hα-helixtrans-58.6-44.3173.8-72.4-178.3157.700111.4V16 I17 K22 I23 W24 R340V16-E20 HydrophobicContact CG1-CG 4.25Å; V16-E20 WeakPolarHBondContact O-CG 3.5Å; V16-E20 PolarHBondContact O-N 3.04Å; I17-E20 PolarHBondContact O-N 2.66Å; E20-K22 VanDerWaalsContact C-N 3.34Å; E20-K22 PolarHBondContact O-N 3.24Å; E20-I23 PolarHBondContact O-N 2.91Å; E20-W24 WeakPolarHBondContact O-CB 3.33Å; E20-W24 PolarHBondContact O-N 3.42Å; E20-R340 IonicContact OE2-CZ 3.78Å; E20-R340 IonicContact OE2-NH2 2.68Å; E20-R340 PolarHBondContact OE2-NH2 3.3Å
21Y93.1Very high92Very high61 Ų6184.4 Ų84.424%0.23940%0.396CS..Hα-helixtrans-62.4-39.3178.2-177.5-104.8000112.5I17 E19 W24 K25 G371 T373I17-Y21 WeakPolarHBondContact O-CB 3.32Å; I17-Y21 PolarHBondContact O-N 3.22Å; E19-Y21 VanDerWaalsContact C-N 3.32Å; E19-Y21 PolarHBondContact O-N 2.92Å; Y21-W24 AromaticContact CD2-CE3 3.66Å; Y21-W24 HydrophobicContact CD2-CE3 3.66Å; Y21-W24 AromaticContact CD2-CZ3 3.93Å; Y21-W24 HydrophobicContact CD2-CZ3 3.93Å; Y21-W24 AromaticContact CE2-CE3 3.49Å; Y21-W24 HydrophobicContact CE2-CE3 3.49Å; Y21-W24 VanDerWaalsContact CE2-CE3 3.49Å; Y21-W24 HydrophobicContact CE2-CH2 4.27Å; Y21-W24 AromaticContact CE2-CZ3 3.25Å; Y21-W24 HydrophobicContact CE2-CZ3 3.25Å; Y21-W24 HydrophobicContact CG-CE3 4.49Å; Y21-W24 AromaticContact CZ-CZ3 3.78Å; Y21-W24 PolarHBondContact O-N 3.23Å; Y21-K25 WeakPolarHBondContact O-CB 3.46Å; Y21-K25 PolarHBondContact O-N 2.94Å; Y21-G371 VanDerWaalsContact CE2-O 3.28Å; Y21-G371 WeakPolarHBondContact CE2-O 3.28Å; Y21-T373 HydrophobicContact CD2-CG2 3.73Å; Y21-T373 HydrophobicContact CE2-CG2 4.38Å; Y21-T373 HydrophobicContact CG-CG2 3.81Å
22K92.6Very high92.2Very high121 Ų12180.1 Ų80.153%0.52637%0.374SS..Hα-helixtrans-63.9-41.2174.5-72.8169.4-165.5169.40112N18 E19 E20 R26N18-K22 VanDerWaalsContact O-CG 3.27Å; N18-K22 WeakPolarHBondContact O-CG 3.14Å; N18-K22 PolarHBondContact O-N 3.13Å; E19-K22 PolarHBondContact O-N 3.44Å; E19-K22 IonicContact OE1-NZ 2.78Å; E19-K22 PolarHBondContact OE1-NZ 3.29Å; E20-K22 VanDerWaalsContact C-N 3.34Å; E20-K22 PolarHBondContact O-N 3.24Å; K22-R26 PolarHBondContact O-N 2.81Å
23I94.4Very high92.1Very high102 Ų10279.1 Ų79.152%0.52337%0.365SS..Hα-helixtrans-64.8-47.9177.1-65.7167000109.7E19 E20 K25 R26 N27E19-I23 WeakPolarHBondContact O-CG1 3.34Å; E19-I23 PolarHBondContact O-N 2.75Å; E20-I23 PolarHBondContact O-N 2.91Å; I23-K25 PolarHBondContact O-N 3.08Å; I23-R26 WeakPolarHBondContact O-CB 3.19Å; I23-R26 PolarHBondContact O-N 3.34Å; I23-R26 VanDerWaalsContact O-N 3.14Å; I23-N27 PolarHBondContact O-N 2.88Å; I23-N27 PolarHBondContact O-ND2 2.83Å
24W94.7Very high92Very high15 Ų1574.6 Ų74.66%0.05734%0.344CS..Hα-helixtrans-54.8-51175.1168.781.6000111.6E20 Y21 R26 N27 T28 Y32 L35 A370E20-W24 WeakPolarHBondContact O-CB 3.33Å; E20-W24 PolarHBondContact O-N 3.42Å; Y21-W24 AromaticContact CD2-CE3 3.66Å; Y21-W24 HydrophobicContact CD2-CE3 3.66Å; Y21-W24 AromaticContact CD2-CZ3 3.93Å; Y21-W24 HydrophobicContact CD2-CZ3 3.93Å; Y21-W24 AromaticContact CE2-CE3 3.49Å; Y21-W24 HydrophobicContact CE2-CE3 3.49Å; Y21-W24 VanDerWaalsContact CE2-CE3 3.49Å; Y21-W24 HydrophobicContact CE2-CH2 4.27Å; Y21-W24 AromaticContact CE2-CZ3 3.25Å; Y21-W24 HydrophobicContact CE2-CZ3 3.25Å; Y21-W24 HydrophobicContact CG-CE3 4.49Å; Y21-W24 AromaticContact CZ-CZ3 3.78Å; Y21-W24 PolarHBondContact O-N 3.23Å; W24-R26 PolarHBondContact O-N 2.91Å; W24-R26 VanDerWaalsContact O-N 3.11Å; W24-N27 PolarHBondContact O-N 3.06Å; W24-T28 HydrophobicContact CD2-CG2 3.91Å; W24-T28 HydrophobicContact CE3-CG2 4.25Å; W24-T28 HydrophobicContact CH2-CG2 3.99Å; W24-T28 HydrophobicContact CZ2-CG2 3.59Å; W24-T28 HydrophobicContact CZ3-CG2 4.27Å; W24-T28 PolarHBondContact O-N 3.19Å; W24-Y32 HydrophobicContact CZ2-CE2 4.29Å; W24-Y32 AromaticContact NE1-CE2 3.55Å; W24-Y32 AromaticContact NE1-CZ 3.59Å; W24-Y32 PolarHBondContact NE1-OH 3.34Å; W24-L35 HydrophobicContact CH2-CD1 4.32Å; W24-L35 HydrophobicContact CH2-CD2 3.62Å; W24-L35 HydrophobicContact CZ2-CD1 4.23Å; W24-L35 HydrophobicContact CZ2-CD2 3.69Å; W24-A370 HydrophobicContact CG-CB 4.3Å
25K90.4Very high92Very high44 Ų4468.9 Ų68.919%0.19132%0.318CS..Hα-helixtrans-59.4-25.9179.6-169-177.2-176-1670113.4Y21 I23 T28 Y97 G105Y21-K25 WeakPolarHBondContact O-CB 3.46Å; Y21-K25 PolarHBondContact O-N 2.94Å; I23-K25 PolarHBondContact O-N 3.08Å; K25-T28 PolarHBondContact O-OG1 3.32Å; K25-Y97 PolarHBondContact O-OH 2.81Å; K25-Y97 VanDerWaalsContact O-OH 3.07Å; K25-G105 VanDerWaalsContact CE-CA 3.45Å
26R91.1Very high91.9Very high204 Ų20461.5 Ų61.577%0.7729%0.291SS*.Hα-helixtrans-77-29.1174.8-175177.7175.2-171.8-3.1112.3K22 I23 W24K22-R26 PolarHBondContact O-N 2.81Å; I23-R26 WeakPolarHBondContact O-CB 3.19Å; I23-R26 PolarHBondContact O-N 3.34Å; I23-R26 VanDerWaalsContact O-N 3.14Å; W24-R26 PolarHBondContact O-N 2.91Å; W24-R26 VanDerWaalsContact O-N 3.11Å
27N92.7Very high91.7Very high66 Ų6659.2 Ų59.235%0.35328%0.279SS..Hα-helixtrans-94.5-12.7-175.9-66.2-22.3000113.2I23 W24 P29 F30 L31I23-N27 PolarHBondContact O-N 2.88Å; I23-N27 PolarHBondContact O-ND2 2.83Å; W24-N27 PolarHBondContact O-N 3.06Å; N27-P29 VanDerWaalsContact C-N 3.28Å; N27-P29 VanDerWaalsContact O-N 3.13Å; N27-F30 PolarHBondContact O-N 3.32Å; N27-L31 HydrophobicContact CB-CD1 3.84Å; N27-L31 HydrophobicContact CB-CG 4.42Å; N27-L31 WeakPolarHBondContact O-CG 3.22Å; N27-L31 PolarHBondContact O-N 3.1Å
28T91.3Very high91.7Very high1 Ų161.4 Ų61.41%0.00629%0.288CS..Hα-helixtrans-50.9-34.6-179.139.60000114.8W24 K25 F30 L31 Y32 L35 Y97W24-T28 HydrophobicContact CD2-CG2 3.91Å; W24-T28 HydrophobicContact CE3-CG2 4.25Å; W24-T28 HydrophobicContact CH2-CG2 3.99Å; W24-T28 HydrophobicContact CZ2-CG2 3.59Å; W24-T28 HydrophobicContact CZ3-CG2 4.27Å; W24-T28 PolarHBondContact O-N 3.19Å; K25-T28 PolarHBondContact O-OG1 3.32Å; T28-F30 PolarHBondContact O-N 3.46Å; T28-F30 VanDerWaalsContact O-N 3.11Å; T28-L31 PolarHBondContact O-N 2.96Å; T28-Y32 HydrophobicContact CG2-CD2 3.84Å; T28-Y32 HydrophobicContact CG2-CE2 3.75Å; T28-Y32 WeakPolarHBondContact O-CD2 3.45Å; T28-Y32 PolarHBondContact O-N 3.36Å; T28-L35 HydrophobicContact CG2-CD2 3.56Å; T28-Y97 PolarHBondContact OG1-OH 2.91Å
29P88Confident91.8Very high50 Ų5061.2 Ų61.233%0.32529%0.292SS..Hα-helixtrans-63.3-18.3176.9-24.736.5000115.5N27 Y97 F107N27-P29 VanDerWaalsContact C-N 3.28Å; N27-P29 VanDerWaalsContact O-N 3.13Å; P29-Y97 HydrophobicContact CG-CD1 4.31Å; P29-Y97 HydrophobicContact CG-CE1 3.76Å; P29-Y97 HydrophobicContact CG-CE2 4.18Å; P29-F107 HydrophobicContact CB-CE1 4.42Å; P29-F107 HydrophobicContact CB-CZ 4.23Å
30F90.3Very high91.8Very high152 Ų15257.6 Ų57.667%0.66728%0.275SS*.Hα-helixtrans-101.6-14.4179.7-53.7-74.8000112.9N27 T28N27-F30 PolarHBondContact O-N 3.32Å; T28-F30 PolarHBondContact O-N 3.46Å; T28-F30 VanDerWaalsContact O-N 3.11Å
31L93.5Very high91.9Very high55 Ų5560.5 Ų60.529%0.28829%0.289SS..Hα-helixtrans-108-17.7-169.3-65.8177.3000113.1N27 T28 F367 M403 A404N27-L31 HydrophobicContact CB-CD1 3.84Å; N27-L31 HydrophobicContact CB-CG 4.42Å; N27-L31 WeakPolarHBondContact O-CG 3.22Å; N27-L31 PolarHBondContact O-N 3.1Å; T28-L31 PolarHBondContact O-N 2.96Å; L31-F367 HydrophobicContact CB-CE2 4.13Å; L31-F367 HydrophobicContact CB-CZ 4.23Å; L31-F367 HydrophobicContact CD2-CE2 4.25Å; L31-M403 WeakPolarHBondContact O-CA 3.3Å; L31-A404 PolarHBondContact O-N 2.76Å
32Y92Very high92.1Very high2 Ų260.8 Ų60.81%0.00829%0.29CS..EExtended strand (participates in β ladder)trans-133.8144.8-173.5-57.5-88.8000110.4W24 T28 L35 F107 F367 H369 W401 Q402W24-Y32 HydrophobicContact CZ2-CE2 4.29Å; W24-Y32 AromaticContact NE1-CE2 3.55Å; W24-Y32 AromaticContact NE1-CZ 3.59Å; W24-Y32 PolarHBondContact NE1-OH 3.34Å; T28-Y32 HydrophobicContact CG2-CD2 3.84Å; T28-Y32 HydrophobicContact CG2-CE2 3.75Å; T28-Y32 WeakPolarHBondContact O-CD2 3.45Å; T28-Y32 PolarHBondContact O-N 3.36Å; Y32-L35 HydrophobicContact CG-CB 4.45Å; Y32-F107 WeakPolarHBondContact O-CE2 3.35Å; Y32-F367 HydrophobicContact CD1-CZ 4.33Å; Y32-F367 AromaticContact CE1-CE1 3.78Å; Y32-F367 HydrophobicContact CE1-CE1 3.78Å; Y32-F367 AromaticContact CE1-CZ 3.64Å; Y32-F367 HydrophobicContact CE1-CZ 3.64Å; Y32-F367 HydrophobicContact CE2-CZ 4.2Å; Y32-F367 AromaticContact CZ-CE1 3.92Å; Y32-F367 AromaticContact CZ-CZ 3.54Å; Y32-F367 WeakPolarHBondContact OH-CZ 3.38Å; Y32-H369 AromaticContact CE1-ND1 3.57Å; Y32-H369 AromaticContact CZ-ND1 3.62Å; Y32-H369 PolarHBondContact OH-ND1 3.23Å; Y32-W401 HydrophobicContact CD1-CB 4.04Å; Y32-W401 HydrophobicContact CD1-CE3 4.09Å; Y32-W401 HydrophobicContact CE1-CB 4.19Å; Y32-W401 HydrophobicContact CE1-CD2 4.16Å; Y32-W401 AromaticContact CE1-CE3 3.71Å; Y32-W401 HydrophobicContact CE1-CE3 3.71Å; Y32-W401 HydrophobicContact CE1-CG 4.38Å; Y32-W401 HydrophobicContact CE1-CZ3 4.44Å; Y32-Q402 CarbonylContact C-O 3.6Å; Y32-Q402 VanDerWaalsContact CA-O 3.23Å; Y32-Q402 WeakPolarHBondContact CA-O 3.26Å; Y32-Q402 WeakPolarHBondContact CB-O 3.38Å
33D88.9Confident92.3Very high71 Ų7155.8 Ų55.838%0.3827%0.269SS..EExtended strand (participates in β ladder)trans-90.5-30.1163.7-69.2-30.1000110.5Q402 A404 E405D33-Q402 PolarHBondContact N-O 3.41Å; D33-A404 WeakPolarHBondContact OD2-CA 3.5Å; D33-E405 PolarHBondContact OD2-N 3.08Å
34M89.1Confident92.5Very high3 Ų351 Ų512%0.01524%0.244CC..EExtended strand (participates in β ladder)trans-137.1135.2176.1-178.8175.55400110L85 P86 F109 A388 I400 W401 Q402M34-L85 HydrophobicContact CE-CD2 4.33Å; M34-L85 HydrophobicContact SD-CD2 3.95Å; M34-P86 HydrophobicContact SD-CG 3.91Å; M34-F109 HydrophobicContact CG-CE2 4.16Å; M34-A388 HydrophobicContact CE-CB 3.99Å; M34-I400 HydrophobicContact CE-CG2 4.36Å; M34-W401 CarbonylContact O-C 3.07Å; M34-W401 WeakPolarHBondContact O-CA 3.41Å; M34-Q402 HydrophobicContact CB-CB 3.88Å; M34-Q402 HydrophobicContact CE-CB 4.06Å; M34-Q402 PolarHBondContact N-O 3.39Å; M34-Q402 PolarHBondContact O-N 3.21Å
35L90.5Very high92.7Very high2 Ų251.3 Ų51.31%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-148.1117.2169.7176.763.1000108.4W24 T28 Y32 G105 G106 F107 I400 W401W24-L35 HydrophobicContact CH2-CD1 4.32Å; W24-L35 HydrophobicContact CH2-CD2 3.62Å; W24-L35 HydrophobicContact CZ2-CD1 4.23Å; W24-L35 HydrophobicContact CZ2-CD2 3.69Å; T28-L35 HydrophobicContact CG2-CD2 3.56Å; Y32-L35 HydrophobicContact CG-CB 4.45Å; L35-G105 WeakPolarHBondContact CD2-O 3.1Å; L35-G106 WeakPolarHBondContact O-CA 3.18Å; L35-F107 PolarHBondContact O-N 3.33Å; L35-I400 CarbonylContact C-O 3.57Å; L35-W401 HydrophobicContact CD1-CB 3.76Å
36M89.4Confident93.1Very high29 Ų2949.2 Ų49.214%0.14324%0.238CC..EExtended strand (participates in β ladder)trans-119.2134.9171.2-58.817565.200107.3L85 Q399 I400M36-L85 HydrophobicContact SD-CD2 3.85Å; M36-Q399 CarbonylContact O-C 3.49Å; M36-Q399 VanDerWaalsContact O-CA 3.28Å; M36-Q399 WeakPolarHBondContact O-CA 3.5Å; M36-I400 HydrophobicContact CB-CB 4.27Å; M36-I400 PolarHBondContact N-O 2.95Å; M36-I400 PolarHBondContact O-N 3.06Å
37S90.7Very high93.5Very high22 Ų2239.5 Ų39.515%0.15420%0.202CC..EExtended strand (participates in β ladder)trans-129.2135.9175.8178.10000108.6F104S37-F104 VanDerWaalsContact C-CD1 3.45Å; S37-F104 WeakPolarHBondContact O-CD1 3.5Å; S37-F104 WeakPolarHBondContact O-CG 3.25Å; S37-F104 WeakPolarHBondContact OG-CD1 3.18Å
38H91.7Very high93.8Very high69 Ų6938 Ų3832%0.31919%0.192SC..EExtended strand (participates in β ladder)trans-140.2127.5-175.1-176.1-76.6000109.8L40 L114 L398H38-L40 PolarHBondContact O-N 3.46Å; H38-L114 HydrophobicContact CB-CD1 4.36Å; H38-L398 PolarHBondContact N-O 2.88Å; H38-L398 PolarHBondContact O-N 2.86Å
39C94.2Very high94.1Very high67 Ų6738.3 Ų38.345%0.45319%0.193SC..EExtended strand (participates in β ladder)trans-83.7113172.6-174.10000109.7F104 I397C39-F104 HydrophobicContact CB-CE1 4.24Å; C39-F104 HydrophobicContact CB-CZ 3.82Å; C39-I397 HydrophobicContact CB-CD1 4.25Å
40L95.5Very high94.6Very high14 Ų1436 Ų367%0.07318%0.178CC..  trans-73.3154.4175.9-60.9172.9000110.9H38 W42 L67 N396 L398H38-L40 PolarHBondContact O-N 3.46Å; L40-W42 VanDerWaalsContact C-N 3.25Å; L40-W42 WeakPolarHBondContact CB-O 3.32Å; L40-W42 PolarHBondContact O-N 3.1Å; L40-L67 HydrophobicContact CD1-CD1 4.35Å; L40-L67 HydrophobicContact CD2-CD1 4.12Å; L40-N396 HydrophobicContact CB-CB 4.49Å; L40-N396 WeakPolarHBondContact CB-O 3.49Å; L40-N396 PolarHBondContact N-O 3.12Å; L40-N396 WeakPolarHBondContact O-CB 3.44Å; L40-N396 PolarHBondContact O-ND2 2.93Å; L40-N396 VanDerWaalsContact O-ND2 3.16Å; L40-L398 HydrophobicContact CD1-CB 4.08Å; L40-L398 HydrophobicContact CD2-CB 4.27Å; L40-L398 HydrophobicContact CD2-CD2 4.31Å; L40-L398 HydrophobicContact CG-CB 4.06Å
41E95.1Very high95Very high121 Ų12130.5 Ų30.557%0.56516%0.158SC*.SBendtrans-58.9-41.5172.9-174.9-179.5-159.800111.2K119 N396E41-K119 IonicContact OE2-NZ 3.45Å; E41-K119 PolarHBondContact OE2-NZ 2.98Å; E41-N396 PolarHBondContact O-ND2 2.82Å; E41-N396 VanDerWaalsContact O-ND2 3.1Å
42W97.1Very high95Very high67 Ų6730.8 Ų30.825%0.25417%0.165SC..SBendtrans-135.4151.5177.3-68.5111.2000109.9L40 T69 T71 E74 N396L40-W42 VanDerWaalsContact C-N 3.25Å; L40-W42 WeakPolarHBondContact CB-O 3.32Å; L40-W42 PolarHBondContact O-N 3.1Å; W42-T69 HydrophobicContact CB-CG2 4.31Å; W42-T71 HydrophobicContact CB-CG2 4Å; W42-T71 HydrophobicContact CD2-CG2 3.56Å; W42-T71 HydrophobicContact CE3-CG2 4.19Å; W42-T71 HydrophobicContact CG-CG2 3.42Å; W42-T71 VanDerWaalsContact CG-CG2 3.42Å; W42-E74 VanDerWaalsContact CZ2-CD 3.4Å; W42-E74 HydrophobicContact CZ2-CG 4.02Å; W42-E74 WeakPolarHBondContact CZ2-OE2 3.44Å; W42-E74 PolarHBondContact NE1-OE2 3.12Å; W42-E74 VanDerWaalsContact NE1-OE2 3.17Å; W42-N396 WeakPolarHBondContact CA-ND2 3.33Å
43P98Very high95.1Very high16 Ų1632.7 Ų32.710%0.10418%0.177CC..  trans-56151173-19.529.7000111.7T69 H70 E394 N396P43-T69 CarbonylContact O-C 3.48Å; P43-T69 WeakPolarHBondContact O-CA 3.46Å; P43-H70 PolarHBondContact O-N 3.45Å; P43-E394 VanDerWaalsContact CG-O 3.28Å; P43-E394 WeakPolarHBondContact CG-O 3.27Å; P43-N396 WeakPolarHBondContact CD-OD1 3.5Å; P43-N396 WeakPolarHBondContact CG-OD1 3.16Å
44S98.7Very high95.3Very high0 Ų034.8 Ų34.80%018%0.184CC..  trans-114124.5171.2-171.20000109.3T46 G68 V392S44-T46 PolarHBondContact O-N 2.58Å; S44-T46 PolarHBondContact OG-N 3.22Å; S44-T46 PolarHBondContact OG-O 3.36Å; S44-G68 WeakPolarHBondContact CA-O 3.41Å; S44-G68 VanDerWaalsContact CB-O 3.28Å; S44-G68 WeakPolarHBondContact CB-O 3.44Å; S44-G68 PolarHBondContact OG-N 3Å; S44-G68 PolarHBondContact OG-O 2.99Å; S44-G68 VanDerWaalsContact OG-O 3.13Å; S44-V392 WeakPolarHBondContact O-CG2 3.28Å
45L98.7Very high95.3Very high22 Ų2245 Ų4512%0.11522%0.222CC..SBendtrans-79.9-5.2172.1-63.4174.8000112.6H70 E125L45-H70 HydrophobicContact CD1-CB 4.05Å; L45-H70 HydrophobicContact CG-CB 3.92Å; L45-E125 HydrophobicContact CD1-CG 4.19Å
46T98.9Very high94.8Very high0 Ų046.9 Ų46.90%023%0.234CC..  trans-140.8145.4-174.5-162.90000112.4S44 L67 V126 A129 R130 D378S44-T46 PolarHBondContact O-N 2.58Å; S44-T46 PolarHBondContact OG-N 3.22Å; S44-T46 PolarHBondContact OG-O 3.36Å; T46-L67 WeakPolarHBondContact O-CD2 3.5Å; T46-V126 HydrophobicContact CG2-CG1 4.03Å; T46-A129 HydrophobicContact CG2-CB 3.8Å; T46-A129 PolarHBondContact OG1-N 2.91Å; T46-R130 PolarHBondContact OG1-NH1 2.78Å; T46-D378 WeakPolarHBondContact CA-OD2 3.31Å; T46-D378 PolarHBondContact OG1-OD2 3.43Å
47A98.8Very high94.3Very high0 Ų049.1 Ų49.10%026%0.264CS..EExtended strand (participates in β ladder)trans-144.8131.8172.100000109.9I66 L67 D378 V392A47-I66 WeakPolarHBondContact CA-O 3.47Å; A47-L67 HydrophobicContact CB-CD2 3.99Å; A47-D378 HydrophobicContact CB-CB 4.39Å; A47-D378 PolarHBondContact N-OD2 3.4Å; A47-V392 HydrophobicContact CB-CG1 4.16Å; A47-V392 HydrophobicContact CB-CG2 3.92Å
48Q98.9Very high94.1Very high35 Ų3555.2 Ų55.216%0.16428%0.284CS..EExtended strand (participates in β ladder)trans-150.2130.4170.9-164.3-177.734.600111L65 I66 R130 F131Q48-L65 CarbonylContact O-C 3.58Å; Q48-L65 WeakPolarHBondContact O-CA 3.23Å; Q48-I66 HydrophobicContact CB-CB 4.42Å; Q48-I66 PolarHBondContact N-O 3.1Å; Q48-I66 VanDerWaalsContact N-O 3.09Å; Q48-I66 PolarHBondContact O-N 3.45Å; Q48-R130 VanDerWaalsContact OE1-CA 3.25Å; Q48-F131 HydrophobicContact CG-CD1 4.17Å; Q48-F131 HydrophobicContact CG-CE1 4.07Å
49W98.6Very high93.8Very high7 Ų755.2 Ų55.23%0.02729%0.286CS..EExtended strand (participates in β ladder)trans-66.5133.1167.3-69.9101.2000111.1H63 L65 V83 L85 F131 S380 W381 N382 C390 I400W49-H63 HydrophobicContact CE3-CB 3.9Å; W49-H63 HydrophobicContact CH2-CB 4.38Å; W49-H63 HydrophobicContact CZ3-CB 3.43Å; W49-H63 VanDerWaalsContact CZ3-CB 3.43Å; W49-L65 HydrophobicContact CB-CD2 4.45Å; W49-L65 HydrophobicContact CD2-CD2 3.32Å; W49-L65 HydrophobicContact CD2-CG 4.1Å; W49-L65 HydrophobicContact CE3-CD2 3.45Å; W49-L65 VanDerWaalsContact CE3-CD2 3.45Å; W49-L65 HydrophobicContact CE3-CG 3.71Å; W49-L65 HydrophobicContact CG-CD2 3.77Å; W49-L65 HydrophobicContact CH2-CD1 4.13Å; W49-L65 HydrophobicContact CH2-CD2 4.11Å; W49-L65 HydrophobicContact CH2-CG 4.03Å; W49-L65 HydrophobicContact CZ2-CD1 4.42Å; W49-L65 HydrophobicContact CZ2-CD2 4Å; W49-L65 HydrophobicContact CZ2-CG 4.38Å; W49-L65 HydrophobicContact CZ3-CD1 4.22Å; W49-L65 HydrophobicContact CZ3-CD2 3.83Å; W49-L65 HydrophobicContact CZ3-CG 3.65Å; W49-V83 HydrophobicContact CH2-CB 4.29Å; W49-V83 HydrophobicContact CH2-CG1 4.29Å; W49-V83 HydrophobicContact CH2-CG2 4.29Å; W49-V83 HydrophobicContact CZ3-CB 4.19Å; W49-V83 HydrophobicContact CZ3-CG2 4.18Å; W49-L85 HydrophobicContact CH2-CD1 3.94Å; W49-L85 HydrophobicContact CH2-CD2 4.5Å; W49-L85 HydrophobicContact CH2-CG 4.49Å; W49-L85 HydrophobicContact CZ2-CD1 4.48Å; W49-L85 HydrophobicContact CZ3-CD1 4.5Å; W49-F131 VanDerWaalsContact O-CE1 3.27Å; W49-F131 WeakPolarHBondContact O-CE1 3.44Å; W49-S380 PolarHBondContact N-OG 3.28Å; W49-S380 PolarHBondContact NE1-O 3.45Å; W49-W381 VanDerWaalsContact CD1-C 3.46Å; W49-W381 VanDerWaalsContact CD1-O 3.31Å; W49-N382 VanDerWaalsContact CD1-CA 3.5Å; W49-N382 HydrophobicContact CD2-CB 4.28Å; W49-N382 HydrophobicContact CG-CB 4.24Å; W49-C390 HydrophobicContact CZ2-CB 3.85Å; W49-C390 PolarHBondContact NE1-SG 2.79Å; W49-C390 VanDerWaalsContact NE1-SG 3.42Å; W49-I400 HydrophobicContact CH2-CD1 3.95Å; W49-I400 HydrophobicContact CH2-CG2 4.18Å; W49-I400 HydrophobicContact CZ2-CD1 4.28Å; W49-I400 HydrophobicContact CZ2-CG1 4.38Å; W49-I400 HydrophobicContact CZ2-CG2 3.84Å
50L98.4Very high93.6Very high1 Ų153.4 Ų53.41%0.00527%0.27CS..  trans-73.8144.3161.9-80.6171.3000109.2S52 R64 I66 I80 F131 P136 Y153L50-S52 VanDerWaalsContact C-N 3.3Å; L50-S52 PolarHBondContact O-N 3.07Å; L50-R64 HydrophobicContact CB-CB 4.1Å; L50-R64 HydrophobicContact CD1-CB 3.82Å; L50-R64 HydrophobicContact CG-CB 4.47Å; L50-R64 PolarHBondContact N-O 2.84Å; L50-I66 HydrophobicContact CD1-CG1 4.38Å; L50-I66 HydrophobicContact CD2-CD1 3.84Å; L50-I66 HydrophobicContact CD2-CG1 4.18Å; L50-I66 HydrophobicContact CG-CD1 4.11Å; L50-I66 HydrophobicContact CG-CG1 3.9Å; L50-I80 HydrophobicContact CD1-CG2 4.22Å; L50-F131 HydrophobicContact CD2-CB 3.99Å; L50-F131 HydrophobicContact CD2-CD1 4.08Å; L50-F131 HydrophobicContact CD2-CG 4.08Å; L50-P136 HydrophobicContact CD2-CB 3.98Å; L50-Y153 HydrophobicContact CD1-CE1 4.32Å
51P97.5Very high93.4Very high37 Ų3753.4 Ų53.424%0.2427%0.272CS..SBendtrans-75.5-17.1-171.630-35.8000113.6F131 P136 I383 N384P51-F131 HydrophobicContact CB-CZ 4.42Å; P51-F131 HydrophobicContact CG-CE2 3.88Å; P51-F131 HydrophobicContact CG-CZ 3.98Å; P51-P136 HydrophobicContact CG-CB 3.87Å; P51-P136 HydrophobicContact CG-CG 3.48Å; P51-P136 VanDerWaalsContact CG-CG 3.48Å; P51-I383 HydrophobicContact CB-CG2 4.27Å; P51-N384 PolarHBondContact O-ND2 2.95Å
52S93.9Very high93.4Very high62 Ų6248.4 Ų48.443%0.43425%0.249SC..  trans-83.7135-177.160.50000112.2L50L50-S52 VanDerWaalsContact C-N 3.3Å; L50-S52 PolarHBondContact O-N 3.07Å
53V94.5Very high93.3Very high42 Ų4245.4 Ų45.426%0.25524%0.238SC..  trans-126.8133176.2173.90000110.2R55 V62 H63 N384V53-R55 HydrophobicContact CG1-CG 4.39Å; V53-V62 WeakPolarHBondContact CA-O 3.29Å; V53-H63 VanDerWaalsContact CG2-CE1 3.44Å; V53-H63 WeakPolarHBondContact CG2-CE1 3.46Å; V53-H63 VanDerWaalsContact CG2-ND1 3.32Å; V53-H63 WeakPolarHBondContact CG2-ND1 3.15Å; V53-N384 HydrophobicContact CG2-CB 3.67Å; V53-N384 VanDerWaalsContact CG2-CG 3.44Å; V53-N384 VanDerWaalsContact CG2-ND2 3.25Å; V53-N384 WeakPolarHBondContact CG2-ND2 3.49Å
54E93.8Very high93.3Very high115 Ų11548.4 Ų48.454%0.53725%0.247SC..EExtended strand (participates in β ladder)trans-95.9112.7171.5176.6-174.7178.300109.6T56 V62E54-T56 HydrophobicContact CG-CG2 4.15Å; E54-T56 PolarHBondContact O-N 3.26Å; E54-V62 HydrophobicContact CB-CB 4.14Å; E54-V62 PolarHBondContact N-O 3.16Å; E54-V62 PolarHBondContact O-N 3.17Å
55R89.1Confident93.3Very high217 Ų21748.4 Ų48.482%0.81925%0.247SC*.EExtended strand (participates in β ladder)trans-87105.1175-65-174.3179.5-172.3-2.1108.9V53 G57V53-R55 HydrophobicContact CG1-CG 4.39Å; R55-G57 VanDerWaalsContact C-N 3.33Å; R55-G57 PolarHBondContact O-N 3.15Å
56T78.5Confident93.3Very high42 Ų4247.4 Ų47.426%0.25824%0.242SC..  trans-84.6-3.6-168.467.70000114.5E54 R58 Y60 V62E54-T56 HydrophobicContact CG-CG2 4.15Å; E54-T56 PolarHBondContact O-N 3.26Å; T56-R58 PolarHBondContact O-N 3.46Å; T56-R58 WeakPolarHBondContact OG1-CB 3.33Å; T56-R58 WeakPolarHBondContact OG1-CG 3.28Å; T56-R58 PolarHBondContact OG1-N 3.47Å; T56-Y60 HydrophobicContact CG2-CE2 4.14Å; T56-Y60 PolarHBondContact OG1-O 3.46Å; T56-V62 HydrophobicContact CG2-CG2 3.66Å
57G80.1Confident93.3Very high75 Ų7547.4 Ų47.477%0.77324%0.242SC*.SBendtrans67.56.9-170.900000114R55R55-G57 VanDerWaalsContact C-N 3.33Å; R55-G57 PolarHBondContact O-N 3.15Å
58R85Confident93.3Very high150 Ų15047.4 Ų47.457%0.56624%0.242SC*.SBendtrans-92.5-177.9170.5-55.8176.9178.6-167-3.9109.4T56 Y60 N87T56-R58 PolarHBondContact O-N 3.46Å; T56-R58 WeakPolarHBondContact OG1-CB 3.33Å; T56-R58 WeakPolarHBondContact OG1-CG 3.28Å; T56-R58 PolarHBondContact OG1-N 3.47Å; R58-Y60 HydrophobicContact CB-CD1 3.91Å; R58-Y60 HydrophobicContact CB-CE1 3.8Å; R58-Y60 VanDerWaalsContact CD-CE1 3.4Å; R58-Y60 WeakPolarHBondContact CD-OH 3.21Å; R58-Y60 HydrophobicContact CG-CE1 4.24Å; R58-Y60 PolarHBondContact NH1-OH 3.29Å; R58-Y60 PolarHBondContact O-N 2.85Å; R58-N87 PolarHBondContact O-ND2 2.82Å
59D86.3Confident93.3Very high69 Ų6946 Ų4637%0.36924%0.236SC..SBendtrans-67.78.8171.161.9-29.3000114.2N87 A90D59-N87 WeakPolarHBondContact CA-OD1 3.43Å; D59-N87 PolarHBondContact O-N 3.27Å; D59-N87 VanDerWaalsContact O-N 3.16Å; D59-N87 PolarHBondContact O-OD1 3.09Å; D59-A90 HydrophobicContact CB-CB 4.24Å; D59-A90 WeakPolarHBondContact O-CB 3.5Å
60Y89.2Confident93.2Very high29 Ų2949.4 Ų49.411%0.11425%0.252CS..EExtended strand (participates in β ladder)trans-143.6155.8176.167.1-91000112.6T56 R58 V62 H84 L85 N87T56-Y60 HydrophobicContact CG2-CE2 4.14Å; T56-Y60 PolarHBondContact OG1-O 3.46Å; R58-Y60 HydrophobicContact CB-CD1 3.91Å; R58-Y60 HydrophobicContact CB-CE1 3.8Å; R58-Y60 VanDerWaalsContact CD-CE1 3.4Å; R58-Y60 WeakPolarHBondContact CD-OH 3.21Å; R58-Y60 HydrophobicContact CG-CE1 4.24Å; R58-Y60 PolarHBondContact NH1-OH 3.29Å; R58-Y60 PolarHBondContact O-N 2.85Å; Y60-V62 HydrophobicContact CD2-CG2 4Å; Y60-V62 HydrophobicContact CE2-CG2 3.7Å; Y60-H84 HydrophobicContact CD2-CB 3.78Å; Y60-H84 AromaticContact CD2-CG 3.79Å; Y60-H84 HydrophobicContact CE2-CB 4.32Å; Y60-H84 AromaticContact CE2-CE1 3.95Å; Y60-H84 AromaticContact CE2-CG 3.82Å; Y60-H84 AromaticContact CE2-ND1 3.67Å; Y60-H84 HydrophobicContact CG-CB 4.25Å; Y60-L85 CarbonylContact C-O 3.54Å; Y60-L85 WeakPolarHBondContact CA-O 3.47Å; Y60-L85 VanDerWaalsContact CB-O 3.26Å; Y60-L85 WeakPolarHBondContact CB-O 3.44Å; Y60-N87 PolarHBondContact N-ND2 2.68Å
61S92.1Very high93.1Very high15 Ų1549.6 Ų49.611%0.10525%0.253CS..EExtended strand (participates in β ladder)trans-108.8148.8169.360.50000110.2H63 H84 L85S61-H63 PolarHBondContact OG-CD2 3.41Å; S61-H63 VanDerWaalsContact OG-CD2 3.27Å; S61-H63 PolarHBondContact OG-NE2 2.96Å; S61-H84 WeakPolarHBondContact O-CA 3.47Å; S61-L85 PolarHBondContact N-O 2.81Å; S61-L85 PolarHBondContact O-N 2.75Å; S61-L85 PolarHBondContact OG-O 3.2Å
62V94.5Very high92.7Very high15 Ų1552.9 Ų52.99%0.09128%0.277CS..EExtended strand (participates in β ladder)trans-104.1114.1-178.9-178.50000108.9V53 E54 T56 Y60 T82V53-V62 WeakPolarHBondContact CA-O 3.29Å; E54-V62 HydrophobicContact CB-CB 4.14Å; E54-V62 PolarHBondContact N-O 3.16Å; E54-V62 PolarHBondContact O-N 3.17Å; T56-V62 HydrophobicContact CG2-CG2 3.66Å; Y60-V62 HydrophobicContact CD2-CG2 4Å; Y60-V62 HydrophobicContact CE2-CG2 3.7Å; V62-T82 HydrophobicContact CG1-CG2 3.38Å
63H96.6Very high92.4Very high4 Ų457.9 Ų57.92%0.01930%0.299CS..EExtended strand (participates in β ladder)trans-107.9167.9177-64.9-116000109.8W49 V53 S61 V83 N382W49-H63 HydrophobicContact CE3-CB 3.9Å; W49-H63 HydrophobicContact CH2-CB 4.38Å; W49-H63 HydrophobicContact CZ3-CB 3.43Å; W49-H63 VanDerWaalsContact CZ3-CB 3.43Å; V53-H63 VanDerWaalsContact CG2-CE1 3.44Å; V53-H63 WeakPolarHBondContact CG2-CE1 3.46Å; V53-H63 VanDerWaalsContact CG2-ND1 3.32Å; V53-H63 WeakPolarHBondContact CG2-ND1 3.15Å; S61-H63 PolarHBondContact OG-CD2 3.41Å; S61-H63 VanDerWaalsContact OG-CD2 3.27Å; S61-H63 PolarHBondContact OG-NE2 2.96Å; H63-V83 PolarHBondContact N-O 3.11Å; H63-V83 PolarHBondContact O-N 2.97Å; H63-N382 PolarHBondContact CE1-ND2 2.86Å; H63-N382 VanDerWaalsContact CE1-ND2 3.33Å; H63-N382 PolarHBondContact ND1-ND2 2.85Å
64R97.7Very high92.3Very high80 Ų8061.2 Ų61.230%0.30231%0.312SS..EExtended strand (participates in β ladder)trans-134.2143175.3-63.8179.3-174.31546111.8L50 I80 V81L50-R64 HydrophobicContact CB-CB 4.1Å; L50-R64 HydrophobicContact CD1-CB 3.82Å; L50-R64 HydrophobicContact CG-CB 4.47Å; L50-R64 PolarHBondContact N-O 2.84Å; R64-I80 HydrophobicContact CB-CG2 4.39Å; R64-V81 CarbonylContact C-O 3.56Å; R64-V81 WeakPolarHBondContact CA-O 3.44Å
65L98.2Very high92.4Very high0 Ų058.8 Ų58.80%030%0.3CS..EExtended strand (participates in β ladder)trans-114.6142.1175.4-74.3171000110.3Q48 W49 L67 I80 V81 V83 C390 L398 I400Q48-L65 CarbonylContact O-C 3.58Å; Q48-L65 WeakPolarHBondContact O-CA 3.23Å; W49-L65 HydrophobicContact CB-CD2 4.45Å; W49-L65 HydrophobicContact CD2-CD2 3.32Å; W49-L65 HydrophobicContact CD2-CG 4.1Å; W49-L65 HydrophobicContact CE3-CD2 3.45Å; W49-L65 VanDerWaalsContact CE3-CD2 3.45Å; W49-L65 HydrophobicContact CE3-CG 3.71Å; W49-L65 HydrophobicContact CG-CD2 3.77Å; W49-L65 HydrophobicContact CH2-CD1 4.13Å; W49-L65 HydrophobicContact CH2-CD2 4.11Å; W49-L65 HydrophobicContact CH2-CG 4.03Å; W49-L65 HydrophobicContact CZ2-CD1 4.42Å; W49-L65 HydrophobicContact CZ2-CD2 4Å; W49-L65 HydrophobicContact CZ2-CG 4.38Å; W49-L65 HydrophobicContact CZ3-CD1 4.22Å; W49-L65 HydrophobicContact CZ3-CD2 3.83Å; W49-L65 HydrophobicContact CZ3-CG 3.65Å; L65-L67 HydrophobicContact CB-CG 4.38Å; L65-I80 WeakPolarHBondContact O-CA 3.38Å; L65-V81 HydrophobicContact CB-CB 4.27Å; L65-V81 PolarHBondContact N-O 3.31Å; L65-V81 PolarHBondContact O-N 2.81Å; L65-V83 HydrophobicContact CD1-CG2 3.72Å; L65-V83 HydrophobicContact CG-CG2 4.09Å; L65-C390 HydrophobicContact CD1-CB 4.24Å; L65-C390 HydrophobicContact CD2-CB 4Å; L65-C390 WeakPolarHBondContact CD2-SG 3.08Å; L65-L398 HydrophobicContact CD1-CD1 4.38Å; L65-L398 HydrophobicContact CD1-CD2 4.18Å; L65-I400 HydrophobicContact CD1-CD1 3.98Å
66I98.8Very high92.7Very high0 Ų048.9 Ų48.90%026%0.263CS..EExtended strand (participates in β ladder)trans-93.2122.9163.1-53.2171.8000106.7A47 Q48 L50 L78 I80 A129 F131 I139A47-I66 WeakPolarHBondContact CA-O 3.47Å; Q48-I66 HydrophobicContact CB-CB 4.42Å; Q48-I66 PolarHBondContact N-O 3.1Å; Q48-I66 VanDerWaalsContact N-O 3.09Å; Q48-I66 PolarHBondContact O-N 3.45Å; L50-I66 HydrophobicContact CD1-CG1 4.38Å; L50-I66 HydrophobicContact CD2-CD1 3.84Å; L50-I66 HydrophobicContact CD2-CG1 4.18Å; L50-I66 HydrophobicContact CG-CD1 4.11Å; L50-I66 HydrophobicContact CG-CG1 3.9Å; I66-L78 HydrophobicContact CG2-CD1 3.77Å; I66-I80 HydrophobicContact CG1-CD1 4.06Å; I66-A129 HydrophobicContact CG2-CB 3.6Å; I66-F131 HydrophobicContact CD1-CB 3.85Å; I66-F131 HydrophobicContact CD1-CD1 4.1Å; I66-F131 HydrophobicContact CD1-CG 4.48Å; I66-I139 HydrophobicContact CD1-CD1 3.75Å; I66-I139 HydrophobicContact CD1-CG1 3.99Å; I66-I139 HydrophobicContact CG1-CD1 3.99Å; I66-I139 HydrophobicContact CG2-CD1 4.3Å; I66-I139 HydrophobicContact CG2-CG2 4.31Å
67L98.8Very high93.7Very high0 Ų047.7 Ų47.70%026%0.255CS..EExtended strand (participates in β ladder)trans-128.2166.1173.6-58.6178.5000109.6L40 T46 A47 L65 L79 V81 V392 L398L40-L67 HydrophobicContact CD1-CD1 4.35Å; L40-L67 HydrophobicContact CD2-CD1 4.12Å; T46-L67 WeakPolarHBondContact O-CD2 3.5Å; A47-L67 HydrophobicContact CB-CD2 3.99Å; L65-L67 HydrophobicContact CB-CG 4.38Å; L67-L79 HydrophobicContact CB-CB 4.13Å; L67-L79 HydrophobicContact CB-CD1 4.46Å; L67-L79 PolarHBondContact N-O 3.11Å; L67-L79 PolarHBondContact O-N 3.43Å; L67-V81 HydrophobicContact CD1-CB 4.4Å; L67-V81 HydrophobicContact CD1-CG2 3.74Å; L67-V81 HydrophobicContact CG-CG2 4.28Å; L67-V392 HydrophobicContact CD2-CG1 4.04Å; L67-L398 HydrophobicContact CD1-CD2 4.05Å
68G98.6Very high94.5Very high1 Ų144.1 Ų44.11%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-118.2172.7171.600000111.2S44S44-G68 WeakPolarHBondContact CA-O 3.41Å; S44-G68 VanDerWaalsContact CB-O 3.28Å; S44-G68 WeakPolarHBondContact CB-O 3.44Å; S44-G68 PolarHBondContact OG-N 3Å; S44-G68 PolarHBondContact OG-O 2.99Å; S44-G68 VanDerWaalsContact OG-O 3.13Å
69T98.3Very high95.2Very high4 Ų437.5 Ų37.53%0.02519%0.194CC..  trans-112.4150.516164.40000109.8W42 P43 N76 H77 L79 E125 V126W42-T69 HydrophobicContact CB-CG2 4.31Å; P43-T69 CarbonylContact O-C 3.48Å; P43-T69 WeakPolarHBondContact O-CA 3.46Å; T69-N76 VanDerWaalsContact C-OD1 3.24Å; T69-N76 PolarHBondContact O-OD1 2.83Å; T69-N76 WeakPolarHBondContact OG1-CA 3.42Å; T69-N76 WeakPolarHBondContact OG1-CB 3.17Å; T69-N76 PolarHBondContact OG1-OD1 3.43Å; T69-H77 HydrophobicContact CG2-CB 4.21Å; T69-H77 PolarHBondContact N-O 2.98Å; T69-H77 VanDerWaalsContact N-O 3.12Å; T69-H77 PolarHBondContact OG1-N 3.05Å; T69-L79 HydrophobicContact CG2-CD1 3.86Å; T69-L79 HydrophobicContact CG2-CG 4.24Å; T69-E125 WeakPolarHBondContact O-CA 3.46Å; T69-E125 WeakPolarHBondContact O-CB 3.21Å; T69-V126 PolarHBondContact O-N 3.07Å
70H97.8Very high95.7Very high79 Ų7934.3 Ų34.337%0.36618%0.177SC..  trans-127.294.5166.4179-163.1000108.2P43 L45 E125P43-H70 PolarHBondContact O-N 3.45Å; L45-H70 HydrophobicContact CD1-CB 4.05Å; L45-H70 HydrophobicContact CG-CB 3.92Å; H70-E125 HydrophobicContact CB-CB 4.15Å
71T95.7Very high96.1Very high5 Ų533 Ų333%0.03117%0.172CC..  trans-108.6151.4-177.574.30000110.8W42 E74 N76W42-T71 HydrophobicContact CB-CG2 4Å; W42-T71 HydrophobicContact CD2-CG2 3.56Å; W42-T71 HydrophobicContact CE3-CG2 4.19Å; W42-T71 HydrophobicContact CG-CG2 3.42Å; W42-T71 VanDerWaalsContact CG-CG2 3.42Å; T71-E74 HydrophobicContact CG2-CB 4.27Å; T71-E74 PolarHBondContact OG1-N 2.88Å; T71-E74 PolarHBondContact OG1-O 3.02Å; T71-N76 WeakPolarHBondContact CG2-OD1 3.21Å; T71-N76 PolarHBondContact N-OD1 3.21Å; T71-N76 PolarHBondContact OG1-ND2 2.76Å; T71-N76 VanDerWaalsContact OG1-ND2 3.11Å; T71-N76 PolarHBondContact OG1-OD1 3.18Å
72S88.8Confident96.3Very high106 Ų10633.4 Ų33.474%0.74117%0.174SC*.SBendtrans-70.3-56.6177.9-49.70000113.4
73D86.9Confident96.3Very high167 Ų16732.7 Ų32.789%0.89317%0.169SC*.SBendtrans-135.49.7-175.3-68.8-50.9000112.7
74E93Very high96.1Very high113 Ų11334.2 Ų34.253%0.52818%0.177SC..SBendtrans-92.5168.1179.1-65.2-160.7175.800112.3W42 T71 N76W42-E74 VanDerWaalsContact CZ2-CD 3.4Å; W42-E74 HydrophobicContact CZ2-CG 4.02Å; W42-E74 WeakPolarHBondContact CZ2-OE2 3.44Å; W42-E74 PolarHBondContact NE1-OE2 3.12Å; W42-E74 VanDerWaalsContact NE1-OE2 3.17Å; T71-E74 HydrophobicContact CG2-CB 4.27Å; T71-E74 PolarHBondContact OG1-N 2.88Å; T71-E74 PolarHBondContact OG1-O 3.02Å; E74-N76 PolarHBondContact O-N 2.91Å
75Q95.3Very high95.7Very high63 Ų6330.4 Ų30.429%0.29416%0.162SC..PPolyproline II helixtrans-64.7121171178.457.768.500108.7H77 H122Q75-H77 PolarHBondContact O-CE1 3.34Å; Q75-H77 PolarHBondContact O-ND1 2.96Å; Q75-H122 PolarHBondContact NE2-O 3.48Å
76N97.3Very high95Very high9 Ų931.2 Ų31.25%0.04817%0.167CC..EExtended strand (participates in β ladder)trans-81.3157.3173.7-83.1-72.6000111.7T69 T71 E74 H122 G124 E125T69-N76 VanDerWaalsContact C-OD1 3.24Å; T69-N76 PolarHBondContact O-OD1 2.83Å; T69-N76 WeakPolarHBondContact OG1-CA 3.42Å; T69-N76 WeakPolarHBondContact OG1-CB 3.17Å; T69-N76 PolarHBondContact OG1-OD1 3.43Å; T71-N76 WeakPolarHBondContact CG2-OD1 3.21Å; T71-N76 PolarHBondContact N-OD1 3.21Å; T71-N76 PolarHBondContact OG1-ND2 2.76Å; T71-N76 VanDerWaalsContact OG1-ND2 3.11Å; T71-N76 PolarHBondContact OG1-OD1 3.18Å; E74-N76 PolarHBondContact O-N 2.91Å; N76-H122 PolarHBondContact O-N 3.11Å; N76-G124 VanDerWaalsContact CB-C 3.44Å; N76-G124 WeakPolarHBondContact CB-O 3.45Å; N76-E125 PolarHBondContact ND2-N 2.78Å
77H97.9Very high94.2Very high17 Ų1733.5 Ų33.58%0.07918%0.18CC..EExtended strand (participates in β ladder)trans-142.3143-174.5-54.985.5000113.1T69 Q75 L79 K119 I120T69-H77 HydrophobicContact CG2-CB 4.21Å; T69-H77 PolarHBondContact N-O 2.98Å; T69-H77 VanDerWaalsContact N-O 3.12Å; T69-H77 PolarHBondContact OG1-N 3.05Å; Q75-H77 PolarHBondContact O-CE1 3.34Å; Q75-H77 PolarHBondContact O-ND1 2.96Å; H77-L79 HydrophobicContact CB-CD2 3.77Å; H77-L79 HydrophobicContact CB-CG 4.44Å; H77-K119 HydrophobicContact CB-CG 3.81Å; H77-K119 WeakPolarHBondContact CD2-CG 3.45Å; H77-K119 WeakPolarHBondContact CE1-CE 3.43Å; H77-K119 VanDerWaalsContact CG-CE 3.43Å; H77-K119 WeakPolarHBondContact ND1-CE 3.44Å; H77-K119 WeakPolarHBondContact NE2-CE 3.46Å; H77-I120 CarbonylContact C-O 3.47Å; H77-I120 WeakPolarHBondContact CA-O 3.22Å; H77-I120 WeakPolarHBondContact CB-O 3.41Å
78L98.5Very high93.1Very high0 Ų042 Ų420%023%0.225CC..EExtended strand (participates in β ladder)trans-80.9127.4157.1173.764.7000108.2I66 I120 A129 I139 T141 F151I66-L78 HydrophobicContact CG2-CD1 3.77Å; L78-I120 HydrophobicContact CB-CB 4.35Å; L78-I120 HydrophobicContact CD2-CD1 4.35Å; L78-I120 PolarHBondContact N-O 2.88Å; L78-I120 PolarHBondContact O-N 2.86Å; L78-A129 HydrophobicContact CD1-CB 3.94Å; L78-I139 HydrophobicContact CD1-CG2 4.26Å; L78-I139 HydrophobicContact CD2-CB 4.37Å; L78-I139 HydrophobicContact CD2-CD1 4.49Å; L78-I139 HydrophobicContact CD2-CG2 4.09Å; L78-T141 HydrophobicContact CD1-CG2 4Å; L78-T141 HydrophobicContact CD2-CG2 4.09Å; L78-F151 HydrophobicContact CD2-CB 4.04Å; L78-F151 HydrophobicContact CD2-CD2 3.76Å; L78-F151 HydrophobicContact CD2-CE2 4.45Å; L78-F151 HydrophobicContact CD2-CG 3.96Å
79L98.3Very high91.9Very high12 Ų1248.9 Ų48.96%0.06326%0.257CS..EExtended strand (participates in β ladder)trans-114.6135.4-174.2-57.2-179.9000110.9L67 T69 H77 V81 I116 M118 K119L67-L79 HydrophobicContact CB-CB 4.13Å; L67-L79 HydrophobicContact CB-CD1 4.46Å; L67-L79 PolarHBondContact N-O 3.11Å; L67-L79 PolarHBondContact O-N 3.43Å; T69-L79 HydrophobicContact CG2-CD1 3.86Å; T69-L79 HydrophobicContact CG2-CG 4.24Å; H77-L79 HydrophobicContact CB-CD2 3.77Å; H77-L79 HydrophobicContact CB-CG 4.44Å; L79-V81 HydrophobicContact CB-CG2 4.33Å; L79-I116 HydrophobicContact CD2-CG2 4.15Å; L79-M118 WeakPolarHBondContact CA-O 3.45Å; L79-K119 HydrophobicContact CD2-CB 4.02Å; L79-K119 HydrophobicContact CD2-CD 4.15Å; L79-K119 HydrophobicContact CD2-CG 3.73Å
80I98.1Very high90.6Very high2 Ų249.8 Ų49.81%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-110.4117.3162.6-51.7-59.9000107.8L50 R64 L65 I66 S117 M118 I139 Y153L50-I80 HydrophobicContact CD1-CG2 4.22Å; R64-I80 HydrophobicContact CB-CG2 4.39Å; L65-I80 WeakPolarHBondContact O-CA 3.38Å; I66-I80 HydrophobicContact CG1-CD1 4.06Å; I80-S117 PolarHBondContact O-N 3.42Å; I80-S117 PolarHBondContact O-OG 3.22Å; I80-M118 HydrophobicContact CB-CB 4.01Å; I80-M118 HydrophobicContact CB-CG 4.2Å; I80-M118 HydrophobicContact CG1-CB 4.19Å; I80-M118 HydrophobicContact CG1-CE 3.81Å; I80-M118 HydrophobicContact CG1-CG 4.45Å; I80-M118 PolarHBondContact N-O 3.01Å; I80-M118 PolarHBondContact O-N 2.91Å; I80-I139 HydrophobicContact CD1-CD1 3.51Å; I80-Y153 HydrophobicContact CD1-CD1 4.46Å; I80-Y153 HydrophobicContact CD1-CG 4.44Å; I80-Y153 HydrophobicContact CG1-CD2 4.25Å; I80-Y153 HydrophobicContact CG1-CG 4.2Å
81V97.2Very high89Confident1 Ų154.9 Ų54.91%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-109.8127.8-175.4177.30000109.2R64 L65 L67 L79 V83 L114 E115 I116R64-V81 CarbonylContact C-O 3.56Å; R64-V81 WeakPolarHBondContact CA-O 3.44Å; L65-V81 HydrophobicContact CB-CB 4.27Å; L65-V81 PolarHBondContact N-O 3.31Å; L65-V81 PolarHBondContact O-N 2.81Å; L67-V81 HydrophobicContact CD1-CB 4.4Å; L67-V81 HydrophobicContact CD1-CG2 3.74Å; L67-V81 HydrophobicContact CG-CG2 4.28Å; L79-V81 HydrophobicContact CB-CG2 4.33Å; V81-V83 HydrophobicContact CG1-CG2 4.27Å; V81-L114 HydrophobicContact CG1-CD1 3.8Å; V81-L114 HydrophobicContact CG1-CD2 3.4Å; V81-L114 HydrophobicContact CG1-CG 3.35Å; V81-E115 CarbonylContact C-O 3.57Å; V81-E115 WeakPolarHBondContact CA-O 3.32Å; V81-I116 HydrophobicContact CG2-CG1 4.27Å
82T96.1Very high87.5Confident23 Ų2359.6 Ų59.614%0.14131%0.309CS..EExtended strand (participates in β ladder)trans-88131.2172.6-63.70000109.2V62 L114 E115 S117V62-T82 HydrophobicContact CG1-CG2 3.38Å; T82-L114 WeakPolarHBondContact O-CA 3.25Å; T82-E115 PolarHBondContact N-O 2.85Å; T82-E115 PolarHBondContact O-N 3.14Å; T82-S117 WeakPolarHBondContact OG1-CB 3.19Å; T82-S117 PolarHBondContact OG1-OG 2.84Å
83V94.5Very high86.1Confident0 Ų058.2 Ų58.20%029%0.293CS..EExtended strand (participates in β ladder)trans-124.1128-179.6-173.90000108.7W49 H63 L65 V81 L85 L114 I400W49-V83 HydrophobicContact CH2-CB 4.29Å; W49-V83 HydrophobicContact CH2-CG1 4.29Å; W49-V83 HydrophobicContact CH2-CG2 4.29Å; W49-V83 HydrophobicContact CZ3-CB 4.19Å; W49-V83 HydrophobicContact CZ3-CG2 4.18Å; H63-V83 PolarHBondContact N-O 3.11Å; H63-V83 PolarHBondContact O-N 2.97Å; L65-V83 HydrophobicContact CD1-CG2 3.72Å; L65-V83 HydrophobicContact CG-CG2 4.09Å; V81-V83 HydrophobicContact CG1-CG2 4.27Å; V83-L85 HydrophobicContact CG1-CD2 3.58Å; V83-L85 HydrophobicContact CG1-CG 4.08Å; V83-L114 HydrophobicContact CG2-CD1 4.27Å; V83-I400 HydrophobicContact CB-CD1 4.36Å; V83-I400 HydrophobicContact CG1-CD1 3.53Å; V83-I400 HydrophobicContact CG2-CD1 3.93Å
84H92.4Very high84.8Confident37 Ų3753.2 Ų53.217%0.17128%0.275CS..EExtended strand (participates in β ladder)trans-93.1113.3169.5-60.1177.8000108.5Y60 S61 S111 G112 K113Y60-H84 HydrophobicContact CD2-CB 3.78Å; Y60-H84 AromaticContact CD2-CG 3.79Å; Y60-H84 HydrophobicContact CE2-CB 4.32Å; Y60-H84 AromaticContact CE2-CE1 3.95Å; Y60-H84 AromaticContact CE2-CG 3.82Å; Y60-H84 AromaticContact CE2-ND1 3.67Å; Y60-H84 HydrophobicContact CG-CB 4.25Å; S61-H84 WeakPolarHBondContact O-CA 3.47Å; H84-S111 WeakPolarHBondContact CB-O 3.44Å; H84-S111 PolarHBondContact ND1-O 2.97Å; H84-G112 WeakPolarHBondContact O-CA 3.17Å; H84-K113 PolarHBondContact N-O 3.21Å
85L89.8Confident82.9Confident0 Ų052.7 Ų52.70%028%0.284CS..EExtended strand (participates in β ladder)trans-100.4134.8174.8-62.9-174.8000109.6M34 M36 W49 Y60 S61 V83 I400M34-L85 HydrophobicContact CE-CD2 4.33Å; M34-L85 HydrophobicContact SD-CD2 3.95Å; M36-L85 HydrophobicContact SD-CD2 3.85Å; W49-L85 HydrophobicContact CH2-CD1 3.94Å; W49-L85 HydrophobicContact CH2-CD2 4.5Å; W49-L85 HydrophobicContact CH2-CG 4.49Å; W49-L85 HydrophobicContact CZ2-CD1 4.48Å; W49-L85 HydrophobicContact CZ3-CD1 4.5Å; Y60-L85 CarbonylContact C-O 3.54Å; Y60-L85 WeakPolarHBondContact CA-O 3.47Å; Y60-L85 VanDerWaalsContact CB-O 3.26Å; Y60-L85 WeakPolarHBondContact CB-O 3.44Å; S61-L85 PolarHBondContact N-O 2.81Å; S61-L85 PolarHBondContact O-N 2.75Å; S61-L85 PolarHBondContact OG-O 3.2Å; V83-L85 HydrophobicContact CG1-CD2 3.58Å; V83-L85 HydrophobicContact CG1-CG 4.08Å; L85-I400 HydrophobicContact CD2-CG2 3.93Å
86P83.8Confident80.7Confident16 Ų1651.1 Ų51.110%0.10428%0.282CS..EExtended strand (participates in β ladder)trans-56.3152.9171.827.6-34.4000110M34 A90 F109M34-P86 HydrophobicContact SD-CG 3.91Å; P86-A90 HydrophobicContact CB-CB 3.7Å; P86-F109 HydrophobicContact CB-CD1 3.79Å; P86-F109 HydrophobicContact CB-CE1 4.02Å; P86-F109 HydrophobicContact CB-CG 4.18Å; P86-F109 HydrophobicContact CG-CD1 3.89Å; P86-F109 HydrophobicContact CG-CD2 4.01Å; P86-F109 HydrophobicContact CG-CE1 3.96Å; P86-F109 HydrophobicContact CG-CE2 4.07Å; P86-F109 HydrophobicContact CG-CG 3.91Å; P86-F109 HydrophobicContact CG-CZ 4.05Å
87N80.9Confident78.5Confident49 Ų4953.2 Ų53.226%0.26229%0.289SS..  trans-116179170.262.427.7000110R58 D59 Y60 Q89 A90R58-N87 PolarHBondContact O-ND2 2.82Å; D59-N87 WeakPolarHBondContact CA-OD1 3.43Å; D59-N87 PolarHBondContact O-N 3.27Å; D59-N87 VanDerWaalsContact O-N 3.16Å; D59-N87 PolarHBondContact O-OD1 3.09Å; Y60-N87 PolarHBondContact N-ND2 2.68Å; N87-Q89 PolarHBondContact O-N 2.95Å; N87-Q89 WeakPolarHBondContact OD1-CB 3.35Å; N87-Q89 PolarHBondContact OD1-N 2.83Å; N87-A90 WeakPolarHBondContact O-CB 3.5Å; N87-A90 PolarHBondContact O-N 3.24Å; N87-A90 PolarHBondContact OD1-N 3.29Å
88D75.4Confident76.1Confident177 Ų17755.7 Ų55.795%0.94730%0.303SS*.THydrogen-bonded Turntrans-57.5-14.2-179.2-46.2-19.3000114.7
89Q73Confident73.8Confident147 Ų14759.9 Ų59.969%0.68733%0.332SS*.THydrogen-bonded Turntrans-91.4-9.1176.6-55.4-177.4-2.300113N87 E91N87-Q89 PolarHBondContact O-N 2.95Å; N87-Q89 WeakPolarHBondContact OD1-CB 3.35Å; N87-Q89 PolarHBondContact OD1-N 2.83Å; Q89-E91 PolarHBondContact O-N 3.41Å
90A72.2Confident71.2Confident23 Ų2367.7 Ų67.719%0.1937%0.369CS..PPolyproline II helixtrans-66.5120.1178.500000110D59 P86 N87 F92D59-A90 HydrophobicContact CB-CB 4.24Å; D59-A90 WeakPolarHBondContact O-CB 3.5Å; P86-A90 HydrophobicContact CB-CB 3.7Å; N87-A90 WeakPolarHBondContact O-CB 3.5Å; N87-A90 PolarHBondContact O-N 3.24Å; N87-A90 PolarHBondContact OD1-N 3.29Å; A90-F92 PolarHBondContact O-N 3Å
91E64.3Low68.8Low185 Ų18576.2 Ų76.286%0.86440%0.4SS*.PPolyproline II helixtrans-69.8123.1169.2-75.7-173.2171.400109.2Q89Q89-E91 PolarHBondContact O-N 3.41Å
92F63.1Low66Low104 Ų10479.5 Ų79.546%0.45644%0.435SS..PPolyproline II helixtrans-78.5116.8177.1176-101000110.6A90 A94 F107 F109A90-F92 PolarHBondContact O-N 3Å; F92-A94 HydrophobicContact CD1-CB 4.2Å; F92-A94 HydrophobicContact CE1-CB 3.52Å; F92-A94 HydrophobicContact CZ-CB 4.28Å; F92-F107 HydrophobicContact CD2-CD1 4.44Å; F92-F107 HydrophobicContact CE1-CE1 4.4Å; F92-F107 HydrophobicContact CE2-CB 3.83Å; F92-F107 AromaticContact CE2-CD1 3.11Å; F92-F107 HydrophobicContact CE2-CD1 3.11Å; F92-F107 HydrophobicContact CE2-CD2 4.45Å; F92-F107 AromaticContact CE2-CE1 3.57Å; F92-F107 HydrophobicContact CE2-CE1 3.57Å; F92-F107 AromaticContact CE2-CG 3.56Å; F92-F107 HydrophobicContact CE2-CG 3.56Å; F92-F107 HydrophobicContact CE2-CZ 4.37Å; F92-F107 AromaticContact CZ-CD1 3.16Å; F92-F107 HydrophobicContact CZ-CD1 3.16Å; F92-F107 AromaticContact CZ-CE1 3.24Å; F92-F107 HydrophobicContact CZ-CE1 3.24Å; F92-F107 HydrophobicContact CZ-CG 4.09Å; F92-F107 HydrophobicContact CZ-CZ 4.23Å; F92-F109 HydrophobicContact CD2-CE1 4.11Å; F92-F109 HydrophobicContact CD2-CZ 4.17Å
93D60.6Low63.1Low78 Ų7884.7 Ų84.742%0.41746%0.461SS..  trans-96.691.2174.1-171.9-1000111.2S95 A96D93-S95 PolarHBondContact O-N 3.17Å; D93-S95 VanDerWaalsContact O-N 3.15Å; D93-S95 WeakPolarHBondContact OD1-CA 3.29Å; D93-S95 VanDerWaalsContact OD1-CB 3.28Å; D93-S95 WeakPolarHBondContact OD1-CB 3.43Å; D93-S95 PolarHBondContact OD1-N 3.39Å; D93-S95 PolarHBondContact OD1-OG 2.8Å; D93-S95 PolarHBondContact OD2-OG 3.06Å; D93-A96 HydrophobicContact CB-CB 4.35Å; D93-A96 PolarHBondContact O-N 2.84Å
94A59.3Low60.6Low62 Ų6289.3 Ų89.351%0.51248%0.482SS..G310 helixtrans-57.2-26.5174.800000113.2F92 A96 Y97F92-A94 HydrophobicContact CD1-CB 4.2Å; F92-A94 HydrophobicContact CE1-CB 3.52Å; F92-A94 HydrophobicContact CZ-CB 4.28Å; A94-A96 VanDerWaalsContact C-N 3.28Å; A94-A96 PolarHBondContact O-N 2.92Å; A94-Y97 VanDerWaalsContact O-CB 3.29Å; A94-Y97 WeakPolarHBondContact O-CB 3.45Å; A94-Y97 PolarHBondContact O-N 3Å
95S53.3Low57.9Low101 Ų10188 Ų8871%0.70648%0.478SS*.G310 helixtrans-76.7-17.2-176.8780000113.2D93D93-S95 PolarHBondContact O-N 3.17Å; D93-S95 VanDerWaalsContact O-N 3.15Å; D93-S95 WeakPolarHBondContact OD1-CA 3.29Å; D93-S95 VanDerWaalsContact OD1-CB 3.28Å; D93-S95 WeakPolarHBondContact OD1-CB 3.43Å; D93-S95 PolarHBondContact OD1-N 3.39Å; D93-S95 PolarHBondContact OD1-OG 2.8Å; D93-S95 PolarHBondContact OD2-OG 3.06Å
96A48.9Very low55.8Low30 Ų3088.4 Ų88.425%0.24848%0.482CS..G310 helixtrans-80.4-6.5173.200000112.7D93 A94 D98 Y108D93-A96 HydrophobicContact CB-CB 4.35Å; D93-A96 PolarHBondContact O-N 2.84Å; A94-A96 VanDerWaalsContact C-N 3.28Å; A94-A96 PolarHBondContact O-N 2.92Å; A96-D98 PolarHBondContact O-N 3.45Å; A96-Y108 HydrophobicContact CB-CD1 4.04Å; A96-Y108 HydrophobicContact CB-CG 4.27Å
97Y50Low54.2Low54 Ų5488.7 Ų88.721%0.21248%0.482CS..  trans-70.981.8168.8-158.9-89.8000109.8K25 T28 P29 A94 S99 F107K25-Y97 PolarHBondContact O-OH 2.81Å; K25-Y97 VanDerWaalsContact O-OH 3.07Å; T28-Y97 PolarHBondContact OG1-OH 2.91Å; P29-Y97 HydrophobicContact CG-CD1 4.31Å; P29-Y97 HydrophobicContact CG-CE1 3.76Å; P29-Y97 HydrophobicContact CG-CE2 4.18Å; A94-Y97 VanDerWaalsContact O-CB 3.29Å; A94-Y97 WeakPolarHBondContact O-CB 3.45Å; A94-Y97 PolarHBondContact O-N 3Å; Y97-S99 PolarHBondContact O-N 2.93Å; Y97-F107 AromaticContact CD2-CD1 3.74Å; Y97-F107 HydrophobicContact CD2-CD1 3.74Å; Y97-F107 HydrophobicContact CD2-CE1 4.12Å; Y97-F107 HydrophobicContact CD2-CG 4.43Å; Y97-F107 HydrophobicContact CE2-CD1 4.27Å; Y97-F107 HydrophobicContact CE2-CE1 4.47Å
98D49.1Very low52.7Low68 Ų6893.3 Ų93.336%0.36450%0.497SS..  trans-91.4100.1177.8-171.3-11.7000109.5A96 E100 R101A96-D98 PolarHBondContact O-N 3.45Å; D98-E100 PolarHBondContact O-N 2.89Å; D98-E100 WeakPolarHBondContact OD1-CA 3.41Å; D98-E100 WeakPolarHBondContact OD1-CB 3.35Å; D98-E100 PolarHBondContact OD1-N 3.41Å; D98-R101 HydrophobicContact CB-CB 3.98Å; D98-R101 HydrophobicContact CB-CG 4.36Å; D98-R101 PolarHBondContact O-N 3.03Å; D98-R101 PolarHBondContact OD1-N 3.33Å; D98-R101 VanDerWaalsContact OD1-N 3.08Å; D98-R101 VanDerWaalsContact OD2-CD 3.27Å; D98-R101 WeakPolarHBondContact OD2-CD 3.26Å; D98-R101 WeakPolarHBondContact OD2-CG 3.48Å; D98-R101 IonicContact OD2-NE 3.9Å
99S49.5Very low51.9Low88 Ų8886 Ų8662%0.61546%0.456SS*.SBendtrans-61.4-22.1175.456.50000113.2Y97Y97-S99 PolarHBondContact O-N 2.93Å
100E44.7Very low51.1Low177 Ų17783.6 Ų83.683%0.82745%0.453SS*.SBendtrans-96.6-20.8-176-64.3-162.9164.200113.9D98 G102D98-E100 PolarHBondContact O-N 2.89Å; D98-E100 WeakPolarHBondContact OD1-CA 3.41Å; D98-E100 WeakPolarHBondContact OD1-CB 3.35Å; D98-E100 PolarHBondContact OD1-N 3.41Å; E100-G102 PolarHBondContact O-N 2.84Å
101R46.5Very low50.4Low180 Ų18083.3 Ų83.368%0.67945%0.45SS*.  trans-67.2110.5168.2-93.5173.6172.6-178.1-1.5108.5D98 D103D98-R101 HydrophobicContact CB-CB 3.98Å; D98-R101 HydrophobicContact CB-CG 4.36Å; D98-R101 PolarHBondContact O-N 3.03Å; D98-R101 PolarHBondContact OD1-N 3.33Å; D98-R101 VanDerWaalsContact OD1-N 3.08Å; D98-R101 VanDerWaalsContact OD2-CD 3.27Å; D98-R101 WeakPolarHBondContact OD2-CD 3.26Å; D98-R101 WeakPolarHBondContact OD2-CG 3.48Å; D98-R101 IonicContact OD2-NE 3.9Å; R101-D103 PolarHBondContact O-N 3.33Å
102G39.5Very low50.6Low70 Ų7075.8 Ų75.872%0.72242%0.422SS*.SBendtrans-58.1-9.517600000114.1E100E100-G102 PolarHBondContact O-N 2.84Å
103D35Very low51.5Low132 Ų13275.8 Ų75.871%0.70642%0.422SS*.SBendtrans-97.3100.2178.8-62.9-29.5000110.1R101R101-D103 PolarHBondContact O-N 3.33Å
104F41.5Very low52.9Low98 Ų9873.5 Ų73.543%0.4341%0.409SS..  trans58.497.5163.8-55.3-78.9000116.7S37 C39 G106S37-F104 VanDerWaalsContact C-CD1 3.45Å; S37-F104 WeakPolarHBondContact O-CD1 3.5Å; S37-F104 WeakPolarHBondContact O-CG 3.25Å; S37-F104 WeakPolarHBondContact OG-CD1 3.18Å; C39-F104 HydrophobicContact CB-CE1 4.24Å; C39-F104 HydrophobicContact CB-CZ 3.82Å; F104-G106 PolarHBondContact O-N 2.74Å
105G36.2Very low54.5Low8 Ų875.4 Ų75.48%0.08241%0.408CS..  trans-71.949.5174.800000115.2K25 L35K25-G105 VanDerWaalsContact CE-CA 3.45Å; L35-G105 WeakPolarHBondContact CD2-O 3.1Å
106G44.9Very low56.4Low9 Ų973.4 Ų73.49%0.09339%0.389CS..SBendtrans-98.5158.2167.900000110.8L35 F104 Y108L35-G106 WeakPolarHBondContact O-CA 3.18Å; F104-G106 PolarHBondContact O-N 2.74Å; G106-Y108 PolarHBondContact O-N 2.84Å
107F51.5Low58.6Low22 Ų2273.8 Ų73.810%0.09639%0.389CS..  trans-56112.9161-68-68.6000108.1P29 Y32 L35 F92 Y97 F109P29-F107 HydrophobicContact CB-CE1 4.42Å; P29-F107 HydrophobicContact CB-CZ 4.23Å; Y32-F107 WeakPolarHBondContact O-CE2 3.35Å; L35-F107 PolarHBondContact O-N 3.33Å; F92-F107 HydrophobicContact CD2-CD1 4.44Å; F92-F107 HydrophobicContact CE1-CE1 4.4Å; F92-F107 HydrophobicContact CE2-CB 3.83Å; F92-F107 AromaticContact CE2-CD1 3.11Å; F92-F107 HydrophobicContact CE2-CD1 3.11Å; F92-F107 HydrophobicContact CE2-CD2 4.45Å; F92-F107 AromaticContact CE2-CE1 3.57Å; F92-F107 HydrophobicContact CE2-CE1 3.57Å; F92-F107 AromaticContact CE2-CG 3.56Å; F92-F107 HydrophobicContact CE2-CG 3.56Å; F92-F107 HydrophobicContact CE2-CZ 4.37Å; F92-F107 AromaticContact CZ-CD1 3.16Å; F92-F107 HydrophobicContact CZ-CD1 3.16Å; F92-F107 AromaticContact CZ-CE1 3.24Å; F92-F107 HydrophobicContact CZ-CE1 3.24Å; F92-F107 HydrophobicContact CZ-CG 4.09Å; F92-F107 HydrophobicContact CZ-CZ 4.23Å; Y97-F107 AromaticContact CD2-CD1 3.74Å; Y97-F107 HydrophobicContact CD2-CD1 3.74Å; Y97-F107 HydrophobicContact CD2-CE1 4.12Å; Y97-F107 HydrophobicContact CD2-CG 4.43Å; Y97-F107 HydrophobicContact CE2-CD1 4.27Å; Y97-F107 HydrophobicContact CE2-CE1 4.47Å; F107-F109 HydrophobicContact CB-CD2 4.25Å; F107-F109 HydrophobicContact CB-CE2 3.64Å; F107-F109 HydrophobicContact CB-CZ 4.07Å; F107-F109 WeakPolarHBondContact O-CD2 3.44Å; F107-F109 PolarHBondContact O-N 2.6Å
108Y48.7Very low60.8Low147 Ų14772.1 Ų72.158%0.57638%0.384SS*.  trans-72.598.6-177.1-174.2-94.4000108.3A96 G106 P110A96-Y108 HydrophobicContact CB-CD1 4.04Å; A96-Y108 HydrophobicContact CB-CG 4.27Å; G106-Y108 PolarHBondContact O-N 2.84Å; Y108-P110 HydrophobicContact CD1-CG 4.06Å; Y108-P110 HydrophobicContact CE1-CB 4.03Å; Y108-P110 HydrophobicContact CE1-CG 3.93Å; Y108-P110 WeakPolarHBondContact O-CD 3.4Å
109F59.2Low63Low23 Ų2370.9 Ų70.910%0.10138%0.375CS..  trans-86.4110.6165-63.2-78.9000107.2M34 P86 F92 F107 S111 G112M34-F109 HydrophobicContact CG-CE2 4.16Å; P86-F109 HydrophobicContact CB-CD1 3.79Å; P86-F109 HydrophobicContact CB-CE1 4.02Å; P86-F109 HydrophobicContact CB-CG 4.18Å; P86-F109 HydrophobicContact CG-CD1 3.89Å; P86-F109 HydrophobicContact CG-CD2 4.01Å; P86-F109 HydrophobicContact CG-CE1 3.96Å; P86-F109 HydrophobicContact CG-CE2 4.07Å; P86-F109 HydrophobicContact CG-CG 3.91Å; P86-F109 HydrophobicContact CG-CZ 4.05Å; F92-F109 HydrophobicContact CD2-CE1 4.11Å; F92-F109 HydrophobicContact CD2-CZ 4.17Å; F107-F109 HydrophobicContact CB-CD2 4.25Å; F107-F109 HydrophobicContact CB-CE2 3.64Å; F107-F109 HydrophobicContact CB-CZ 4.07Å; F107-F109 WeakPolarHBondContact O-CD2 3.44Å; F107-F109 PolarHBondContact O-N 2.6Å; F109-S111 PolarHBondContact O-N 3.07Å; F109-G112 WeakPolarHBondContact O-CA 3.03Å; F109-G112 PolarHBondContact O-N 2.87Å
110P54.7Low65.3Low96 Ų9666.8 Ų66.862%0.62335%0.346SS*.THydrogen-bonded Turntrans-57.7-25.9-179.9-21.631.8000113Y108Y108-P110 HydrophobicContact CD1-CG 4.06Å; Y108-P110 HydrophobicContact CE1-CB 4.03Å; Y108-P110 HydrophobicContact CE1-CG 3.93Å; Y108-P110 WeakPolarHBondContact O-CD 3.4Å
111S57.8Low67.8Low18 Ų1858.4 Ų58.413%0.12631%0.307CS..THydrogen-bonded Turntrans-78.4-22.717553.20000113.4H84 F109 K113H84-S111 WeakPolarHBondContact CB-O 3.44Å; H84-S111 PolarHBondContact ND1-O 2.97Å; F109-S111 PolarHBondContact O-N 3.07Å; S111-K113 PolarHBondContact O-N 3.04Å
112G68.9Low70.3Confident26 Ų2649.9 Ų49.927%0.26828%0.275SS..  trans-64.994.8178.600000111.4H84 F109H84-G112 WeakPolarHBondContact O-CA 3.17Å; F109-G112 WeakPolarHBondContact O-CA 3.03Å; F109-G112 PolarHBondContact O-N 2.87Å
113K82.3Confident73Confident105 Ų10550 Ų5046%0.45726%0.257SS..  trans-124.2139.6180-168-171.3179.7-156.90109.7H84 S111 E115H84-K113 PolarHBondContact N-O 3.21Å; S111-K113 PolarHBondContact O-N 3.04Å; K113-E115 IonicContact NZ-OE2 3.84Å; K113-E115 PolarHBondContact NZ-OE2 2.83Å
114L89.6Confident75.9Confident29 Ų2945 Ų4515%0.15224%0.237CC..EExtended strand (participates in β ladder)trans-114.1131.5170-171145.9000109.6H38 V81 T82 V83 L398H38-L114 HydrophobicContact CB-CD1 4.36Å; V81-L114 HydrophobicContact CG1-CD1 3.8Å; V81-L114 HydrophobicContact CG1-CD2 3.4Å; V81-L114 HydrophobicContact CG1-CG 3.35Å; T82-L114 WeakPolarHBondContact O-CA 3.25Å; V83-L114 HydrophobicContact CG2-CD1 4.27Å; L114-L398 HydrophobicContact CD1-CD2 3.4Å; L114-L398 VanDerWaalsContact CD1-CD2 3.4Å
115E92.8Very high78.6Confident103 Ų10342.4 Ų42.448%0.48123%0.226SC..EExtended strand (participates in β ladder)trans-141.2130.7179.2-176.5168.8170.100111.4V81 T82 K113 S117V81-E115 CarbonylContact C-O 3.57Å; V81-E115 WeakPolarHBondContact CA-O 3.32Å; T82-E115 PolarHBondContact N-O 2.85Å; T82-E115 PolarHBondContact O-N 3.14Å; K113-E115 IonicContact NZ-OE2 3.84Å; K113-E115 PolarHBondContact NZ-OE2 2.83Å; E115-S117 PolarHBondContact O-N 3.11Å
116I93.5Very high81.6Confident59 Ų5942 Ų4230%0.30322%0.222SC..EExtended strand (participates in β ladder)trans-70.898172.2-57.9173.8000108.3L79 V81 M118 K119L79-I116 HydrophobicContact CD2-CG2 4.15Å; V81-I116 HydrophobicContact CG2-CG1 4.27Å; I116-M118 WeakPolarHBondContact CG2-O 3.44Å; I116-K119 HydrophobicContact CG2-CB 4.3Å
117S94.2Very high84.1Confident37 Ų3741.7 Ų41.726%0.25922%0.218SC..EExtended strand (participates in β ladder)trans-75.8-33.3179.260.30000112.6I80 T82 E115I80-S117 PolarHBondContact O-N 3.42Å; I80-S117 PolarHBondContact O-OG 3.22Å; T82-S117 WeakPolarHBondContact OG1-CB 3.19Å; T82-S117 PolarHBondContact OG1-OG 2.84Å; E115-S117 PolarHBondContact O-N 3.11Å
118M96.2Very high86.4Confident19 Ų1941.4 Ų41.49%0.09422%0.216CC..EExtended strand (participates in β ladder)trans-139.3146172.1-49-155.7-30.700114.3L79 I80 I116 I120 Y153 P158L79-M118 WeakPolarHBondContact CA-O 3.45Å; I80-M118 HydrophobicContact CB-CB 4.01Å; I80-M118 HydrophobicContact CB-CG 4.2Å; I80-M118 HydrophobicContact CG1-CB 4.19Å; I80-M118 HydrophobicContact CG1-CE 3.81Å; I80-M118 HydrophobicContact CG1-CG 4.45Å; I80-M118 PolarHBondContact N-O 3.01Å; I80-M118 PolarHBondContact O-N 2.91Å; I116-M118 WeakPolarHBondContact CG2-O 3.44Å; M118-I120 HydrophobicContact CE-CD1 3.59Å; M118-I120 HydrophobicContact CE-CG1 4Å; M118-Y153 VanDerWaalsContact CE-CB 3.41Å; M118-Y153 HydrophobicContact CE-CD2 3.23Å; M118-Y153 HydrophobicContact CE-CE2 4.34Å; M118-Y153 HydrophobicContact CE-CG 3.67Å; M118-Y153 WeakPolarHBondContact CE-O 3.41Å; M118-Y153 HydrophobicContact SD-CD2 3.58Å; M118-Y153 VanDerWaalsContact SD-CD2 3.58Å; M118-Y153 HydrophobicContact SD-CE2 4.24Å; M118-P158 CarbonylContact C-O 3.57Å; M118-P158 WeakPolarHBondContact CA-O 3.42Å
119K96.6Very high88.8Confident42 Ų4234.4 Ų34.418%0.18319%0.189CC..EExtended strand (participates in β ladder)trans-136.199.7176.7-172.2160.9-176.8173.50108.8E41 H77 L79 I116 P158 T160E41-K119 IonicContact OE2-NZ 3.45Å; E41-K119 PolarHBondContact OE2-NZ 2.98Å; H77-K119 HydrophobicContact CB-CG 3.81Å; H77-K119 WeakPolarHBondContact CD2-CG 3.45Å; H77-K119 WeakPolarHBondContact CE1-CE 3.43Å; H77-K119 VanDerWaalsContact CG-CE 3.43Å; H77-K119 WeakPolarHBondContact ND1-CE 3.44Å; H77-K119 WeakPolarHBondContact NE2-CE 3.46Å; L79-K119 HydrophobicContact CD2-CB 4.02Å; L79-K119 HydrophobicContact CD2-CD 4.15Å; L79-K119 HydrophobicContact CD2-CG 3.73Å; I116-K119 HydrophobicContact CG2-CB 4.3Å; K119-P158 PolarHBondContact N-O 3.2Å; K119-T160 PolarHBondContact O-N 2.81Å; K119-T160 PolarHBondContact O-OG1 2.84Å
120I97.5Very high90.7Very high2 Ų234.3 Ų34.31%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-100.5129.8-179.3-56.6173.9000108.6H77 L78 M118 H122 F151 H156H77-I120 CarbonylContact C-O 3.47Å; H77-I120 WeakPolarHBondContact CA-O 3.22Å; H77-I120 WeakPolarHBondContact CB-O 3.41Å; L78-I120 HydrophobicContact CB-CB 4.35Å; L78-I120 HydrophobicContact CD2-CD1 4.35Å; L78-I120 PolarHBondContact N-O 2.88Å; L78-I120 PolarHBondContact O-N 2.86Å; M118-I120 HydrophobicContact CE-CD1 3.59Å; M118-I120 HydrophobicContact CE-CG1 4Å; I120-H122 PolarHBondContact O-N 3.49Å; I120-F151 HydrophobicContact CG2-CD1 3.84Å; I120-F151 HydrophobicContact CG2-CE1 3.86Å; I120-H156 HydrophobicContact CD1-CB 3.82Å; I120-H156 HydrophobicContact CG1-CB 3.85Å
121N97.3Very high92.8Very high2 Ų231.2 Ų31.21%0.01117%0.165CC..EExtended strand (participates in β ladder)trans-61.3134.4177.6-66.2-13.1000111P161 G165 C166N121-P161 PolarHBondContact ND2-O 2.84Å; N121-G165 VanDerWaalsContact CB-O 3.22Å; N121-G165 WeakPolarHBondContact CB-O 3.27Å; N121-G165 PolarHBondContact ND2-O 3.44Å; N121-C166 PolarHBondContact O-SG 3.29Å
122H97.8Very high94.7Very high1 Ų130.7 Ų30.71%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-123.2146.8179.7-166.8-94.6000111.4Q75 N76 I120 G124 E125 V126 T141 F151Q75-H122 PolarHBondContact NE2-O 3.48Å; N76-H122 PolarHBondContact O-N 3.11Å; I120-H122 PolarHBondContact O-N 3.49Å; H122-G124 PolarHBondContact ND1-O 3.38Å; H122-G124 PolarHBondContact O-N 2.82Å; H122-E125 PolarHBondContact CE1-O 2.87Å; H122-E125 PolarHBondContact ND1-O 2.86Å; H122-V126 HydrophobicContact CB-CG2 4.11Å; H122-T141 PolarHBondContact CD2-OG1 3.39Å; H122-T141 WeakPolarHBondContact NE2-CB 3.25Å; H122-T141 PolarHBondContact NE2-OG1 3.21Å; H122-F151 AromaticContact CD2-CE2 3.79Å; H122-F151 AromaticContact CD2-CZ 3.97Å
123E96.2Very high96.1Very high71 Ų7132 Ų3233%0.33216%0.164SC..SBendtrans-81.2102.6174.5-89.5160.3-146.300110.2L149 C166 R171E123-L149 HydrophobicContact CB-CD1 4.42Å; E123-C166 HydrophobicContact CB-CB 4.27Å; E123-C166 HydrophobicContact CG-CB 3.54Å; E123-R171 IonicContact OE1-CZ 2.81Å; E123-R171 IonicContact OE1-NH2 2.84Å; E123-R171 PolarHBondContact OE1-NH2 3.05Å; E123-R171 IonicContact OE2-CZ 3.85Å; E123-R171 VanDerWaalsContact OE2-CZ 3.25Å; E123-R171 IonicContact OE2-NH1 3.86Å; E123-R171 PolarHBondContact OE2-NH1 2.89Å; E123-R171 IonicContact OE2-NH2 3.11Å; E123-R171 PolarHBondContact OE2-NH2 3.09Å
124G96.9Very high96.9Very high28 Ų2830.1 Ų30.129%0.28916%0.157SC..SBendtrans70.4-177.5-172.100000112.3N76 H122N76-G124 VanDerWaalsContact CB-C 3.44Å; N76-G124 WeakPolarHBondContact CB-O 3.45Å; H122-G124 PolarHBondContact ND1-O 3.38Å; H122-G124 PolarHBondContact O-N 2.82Å
125E98Very high97.3Very high44 Ų4431.6 Ų31.621%0.20617%0.165CC..  trans-60.9157.7176.963.1-84.2-168.300112.3L45 T69 H70 N76 H122 N127 P144L45-E125 HydrophobicContact CD1-CG 4.19Å; T69-E125 WeakPolarHBondContact O-CA 3.46Å; T69-E125 WeakPolarHBondContact O-CB 3.21Å; H70-E125 HydrophobicContact CB-CB 4.15Å; N76-E125 PolarHBondContact ND2-N 2.78Å; H122-E125 PolarHBondContact CE1-O 2.87Å; H122-E125 PolarHBondContact ND1-O 2.86Å; E125-N127 WeakPolarHBondContact CG-OD1 3.49Å; E125-N127 PolarHBondContact O-N 3.47Å; E125-P144 HydrophobicContact CG-CG 3.85Å; E125-P144 WeakPolarHBondContact OE1-CG 3.41Å; E125-P144 VanDerWaalsContact OE2-CG 3.3Å; E125-P144 WeakPolarHBondContact OE2-CG 3.32Å
126V98.7Very high97.5Very high0 Ų028.3 Ų28.30%015%0.153CC..  trans-98.288.6-179.7-174.30000108.7T46 T69 H122 R128 A129 T141T46-V126 HydrophobicContact CG2-CG1 4.03Å; T69-V126 PolarHBondContact O-N 3.07Å; H122-V126 HydrophobicContact CB-CG2 4.11Å; V126-R128 VanDerWaalsContact C-N 3.26Å; V126-R128 PolarHBondContact O-N 2.87Å; V126-A129 HydrophobicContact CG1-CB 3.87Å; V126-T141 HydrophobicContact CG1-CG2 4.04Å
127N98.6Very high97.7Very high1 Ų128.2 Ų28.21%0.00515%0.152CC..SBendtrans-58.3-39.2-177-69.94.2000112.3E125 K142 E178 G179 Y180E125-N127 WeakPolarHBondContact CG-OD1 3.49Å; E125-N127 PolarHBondContact O-N 3.47Å; N127-K142 HydrophobicContact CB-CB 3.83Å; N127-K142 PolarHBondContact N-O 2.92Å; N127-E178 PolarHBondContact ND2-OE2 2.91Å; N127-G179 PolarHBondContact ND2-O 2.91Å; N127-Y180 HydrophobicContact CB-CD1 3.8Å; N127-Y180 HydrophobicContact CB-CE1 3.81Å
128R98.9Very high97.9Very high16 Ų1626.8 Ų26.86%0.0614%0.142CC..EExtended strand (participates in β ladder)trans-156.2139.6173.5-167.5158.6-66.8158.22.1109.9V126 R130 T141 K142 Y180 L182 D231V126-R128 VanDerWaalsContact C-N 3.26Å; V126-R128 PolarHBondContact O-N 2.87Å; R128-R130 HydrophobicContact CG-CG 4.2Å; R128-T141 CarbonylContact O-C 3.55Å; R128-T141 VanDerWaalsContact O-CA 3.23Å; R128-T141 WeakPolarHBondContact O-CA 3.4Å; R128-K142 HydrophobicContact CB-CB 4.35Å; R128-K142 HydrophobicContact CB-CG 4.12Å; R128-K142 PolarHBondContact O-N 3.14Å; R128-Y180 VanDerWaalsContact CB-O 3.31Å; R128-Y180 WeakPolarHBondContact CB-O 3.18Å; R128-Y180 WeakPolarHBondContact CD-O 3.33Å; R128-Y180 PolarHBondContact NE-O 2.85Å; R128-Y180 PolarHBondContact NH1-O 3.18Å; R128-L182 HydrophobicContact CB-CB 4.46Å; R128-L182 HydrophobicContact CG-CB 4.22Å; R128-D231 IonicContact NH1-OD1 2.76Å; R128-D231 PolarHBondContact NH1-OD1 2.97Å; R128-D231 VanDerWaalsContact NH1-OD1 3.11Å
129A98.9Very high98.1Very high0 Ų025.9 Ų25.90%014%0.137CC..EExtended strand (participates in β ladder)trans-126.8131.2173.100000110.6T46 I66 L78 V126 I139 A140 T141T46-A129 HydrophobicContact CG2-CB 3.8Å; T46-A129 PolarHBondContact OG1-N 2.91Å; I66-A129 HydrophobicContact CG2-CB 3.6Å; L78-A129 HydrophobicContact CD1-CB 3.94Å; V126-A129 HydrophobicContact CG1-CB 3.87Å; A129-I139 HydrophobicContact CB-CG2 4.15Å; A129-A140 CarbonylContact C-O 3.58Å; A129-A140 VanDerWaalsContact CA-O 3.3Å; A129-A140 WeakPolarHBondContact CA-O 3.49Å; A129-T141 HydrophobicContact CB-CG2 3.93Å
130R98.9Very high98.2Very high22 Ų2223.9 Ų23.98%0.08313%0.129CC..EExtended strand (participates in β ladder)trans-138.2131.9-179.3-61.7-66177.3-109.49.9112T46 Q48 R128 I139 A140 L182 W184 D378T46-R130 PolarHBondContact OG1-NH1 2.78Å; Q48-R130 VanDerWaalsContact OE1-CA 3.25Å; R128-R130 HydrophobicContact CG-CG 4.2Å; R130-I139 WeakPolarHBondContact O-CA 3.15Å; R130-A140 PolarHBondContact N-O 3.49Å; R130-A140 PolarHBondContact O-N 2.94Å; R130-L182 HydrophobicContact CB-CD2 4.05Å; R130-L182 HydrophobicContact CG-CB 4.43Å; R130-L182 HydrophobicContact CG-CD2 4.05Å; R130-L182 HydrophobicContact CG-CG 4.41Å; R130-W184 PolarHBondContact O-NE1 3.42Å; R130-D378 IonicContact CZ-OD2 3.66Å; R130-D378 IonicContact NH1-OD2 3.51Å; R130-D378 PolarHBondContact NH1-OD2 2.9Å; R130-D378 VanDerWaalsContact NH1-OD2 3.13Å; R130-D378 IonicContact NH2-OD1 3.79Å; R130-D378 PolarHBondContact NH2-OD1 2.92Å; R130-D378 IonicContact NH2-OD2 3.25Å; R130-D378 PolarHBondContact NH2-OD2 3.04Å
131F98.8Very high98.2Very high31 Ų3123.8 Ų23.814%0.13613%0.128CC..EExtended strand (participates in β ladder)trans-77.1150173.474.1-94000112.1Q48 W49 L50 P51 I66 P133 P136 I138 I139 W184Q48-F131 HydrophobicContact CG-CD1 4.17Å; Q48-F131 HydrophobicContact CG-CE1 4.07Å; W49-F131 VanDerWaalsContact O-CE1 3.27Å; W49-F131 WeakPolarHBondContact O-CE1 3.44Å; L50-F131 HydrophobicContact CD2-CB 3.99Å; L50-F131 HydrophobicContact CD2-CD1 4.08Å; L50-F131 HydrophobicContact CD2-CG 4.08Å; P51-F131 HydrophobicContact CB-CZ 4.42Å; P51-F131 HydrophobicContact CG-CE2 3.88Å; P51-F131 HydrophobicContact CG-CZ 3.98Å; I66-F131 HydrophobicContact CD1-CB 3.85Å; I66-F131 HydrophobicContact CD1-CD1 4.1Å; I66-F131 HydrophobicContact CD1-CG 4.48Å; F131-P133 WeakPolarHBondContact O-CD 3.48Å; F131-P136 HydrophobicContact CB-CB 4.44Å; F131-P136 HydrophobicContact CD2-CB 3.76Å; F131-P136 HydrophobicContact CD2-CG 4.03Å; F131-P136 HydrophobicContact CE2-CB 4.35Å; F131-P136 HydrophobicContact CE2-CG 4.24Å; F131-P136 HydrophobicContact CG-CB 4.25Å; F131-I138 CarbonylContact C-O 3.58Å; F131-I138 VanDerWaalsContact CA-O 3.31Å; F131-I138 WeakPolarHBondContact CA-O 3.31Å; F131-I139 HydrophobicContact CB-CG1 4.32Å; F131-W184 VanDerWaalsContact C-CD1 3.44Å
132M98.7Very high98.3Very high7 Ų723.7 Ų23.73%0.03413%0.128CC..EExtended strand (participates in β ladder)trans-77.1120.5173.2-175.4171.168.500110.4Q134 N135 I138 W184M132-Q134 VanDerWaalsContact C-N 3.26Å; M132-Q134 VanDerWaalsContact CG-OE1 3.29Å; M132-Q134 PolarHBondContact O-N 2.83Å; M132-Q134 VanDerWaalsContact O-N 3.11Å; M132-N135 HydrophobicContact CE-CB 3.61Å; M132-N135 CarbonylContact O-C 3.52Å; M132-N135 PolarHBondContact O-N 3.22Å; M132-N135 VanDerWaalsContact O-O 3.09Å; M132-I138 HydrophobicContact CB-CB 4.08Å; M132-I138 HydrophobicContact CB-CG2 4.38Å; M132-I138 HydrophobicContact CE-CB 4.08Å; M132-I138 HydrophobicContact CE-CG1 3.9Å; M132-I138 HydrophobicContact CE-CG2 4.48Å; M132-I138 PolarHBondContact N-O 2.9Å; M132-W184 HydrophobicContact CB-CD2 3.85Å; M132-W184 HydrophobicContact CB-CE3 4.11Å; M132-W184 HydrophobicContact CB-CG 4.33Å; M132-W184 HydrophobicContact CB-CH2 4.3Å; M132-W184 HydrophobicContact CB-CZ2 4.04Å; M132-W184 HydrophobicContact CB-CZ3 4.34Å; M132-W184 HydrophobicContact CG-CD2 3.98Å; M132-W184 HydrophobicContact CG-CE3 3.78Å; M132-W184 HydrophobicContact CG-CH2 4.47Å; M132-W184 HydrophobicContact CG-CZ3 4.06Å; M132-W184 HydrophobicContact SD-CE3 4.04Å; M132-W184 HydrophobicContact SD-CH2 4.15Å; M132-W184 HydrophobicContact SD-CZ3 3.74Å
133P98.1Very high98.4Very high52 Ų5223.7 Ų23.734%0.33813%0.128SC..THydrogen-bonded Turntrans-55-36-173.9-29.436000115.1F131 W184 V186F131-P133 WeakPolarHBondContact O-CD 3.48Å; P133-W184 HydrophobicContact CG-CB 4.17Å; P133-V186 HydrophobicContact CB-CG1 4.36Å; P133-V186 HydrophobicContact CG-CG1 3.98Å
134Q98Very high98.4Very high66 Ų6622.4 Ų22.431%0.30813%0.126SC..THydrogen-bonded Turntrans-79.5-19.6-178.5-5582.92.700113.2M132 N185 V186 N189M132-Q134 VanDerWaalsContact C-N 3.26Å; M132-Q134 VanDerWaalsContact CG-OE1 3.29Å; M132-Q134 PolarHBondContact O-N 2.83Å; M132-Q134 VanDerWaalsContact O-N 3.11Å; Q134-N185 PolarHBondContact NE2-O 2.76Å; Q134-V186 PolarHBondContact NE2-O 3.42Å; Q134-N189 HydrophobicContact CG-CB 4.27Å
135N97.9Very high98.4Very high60 Ų6024.2 Ų24.232%0.32113%0.134SC..EExtended strand (participates in β ladder)trans-151.292.2173.1-177.67.9000109.8M132 D137 I138M132-N135 HydrophobicContact CE-CB 3.61Å; M132-N135 CarbonylContact O-C 3.52Å; M132-N135 PolarHBondContact O-N 3.22Å; M132-N135 VanDerWaalsContact O-O 3.09Å; N135-D137 PolarHBondContact O-N 3.07Å; N135-D137 WeakPolarHBondContact OD1-CB 3.38Å; N135-D137 PolarHBondContact OD1-N 2.81Å; N135-I138 HydrophobicContact CB-CG1 4.38Å; N135-I138 PolarHBondContact O-N 3Å
136P98.2Very high98.3Very high35 Ų3522.1 Ų22.123%0.22712%0.124CC..EExtended strand (participates in β ladder)trans-63.2-8.8-175.4-24.434.9000115.5L50 P51 F131 I138L50-P136 HydrophobicContact CD2-CB 3.98Å; P51-P136 HydrophobicContact CG-CB 3.87Å; P51-P136 HydrophobicContact CG-CG 3.48Å; P51-P136 VanDerWaalsContact CG-CG 3.48Å; F131-P136 HydrophobicContact CB-CB 4.44Å; F131-P136 HydrophobicContact CD2-CB 3.76Å; F131-P136 HydrophobicContact CD2-CG 4.03Å; F131-P136 HydrophobicContact CE2-CB 4.35Å; F131-P136 HydrophobicContact CE2-CG 4.24Å; F131-P136 HydrophobicContact CG-CB 4.25Å; P136-I138 PolarHBondContact O-N 2.93Å
137D97.9Very high98.3Very high56 Ų5623.1 Ų23.130%0.29913%0.129SC..EExtended strand (participates in β ladder)trans-70.7-21.5172.2-68.3-20.2000113.2N135 N152 Y153 P154N135-D137 PolarHBondContact O-N 3.07Å; N135-D137 WeakPolarHBondContact OD1-CB 3.38Å; N135-D137 PolarHBondContact OD1-N 2.81Å; D137-N152 WeakPolarHBondContact O-CA 3.49Å; D137-Y153 VanDerWaalsContact CA-CE1 3.5Å; D137-Y153 HydrophobicContact CB-CD1 4.49Å; D137-Y153 HydrophobicContact CB-CE1 4.19Å; D137-Y153 VanDerWaalsContact O-CD1 3.31Å; D137-Y153 WeakPolarHBondContact O-CD1 3.49Å; D137-Y153 PolarHBondContact O-N 2.82Å; D137-Y153 WeakPolarHBondContact OD1-CE1 3.44Å; D137-Y153 PolarHBondContact OD1-OH 2.86Å; D137-P154 HydrophobicContact CB-CG 3.85Å
138I98.5Very high98.3Very high7 Ų723.1 Ų23.14%0.03613%0.129CC..EExtended strand (participates in β ladder)trans-91.2122.1176.5-54.5-56.5000109.3F131 M132 N135 P136 I150 F151 N152 W184 L211F131-I138 CarbonylContact C-O 3.58Å; F131-I138 VanDerWaalsContact CA-O 3.31Å; F131-I138 WeakPolarHBondContact CA-O 3.31Å; M132-I138 HydrophobicContact CB-CB 4.08Å; M132-I138 HydrophobicContact CB-CG2 4.38Å; M132-I138 HydrophobicContact CE-CB 4.08Å; M132-I138 HydrophobicContact CE-CG1 3.9Å; M132-I138 HydrophobicContact CE-CG2 4.48Å; M132-I138 PolarHBondContact N-O 2.9Å; N135-I138 HydrophobicContact CB-CG1 4.38Å; N135-I138 PolarHBondContact O-N 3Å; P136-I138 PolarHBondContact O-N 2.93Å; I138-I150 HydrophobicContact CG2-CG2 3.51Å; I138-F151 CarbonylContact C-O 3.59Å; I138-F151 WeakPolarHBondContact CA-O 3.33Å; I138-N152 HydrophobicContact CD1-CB 3.59Å; I138-N152 WeakPolarHBondContact CD1-ND2 3.39Å; I138-W184 HydrophobicContact CG2-CH2 4.28Å; I138-W184 HydrophobicContact CG2-CZ2 4.2Å; I138-L211 HydrophobicContact CD1-CD1 3.65Å
139I98.8Very high98.3Very high0 Ų022.3 Ų22.30%013%0.126CC..EExtended strand (participates in β ladder)trans-121.8127179.3-60.4172.7000108.6I66 L78 I80 A129 R130 F131 T141 I150 F151 Y153I66-I139 HydrophobicContact CD1-CD1 3.75Å; I66-I139 HydrophobicContact CD1-CG1 3.99Å; I66-I139 HydrophobicContact CG1-CD1 3.99Å; I66-I139 HydrophobicContact CG2-CD1 4.3Å; I66-I139 HydrophobicContact CG2-CG2 4.31Å; L78-I139 HydrophobicContact CD1-CG2 4.26Å; L78-I139 HydrophobicContact CD2-CB 4.37Å; L78-I139 HydrophobicContact CD2-CD1 4.49Å; L78-I139 HydrophobicContact CD2-CG2 4.09Å; I80-I139 HydrophobicContact CD1-CD1 3.51Å; A129-I139 HydrophobicContact CB-CG2 4.15Å; R130-I139 WeakPolarHBondContact O-CA 3.15Å; F131-I139 HydrophobicContact CB-CG1 4.32Å; I139-T141 HydrophobicContact CG2-CG2 4.2Å; I139-I150 CarbonylContact O-C 3.56Å; I139-I150 WeakPolarHBondContact O-CA 3.26Å; I139-F151 PolarHBondContact N-O 3.21Å; I139-F151 PolarHBondContact O-N 3.45Å; I139-Y153 HydrophobicContact CD1-CD1 3.8Å; I139-Y153 HydrophobicContact CD1-CG 4.42Å; I139-Y153 HydrophobicContact CG1-CD1 4.38Å
140A98.9Very high98.3Very high0 Ų022.3 Ų22.30%013%0.126CC..EExtended strand (participates in β ladder)trans-91.9144.1167.400000110.2A129 R130 V148 L149 I150 L182 W184 L192A129-A140 CarbonylContact C-O 3.58Å; A129-A140 VanDerWaalsContact CA-O 3.3Å; A129-A140 WeakPolarHBondContact CA-O 3.49Å; R130-A140 PolarHBondContact N-O 3.49Å; R130-A140 PolarHBondContact O-N 2.94Å; A140-V148 HydrophobicContact CB-CG1 4.48Å; A140-L149 CarbonylContact C-O 3.51Å; A140-L149 VanDerWaalsContact CA-O 3.26Å; A140-L149 WeakPolarHBondContact CA-O 3.48Å; A140-I150 HydrophobicContact CB-CD1 3.55Å; A140-L182 HydrophobicContact CB-CD1 4.3Å; A140-L182 HydrophobicContact CB-CD2 3.89Å; A140-L182 HydrophobicContact CB-CG 4.46Å; A140-L182 WeakPolarHBondContact O-CD2 3.33Å; A140-W184 HydrophobicContact CB-CZ2 3.54Å; A140-L192 HydrophobicContact CB-CD1 4.25Å; A140-L192 HydrophobicContact CB-CD2 3.53Å
141T98.9Very high98.3Very high0 Ų021.3 Ų21.30%012%0.122CC..EExtended strand (participates in β ladder)trans-131.8144.1175.264.90000112.4L78 H122 V126 R128 A129 I139 V148 L149 F151L78-T141 HydrophobicContact CD1-CG2 4Å; L78-T141 HydrophobicContact CD2-CG2 4.09Å; H122-T141 PolarHBondContact CD2-OG1 3.39Å; H122-T141 WeakPolarHBondContact NE2-CB 3.25Å; H122-T141 PolarHBondContact NE2-OG1 3.21Å; V126-T141 HydrophobicContact CG1-CG2 4.04Å; R128-T141 CarbonylContact O-C 3.55Å; R128-T141 VanDerWaalsContact O-CA 3.23Å; R128-T141 WeakPolarHBondContact O-CA 3.4Å; A129-T141 HydrophobicContact CB-CG2 3.93Å; I139-T141 HydrophobicContact CG2-CG2 4.2Å; T141-V148 WeakPolarHBondContact O-CA 3.28Å; T141-V148 WeakPolarHBondContact O-CG1 3.22Å; T141-L149 PolarHBondContact N-O 3.28Å; T141-L149 PolarHBondContact O-N 2.8Å; T141-F151 HydrophobicContact CG2-CD2 4.16Å; T141-F151 HydrophobicContact CG2-CE2 4.18Å
142K98.9Very high98.2Very high1 Ų120.7 Ų20.70%0.00412%0.12CC..EExtended strand (participates in β ladder)trans-88.9138.5169.7-67.5-71.7-69176.30109.8N127 R128 V148 G179 L182 S194 A195N127-K142 HydrophobicContact CB-CB 3.83Å; N127-K142 PolarHBondContact N-O 2.92Å; R128-K142 HydrophobicContact CB-CB 4.35Å; R128-K142 HydrophobicContact CB-CG 4.12Å; R128-K142 PolarHBondContact O-N 3.14Å; K142-V148 HydrophobicContact CD-CG2 3.94Å; K142-G179 WeakPolarHBondContact CB-O 3.27Å; K142-G179 WeakPolarHBondContact CE-O 3.27Å; K142-L182 HydrophobicContact CD-CB 4.45Å; K142-L182 HydrophobicContact CD-CD1 3.97Å; K142-L182 HydrophobicContact CG-CB 4.04Å; K142-L182 HydrophobicContact CG-CD1 4.14Å; K142-L182 HydrophobicContact CG-CD2 4.22Å; K142-L182 HydrophobicContact CG-CG 4.37Å; K142-S194 PolarHBondContact NZ-OG 3.01Å; K142-A195 WeakPolarHBondContact CE-O 3.49Å; K142-A195 PolarHBondContact NZ-O 2.87Å
143T98.6Very high98.1Very high1 Ų121.3 Ų21.31%0.00612%0.123CC..  trans-117.9164179.675.10000111.2S145 D147 L149 E178T143-S145 PolarHBondContact O-N 2.85Å; T143-S145 PolarHBondContact OG1-N 2.84Å; T143-S145 PolarHBondContact OG1-OG 3.49Å; T143-D147 WeakPolarHBondContact CB-O 3.49Å; T143-D147 VanDerWaalsContact CG2-O 3.31Å; T143-D147 WeakPolarHBondContact CG2-O 3.37Å; T143-D147 PolarHBondContact OG1-O 2.83Å; T143-L149 HydrophobicContact CG2-CD1 3.67Å; T143-L149 HydrophobicContact CG2-CD2 4.44Å; T143-L149 HydrophobicContact CG2-CG 3.6Å; T143-E178 WeakPolarHBondContact O-CB 3.31Å
144P97.5Very high98Very high44 Ų4422 Ų2229%0.28613%0.128SC..THydrogen-bonded Turntrans-71.1-8.5174-19.334.9000114E125E125-P144 HydrophobicContact CG-CG 3.85Å; E125-P144 WeakPolarHBondContact OE1-CG 3.41Å; E125-P144 VanDerWaalsContact OE2-CG 3.3Å; E125-P144 WeakPolarHBondContact OE2-CG 3.32Å
145S96.7Very high97.9Very high66 Ų6626.1 Ų26.146%0.46214%0.14SC..THydrogen-bonded Turntrans-89.4-18.4-178.172.70000114T143 D147T143-S145 PolarHBondContact O-N 2.85Å; T143-S145 PolarHBondContact OG1-N 2.84Å; T143-S145 PolarHBondContact OG1-OG 3.49Å; S145-D147 WeakPolarHBondContact OG-CB 3.49Å; S145-D147 PolarHBondContact OG-N 3.26Å
146G96.1Very high97.8Very high0 Ų024.7 Ų24.70%013%0.131CC..SBendtrans94-17.6-168.400000114.8H175 K177G146-H175 WeakPolarHBondContact O-CB 3.25Å; G146-K177 VanDerWaalsContact CA-C 3.47Å; G146-K177 WeakPolarHBondContact CA-O 3.37Å
147D98.4Very high97.5Very high21 Ų2125.7 Ų25.711%0.11214%0.138CC..  trans-63140.7167.3-70-10000110.2T143 S145 L149 R171 K173T143-D147 WeakPolarHBondContact CB-O 3.49Å; T143-D147 VanDerWaalsContact CG2-O 3.31Å; T143-D147 WeakPolarHBondContact CG2-O 3.37Å; T143-D147 PolarHBondContact OG1-O 2.83Å; S145-D147 WeakPolarHBondContact OG-CB 3.49Å; S145-D147 PolarHBondContact OG-N 3.26Å; D147-L149 HydrophobicContact CB-CD2 4.2Å; D147-R171 HydrophobicContact CB-CG 4.34Å; D147-R171 VanDerWaalsContact OD2-CD 3.3Å; D147-R171 WeakPolarHBondContact OD2-CD 3.31Å; D147-R171 IonicContact OD2-CZ 3.34Å; D147-R171 IonicContact OD2-NE 3.7Å; D147-R171 IonicContact OD2-NH1 2.94Å; D147-R171 PolarHBondContact OD2-NH1 2.91Å; D147-K173 WeakPolarHBondContact OD1-CD 3.39Å; D147-K173 WeakPolarHBondContact OD1-CE 3.26Å; D147-K173 IonicContact OD1-NZ 3.08Å; D147-K173 PolarHBondContact OD1-NZ 2.75Å; D147-K173 IonicContact OD2-NZ 3.6Å; D147-K173 PolarHBondContact OD2-NZ 3.44Å
148V98.9Very high97.2Very high0 Ų027 Ų270%015%0.15CC..EExtended strand (participates in β ladder)trans-105.4127.1169-176.40000107.6A140 T141 K142 L172 L182 L192 W204A140-V148 HydrophobicContact CB-CG1 4.48Å; T141-V148 WeakPolarHBondContact O-CA 3.28Å; T141-V148 WeakPolarHBondContact O-CG1 3.22Å; K142-V148 HydrophobicContact CD-CG2 3.94Å; V148-L172 HydrophobicContact CB-CB 4.02Å; V148-L172 HydrophobicContact CB-CD1 4.26Å; V148-L172 HydrophobicContact CG1-CD1 4.15Å; V148-L172 PolarHBondContact N-O 2.61Å; V148-L172 VanDerWaalsContact N-O 3.15Å; V148-L172 WeakPolarHBondContact O-CA 3.28Å; V148-L172 VanDerWaalsContact O-CB 3.28Å; V148-L172 WeakPolarHBondContact O-CB 3.27Å; V148-L172 PolarHBondContact O-N 3.03Å; V148-L182 HydrophobicContact CG1-CD1 3.89Å; V148-L192 HydrophobicContact CG1-CD2 4.11Å; V148-W204 HydrophobicContact CB-CH2 4.45Å; V148-W204 HydrophobicContact CG2-CH2 3.85Å; V148-W204 HydrophobicContact CG2-CZ3 4.3Å
149L98.8Very high96.8Very high0 Ų034.3 Ų34.30%018%0.181CC..EExtended strand (participates in β ladder)trans-105.2143-174.7-53.7-175.8000110.4E123 A140 T141 T143 D147 F151 P168 R171E123-L149 HydrophobicContact CB-CD1 4.42Å; A140-L149 CarbonylContact C-O 3.51Å; A140-L149 VanDerWaalsContact CA-O 3.26Å; A140-L149 WeakPolarHBondContact CA-O 3.48Å; T141-L149 PolarHBondContact N-O 3.28Å; T141-L149 PolarHBondContact O-N 2.8Å; T143-L149 HydrophobicContact CG2-CD1 3.67Å; T143-L149 HydrophobicContact CG2-CD2 4.44Å; T143-L149 HydrophobicContact CG2-CG 3.6Å; D147-L149 HydrophobicContact CB-CD2 4.2Å; L149-F151 HydrophobicContact CB-CD2 4.38Å; L149-F151 HydrophobicContact CB-CE2 3.59Å; L149-F151 HydrophobicContact CB-CZ 4.05Å; L149-F151 HydrophobicContact CD1-CE2 4.19Å; L149-F151 HydrophobicContact CD1-CZ 3.97Å; L149-P168 HydrophobicContact CB-CB 3.98Å; L149-P168 HydrophobicContact CD1-CB 4.38Å; L149-P168 HydrophobicContact CD2-CB 4.12Å; L149-P168 HydrophobicContact CD2-CG 4.04Å; L149-P168 HydrophobicContact CG-CB 4.38Å; L149-R171 HydrophobicContact CD2-CB 4.37Å; L149-R171 HydrophobicContact CD2-CG 4.01Å
150I98.8Very high95.9Very high0 Ų035.4 Ų35.40%019%0.188CC..EExtended strand (participates in β ladder)trans-111.6133.5172.6-53.8-58.8000109I138 I139 A140 D169 L170 L172 W184 L192 V206 L211I138-I150 HydrophobicContact CG2-CG2 3.51Å; I139-I150 CarbonylContact O-C 3.56Å; I139-I150 WeakPolarHBondContact O-CA 3.26Å; A140-I150 HydrophobicContact CB-CD1 3.55Å; I150-D169 WeakPolarHBondContact O-CB 3.45Å; I150-D169 PolarHBondContact O-N 3.25Å; I150-L170 HydrophobicContact CB-CB 3.89Å; I150-L170 HydrophobicContact CG1-CB 4.06Å; I150-L170 HydrophobicContact CG1-CD2 4.36Å; I150-L170 PolarHBondContact N-O 3.24Å; I150-L170 PolarHBondContact O-N 3.21Å; I150-L172 HydrophobicContact CD1-CD1 3.86Å; I150-L172 HydrophobicContact CD1-CG 4.44Å; I150-L172 HydrophobicContact CG1-CD1 4.04Å; I150-L172 HydrophobicContact CG1-CD2 4.42Å; I150-L172 HydrophobicContact CG1-CG 4.09Å; I150-W184 HydrophobicContact CD1-CH2 3.96Å; I150-W184 HydrophobicContact CD1-CZ2 3.95Å; I150-L192 HydrophobicContact CD1-CD2 3.94Å; I150-V206 HydrophobicContact CD1-CG1 4.14Å; I150-V206 HydrophobicContact CG1-CG1 4.21Å; I150-L211 HydrophobicContact CG2-CD2 4.16Å
151F98.5Very high95.2Very high0 Ų038.5 Ų38.50%021%0.208CC..EExtended strand (participates in β ladder)trans-123.2129.9174.1-61.8-87.9000110L78 I120 H122 I138 I139 T141 L149 Y153 H156 P168 D169L78-F151 HydrophobicContact CD2-CB 4.04Å; L78-F151 HydrophobicContact CD2-CD2 3.76Å; L78-F151 HydrophobicContact CD2-CE2 4.45Å; L78-F151 HydrophobicContact CD2-CG 3.96Å; I120-F151 HydrophobicContact CG2-CD1 3.84Å; I120-F151 HydrophobicContact CG2-CE1 3.86Å; H122-F151 AromaticContact CD2-CE2 3.79Å; H122-F151 AromaticContact CD2-CZ 3.97Å; I138-F151 CarbonylContact C-O 3.59Å; I138-F151 WeakPolarHBondContact CA-O 3.33Å; I139-F151 PolarHBondContact N-O 3.21Å; I139-F151 PolarHBondContact O-N 3.45Å; T141-F151 HydrophobicContact CG2-CD2 4.16Å; T141-F151 HydrophobicContact CG2-CE2 4.18Å; L149-F151 HydrophobicContact CB-CD2 4.38Å; L149-F151 HydrophobicContact CB-CE2 3.59Å; L149-F151 HydrophobicContact CB-CZ 4.05Å; L149-F151 HydrophobicContact CD1-CE2 4.19Å; L149-F151 HydrophobicContact CD1-CZ 3.97Å; F151-Y153 PolarHBondContact O-N 2.87Å; F151-H156 AromaticContact CD1-NE2 3.93Å; F151-P168 HydrophobicContact CE1-CB 4.13Å; F151-P168 HydrophobicContact CZ-CB 4.13Å; F151-D169 WeakPolarHBondContact CA-OD2 3.42Å
152N97.7Very high94.1Very high18 Ų1842.7 Ų42.710%0.09624%0.237CC..EExtended strand (participates in β ladder)trans-92.988.4163.4-174.8-34.5000107.3D137 I138 P154 R155 H156 D169 L211D137-N152 WeakPolarHBondContact O-CA 3.49Å; I138-N152 HydrophobicContact CD1-CB 3.59Å; I138-N152 WeakPolarHBondContact CD1-ND2 3.39Å; N152-P154 VanDerWaalsContact C-CD 3.45Å; N152-P154 VanDerWaalsContact C-N 3.34Å; N152-P154 VanDerWaalsContact O-N 3.17Å; N152-P154 WeakPolarHBondContact OD1-CD 3.36Å; N152-R155 HydrophobicContact CB-CG 4.1Å; N152-R155 PolarHBondContact ND2-NE 2.87Å; N152-R155 VanDerWaalsContact ND2-NE 3.19Å; N152-R155 WeakPolarHBondContact O-CB 3.17Å; N152-R155 PolarHBondContact O-N 2.87Å; N152-H156 PolarHBondContact O-CD2 2.99Å; N152-D169 PolarHBondContact N-OD2 2.79Å; N152-L211 HydrophobicContact CB-CD1 4.42Å
153Y96.5Very high93.3Very high20 Ų2049.3 Ų49.38%0.07827%0.273CS..G310 helixtrans-56.3-39.4-162.387-108.9000113.3L50 I80 M118 D137 I139 F151 R155 H156L50-Y153 HydrophobicContact CD1-CE1 4.32Å; I80-Y153 HydrophobicContact CD1-CD1 4.46Å; I80-Y153 HydrophobicContact CD1-CG 4.44Å; I80-Y153 HydrophobicContact CG1-CD2 4.25Å; I80-Y153 HydrophobicContact CG1-CG 4.2Å; M118-Y153 VanDerWaalsContact CE-CB 3.41Å; M118-Y153 HydrophobicContact CE-CD2 3.23Å; M118-Y153 HydrophobicContact CE-CE2 4.34Å; M118-Y153 HydrophobicContact CE-CG 3.67Å; M118-Y153 WeakPolarHBondContact CE-O 3.41Å; M118-Y153 HydrophobicContact SD-CD2 3.58Å; M118-Y153 VanDerWaalsContact SD-CD2 3.58Å; M118-Y153 HydrophobicContact SD-CE2 4.24Å; D137-Y153 VanDerWaalsContact CA-CE1 3.5Å; D137-Y153 HydrophobicContact CB-CD1 4.49Å; D137-Y153 HydrophobicContact CB-CE1 4.19Å; D137-Y153 VanDerWaalsContact O-CD1 3.31Å; D137-Y153 WeakPolarHBondContact O-CD1 3.49Å; D137-Y153 PolarHBondContact O-N 2.82Å; D137-Y153 WeakPolarHBondContact OD1-CE1 3.44Å; D137-Y153 PolarHBondContact OD1-OH 2.86Å; I139-Y153 HydrophobicContact CD1-CD1 3.8Å; I139-Y153 HydrophobicContact CD1-CG 4.42Å; I139-Y153 HydrophobicContact CG1-CD1 4.38Å; F151-Y153 PolarHBondContact O-N 2.87Å; Y153-R155 PolarHBondContact O-N 3.08Å; Y153-R155 VanDerWaalsContact O-N 3.11Å; Y153-H156 PolarHBondContact O-N 2.92Å
154P96Very high92.5Very high68 Ų6856.4 Ų56.444%0.44230%0.299SS..G310 helixtrans-64-15.5177.2-23.134.4000115.3D137 N152 H156D137-P154 HydrophobicContact CB-CG 3.85Å; N152-P154 VanDerWaalsContact C-CD 3.45Å; N152-P154 VanDerWaalsContact C-N 3.34Å; N152-P154 VanDerWaalsContact O-N 3.17Å; N152-P154 WeakPolarHBondContact OD1-CD 3.36Å; P154-H156 VanDerWaalsContact C-N 3.31Å
155R95Very high92.2Very high152 Ų15255.7 Ų55.757%0.57430%0.3SS*.G310 helixtrans-80.6-14.5174.6-63.4-174.8-178.5-177.1-2.2112.9N152 Y153 L211N152-R155 HydrophobicContact CB-CG 4.1Å; N152-R155 PolarHBondContact ND2-NE 2.87Å; N152-R155 VanDerWaalsContact ND2-NE 3.19Å; N152-R155 WeakPolarHBondContact O-CB 3.17Å; N152-R155 PolarHBondContact O-N 2.87Å; Y153-R155 PolarHBondContact O-N 3.08Å; Y153-R155 VanDerWaalsContact O-N 3.11Å; R155-L211 PolarHBondContact NH1-O 2.62Å; R155-L211 VanDerWaalsContact NH1-O 3.16Å
156H95.3Very high92.1Very high30 Ų3053.5 Ų53.514%0.13928%0.284CS..SBendtrans-91.3148.7178.4-68.6-83.1000111.1I120 F151 N152 Y153 P154 Q167 D169I120-H156 HydrophobicContact CD1-CB 3.82Å; I120-H156 HydrophobicContact CG1-CB 3.85Å; F151-H156 AromaticContact CD1-NE2 3.93Å; N152-H156 PolarHBondContact O-CD2 2.99Å; Y153-H156 PolarHBondContact O-N 2.92Å; P154-H156 VanDerWaalsContact C-N 3.31Å; H156-Q167 PolarHBondContact CE1-O 2.83Å; H156-D169 IonicContact CD2-OD2 3.13Å; H156-D169 IonicContact CE1-OD2 2.74Å; H156-D169 IonicContact NE2-OD2 2.87Å; H156-D169 PolarHBondContact NE2-OD2 2.87Å
157P93.6Very high92.1Very high55 Ų5558.5 Ų58.536%0.35731%0.307SS..  trans-64.9148.6172.828.9-34.2000110.5K159 T160P157-K159 PolarHBondContact O-N 2.9Å; P157-K159 VanDerWaalsContact O-N 3.1Å; P157-T160 HydrophobicContact CG-CG2 4.48Å
158P91.3Very high92.1Very high85 Ų8558.2 Ų58.255%0.55231%0.307SS*.SBendtrans-55.6-32.9179.6-27.934.7000114M118 K119M118-P158 CarbonylContact C-O 3.57Å; M118-P158 WeakPolarHBondContact CA-O 3.42Å; K119-P158 PolarHBondContact N-O 3.2Å
159K89.9Confident92Very high160 Ų16059 Ų5970%0.69631%0.311SS*.BIsolated β-bridgetrans-130114.8170.2-70.6-175.7-179.9-178.70108.2P157 P161P157-K159 PolarHBondContact O-N 2.9Å; P157-K159 VanDerWaalsContact O-N 3.1Å; K159-P161 WeakPolarHBondContact O-CD 3.48Å
160T80.2Confident92Very high22 Ų2259 Ų5914%0.13531%0.311CS..  trans-82.9126176.2-46.20000108.6K119 P157 R164K119-T160 PolarHBondContact O-N 2.81Å; K119-T160 PolarHBondContact O-OG1 2.84Å; P157-T160 HydrophobicContact CG-CG2 4.48Å; T160-R164 HydrophobicContact CG2-CB 4.27Å
161P82.8Confident92Very high66 Ų6660.6 Ų60.643%0.42932%0.317SS..  trans-57.7138.5169.4-28.138.9000110.9N121 K159 D163 R164N121-P161 PolarHBondContact ND2-O 2.84Å; K159-P161 WeakPolarHBondContact O-CD 3.48Å; P161-D163 WeakPolarHBondContact CB-OD1 3.4Å; P161-D163 PolarHBondContact O-N 3.36Å; P161-R164 PolarHBondContact O-N 2.99Å
162S76.9Confident92Very high88 Ų8860.6 Ų60.662%0.61532%0.317SS*.G310 helixtrans-64.2-22.8-177.249.70000113.5R164S162-R164 VanDerWaalsContact C-N 3.29Å; S162-R164 PolarHBondContact O-N 3.48Å
163D81.4Confident92Very high140 Ų14062.3 Ų62.375%0.74932%0.324SS*.G310 helixtrans-71.9-17.817967.3-27.5000114.1P161 G165P161-D163 WeakPolarHBondContact CB-OD1 3.4Å; P161-D163 PolarHBondContact O-N 3.36Å; D163-G165 VanDerWaalsContact C-N 3.25Å; D163-G165 PolarHBondContact O-N 3.01Å
164R83.2Confident92.1Very high150 Ų15062.3 Ų62.357%0.56633%0.33SS*.G310 helixtrans-75-11.7178.8-77.3-165.8174.9-145.20.8114.4T160 P161 S162 Q167T160-R164 HydrophobicContact CG2-CB 4.27Å; P161-R164 PolarHBondContact O-N 2.99Å; S162-R164 VanDerWaalsContact C-N 3.29Å; S162-R164 PolarHBondContact O-N 3.48Å; R164-Q167 PolarHBondContact O-NE2 2.99Å
165G90.1Very high92.3Very high28 Ų2859.5 Ų59.529%0.28931%0.311SS..  trans61.5-170.8-170.400000112.2N121 D163N121-G165 VanDerWaalsContact CB-O 3.22Å; N121-G165 WeakPolarHBondContact CB-O 3.27Å; N121-G165 PolarHBondContact ND2-O 3.44Å; D163-G165 VanDerWaalsContact C-N 3.25Å; D163-G165 PolarHBondContact O-N 3.01Å
166C95.3Very high92.4Very high21 Ų2159.8 Ų59.814%0.14232%0.319CS..  trans-81136172.8-171.70000110.4N121 E123N121-C166 PolarHBondContact O-SG 3.29Å; E123-C166 HydrophobicContact CB-CB 4.27Å; E123-C166 HydrophobicContact CG-CB 3.54Å
167Q95.7Very high92.6Very high104 Ų10464 Ų6449%0.48634%0.337SS..  trans-133.278.3178.6-64.7-174.4-3.400108.7H156 R164H156-Q167 PolarHBondContact CE1-O 2.83Å; R164-Q167 PolarHBondContact O-NE2 2.99Å
168P97.6Very high92.8Very high15 Ų1564 Ų6410%0.09733%0.332CS..  trans-65.5149.717731.2-36.6000110.7L149 F151 L170 G213L149-P168 HydrophobicContact CB-CB 3.98Å; L149-P168 HydrophobicContact CD1-CB 4.38Å; L149-P168 HydrophobicContact CD2-CB 4.12Å; L149-P168 HydrophobicContact CD2-CG 4.04Å; L149-P168 HydrophobicContact CG-CB 4.38Å; F151-P168 HydrophobicContact CE1-CB 4.13Å; F151-P168 HydrophobicContact CZ-CB 4.13Å; P168-L170 VanDerWaalsContact C-N 3.3Å; P168-G213 WeakPolarHBondContact O-CA 3.17Å
169D98.1Very high93.1Very high16 Ų1660 Ų609%0.08631%0.305CS..SBendtrans-74.5-23174.1-70.1-93.7000111.9I150 F151 N152 H156 L211 D212 G213I150-D169 WeakPolarHBondContact O-CB 3.45Å; I150-D169 PolarHBondContact O-N 3.25Å; F151-D169 WeakPolarHBondContact CA-OD2 3.42Å; N152-D169 PolarHBondContact N-OD2 2.79Å; H156-D169 IonicContact CD2-OD2 3.13Å; H156-D169 IonicContact CE1-OD2 2.74Å; H156-D169 IonicContact NE2-OD2 2.87Å; H156-D169 PolarHBondContact NE2-OD2 2.87Å; D169-L211 HydrophobicContact CB-CB 4.13Å; D169-L211 HydrophobicContact CB-CD2 4.28Å; D169-L211 CarbonylContact O-C 3.49Å; D169-L211 VanDerWaalsContact O-C 3.23Å; D169-L211 VanDerWaalsContact O-CA 3.25Å; D169-L211 WeakPolarHBondContact O-CA 3.36Å; D169-D212 PolarHBondContact O-N 3.41Å; D169-D212 VanDerWaalsContact O-N 3.12Å; D169-G213 WeakPolarHBondContact O-CA 3.43Å; D169-G213 PolarHBondContact O-N 3.46Å
170L98.3Very high93.6Very high0 Ų056.1 Ų56.10%029%0.287CS..EExtended strand (participates in β ladder)trans-154.2141.5170.6-169.570000109.3I150 P168 L172 V206 A209 L211 C214 L216I150-L170 HydrophobicContact CB-CB 3.89Å; I150-L170 HydrophobicContact CG1-CB 4.06Å; I150-L170 HydrophobicContact CG1-CD2 4.36Å; I150-L170 PolarHBondContact N-O 3.24Å; I150-L170 PolarHBondContact O-N 3.21Å; P168-L170 VanDerWaalsContact C-N 3.3Å; L170-L172 HydrophobicContact CD2-CD2 3.53Å; L170-L172 HydrophobicContact CG-CD2 3.9Å; L170-V206 HydrophobicContact CD2-CB 3.99Å; L170-V206 HydrophobicContact CD2-CG1 4.4Å; L170-A209 HydrophobicContact CD1-CB 3.66Å; L170-A209 HydrophobicContact CD2-CB 4.47Å; L170-L211 HydrophobicContact CB-CD2 3.9Å; L170-L211 HydrophobicContact CD2-CD2 4.41Å; L170-C214 WeakPolarHBondContact CD1-O 3.35Å; L170-C214 WeakPolarHBondContact CD1-SG 3.4Å; L170-L216 HydrophobicContact CD1-CB 4.16Å; L170-L216 HydrophobicContact CD2-CB 4.3Å; L170-L216 HydrophobicContact CD2-CD2 3.96Å; L170-L216 HydrophobicContact CG-CB 4.32Å
171R98.6Very high94.4Very high35 Ų3555 Ų5513%0.13228%0.281CS..EExtended strand (participates in β ladder)trans-112.2114.8175.2-178.6177.1-64.3-89.9-1.2110E123 D147 L149 K173 C214 D215 L216E123-R171 IonicContact OE1-CZ 2.81Å; E123-R171 IonicContact OE1-NH2 2.84Å; E123-R171 PolarHBondContact OE1-NH2 3.05Å; E123-R171 IonicContact OE2-CZ 3.85Å; E123-R171 VanDerWaalsContact OE2-CZ 3.25Å; E123-R171 IonicContact OE2-NH1 3.86Å; E123-R171 PolarHBondContact OE2-NH1 2.89Å; E123-R171 IonicContact OE2-NH2 3.11Å; E123-R171 PolarHBondContact OE2-NH2 3.09Å; D147-R171 HydrophobicContact CB-CG 4.34Å; D147-R171 VanDerWaalsContact OD2-CD 3.3Å; D147-R171 WeakPolarHBondContact OD2-CD 3.31Å; D147-R171 IonicContact OD2-CZ 3.34Å; D147-R171 IonicContact OD2-NE 3.7Å; D147-R171 IonicContact OD2-NH1 2.94Å; D147-R171 PolarHBondContact OD2-NH1 2.91Å; L149-R171 HydrophobicContact CD2-CB 4.37Å; L149-R171 HydrophobicContact CD2-CG 4.01Å; R171-K173 VanDerWaalsContact CD-CE 3.47Å; R171-K173 HydrophobicContact CG-CD 4.14Å; R171-C214 PolarHBondContact N-O 3.05Å; R171-D215 WeakPolarHBondContact CB-OD1 3.19Å; R171-D215 WeakPolarHBondContact CD-OD1 3.25Å; R171-D215 CarbonylContact O-C 3.51Å; R171-D215 VanDerWaalsContact O-CA 3.29Å; R171-D215 WeakPolarHBondContact O-CA 3.38Å; R171-L216 PolarHBondContact O-N 3.36Å
172L98.8Very high95.2Very high0 Ų052.2 Ų52.20%026%0.262CS..EExtended strand (participates in β ladder)trans-91.8121.9-178.3-53.5-175.7000110.1V148 I150 L170 L192 W204 V206 L216V148-L172 HydrophobicContact CB-CB 4.02Å; V148-L172 HydrophobicContact CB-CD1 4.26Å; V148-L172 HydrophobicContact CG1-CD1 4.15Å; V148-L172 PolarHBondContact N-O 2.61Å; V148-L172 VanDerWaalsContact N-O 3.15Å; V148-L172 WeakPolarHBondContact O-CA 3.28Å; V148-L172 VanDerWaalsContact O-CB 3.28Å; V148-L172 WeakPolarHBondContact O-CB 3.27Å; V148-L172 PolarHBondContact O-N 3.03Å; I150-L172 HydrophobicContact CD1-CD1 3.86Å; I150-L172 HydrophobicContact CD1-CG 4.44Å; I150-L172 HydrophobicContact CG1-CD1 4.04Å; I150-L172 HydrophobicContact CG1-CD2 4.42Å; I150-L172 HydrophobicContact CG1-CG 4.09Å; L170-L172 HydrophobicContact CD2-CD2 3.53Å; L170-L172 HydrophobicContact CG-CD2 3.9Å; L172-L192 HydrophobicContact CD1-CD2 3.69Å; L172-W204 HydrophobicContact CB-CD2 3.97Å; L172-W204 HydrophobicContact CB-CG 4.17Å; L172-W204 HydrophobicContact CB-CZ2 4.02Å; L172-W204 HydrophobicContact CD1-CB 4.2Å; L172-W204 HydrophobicContact CD1-CD2 3.89Å; L172-W204 HydrophobicContact CD1-CE3 4.01Å; L172-W204 HydrophobicContact CD1-CG 3.97Å; L172-W204 HydrophobicContact CD2-CB 4.31Å; L172-W204 HydrophobicContact CD2-CG 4.09Å; L172-W204 HydrophobicContact CG-CD2 4.41Å; L172-W204 HydrophobicContact CG-CG 4.32Å; L172-V206 HydrophobicContact CD1-CG1 4.07Å; L172-V206 HydrophobicContact CD2-CG1 4.27Å; L172-L216 WeakPolarHBondContact CA-O 3.34Å; L172-L216 HydrophobicContact CD2-CB 3.94Å; L172-L216 HydrophobicContact CD2-CD2 3.89Å; L172-L216 HydrophobicContact CD2-CG 4.27Å
173K98.4Very high96.3Very high54 Ų5448.9 Ų48.924%0.23524%0.238CC..EExtended strand (participates in β ladder)trans-107.1144.9-177.4-61.6-58.8-157.9172.80111D147 R171 W204 D215 L216 D217 A218D147-K173 WeakPolarHBondContact OD1-CD 3.39Å; D147-K173 WeakPolarHBondContact OD1-CE 3.26Å; D147-K173 IonicContact OD1-NZ 3.08Å; D147-K173 PolarHBondContact OD1-NZ 2.75Å; D147-K173 IonicContact OD2-NZ 3.6Å; D147-K173 PolarHBondContact OD2-NZ 3.44Å; R171-K173 VanDerWaalsContact CD-CE 3.47Å; R171-K173 HydrophobicContact CG-CD 4.14Å; K173-W204 PolarHBondContact O-NE1 3.15Å; K173-D215 WeakPolarHBondContact CE-OD2 3.34Å; K173-D215 HydrophobicContact CG-CB 4.23Å; K173-L216 PolarHBondContact N-O 3.07Å; K173-D217 CarbonylContact O-C 3.52Å; K173-A218 PolarHBondContact O-N 3.22Å
174G98.4Very high97.1Very high20 Ų2042.8 Ų42.821%0.20621%0.205CC..  trans166-48.5175.200000112.3Q176G174-Q176 PolarHBondContact O-NE2 2.88Å
175H98.6Very high97.8Very high9 Ų935.7 Ų35.74%0.04218%0.178CC..  trans-72.4157.8178.2-66.8-63.2000113.1G146 S194 S196 D198 T200 C202 W204G146-H175 WeakPolarHBondContact O-CB 3.25Å; H175-S194 PolarHBondContact CD2-OG 3.38Å; H175-S194 VanDerWaalsContact CD2-OG 3.25Å; H175-S194 WeakPolarHBondContact NE2-CB 3.31Å; H175-S194 PolarHBondContact NE2-O 2.8Å; H175-S194 PolarHBondContact NE2-OG 3Å; H175-S196 WeakPolarHBondContact CE1-CB 3.47Å; H175-S196 WeakPolarHBondContact ND1-CB 3.42Å; H175-D198 WeakPolarHBondContact CA-OD2 3.31Å; H175-D198 WeakPolarHBondContact CB-OD2 3.44Å; H175-D198 IonicContact CG-OD2 2.74Å; H175-D198 IonicContact ND1-OD1 2.74Å; H175-D198 PolarHBondContact ND1-OD1 2.95Å; H175-D198 IonicContact ND1-OD2 2.66Å; H175-D198 PolarHBondContact ND1-OD2 3.16Å; H175-T200 PolarHBondContact CE1-O 2.85Å; H175-T200 PolarHBondContact CE1-OG1 3.43Å; H175-T200 PolarHBondContact ND1-OG1 2.98Å; H175-T200 VanDerWaalsContact ND1-OG1 3.13Å; H175-C202 VanDerWaalsContact CE1-SG 3.57Å; H175-W204 AromaticContact CD2-CH2 3.89Å; H175-W204 AromaticContact NE2-CH2 3.98Å
176Q98.2Very high98.2Very high158 Ų15837 Ų3774%0.73818%0.181SC*.SBendtrans-111.6-10177.5-56.1-55.9-56.900113.2G174 D198G174-Q176 PolarHBondContact O-NE2 2.88Å; Q176-D198 HydrophobicContact CB-CB 4.22Å; Q176-D198 PolarHBondContact N-OD2 2.88Å
177K98.6Very high98.3Very high119 Ų11939.2 Ų39.252%0.51720%0.196SC..SBendtrans-141.8169.7177.4-65.1-175.8-179.71780109.5G146 S196 D197 D198G146-K177 VanDerWaalsContact CA-C 3.47Å; G146-K177 WeakPolarHBondContact CA-O 3.37Å; K177-S196 PolarHBondContact O-OG 2.85Å; K177-D197 HydrophobicContact CB-CB 3.95Å; K177-D197 HydrophobicContact CD-CB 3.89Å; K177-D198 HydrophobicContact CB-CB 4.2Å; K177-D198 HydrophobicContact CG-CB 4.28Å
178E98.5Very high98.4Very high54 Ų5436.7 Ų36.725%0.25219%0.186SC..  trans-62.8-177.1173.971.4179.2127.600113.7N127 T143 S196 D197N127-E178 PolarHBondContact ND2-OE2 2.91Å; T143-E178 WeakPolarHBondContact O-CB 3.31Å; E178-S196 VanDerWaalsContact O-CA 3.28Å; E178-S196 WeakPolarHBondContact O-CA 3.45Å; E178-S196 VanDerWaalsContact O-CB 3.29Å; E178-S196 WeakPolarHBondContact O-CB 3.34Å; E178-S196 PolarHBondContact O-OG 3.07Å; E178-D197 PolarHBondContact O-N 3.19Å
179G98.6Very high98.4Very high0 Ų039.8 Ų39.80%020%0.201CC..  trans177-177.5168.300000111.2N127 K142N127-G179 PolarHBondContact ND2-O 2.91Å; K142-G179 WeakPolarHBondContact CB-O 3.27Å; K142-G179 WeakPolarHBondContact CE-O 3.27Å
180Y98.6Very high98.4Very high79 Ų7939 Ų3931%0.3120%0.197SC..  trans-118.8-41.7-174.6-65-90.8000112.6N127 R128 L182N127-Y180 HydrophobicContact CB-CD1 3.8Å; N127-Y180 HydrophobicContact CB-CE1 3.81Å; R128-Y180 VanDerWaalsContact CB-O 3.31Å; R128-Y180 WeakPolarHBondContact CB-O 3.18Å; R128-Y180 WeakPolarHBondContact CD-O 3.33Å; R128-Y180 PolarHBondContact NE-O 2.85Å; R128-Y180 PolarHBondContact NH1-O 3.18Å; Y180-L182 PolarHBondContact O-N 3.25Å
181G98.8Very high98.4Very high0 Ų040.7 Ų40.70%021%0.205CC..  trans-53.9127.7-179.600000113.9S194 A195 E230 D231G181-S194 CarbonylContact O-C 3.55Å; G181-S194 VanDerWaalsContact O-CA 3.31Å; G181-S194 WeakPolarHBondContact O-CA 3.47Å; G181-A195 PolarHBondContact O-N 3.29Å; G181-E230 WeakPolarHBondContact CA-O 3.39Å; G181-E230 PolarHBondContact N-O 2.78Å; G181-D231 WeakPolarHBondContact CA-OD1 3.45Å
182L98.9Very high98.5Very high7 Ų739 Ų394%0.03720%0.199CC..EExtended strand (participates in β ladder)trans-155.6119.2-177.6-168.471.7000110R128 R130 A140 K142 V148 Y180 L192 L193R128-L182 HydrophobicContact CB-CB 4.46Å; R128-L182 HydrophobicContact CG-CB 4.22Å; R130-L182 HydrophobicContact CB-CD2 4.05Å; R130-L182 HydrophobicContact CG-CB 4.43Å; R130-L182 HydrophobicContact CG-CD2 4.05Å; R130-L182 HydrophobicContact CG-CG 4.41Å; A140-L182 HydrophobicContact CB-CD1 4.3Å; A140-L182 HydrophobicContact CB-CD2 3.89Å; A140-L182 HydrophobicContact CB-CG 4.46Å; A140-L182 WeakPolarHBondContact O-CD2 3.33Å; K142-L182 HydrophobicContact CD-CB 4.45Å; K142-L182 HydrophobicContact CD-CD1 3.97Å; K142-L182 HydrophobicContact CG-CB 4.04Å; K142-L182 HydrophobicContact CG-CD1 4.14Å; K142-L182 HydrophobicContact CG-CD2 4.22Å; K142-L182 HydrophobicContact CG-CG 4.37Å; V148-L182 HydrophobicContact CG1-CD1 3.89Å; Y180-L182 PolarHBondContact O-N 3.25Å; L182-L192 HydrophobicContact CD1-CD1 3.75Å; L182-L192 HydrophobicContact CD1-CD2 4.14Å; L182-L192 HydrophobicContact CD1-CG 4.15Å; L182-L192 HydrophobicContact CG-CD1 4.07Å; L182-L193 WeakPolarHBondContact CA-O 3.21Å
183S98.9Very high98.5Very high17 Ų1739 Ų3912%0.11920%0.199CC..EExtended strand (participates in β ladder)trans-144.7123.2-176.3-173.90000112.9L192 L193 V232 W234S183-L192 WeakPolarHBondContact O-CD1 3.33Å; S183-L193 PolarHBondContact N-O 3.28Å; S183-L193 PolarHBondContact O-N 3.2Å; S183-V232 WeakPolarHBondContact CB-O 3.12Å; S183-W234 PolarHBondContact O-NE1 2.85Å; S183-W234 VanDerWaalsContact O-NE1 3.15Å; S183-W234 PolarHBondContact OG-N 2.85Å; S183-W234 VanDerWaalsContact OG-N 3.11Å
184W98.9Very high98.5Very high13 Ų1336.5 Ų36.55%0.04919%0.188CC..EExtended strand (participates in β ladder)trans-82.9139.5171-72103.4000111.2R130 F131 M132 P133 I138 A140 I150 V186 L192 V206R130-W184 PolarHBondContact O-NE1 3.42Å; F131-W184 VanDerWaalsContact C-CD1 3.44Å; M132-W184 HydrophobicContact CB-CD2 3.85Å; M132-W184 HydrophobicContact CB-CE3 4.11Å; M132-W184 HydrophobicContact CB-CG 4.33Å; M132-W184 HydrophobicContact CB-CH2 4.3Å; M132-W184 HydrophobicContact CB-CZ2 4.04Å; M132-W184 HydrophobicContact CB-CZ3 4.34Å; M132-W184 HydrophobicContact CG-CD2 3.98Å; M132-W184 HydrophobicContact CG-CE3 3.78Å; M132-W184 HydrophobicContact CG-CH2 4.47Å; M132-W184 HydrophobicContact CG-CZ3 4.06Å; M132-W184 HydrophobicContact SD-CE3 4.04Å; M132-W184 HydrophobicContact SD-CH2 4.15Å; M132-W184 HydrophobicContact SD-CZ3 3.74Å; P133-W184 HydrophobicContact CG-CB 4.17Å; I138-W184 HydrophobicContact CG2-CH2 4.28Å; I138-W184 HydrophobicContact CG2-CZ2 4.2Å; A140-W184 HydrophobicContact CB-CZ2 3.54Å; I150-W184 HydrophobicContact CD1-CH2 3.96Å; I150-W184 HydrophobicContact CD1-CZ2 3.95Å; W184-V186 PolarHBondContact O-N 3.43Å; W184-L192 HydrophobicContact CD2-CB 4.32Å; W184-L192 HydrophobicContact CD2-CD1 3.7Å; W184-L192 HydrophobicContact CD2-CG 4.47Å; W184-L192 HydrophobicContact CE3-CB 3.82Å; W184-L192 HydrophobicContact CE3-CD1 4.1Å; W184-L192 HydrophobicContact CE3-CG 4.44Å; W184-L192 HydrophobicContact CG-CD1 3.95Å; W184-L192 HydrophobicContact CH2-CB 4.24Å; W184-L192 HydrophobicContact CH2-CD2 4.08Å; W184-L192 HydrophobicContact CZ2-CD1 4.35Å; W184-L192 HydrophobicContact CZ2-CD2 4.06Å; W184-L192 HydrophobicContact CZ3-CB 3.76Å; W184-L192 HydrophobicContact CZ3-CD2 4.43Å; W184-L192 HydrophobicContact CZ3-CG 4.48Å; W184-V206 HydrophobicContact CH2-CB 4.46Å; W184-V206 HydrophobicContact CH2-CG1 3.78Å; W184-V206 HydrophobicContact CH2-CG2 3.88Å; W184-V206 HydrophobicContact CZ3-CG1 3.99Å; W184-V206 HydrophobicContact CZ3-CG2 3.89Å
185N98.8Very high98.5Very high0 Ų035.5 Ų35.50%018%0.178CC..  trans-75.3124.6174.4-165.9-49.9000109.7Q134 S187 L188 H191 W234 G239Q134-N185 PolarHBondContact NE2-O 2.76Å; N185-S187 WeakPolarHBondContact OD1-CA 3.45Å; N185-S187 WeakPolarHBondContact OD1-CB 3.41Å; N185-S187 PolarHBondContact OD1-N 3.21Å; N185-L188 HydrophobicContact CB-CB 4.29Å; N185-L188 PolarHBondContact OD1-N 2.84Å; N185-H191 HydrophobicContact CB-CB 3.71Å; N185-H191 WeakPolarHBondContact CB-O 3.47Å; N185-H191 PolarHBondContact N-O 3.35Å; N185-W234 VanDerWaalsContact CA-CD1 3.49Å; N185-W234 HydrophobicContact CB-CD2 3.91Å; N185-W234 HydrophobicContact CB-CG 3.96Å; N185-W234 HydrophobicContact CB-CZ2 4.23Å; N185-W234 VanDerWaalsContact N-CD1 3.27Å; N185-W234 VanDerWaalsContact ND2-CD2 3.33Å; N185-W234 VanDerWaalsContact ND2-CZ3 3.34Å; N185-W234 WeakPolarHBondContact ND2-CZ3 3.46Å; N185-G239 PolarHBondContact ND2-O 3.37Å
186V97.8Very high98.5Very high57 Ų5735.1 Ų35.135%0.34518%0.176SC..SBendtrans-74.5-25.7178.6-64.20000113.1P133 Q134 W184 L236P133-V186 HydrophobicContact CB-CG1 4.36Å; P133-V186 HydrophobicContact CG-CG1 3.98Å; Q134-V186 PolarHBondContact NE2-O 3.42Å; W184-V186 PolarHBondContact O-N 3.43Å; V186-L236 HydrophobicContact CG1-CD2 4.03Å; V186-L236 HydrophobicContact CG2-CD2 4.2Å; V186-L236 WeakPolarHBondContact CG2-O 3.41Å
187S96.9Very high98.6Very high67 Ų6729.4 Ų29.447%0.46915%0.151SC..SBendtrans-93.8-36.3-177.1-650000113.3N185N185-S187 WeakPolarHBondContact OD1-CA 3.45Å; N185-S187 WeakPolarHBondContact OD1-CB 3.41Å; N185-S187 PolarHBondContact OD1-N 3.21Å
188L98Very high98.6Very high51 Ų5125.2 Ų25.227%0.26713%0.134SC..SBendtrans-108.1107.7-178.5-61.1178.6000110.1N185 G190 H191 G239N185-L188 HydrophobicContact CB-CB 4.29Å; N185-L188 PolarHBondContact OD1-N 2.84Å; L188-G190 PolarHBondContact O-N 3.1Å; L188-H191 HydrophobicContact CB-CB 4.07Å; L188-H191 PolarHBondContact O-N 3.25Å; L188-G239 WeakPolarHBondContact CD1-O 3.28Å
189N98Very high98.6Very high79 Ų7926.7 Ų26.742%0.42214%0.141SC..THydrogen-bonded Turntrans-54.1132.4178.7-175.4-22.2000110.9Q134 H191 N207Q134-N189 HydrophobicContact CG-CB 4.27Å; N189-H191 PolarHBondContact O-N 3.26Å; N189-H191 PolarHBondContact O-ND1 2.83Å; N189-N207 PolarHBondContact O-ND2 2.87Å; N189-N207 PolarHBondContact OD1-ND2 2.77Å
190G98.3Very high98.6Very high0 Ų027.8 Ų27.80%015%0.147CC..THydrogen-bonded Turntrans76.8-2.2174.400000115.8L188 L192 D205 V206 N207L188-G190 PolarHBondContact O-N 3.1Å; G190-L192 PolarHBondContact O-N 3.19Å; G190-D205 WeakPolarHBondContact O-CA 3.22Å; G190-V206 PolarHBondContact O-N 2.96Å; G190-N207 WeakPolarHBondContact CA-ND2 3.26Å
191H98.8Very high98.6Very high36 Ų3624.1 Ų24.117%0.16713%0.133CC..EExtended strand (participates in β ladder)trans-80.4120.5176.7-74.153.3000110.4N185 L188 N189 L203 W204 D205 W234N185-H191 HydrophobicContact CB-CB 3.71Å; N185-H191 WeakPolarHBondContact CB-O 3.47Å; N185-H191 PolarHBondContact N-O 3.35Å; L188-H191 HydrophobicContact CB-CB 4.07Å; L188-H191 PolarHBondContact O-N 3.25Å; N189-H191 PolarHBondContact O-N 3.26Å; N189-H191 PolarHBondContact O-ND1 2.83Å; H191-L203 HydrophobicContact CB-CD1 4.41Å; H191-W204 WeakPolarHBondContact CA-O 3.28Å; H191-D205 IonicContact CE1-OD2 3.78Å; H191-W234 HydrophobicContact CB-CZ2 4.34Å
192L98.9Very high98.6Very high0 Ų024.1 Ų24.10%013%0.133CC..EExtended strand (participates in β ladder)trans-125.8130.1-176.3179.661.5000110.3A140 V148 I150 L172 L182 S183 W184 G190 L203 W204A140-L192 HydrophobicContact CB-CD1 4.25Å; A140-L192 HydrophobicContact CB-CD2 3.53Å; V148-L192 HydrophobicContact CG1-CD2 4.11Å; I150-L192 HydrophobicContact CD1-CD2 3.94Å; L172-L192 HydrophobicContact CD1-CD2 3.69Å; L182-L192 HydrophobicContact CD1-CD1 3.75Å; L182-L192 HydrophobicContact CD1-CD2 4.14Å; L182-L192 HydrophobicContact CD1-CG 4.15Å; L182-L192 HydrophobicContact CG-CD1 4.07Å; S183-L192 WeakPolarHBondContact O-CD1 3.33Å; W184-L192 HydrophobicContact CD2-CB 4.32Å; W184-L192 HydrophobicContact CD2-CD1 3.7Å; W184-L192 HydrophobicContact CD2-CG 4.47Å; W184-L192 HydrophobicContact CE3-CB 3.82Å; W184-L192 HydrophobicContact CE3-CD1 4.1Å; W184-L192 HydrophobicContact CE3-CG 4.44Å; W184-L192 HydrophobicContact CG-CD1 3.95Å; W184-L192 HydrophobicContact CH2-CB 4.24Å; W184-L192 HydrophobicContact CH2-CD2 4.08Å; W184-L192 HydrophobicContact CZ2-CD1 4.35Å; W184-L192 HydrophobicContact CZ2-CD2 4.06Å; W184-L192 HydrophobicContact CZ3-CB 3.76Å; W184-L192 HydrophobicContact CZ3-CD2 4.43Å; W184-L192 HydrophobicContact CZ3-CG 4.48Å; G190-L192 PolarHBondContact O-N 3.19Å; L192-L203 WeakPolarHBondContact O-CA 3.48Å; L192-L203 WeakPolarHBondContact O-CD1 3.44Å; L192-W204 PolarHBondContact N-O 3.19Å; L192-W204 PolarHBondContact O-N 3.34Å; L192-W204 VanDerWaalsContact O-N 3.08Å
193L99Very high98.6Very high0 Ų024.1 Ų24.10%013%0.133CC..EExtended strand (participates in β ladder)trans-100.8147.9168.7-71.6169.1000110.7L182 S183 I201 C202 L203 F222 V232 W234 F242L182-L193 WeakPolarHBondContact CA-O 3.21Å; S183-L193 PolarHBondContact N-O 3.28Å; S183-L193 PolarHBondContact O-N 3.2Å; L193-I201 HydrophobicContact CD2-CG2 3.86Å; L193-C202 WeakPolarHBondContact CA-O 3.34Å; L193-L203 HydrophobicContact CD2-CB 3.95Å; L193-L203 HydrophobicContact CD2-CD1 4.03Å; L193-L203 HydrophobicContact CD2-CG 4.48Å; L193-L203 HydrophobicContact CG-CD1 4.41Å; L193-F222 HydrophobicContact CD2-CE2 4.47Å; L193-V232 HydrophobicContact CB-CB 4.29Å; L193-V232 HydrophobicContact CB-CG2 3.89Å; L193-W234 HydrophobicContact CD1-CD2 3.59Å; L193-W234 HydrophobicContact CD1-CE3 4.19Å; L193-W234 HydrophobicContact CD1-CG 3.99Å; L193-W234 HydrophobicContact CD1-CH2 4.21Å; L193-W234 HydrophobicContact CD1-CZ2 3.63Å; L193-W234 HydrophobicContact CD1-CZ3 4.45Å; L193-W234 HydrophobicContact CD2-CZ2 4.06Å; L193-W234 HydrophobicContact CG-CD2 4.29Å; L193-W234 VanDerWaalsContact CG-CE2 3.43Å; L193-W234 HydrophobicContact CG-CH2 4.39Å; L193-W234 HydrophobicContact CG-CZ2 3.52Å; L193-F242 HydrophobicContact CD1-CB 3.5Å; L193-F242 VanDerWaalsContact CD1-CB 3.5Å; L193-F242 HydrophobicContact CD1-CD1 3.89Å; L193-F242 HydrophobicContact CD1-CD2 3.59Å; L193-F242 HydrophobicContact CD1-CE1 4.47Å; L193-F242 HydrophobicContact CD1-CE2 4.22Å; L193-F242 HydrophobicContact CD1-CG 3.4Å; L193-F242 HydrophobicContact CD2-CE1 4.38Å; L193-F242 HydrophobicContact CD2-CE2 4.39Å; L193-F242 HydrophobicContact CD2-CZ 4.3Å
194S99Very high98.6Very high0 Ų023.4 Ų23.40%013%0.128CC..EExtended strand (participates in β ladder)trans-138.7138.4173.6165.70000110.5K142 H175 G181 I201 C202K142-S194 PolarHBondContact NZ-OG 3.01Å; H175-S194 PolarHBondContact CD2-OG 3.38Å; H175-S194 VanDerWaalsContact CD2-OG 3.25Å; H175-S194 WeakPolarHBondContact NE2-CB 3.31Å; H175-S194 PolarHBondContact NE2-O 2.8Å; H175-S194 PolarHBondContact NE2-OG 3Å; G181-S194 CarbonylContact O-C 3.55Å; G181-S194 VanDerWaalsContact O-CA 3.31Å; G181-S194 WeakPolarHBondContact O-CA 3.47Å; S194-I201 CarbonylContact O-C 3.46Å; S194-I201 VanDerWaalsContact O-CA 3.24Å; S194-I201 WeakPolarHBondContact O-CA 3.25Å; S194-C202 PolarHBondContact N-O 2.85Å; S194-C202 PolarHBondContact O-N 3.07Å
195A98.9Very high98.6Very high0 Ų024.7 Ų24.70%014%0.136CC..EExtended strand (participates in β ladder)trans-102.8155.3172.400000111.1K142 G181 V229 V232K142-A195 WeakPolarHBondContact CE-O 3.49Å; K142-A195 PolarHBondContact NZ-O 2.87Å; G181-A195 PolarHBondContact O-N 3.29Å; A195-V229 HydrophobicContact CB-CB 3.97Å; A195-V229 HydrophobicContact CB-CG1 3.75Å; A195-V229 WeakPolarHBondContact CB-O 3.41Å; A195-V232 HydrophobicContact CB-CB 4.46Å; A195-V232 HydrophobicContact CB-CG1 3.81Å; A195-V232 HydrophobicContact CB-CG2 4.06Å
196S98.9Very high98.5Very high0 Ų025 Ų250%014%0.137CC..  trans-154.3155-176.3176.30000114.2H175 K177 E178 D198 Q199 T200 V229H175-S196 WeakPolarHBondContact CE1-CB 3.47Å; H175-S196 WeakPolarHBondContact ND1-CB 3.42Å; K177-S196 PolarHBondContact O-OG 2.85Å; E178-S196 VanDerWaalsContact O-CA 3.28Å; E178-S196 WeakPolarHBondContact O-CA 3.45Å; E178-S196 VanDerWaalsContact O-CB 3.29Å; E178-S196 WeakPolarHBondContact O-CB 3.34Å; E178-S196 PolarHBondContact O-OG 3.07Å; S196-D198 VanDerWaalsContact CB-OD1 3.29Å; S196-D198 WeakPolarHBondContact CB-OD1 3.27Å; S196-D198 PolarHBondContact O-N 3.39Å; S196-D198 VanDerWaalsContact OG-CG 3.22Å; S196-D198 PolarHBondContact OG-N 3.11Å; S196-D198 VanDerWaalsContact OG-N 3.14Å; S196-D198 PolarHBondContact OG-OD1 2.86Å; S196-Q199 PolarHBondContact O-N 2.7Å; S196-T200 PolarHBondContact N-O 2.88Å; S196-V229 PolarHBondContact N-O 2.7Å; S196-V229 PolarHBondContact O-N 3.15Å; S196-V229 VanDerWaalsContact O-N 3.09Å
197D98.8Very high98.5Very high39 Ų3926.8 Ų26.821%0.20915%0.145CC..THydrogen-bonded Turntrans-61.5-13.1169.3-59.727.8000114K177 E178 Q199 V228K177-D197 HydrophobicContact CB-CB 3.95Å; K177-D197 HydrophobicContact CD-CB 3.89Å; E178-D197 PolarHBondContact O-N 3.19Å; D197-Q199 PolarHBondContact O-N 2.78Å; D197-V228 HydrophobicContact CB-CG1 4.25Å; D197-V228 HydrophobicContact CB-CG2 4.16Å
198D98.7Very high98.5Very high30 Ų3027.1 Ų27.116%0.1615%0.152CC..THydrogen-bonded Turntrans-77.96.317072.912.8000113.7H175 Q176 K177 S196 T200H175-D198 WeakPolarHBondContact CA-OD2 3.31Å; H175-D198 WeakPolarHBondContact CB-OD2 3.44Å; H175-D198 IonicContact CG-OD2 2.74Å; H175-D198 IonicContact ND1-OD1 2.74Å; H175-D198 PolarHBondContact ND1-OD1 2.95Å; H175-D198 IonicContact ND1-OD2 2.66Å; H175-D198 PolarHBondContact ND1-OD2 3.16Å; Q176-D198 HydrophobicContact CB-CB 4.22Å; Q176-D198 PolarHBondContact N-OD2 2.88Å; K177-D198 HydrophobicContact CB-CB 4.2Å; K177-D198 HydrophobicContact CG-CB 4.28Å; S196-D198 VanDerWaalsContact CB-OD1 3.29Å; S196-D198 WeakPolarHBondContact CB-OD1 3.27Å; S196-D198 PolarHBondContact O-N 3.39Å; S196-D198 VanDerWaalsContact OG-CG 3.22Å; S196-D198 PolarHBondContact OG-N 3.11Å; S196-D198 VanDerWaalsContact OG-N 3.14Å; S196-D198 PolarHBondContact OG-OD1 2.86Å; D198-T200 VanDerWaalsContact CG-OG1 3.32Å; D198-T200 PolarHBondContact O-N 2.95Å; D198-T200 WeakPolarHBondContact OD1-CA 3.32Å; D198-T200 VanDerWaalsContact OD1-CB 3.28Å; D198-T200 WeakPolarHBondContact OD1-CB 3.31Å; D198-T200 PolarHBondContact OD1-N 3.25Å; D198-T200 PolarHBondContact OD1-OG1 3.28Å; D198-T200 PolarHBondContact OD2-OG1 2.97Å
199Q98.8Very high98.4Very high86 Ų8625.5 Ų25.540%0.40215%0.146SC..SBendtrans72.311.6177.7-41-179.4-4.100113.9S196 D197 S227S196-Q199 PolarHBondContact O-N 2.7Å; D197-Q199 PolarHBondContact O-N 2.78Å; Q199-S227 WeakPolarHBondContact CA-O 3.31Å; Q199-S227 VanDerWaalsContact CB-O 3.3Å; Q199-S227 WeakPolarHBondContact CB-O 3.43Å; Q199-S227 WeakPolarHBondContact CG-O 3.47Å
200T98.9Very high98.2Very high22 Ų2225.5 Ų25.514%0.13515%0.15CC..  trans-114.1160.9-17776.70000112.7H175 S196 D198 I221 F222 T223H175-T200 PolarHBondContact CE1-O 2.85Å; H175-T200 PolarHBondContact CE1-OG1 3.43Å; H175-T200 PolarHBondContact ND1-OG1 2.98Å; H175-T200 VanDerWaalsContact ND1-OG1 3.13Å; S196-T200 PolarHBondContact N-O 2.88Å; D198-T200 VanDerWaalsContact CG-OG1 3.32Å; D198-T200 PolarHBondContact O-N 2.95Å; D198-T200 WeakPolarHBondContact OD1-CA 3.32Å; D198-T200 VanDerWaalsContact OD1-CB 3.28Å; D198-T200 WeakPolarHBondContact OD1-CB 3.31Å; D198-T200 PolarHBondContact OD1-N 3.25Å; D198-T200 PolarHBondContact OD1-OG1 3.28Å; D198-T200 PolarHBondContact OD2-OG1 2.97Å; T200-I221 HydrophobicContact CG2-CG2 4.08Å; T200-F222 WeakPolarHBondContact CA-O 3.43Å; T200-T223 HydrophobicContact CG2-CG2 3.97Å
201I98.9Very high98Very high2 Ų227.6 Ų27.61%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-118.1123.1169.1-58.6156.7000107.1L193 S194 I221 F222 V229 V232 F242 S244 W254L193-I201 HydrophobicContact CD2-CG2 3.86Å; S194-I201 CarbonylContact O-C 3.46Å; S194-I201 VanDerWaalsContact O-CA 3.24Å; S194-I201 WeakPolarHBondContact O-CA 3.25Å; I201-I221 CarbonylContact O-C 3.6Å; I201-I221 WeakPolarHBondContact O-CA 3.4Å; I201-F222 HydrophobicContact CB-CB 4.18Å; I201-F222 HydrophobicContact CB-CD2 4.25Å; I201-F222 HydrophobicContact CG2-CD2 4.19Å; I201-F222 PolarHBondContact N-O 3.37Å; I201-F222 WeakPolarHBondContact O-CD2 3.43Å; I201-F222 PolarHBondContact O-N 3.42Å; I201-V229 HydrophobicContact CD1-CG1 4.14Å; I201-V229 HydrophobicContact CG1-CB 4.47Å; I201-V229 HydrophobicContact CG1-CG1 3.86Å; I201-V229 HydrophobicContact CG1-CG2 4.37Å; I201-V232 HydrophobicContact CB-CG1 4.37Å; I201-V232 HydrophobicContact CD1-CG1 3.96Å; I201-V232 HydrophobicContact CG1-CG1 3.76Å; I201-V232 HydrophobicContact CG2-CG1 3.75Å; I201-F242 HydrophobicContact CD1-CE2 4.17Å; I201-F242 HydrophobicContact CG2-CE2 4.14Å; I201-S244 WeakPolarHBondContact CD1-OG 3.15Å; I201-W254 HydrophobicContact CD1-CZ2 4.43Å
202C98.9Very high97.8Very high0 Ų031.4 Ų31.40%018%0.183CC..EExtended strand (participates in β ladder)trans-100.4145.4175.5-74.50000110.9H175 L193 S194 W204 A218H175-C202 VanDerWaalsContact CE1-SG 3.57Å; L193-C202 WeakPolarHBondContact CA-O 3.34Å; S194-C202 PolarHBondContact N-O 2.85Å; S194-C202 PolarHBondContact O-N 3.07Å; C202-W204 HydrophobicContact CB-CD2 4.49Å; C202-W204 HydrophobicContact CB-CE3 4.22Å; C202-W204 HydrophobicContact CB-CH2 3.11Å; C202-W204 HydrophobicContact CB-CZ2 3.39Å; C202-W204 HydrophobicContact CB-CZ3 3.56Å; C202-A218 HydrophobicContact CB-CB 4.09Å
203L98.9Very high97.6Very high8 Ų833.2 Ų33.24%0.04220%0.201CC..EExtended strand (participates in β ladder)trans-121.8133.6173.1173.159.7000109.2H191 L192 L193 A218 M219 A220 F222 W234 T256H191-L203 HydrophobicContact CB-CD1 4.41Å; L192-L203 WeakPolarHBondContact O-CA 3.48Å; L192-L203 WeakPolarHBondContact O-CD1 3.44Å; L193-L203 HydrophobicContact CD2-CB 3.95Å; L193-L203 HydrophobicContact CD2-CD1 4.03Å; L193-L203 HydrophobicContact CD2-CG 4.48Å; L193-L203 HydrophobicContact CG-CD1 4.41Å; L203-A218 CarbonylContact O-C 3.55Å; L203-M219 HydrophobicContact CB-CG 4.43Å; L203-M219 HydrophobicContact CD2-CG 4.27Å; L203-M219 HydrophobicContact CD2-SD 4.29Å; L203-M219 HydrophobicContact CG-CG 3.91Å; L203-M219 HydrophobicContact CG-SD 4.04Å; L203-M219 WeakPolarHBondContact O-CG 3.46Å; L203-M219 PolarHBondContact O-N 3.41Å; L203-A220 HydrophobicContact CB-CB 4.2Å; L203-A220 HydrophobicContact CD2-CB 4.35Å; L203-A220 PolarHBondContact N-O 3.18Å; L203-A220 PolarHBondContact O-N 3.01Å; L203-F222 HydrophobicContact CB-CE2 4.06Å; L203-F222 HydrophobicContact CD2-CE2 4.44Å; L203-W234 HydrophobicContact CD1-CH2 4.26Å; L203-W234 HydrophobicContact CD1-CZ2 3.68Å; L203-T256 HydrophobicContact CD2-CG2 4.03Å
204W98.8Very high97.4Very high1 Ų135.1 Ų35.10%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-127.1152.6169.3-55.6-100.3000110.5V148 L172 K173 H175 H191 L192 C202 L216 A218V148-W204 HydrophobicContact CB-CH2 4.45Å; V148-W204 HydrophobicContact CG2-CH2 3.85Å; V148-W204 HydrophobicContact CG2-CZ3 4.3Å; L172-W204 HydrophobicContact CB-CD2 3.97Å; L172-W204 HydrophobicContact CB-CG 4.17Å; L172-W204 HydrophobicContact CB-CZ2 4.02Å; L172-W204 HydrophobicContact CD1-CB 4.2Å; L172-W204 HydrophobicContact CD1-CD2 3.89Å; L172-W204 HydrophobicContact CD1-CE3 4.01Å; L172-W204 HydrophobicContact CD1-CG 3.97Å; L172-W204 HydrophobicContact CD2-CB 4.31Å; L172-W204 HydrophobicContact CD2-CG 4.09Å; L172-W204 HydrophobicContact CG-CD2 4.41Å; L172-W204 HydrophobicContact CG-CG 4.32Å; K173-W204 PolarHBondContact O-NE1 3.15Å; H175-W204 AromaticContact CD2-CH2 3.89Å; H175-W204 AromaticContact NE2-CH2 3.98Å; H191-W204 WeakPolarHBondContact CA-O 3.28Å; L192-W204 PolarHBondContact N-O 3.19Å; L192-W204 PolarHBondContact O-N 3.34Å; L192-W204 VanDerWaalsContact O-N 3.08Å; C202-W204 HydrophobicContact CB-CD2 4.49Å; C202-W204 HydrophobicContact CB-CE3 4.22Å; C202-W204 HydrophobicContact CB-CH2 3.11Å; C202-W204 HydrophobicContact CB-CZ2 3.39Å; C202-W204 HydrophobicContact CB-CZ3 3.56Å; W204-L216 HydrophobicContact CB-CD2 4.5Å; W204-L216 PolarHBondContact NE1-O 3.26Å; W204-A218 VanDerWaalsContact CD1-CA 3.41Å; W204-A218 HydrophobicContact CZ2-CB 4.28Å; W204-A218 VanDerWaalsContact NE1-N 3.16Å
205D98.3Very high97.4Very high40 Ų4039.8 Ų39.821%0.21424%0.239CC..EExtended strand (participates in β ladder)trans-105103.2157.5176.66.3000107.4G190 H191 N207 A208 L216 M219G190-D205 WeakPolarHBondContact O-CA 3.22Å; H191-D205 IonicContact CE1-OD2 3.78Å; D205-N207 PolarHBondContact O-N 3.15Å; D205-N207 VanDerWaalsContact O-N 3.12Å; D205-N207 WeakPolarHBondContact OD1-CB 3.23Å; D205-N207 PolarHBondContact OD1-N 2.81Å; D205-A208 WeakPolarHBondContact O-CB 3.4Å; D205-A208 PolarHBondContact O-N 2.9Å; D205-L216 WeakPolarHBondContact O-CD2 3.42Å; D205-M219 HydrophobicContact CB-CE 4.33Å; D205-M219 HydrophobicContact CB-SD 3.89Å
206V97.9Very high97.4Very high6 Ų641.1 Ų41.14%0.03625%0.246CC..G310 helixtrans-66.6-15-175.7-52.60000112.8I150 L170 L172 W184 G190 A208I150-V206 HydrophobicContact CD1-CG1 4.14Å; I150-V206 HydrophobicContact CG1-CG1 4.21Å; L170-V206 HydrophobicContact CD2-CB 3.99Å; L170-V206 HydrophobicContact CD2-CG1 4.4Å; L172-V206 HydrophobicContact CD1-CG1 4.07Å; L172-V206 HydrophobicContact CD2-CG1 4.27Å; W184-V206 HydrophobicContact CH2-CB 4.46Å; W184-V206 HydrophobicContact CH2-CG1 3.78Å; W184-V206 HydrophobicContact CH2-CG2 3.88Å; W184-V206 HydrophobicContact CZ3-CG1 3.99Å; W184-V206 HydrophobicContact CZ3-CG2 3.89Å; G190-V206 PolarHBondContact O-N 2.96Å; V206-A208 PolarHBondContact O-N 3.1Å
207N96.9Very high97.3Very high95 Ų9547 Ų4751%0.50828%0.278SS..G310 helixtrans-77.9-8.5174.4-62.2-57.3000112.7N189 G190 D205 A209N189-N207 PolarHBondContact O-ND2 2.87Å; N189-N207 PolarHBondContact OD1-ND2 2.77Å; G190-N207 WeakPolarHBondContact CA-ND2 3.26Å; D205-N207 PolarHBondContact O-N 3.15Å; D205-N207 VanDerWaalsContact O-N 3.12Å; D205-N207 WeakPolarHBondContact OD1-CB 3.23Å; D205-N207 PolarHBondContact OD1-N 2.81Å; N207-A209 PolarHBondContact O-N 2.83Å
208A96.8Very high97.3Very high74 Ų7446.3 Ų46.361%0.61228%0.278SS*.G310 helixtrans-71.5-11.9176.500000113.3D205 V206 L216D205-A208 WeakPolarHBondContact O-CB 3.4Å; D205-A208 PolarHBondContact O-N 2.9Å; V206-A208 PolarHBondContact O-N 3.1Å; A208-L216 HydrophobicContact CB-CD1 4.27Å; A208-L216 HydrophobicContact CB-CD2 4.47Å
209A95.1Very high97.3Very high18 Ų1849.5 Ų49.515%0.14929%0.293CS..SBendtrans-134.3151179.100000111.6L170 N207 L216L170-A209 HydrophobicContact CD1-CB 3.66Å; L170-A209 HydrophobicContact CD2-CB 4.47Å; N207-A209 PolarHBondContact O-N 2.83Å; A209-L216 HydrophobicContact CB-CB 4.29Å; A209-L216 HydrophobicContact CB-CD1 4.21Å; A209-L216 HydrophobicContact CB-CD2 4.24Å; A209-L216 HydrophobicContact CB-CG 4.48Å
210P94.5Very high97.2Very high79 Ų7945.7 Ų45.751%0.51328%0.276SS..  trans-67.5149.417130.2-34.3000111.2D212P210-D212 VanDerWaalsContact C-N 3.26Å; P210-D212 WeakPolarHBondContact CG-OD2 3.2Å; P210-D212 PolarHBondContact O-N 3.07Å
211L94.7Very high97.2Very high44 Ų4447.8 Ų47.823%0.2329%0.285CS..SBendtrans-82.369.5172.3-66.7-176.4000110.4I138 I150 N152 R155 D169 L170I138-L211 HydrophobicContact CD1-CD1 3.65Å; I150-L211 HydrophobicContact CG2-CD2 4.16Å; N152-L211 HydrophobicContact CB-CD1 4.42Å; R155-L211 PolarHBondContact NH1-O 2.62Å; R155-L211 VanDerWaalsContact NH1-O 3.16Å; D169-L211 HydrophobicContact CB-CB 4.13Å; D169-L211 HydrophobicContact CB-CD2 4.28Å; D169-L211 CarbonylContact O-C 3.49Å; D169-L211 VanDerWaalsContact O-C 3.23Å; D169-L211 VanDerWaalsContact O-CA 3.25Å; D169-L211 WeakPolarHBondContact O-CA 3.36Å; L170-L211 HydrophobicContact CB-CD2 3.9Å; L170-L211 HydrophobicContact CD2-CD2 4.41Å
212D94.6Very high97.2Very high115 Ų11548 Ų4862%0.61529%0.286SS*.SBendtrans-128.315.5-178.968.34.6000114.2D169 P210 C214D169-D212 PolarHBondContact O-N 3.41Å; D169-D212 VanDerWaalsContact O-N 3.12Å; P210-D212 VanDerWaalsContact C-N 3.26Å; P210-D212 WeakPolarHBondContact CG-OD2 3.2Å; P210-D212 PolarHBondContact O-N 3.07Å; D212-C214 WeakPolarHBondContact OD1-CB 3.38Å; D212-C214 PolarHBondContact OD1-N 2.91Å
213G93.8Very high97.2Very high38 Ų3851 Ų5139%0.39231%0.305SS..SBendtrans87.213.4177.400000114.7P168 D169P168-G213 WeakPolarHBondContact O-CA 3.17Å; D169-G213 WeakPolarHBondContact O-CA 3.43Å; D169-G213 PolarHBondContact O-N 3.46Å
214C96.2Very high97.2Very high41 Ų4150.8 Ų50.828%0.27731%0.305SS..  trans-74.3167.7175.372.40000113.4L170 R171 D212L170-C214 WeakPolarHBondContact CD1-O 3.35Å; L170-C214 WeakPolarHBondContact CD1-SG 3.4Å; R171-C214 PolarHBondContact N-O 3.05Å; D212-C214 WeakPolarHBondContact OD1-CB 3.38Å; D212-C214 PolarHBondContact OD1-N 2.91Å
215D97.7Very high97.2Very high97 Ų9751 Ų5152%0.51931%0.306SS..EExtended strand (participates in β ladder)trans-88.4142172.1-70.94.9000110.5R171 K173R171-D215 WeakPolarHBondContact CB-OD1 3.19Å; R171-D215 WeakPolarHBondContact CD-OD1 3.25Å; R171-D215 CarbonylContact O-C 3.51Å; R171-D215 VanDerWaalsContact O-CA 3.29Å; R171-D215 WeakPolarHBondContact O-CA 3.38Å; K173-D215 WeakPolarHBondContact CE-OD2 3.34Å; K173-D215 HydrophobicContact CG-CB 4.23Å
216L98.5Very high97.2Very high28 Ų2855.8 Ų55.815%0.14733%0.327CS..EExtended strand (participates in β ladder)trans-130.3118.8173176.464.8000110.4L170 R171 L172 K173 W204 D205 A208 A209L170-L216 HydrophobicContact CD1-CB 4.16Å; L170-L216 HydrophobicContact CD2-CB 4.3Å; L170-L216 HydrophobicContact CD2-CD2 3.96Å; L170-L216 HydrophobicContact CG-CB 4.32Å; R171-L216 PolarHBondContact O-N 3.36Å; L172-L216 WeakPolarHBondContact CA-O 3.34Å; L172-L216 HydrophobicContact CD2-CB 3.94Å; L172-L216 HydrophobicContact CD2-CD2 3.89Å; L172-L216 HydrophobicContact CD2-CG 4.27Å; K173-L216 PolarHBondContact N-O 3.07Å; W204-L216 HydrophobicContact CB-CD2 4.5Å; W204-L216 PolarHBondContact NE1-O 3.26Å; D205-L216 WeakPolarHBondContact O-CD2 3.42Å; A208-L216 HydrophobicContact CB-CD1 4.27Å; A208-L216 HydrophobicContact CB-CD2 4.47Å; A209-L216 HydrophobicContact CB-CB 4.29Å; A209-L216 HydrophobicContact CB-CD1 4.21Å; A209-L216 HydrophobicContact CB-CD2 4.24Å; A209-L216 HydrophobicContact CB-CG 4.48Å
217D98.5Very high97.2Very high125 Ų12557.2 Ų57.267%0.66834%0.337SS*.EExtended strand (participates in β ladder)trans-73.3151.3176.3-68.2-45.1000112.4K173 M219K173-D217 CarbonylContact O-C 3.52Å; D217-M219 PolarHBondContact O-N 3.15Å
218A98.5Very high97.3Very high24 Ų2454 Ų5420%0.19832%0.321CS..  trans-58.8129.6176.200000111.7K173 C202 L203 W204 A220 I221K173-A218 PolarHBondContact O-N 3.22Å; C202-A218 HydrophobicContact CB-CB 4.09Å; L203-A218 CarbonylContact O-C 3.55Å; W204-A218 VanDerWaalsContact CD1-CA 3.41Å; W204-A218 HydrophobicContact CZ2-CB 4.28Å; W204-A218 VanDerWaalsContact NE1-N 3.16Å; A218-A220 VanDerWaalsContact C-N 3.32Å; A218-I221 HydrophobicContact CB-CD1 4.35Å; A218-I221 HydrophobicContact CB-CG1 3.9Å
219M97.7Very high97.4Very high96 Ų9650.5 Ų50.547%0.47329%0.292SS..SBendtrans-76.7-24.417779.7-175.9-48.900112.2L203 D205 D217 R261L203-M219 HydrophobicContact CB-CG 4.43Å; L203-M219 HydrophobicContact CD2-CG 4.27Å; L203-M219 HydrophobicContact CD2-SD 4.29Å; L203-M219 HydrophobicContact CG-CG 3.91Å; L203-M219 HydrophobicContact CG-SD 4.04Å; L203-M219 WeakPolarHBondContact O-CG 3.46Å; L203-M219 PolarHBondContact O-N 3.41Å; D205-M219 HydrophobicContact CB-CE 4.33Å; D205-M219 HydrophobicContact CB-SD 3.89Å; D217-M219 PolarHBondContact O-N 3.15Å; M219-R261 PolarHBondContact O-NH2 2.84Å
220A98.2Very high97.6Very high6 Ų651 Ų515%0.0529%0.291CS..EExtended strand (participates in β ladder)trans-148.3146.917000000110.8L203 A218 F222L203-A220 HydrophobicContact CB-CB 4.2Å; L203-A220 HydrophobicContact CD2-CB 4.35Å; L203-A220 PolarHBondContact N-O 3.18Å; L203-A220 PolarHBondContact O-N 3.01Å; A218-A220 VanDerWaalsContact C-N 3.32Å; A220-F222 HydrophobicContact CB-CE2 4.02Å; A220-F222 HydrophobicContact CB-CZ 4.14Å
221I98.7Very high97.8Very high66 Ų6647.7 Ų47.734%0.33827%0.269SS..EExtended strand (participates in β ladder)trans-127.1124.7173.1-54.6-179.7000106.7T200 I201 A218 T223 R261T200-I221 HydrophobicContact CG2-CG2 4.08Å; I201-I221 CarbonylContact O-C 3.6Å; I201-I221 WeakPolarHBondContact O-CA 3.4Å; A218-I221 HydrophobicContact CB-CD1 4.35Å; A218-I221 HydrophobicContact CB-CG1 3.9Å; I221-T223 HydrophobicContact CG2-CG2 3.99Å; I221-R261 WeakPolarHBondContact O-CB 3.43Å
222F98.8Very high98Very high6 Ų645.7 Ų45.73%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-102.9132.4177.5-50.8-99.2000109.6L193 T200 I201 L203 A220 F242 W254 T256 R261L193-F222 HydrophobicContact CD2-CE2 4.47Å; T200-F222 WeakPolarHBondContact CA-O 3.43Å; I201-F222 HydrophobicContact CB-CB 4.18Å; I201-F222 HydrophobicContact CB-CD2 4.25Å; I201-F222 HydrophobicContact CG2-CD2 4.19Å; I201-F222 PolarHBondContact N-O 3.37Å; I201-F222 WeakPolarHBondContact O-CD2 3.43Å; I201-F222 PolarHBondContact O-N 3.42Å; L203-F222 HydrophobicContact CB-CE2 4.06Å; L203-F222 HydrophobicContact CD2-CE2 4.44Å; A220-F222 HydrophobicContact CB-CE2 4.02Å; A220-F222 HydrophobicContact CB-CZ 4.14Å; F222-F242 HydrophobicContact CD1-CZ 4.03Å; F222-F242 AromaticContact CD2-CZ 3.84Å; F222-F242 HydrophobicContact CD2-CZ 3.84Å; F222-F242 HydrophobicContact CE1-CE1 4.04Å; F222-F242 AromaticContact CE1-CZ 3.96Å; F222-F242 HydrophobicContact CE1-CZ 3.96Å; F222-F242 HydrophobicContact CE2-CE1 4.05Å; F222-F242 AromaticContact CE2-CZ 3.78Å; F222-F242 HydrophobicContact CE2-CZ 3.78Å; F222-F242 AromaticContact CG-CZ 3.98Å; F222-F242 HydrophobicContact CG-CZ 3.98Å; F222-F242 AromaticContact CZ-CE1 3.78Å; F222-F242 HydrophobicContact CZ-CE1 3.78Å; F222-F242 AromaticContact CZ-CZ 3.85Å; F222-F242 HydrophobicContact CZ-CZ 3.85Å; F222-W254 HydrophobicContact CB-CE3 4.33Å; F222-W254 HydrophobicContact CB-CH2 4.1Å; F222-W254 HydrophobicContact CB-CZ2 4.46Å; F222-W254 HydrophobicContact CB-CZ3 4.05Å; F222-W254 HydrophobicContact CD1-CD2 4.34Å; F222-W254 AromaticContact CD1-CE3 3.71Å; F222-W254 HydrophobicContact CD1-CE3 3.71Å; F222-W254 AromaticContact CD1-CZ3 4Å; F222-W254 HydrophobicContact CD1-CZ3 4Å; F222-W254 HydrophobicContact CE1-CE3 4.5Å; F222-W254 HydrophobicContact CG-CE3 4.37Å; F222-W254 HydrophobicContact CG-CZ3 4.49Å; F222-T256 HydrophobicContact CZ-CG2 4.15Å; F222-R261 CarbonylContact C-O 3.23Å; F222-R261 WeakPolarHBondContact CA-O 3.06Å; F222-R261 HydrophobicContact CD1-CB 4.07Å; F222-R261 HydrophobicContact CD1-CG 4.28Å; F222-R261 HydrophobicContact CE1-CG 4.27Å
223T98.6Very high98.2Very high63 Ų6341.2 Ų41.239%0.38724%0.237SC..  trans-134.444.9-168.266.90000111.1T200 I221 R261 T262T200-T223 HydrophobicContact CG2-CG2 3.97Å; I221-T223 HydrophobicContact CG2-CG2 3.99Å; T223-R261 PolarHBondContact N-O 2.88Å; T223-T262 VanDerWaalsContact OG1-CG2 3.3Å; T223-T262 WeakPolarHBondContact OG1-CG2 3.27Å
224G98.5Very high98.4Very high5 Ų539.5 Ų39.55%0.05222%0.218CC..  trans-93.2-26.8-179.800000114.5H226 M252 T262G224-H226 PolarHBondContact O-CE1 2.7Å; G224-H226 PolarHBondContact O-ND1 2.62Å; G224-M252 WeakPolarHBondContact O-CE 3.49Å; G224-T262 WeakPolarHBondContact CA-O 3.4Å
225H98.7Very high98.6Very high6 Ų637.7 Ų37.73%0.02821%0.206CC..  trans-71.6154.2173-76.9-72.5000110.8V229 S244 A246 D248H225-V229 HydrophobicContact CB-CG2 3.73Å; H225-S244 PolarHBondContact CD2-OG 3.13Å; H225-S244 PolarHBondContact NE2-OG 3.03Å; H225-A246 HydrophobicContact CB-CB 4.28Å; H225-A246 VanDerWaalsContact CE1-CB 3.44Å; H225-A246 WeakPolarHBondContact CE1-CB 3.48Å; H225-A246 WeakPolarHBondContact ND1-CB 3.34Å; H225-D248 VanDerWaalsContact CA-OD2 3.32Å; H225-D248 WeakPolarHBondContact CA-OD2 3.15Å; H225-D248 IonicContact CE1-OD1 3.43Å; H225-D248 IonicContact CG-OD2 2.7Å; H225-D248 IonicContact ND1-OD1 3.9Å; H225-D248 PolarHBondContact ND1-OD1 3.45Å; H225-D248 IonicContact ND1-OD2 2.62Å; H225-D248 PolarHBondContact ND1-OD2 3.04Å; H225-D248 VanDerWaalsContact ND1-OD2 3.08Å
226H98.1Very high98.6Very high140 Ų14035.9 Ų35.965%0.64820%0.196SC*.SBendtrans-118.911.2-178.7-55.790.9000113.1G224 D248G224-H226 PolarHBondContact O-CE1 2.7Å; G224-H226 PolarHBondContact O-ND1 2.62Å; H226-D248 PolarHBondContact N-OD2 2.9Å
227S98.6Very high98.6Very high36 Ų3639.1 Ų39.125%0.25221%0.209SC..SBendtrans-146.5-177174-156.90000109.3Q199 V229 D247Q199-S227 WeakPolarHBondContact CA-O 3.31Å; Q199-S227 VanDerWaalsContact CB-O 3.3Å; Q199-S227 WeakPolarHBondContact CB-O 3.43Å; Q199-S227 WeakPolarHBondContact CG-O 3.47Å; S227-V229 PolarHBondContact O-N 3.37Å; S227-D247 WeakPolarHBondContact OG-CB 3.46Å
228V98.8Very high98.6Very high27 Ų2737.2 Ų37.216%0.16420%0.196CC..  trans-50.6129.6177.4173.80000110D197 E230 A246 D247D197-V228 HydrophobicContact CB-CG1 4.25Å; D197-V228 HydrophobicContact CB-CG2 4.16Å; V228-E230 WeakPolarHBondContact CG1-OE1 3.44Å; V228-A246 CarbonylContact O-C 3.59Å; V228-A246 WeakPolarHBondContact O-CA 3.36Å; V228-A246 WeakPolarHBondContact O-CB 3.19Å; V228-D247 HydrophobicContact CB-CB 4.3Å; V228-D247 PolarHBondContact O-N 3.43Å
229V98.9Very high98.5Very high1 Ų136.6 Ų36.61%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-92.7112174.3-1670000107.9A195 S196 I201 H225 S227 V232 V245A195-V229 HydrophobicContact CB-CB 3.97Å; A195-V229 HydrophobicContact CB-CG1 3.75Å; A195-V229 WeakPolarHBondContact CB-O 3.41Å; S196-V229 PolarHBondContact N-O 2.7Å; S196-V229 PolarHBondContact O-N 3.15Å; S196-V229 VanDerWaalsContact O-N 3.09Å; I201-V229 HydrophobicContact CD1-CG1 4.14Å; I201-V229 HydrophobicContact CG1-CB 4.47Å; I201-V229 HydrophobicContact CG1-CG1 3.86Å; I201-V229 HydrophobicContact CG1-CG2 4.37Å; H225-V229 HydrophobicContact CB-CG2 3.73Å; S227-V229 PolarHBondContact O-N 3.37Å; V229-V232 HydrophobicContact CG1-CG1 4.42Å; V229-V245 VanDerWaalsContact CG1-O 3.28Å; V229-V245 WeakPolarHBondContact CG1-O 3.42Å
230E98.9Very high98.5Very high29 Ų2935.5 Ų35.514%0.13619%0.185CC..EExtended strand (participates in β ladder)trans-80-47.6-171.6-72.1-61.7152.700111.8G181 V228 V245 V275G181-E230 WeakPolarHBondContact CA-O 3.39Å; G181-E230 PolarHBondContact N-O 2.78Å; V228-E230 WeakPolarHBondContact CG1-OE1 3.44Å; E230-V245 PolarHBondContact N-O 2.91Å; E230-V275 WeakPolarHBondContact CB-O 3.39Å
231D98.9Very high98.6Very high9 Ų936.6 Ų36.65%0.04819%0.19CC..EExtended strand (participates in β ladder)trans-144.4153.3-176.2-159.623.7000113.9R128 G181 S244 V245 N276 L278R128-D231 IonicContact NH1-OD1 2.76Å; R128-D231 PolarHBondContact NH1-OD1 2.97Å; R128-D231 VanDerWaalsContact NH1-OD1 3.11Å; G181-D231 WeakPolarHBondContact CA-OD1 3.45Å; D231-S244 VanDerWaalsContact O-CA 3.31Å; D231-S244 WeakPolarHBondContact O-CA 3.47Å; D231-V245 HydrophobicContact CB-CG2 3.77Å; D231-V245 PolarHBondContact N-O 2.81Å; D231-V245 PolarHBondContact O-N 3.23Å; D231-N276 WeakPolarHBondContact CB-O 3.47Å; D231-L278 HydrophobicContact CB-CD2 3.85Å; D231-L278 PolarHBondContact OD2-N 2.93Å
232V98.9Very high98.6Very high1 Ų133.4 Ų33.41%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-137.9138.7178.4-74.80000108.9S183 L193 A195 I201 V229 G243S183-V232 WeakPolarHBondContact CB-O 3.12Å; L193-V232 HydrophobicContact CB-CB 4.29Å; L193-V232 HydrophobicContact CB-CG2 3.89Å; A195-V232 HydrophobicContact CB-CB 4.46Å; A195-V232 HydrophobicContact CB-CG1 3.81Å; A195-V232 HydrophobicContact CB-CG2 4.06Å; I201-V232 HydrophobicContact CB-CG1 4.37Å; I201-V232 HydrophobicContact CD1-CG1 3.96Å; I201-V232 HydrophobicContact CG1-CG1 3.76Å; I201-V232 HydrophobicContact CG2-CG1 3.75Å; V229-V232 HydrophobicContact CG1-CG1 4.42Å; V232-G243 WeakPolarHBondContact CA-O 3.16Å
233S98.9Very high98.6Very high22 Ų2233.1 Ų33.115%0.15417%0.172CC..EExtended strand (participates in β ladder)trans-143127.7-179.6-166.70000110.6F242 G243 F280S233-F242 CarbonylContact O-C 3.59Å; S233-F242 VanDerWaalsContact O-CA 3.31Å; S233-F242 WeakPolarHBondContact O-CA 3.43Å; S233-F242 VanDerWaalsContact O-CB 3.32Å; S233-F242 WeakPolarHBondContact O-CB 3.21Å; S233-G243 PolarHBondContact N-O 2.98Å; S233-G243 PolarHBondContact O-N 2.91Å; S233-F280 VanDerWaalsContact O-CE2 3.25Å; S233-F280 WeakPolarHBondContact O-CE2 3.09Å
234W98.9Very high98.6Very high2 Ų230.1 Ų30.11%0.00815%0.154CC..EExtended strand (participates in β ladder)trans-67.9144.1170.4-76.2103.9000111.3S183 N185 H191 L193 L203 G239 F242 T256 F280S183-W234 PolarHBondContact O-NE1 2.85Å; S183-W234 VanDerWaalsContact O-NE1 3.15Å; S183-W234 PolarHBondContact OG-N 2.85Å; S183-W234 VanDerWaalsContact OG-N 3.11Å; N185-W234 VanDerWaalsContact CA-CD1 3.49Å; N185-W234 HydrophobicContact CB-CD2 3.91Å; N185-W234 HydrophobicContact CB-CG 3.96Å; N185-W234 HydrophobicContact CB-CZ2 4.23Å; N185-W234 VanDerWaalsContact N-CD1 3.27Å; N185-W234 VanDerWaalsContact ND2-CD2 3.33Å; N185-W234 VanDerWaalsContact ND2-CZ3 3.34Å; N185-W234 WeakPolarHBondContact ND2-CZ3 3.46Å; H191-W234 HydrophobicContact CB-CZ2 4.34Å; L193-W234 HydrophobicContact CD1-CD2 3.59Å; L193-W234 HydrophobicContact CD1-CE3 4.19Å; L193-W234 HydrophobicContact CD1-CG 3.99Å; L193-W234 HydrophobicContact CD1-CH2 4.21Å; L193-W234 HydrophobicContact CD1-CZ2 3.63Å; L193-W234 HydrophobicContact CD1-CZ3 4.45Å; L193-W234 HydrophobicContact CD2-CZ2 4.06Å; L193-W234 HydrophobicContact CG-CD2 4.29Å; L193-W234 VanDerWaalsContact CG-CE2 3.43Å; L193-W234 HydrophobicContact CG-CH2 4.39Å; L193-W234 HydrophobicContact CG-CZ2 3.52Å; L203-W234 HydrophobicContact CD1-CH2 4.26Å; L203-W234 HydrophobicContact CD1-CZ2 3.68Å; W234-G239 WeakPolarHBondContact CZ3-O 3.34Å; W234-F242 HydrophobicContact CD2-CB 4.16Å; W234-F242 HydrophobicContact CE3-CB 3.78Å; W234-F242 HydrophobicContact CE3-CD1 4.39Å; W234-F242 HydrophobicContact CH2-CD1 4.34Å; W234-F242 HydrophobicContact CZ3-CB 4.24Å; W234-F242 AromaticContact CZ3-CD1 3.97Å; W234-F242 HydrophobicContact CZ3-CD1 3.97Å; W234-T256 HydrophobicContact CH2-CG2 3.67Å; W234-T256 HydrophobicContact CZ3-CG2 3.96Å; W234-F280 WeakPolarHBondContact O-CD2 3.47Å
235H98.8Very high98.6Very high3 Ų329.9 Ų29.91%0.01415%0.151CC..  trans-65.8135.3165.4-166.4-63000110.1F237 H238 I241 F280 E285H235-F237 AromaticContact CE1-CD2 3.7Å; H235-F237 PolarHBondContact ND1-N 3.48Å; H235-H238 HydrophobicContact CB-CB 4.35Å; H235-H238 AromaticContact CE1-CD2 3.34Å; H235-H238 PolarHBondContact CE1-CD2 3.09Å; H235-H238 AromaticContact ND1-CD2 3.73Å; H235-H238 PolarHBondContact ND1-N 2.83Å; H235-H238 VanDerWaalsContact ND1-N 3.18Å; H235-H238 AromaticContact NE2-CD2 3.62Å; H235-I241 HydrophobicContact CB-CB 3.87Å; H235-I241 HydrophobicContact CB-CG2 4.1Å; H235-I241 WeakPolarHBondContact CB-O 3.34Å; H235-I241 PolarHBondContact N-O 2.92Å; H235-F280 HydrophobicContact CB-CD1 4.36Å; H235-F280 HydrophobicContact CB-CE1 4.16Å; H235-F280 HydrophobicContact CB-CZ 4.34Å; H235-F280 AromaticContact CD2-CD1 3.61Å; H235-F280 AromaticContact CD2-CE1 3.38Å; H235-F280 WeakPolarHBondContact CD2-CE1 3.37Å; H235-E285 PolarHBondContact CE1-O 3.45Å; H235-E285 PolarHBondContact NE2-O 3.08Å
236L98.2Very high98.6Very high59 Ų5929.6 Ų29.631%0.30915%0.15SC..SBendtrans-78.4-29.6-172.3-59.1175.5000113.6V186 F280 P282V186-L236 HydrophobicContact CG1-CD2 4.03Å; V186-L236 HydrophobicContact CG2-CD2 4.2Å; V186-L236 WeakPolarHBondContact CG2-O 3.41Å; L236-F280 HydrophobicContact CD1-CB 4.31Å; L236-F280 HydrophobicContact CG-CB 4.19Å; L236-P282 HydrophobicContact CD1-CB 3.8Å
237F98.1Very high98.7Very high96 Ų9625 Ų2542%0.42113%0.13SC..SBendtrans-96.1-23.4177.1-54.9-93.7000115.4H235 P282 E285H235-F237 AromaticContact CE1-CD2 3.7Å; H235-F237 PolarHBondContact ND1-N 3.48Å; F237-P282 WeakPolarHBondContact CZ-O 3.21Å; F237-E285 HydrophobicContact CB-CB 4.3Å; F237-E285 HydrophobicContact CD2-CB 3.72Å; F237-E285 HydrophobicContact CE2-CB 4.19Å; F237-E285 HydrophobicContact CG-CB 3.98Å
238H98.2Very high98.7Very high85 Ų8524.5 Ų24.539%0.39413%0.125SC..  trans-123.490.6-170.7-65.2-60.5000109.8H235 H240 I241 E285H235-H238 HydrophobicContact CB-CB 4.35Å; H235-H238 AromaticContact CE1-CD2 3.34Å; H235-H238 PolarHBondContact CE1-CD2 3.09Å; H235-H238 AromaticContact ND1-CD2 3.73Å; H235-H238 PolarHBondContact ND1-N 2.83Å; H235-H238 VanDerWaalsContact ND1-N 3.18Å; H235-H238 AromaticContact NE2-CD2 3.62Å; H238-H240 PolarHBondContact O-N 3.36Å; H238-I241 HydrophobicContact CB-CB 4.16Å; H238-I241 HydrophobicContact CB-CG1 3.89Å; H238-I241 PolarHBondContact O-N 2.89Å; H238-E285 IonicContact CD2-OE2 3.86Å; H238-E285 IonicContact CE1-OE2 3.89Å; H238-E285 IonicContact NE2-OE2 2.66Å; H238-E285 PolarHBondContact NE2-OE2 2.88Å
239G97.5Very high98.7Very high11 Ų1125.4 Ų25.411%0.11313%0.129CC..THydrogen-bonded Turntrans-61.21.1-171.800000117.7N185 L188 W234N185-G239 PolarHBondContact ND2-O 3.37Å; L188-G239 WeakPolarHBondContact CD1-O 3.28Å; W234-G239 WeakPolarHBondContact CZ3-O 3.34Å
240H98.3Very high98.7Very high73 Ų7327.3 Ų27.334%0.33814%0.137SC..THydrogen-bonded Turntrans-109.8-8.8173.8-70.3-65.9000113.9H238 D255 T256 R257H238-H240 PolarHBondContact O-N 3.36Å; H240-D255 CarbonylContact O-C 3.57Å; H240-D255 WeakPolarHBondContact O-CA 3.46Å; H240-T256 VanDerWaalsContact CA-OG1 3.31Å; H240-T256 WeakPolarHBondContact CA-OG1 3.27Å; H240-T256 WeakPolarHBondContact CB-OG1 3.31Å; H240-T256 PolarHBondContact ND1-OG1 2.74Å; H240-T256 PolarHBondContact O-N 3Å; H240-T256 PolarHBondContact O-OG1 2.8Å; H240-T256 VanDerWaalsContact O-OG1 3.07Å; H240-R257 HydrophobicContact CB-CG 3.95Å
241I98.6Very high98.6Very high28 Ų2825.9 Ų25.914%0.14413%0.13CC..EExtended strand (participates in β ladder)trans-101.8138-177.3-55.9-56.9000109.3H235 H238 V253 W254 D255H235-I241 HydrophobicContact CB-CB 3.87Å; H235-I241 HydrophobicContact CB-CG2 4.1Å; H235-I241 WeakPolarHBondContact CB-O 3.34Å; H235-I241 PolarHBondContact N-O 2.92Å; H238-I241 HydrophobicContact CB-CB 4.16Å; H238-I241 HydrophobicContact CB-CG1 3.89Å; H238-I241 PolarHBondContact O-N 2.89Å; I241-V253 HydrophobicContact CG2-CG1 3.77Å; I241-W254 WeakPolarHBondContact CA-O 3.3Å; I241-D255 HydrophobicContact CD1-CB 3.63Å; I241-D255 WeakPolarHBondContact CD1-OD2 3.42Å
242F98.9Very high98.6Very high0 Ų025.5 Ų25.50%013%0.128CC..EExtended strand (participates in β ladder)trans-145156.9171.268-89.3000110.5L193 I201 F222 S233 W234 W254 T256L193-F242 HydrophobicContact CD1-CB 3.5Å; L193-F242 VanDerWaalsContact CD1-CB 3.5Å; L193-F242 HydrophobicContact CD1-CD1 3.89Å; L193-F242 HydrophobicContact CD1-CD2 3.59Å; L193-F242 HydrophobicContact CD1-CE1 4.47Å; L193-F242 HydrophobicContact CD1-CE2 4.22Å; L193-F242 HydrophobicContact CD1-CG 3.4Å; L193-F242 HydrophobicContact CD2-CE1 4.38Å; L193-F242 HydrophobicContact CD2-CE2 4.39Å; L193-F242 HydrophobicContact CD2-CZ 4.3Å; I201-F242 HydrophobicContact CD1-CE2 4.17Å; I201-F242 HydrophobicContact CG2-CE2 4.14Å; F222-F242 HydrophobicContact CD1-CZ 4.03Å; F222-F242 AromaticContact CD2-CZ 3.84Å; F222-F242 HydrophobicContact CD2-CZ 3.84Å; F222-F242 HydrophobicContact CE1-CE1 4.04Å; F222-F242 AromaticContact CE1-CZ 3.96Å; F222-F242 HydrophobicContact CE1-CZ 3.96Å; F222-F242 HydrophobicContact CE2-CE1 4.05Å; F222-F242 AromaticContact CE2-CZ 3.78Å; F222-F242 HydrophobicContact CE2-CZ 3.78Å; F222-F242 AromaticContact CG-CZ 3.98Å; F222-F242 HydrophobicContact CG-CZ 3.98Å; F222-F242 AromaticContact CZ-CE1 3.78Å; F222-F242 HydrophobicContact CZ-CE1 3.78Å; F222-F242 AromaticContact CZ-CZ 3.85Å; F222-F242 HydrophobicContact CZ-CZ 3.85Å; S233-F242 CarbonylContact O-C 3.59Å; S233-F242 VanDerWaalsContact O-CA 3.31Å; S233-F242 WeakPolarHBondContact O-CA 3.43Å; S233-F242 VanDerWaalsContact O-CB 3.32Å; S233-F242 WeakPolarHBondContact O-CB 3.21Å; W234-F242 HydrophobicContact CD2-CB 4.16Å; W234-F242 HydrophobicContact CE3-CB 3.78Å; W234-F242 HydrophobicContact CE3-CD1 4.39Å; W234-F242 HydrophobicContact CH2-CD1 4.34Å; W234-F242 HydrophobicContact CZ3-CB 4.24Å; W234-F242 AromaticContact CZ3-CD1 3.97Å; W234-F242 HydrophobicContact CZ3-CD1 3.97Å; F242-W254 HydrophobicContact CD1-CB 3.7Å; F242-W254 HydrophobicContact CD2-CB 3.94Å; F242-W254 AromaticContact CD2-CD1 3.66Å; F242-W254 HydrophobicContact CD2-CG 4.04Å; F242-W254 HydrophobicContact CE1-CB 3.28Å; F242-W254 HydrophobicContact CE1-CG 4Å; F242-W254 HydrophobicContact CE2-CB 3.56Å; F242-W254 AromaticContact CE2-CD1 3.2Å; F242-W254 HydrophobicContact CE2-CD2 4.21Å; F242-W254 AromaticContact CE2-CG 3.39Å; F242-W254 HydrophobicContact CE2-CG 3.39Å; F242-W254 AromaticContact CE2-NE1 3.91Å; F242-W254 HydrophobicContact CG-CB 4.01Å; F242-W254 HydrophobicContact CZ-CB 3.21Å; F242-W254 AromaticContact CZ-CD1 3.73Å; F242-W254 HydrophobicContact CZ-CD2 4.04Å; F242-W254 AromaticContact CZ-CG 3.37Å; F242-W254 HydrophobicContact CZ-CG 3.37Å; F242-W254 PolarHBondContact N-O 2.89Å; F242-W254 PolarHBondContact O-N 3.03Å; F242-T256 HydrophobicContact CD1-CG2 4.09Å; F242-T256 HydrophobicContact CE1-CG2 3.87Å
243G98.9Very high98.6Very high0 Ų025.7 Ų25.70%013%0.129CC..EExtended strand (participates in β ladder)trans-106153.6171.700000111V232 S233 M252 L278V232-G243 WeakPolarHBondContact CA-O 3.16Å; S233-G243 PolarHBondContact N-O 2.98Å; S233-G243 PolarHBondContact O-N 2.91Å; G243-M252 CarbonylContact C-O 3.58Å; G243-M252 VanDerWaalsContact CA-O 3.27Å; G243-M252 WeakPolarHBondContact CA-O 3.31Å; G243-L278 VanDerWaalsContact C-CD1 3.45Å
244S99Very high98.6Very high0 Ų024.8 Ų24.80%012%0.123CC..EExtended strand (participates in β ladder)trans-140.4150.6168.964.30000111.1I201 H225 D231 M252 W254I201-S244 WeakPolarHBondContact CD1-OG 3.15Å; H225-S244 PolarHBondContact CD2-OG 3.13Å; H225-S244 PolarHBondContact NE2-OG 3.03Å; D231-S244 VanDerWaalsContact O-CA 3.31Å; D231-S244 WeakPolarHBondContact O-CA 3.47Å; S244-M252 PolarHBondContact N-O 2.95Å; S244-M252 PolarHBondContact O-N 3.36Å; S244-W254 PolarHBondContact OG-NE1 2.89Å
245V98.9Very high98.6Very high0 Ų025.9 Ų25.90%013%0.128CC..EExtended strand (participates in β ladder)trans-133.8154.5178.4-64.20000110.5V229 E230 D231 K250 L251 V275 L278 T290V229-V245 VanDerWaalsContact CG1-O 3.28Å; V229-V245 WeakPolarHBondContact CG1-O 3.42Å; E230-V245 PolarHBondContact N-O 2.91Å; D231-V245 HydrophobicContact CB-CG2 3.77Å; D231-V245 PolarHBondContact N-O 2.81Å; D231-V245 PolarHBondContact O-N 3.23Å; V245-K250 WeakPolarHBondContact CA-O 3.49Å; V245-L251 HydrophobicContact CG1-CB 4.42Å; V245-L251 HydrophobicContact CG1-CD1 3.85Å; V245-V275 CarbonylContact C-O 3.52Å; V245-V275 HydrophobicContact CB-CB 3.83Å; V245-V275 HydrophobicContact CB-CG1 3.5Å; V245-V275 VanDerWaalsContact CB-CG1 3.5Å; V245-V275 WeakPolarHBondContact CB-O 3.44Å; V245-V275 HydrophobicContact CG1-CB 4.32Å; V245-V275 HydrophobicContact CG1-CG1 3.55Å; V245-V275 HydrophobicContact CG2-CG1 4.05Å; V245-V275 VanDerWaalsContact CG2-O 3.25Å; V245-V275 WeakPolarHBondContact CG2-O 3.36Å; V245-L278 HydrophobicContact CG1-CB 3.9Å; V245-L278 HydrophobicContact CG1-CD1 4.38Å; V245-L278 HydrophobicContact CG1-CD2 4.3Å; V245-L278 HydrophobicContact CG1-CG 4.4Å; V245-L278 HydrophobicContact CG2-CB 4.4Å; V245-L278 HydrophobicContact CG2-CD2 3.9Å; V245-T290 HydrophobicContact CG1-CG2 3.91Å
246A98.9Very high98.6Very high0 Ų027.4 Ų27.40%014%0.138CC..EExtended strand (participates in β ladder)trans-158.6170.7-167.500000112.5H225 V228 D248 N249 V275H225-A246 HydrophobicContact CB-CB 4.28Å; H225-A246 VanDerWaalsContact CE1-CB 3.44Å; H225-A246 WeakPolarHBondContact CE1-CB 3.48Å; H225-A246 WeakPolarHBondContact ND1-CB 3.34Å; V228-A246 CarbonylContact O-C 3.59Å; V228-A246 WeakPolarHBondContact O-CA 3.36Å; V228-A246 WeakPolarHBondContact O-CB 3.19Å; A246-D248 WeakPolarHBondContact CB-OD1 3.38Å; A246-D248 PolarHBondContact O-N 2.87Å; A246-D248 VanDerWaalsContact O-N 3.16Å; A246-N249 PolarHBondContact O-N 3Å; A246-N249 VanDerWaalsContact O-N 3.17Å; A246-V275 PolarHBondContact N-O 2.86Å; A246-V275 PolarHBondContact O-N 2.82Å
247D98.9Very high98.5Very high42 Ų4232.7 Ų32.723%0.22515%0.154CC..THydrogen-bonded Turntrans-66.1-7.7172.5-78.28.3000114.2S227 V228 N249 E274S227-D247 WeakPolarHBondContact OG-CB 3.46Å; V228-D247 HydrophobicContact CB-CB 4.3Å; V228-D247 PolarHBondContact O-N 3.43Å; D247-N249 PolarHBondContact O-N 3.4Å; D247-N249 PolarHBondContact O-OD1 3.43Å; D247-E274 HydrophobicContact CB-CG 3.93Å; D247-E274 WeakPolarHBondContact OD1-CB 3.47Å; D247-E274 WeakPolarHBondContact OD1-CG 3.49Å
248D98.7Very high98.5Very high27 Ų2729.6 Ų29.614%0.14414%0.144CC..THydrogen-bonded Turntrans-83.912.5171.666.87.7000113H225 H226 A246 K250H225-D248 VanDerWaalsContact CA-OD2 3.32Å; H225-D248 WeakPolarHBondContact CA-OD2 3.15Å; H225-D248 IonicContact CE1-OD1 3.43Å; H225-D248 IonicContact CG-OD2 2.7Å; H225-D248 IonicContact ND1-OD1 3.9Å; H225-D248 PolarHBondContact ND1-OD1 3.45Å; H225-D248 IonicContact ND1-OD2 2.62Å; H225-D248 PolarHBondContact ND1-OD2 3.04Å; H225-D248 VanDerWaalsContact ND1-OD2 3.08Å; H226-D248 PolarHBondContact N-OD2 2.9Å; A246-D248 WeakPolarHBondContact CB-OD1 3.38Å; A246-D248 PolarHBondContact O-N 2.87Å; A246-D248 VanDerWaalsContact O-N 3.16Å; D248-K250 WeakPolarHBondContact O-CG 3.4Å; D248-K250 PolarHBondContact O-N 2.9Å; D248-K250 WeakPolarHBondContact OD1-CB 3.42Å; D248-K250 PolarHBondContact OD1-N 3.17Å
249N98.7Very high98.3Very high45 Ų4531.2 Ų31.224%0.24117%0.165CC..SBendtrans65.916.3178.2-53.2-4.5000114.1A246 D247 A270 A273 E274A246-N249 PolarHBondContact O-N 3Å; A246-N249 VanDerWaalsContact O-N 3.17Å; D247-N249 PolarHBondContact O-N 3.4Å; D247-N249 PolarHBondContact O-OD1 3.43Å; N249-A270 PolarHBondContact O-N 2.99Å; N249-A273 VanDerWaalsContact CG-O 3.28Å; N249-A273 PolarHBondContact OD1-O 3.33Å; N249-A273 VanDerWaalsContact OD1-O 3.07Å; N249-E274 PolarHBondContact OD1-N 3.23Å
250K98.7Very high98.2Very high41 Ų4134 Ų3418%0.17818%0.177CC..EExtended strand (participates in β ladder)trans-105143.6-171.6-65.1174.5-167.8-59.10112.9V245 D248 M252 V268 D269V245-K250 WeakPolarHBondContact CA-O 3.49Å; D248-K250 WeakPolarHBondContact O-CG 3.4Å; D248-K250 PolarHBondContact O-N 2.9Å; D248-K250 WeakPolarHBondContact OD1-CB 3.42Å; D248-K250 PolarHBondContact OD1-N 3.17Å; K250-M252 HydrophobicContact CB-CE 4.34Å; K250-M252 HydrophobicContact CB-CG 4.39Å; K250-M252 HydrophobicContact CD-CE 3.67Å; K250-V268 VanDerWaalsContact CA-O 3.25Å; K250-V268 WeakPolarHBondContact CA-O 3.28Å; K250-D269 IonicContact NZ-OD1 3.34Å; K250-D269 PolarHBondContact NZ-OD1 3.08Å
251L98.8Very high98.2Very high0 Ų036 Ų360%018%0.182CC..EExtended strand (participates in β ladder)trans-96.9120.9154.9170.563.2000108V245 Q267 V268 A270 L278 T290 W300 L305V245-L251 HydrophobicContact CG1-CB 4.42Å; V245-L251 HydrophobicContact CG1-CD1 3.85Å; L251-Q267 WeakPolarHBondContact O-CA 3.4Å; L251-V268 HydrophobicContact CB-CG2 3.86Å; L251-V268 HydrophobicContact CD2-CG2 4.38Å; L251-V268 HydrophobicContact CG-CG2 4.42Å; L251-V268 PolarHBondContact N-O 3.1Å; L251-V268 VanDerWaalsContact N-O 3.1Å; L251-V268 PolarHBondContact O-N 2.97Å; L251-A270 HydrophobicContact CB-CB 3.85Å; L251-L278 HydrophobicContact CD1-CD1 4Å; L251-T290 HydrophobicContact CD1-CG2 4.16Å; L251-T290 HydrophobicContact CD2-CG2 4.13Å; L251-W300 HydrophobicContact CD2-CD2 4.32Å; L251-W300 HydrophobicContact CD2-CG 4.02Å; L251-L305 HydrophobicContact CD2-CD2 4.25Å
252M98.8Very high98.1Very high0 Ų038.8 Ų38.80%020%0.201CC..EExtended strand (participates in β ladder)trans-111.2137.1173.4-66.1-167.7-178.600110.6G224 G243 S244 K250 W254 P264 H266 Q267G224-M252 WeakPolarHBondContact O-CE 3.49Å; G243-M252 CarbonylContact C-O 3.58Å; G243-M252 VanDerWaalsContact CA-O 3.27Å; G243-M252 WeakPolarHBondContact CA-O 3.31Å; S244-M252 PolarHBondContact N-O 2.95Å; S244-M252 PolarHBondContact O-N 3.36Å; K250-M252 HydrophobicContact CB-CE 4.34Å; K250-M252 HydrophobicContact CB-CG 4.39Å; K250-M252 HydrophobicContact CD-CE 3.67Å; M252-W254 HydrophobicContact CB-CZ2 4.22Å; M252-W254 HydrophobicContact SD-CH2 4.33Å; M252-W254 HydrophobicContact SD-CZ2 3.59Å; M252-W254 VanDerWaalsContact SD-CZ2 3.59Å; M252-P264 HydrophobicContact CB-CB 3.92Å; M252-P264 HydrophobicContact CB-CG 4.1Å; M252-P264 HydrophobicContact CG-CB 4.32Å; M252-P264 HydrophobicContact CG-CG 3.94Å; M252-P264 HydrophobicContact SD-CB 4.28Å; M252-P264 HydrophobicContact SD-CG 3.68Å; M252-H266 WeakPolarHBondContact CA-O 3.36Å; M252-Q267 HydrophobicContact CG-CB 4.07Å
253V98.8Very high98.1Very high6 Ų645.4 Ų45.44%0.03623%0.229CC..EExtended strand (participates in β ladder)trans-114.5125.8173.9-177.40000109.3I241 P264 Q265 H266 L302 L305I241-V253 HydrophobicContact CG2-CG1 3.77Å; V253-P264 WeakPolarHBondContact O-CB 3.29Å; V253-Q265 PolarHBondContact O-N 3Å; V253-H266 HydrophobicContact CB-CB 4.24Å; V253-H266 PolarHBondContact N-O 3.47Å; V253-H266 PolarHBondContact O-N 2.84Å; V253-L302 HydrophobicContact CG1-CD2 4.15Å; V253-L302 HydrophobicContact CG2-CD2 3.84Å; V253-L305 HydrophobicContact CG2-CD1 3.75Å
254W98.8Very high98Very high3 Ų345.9 Ų45.91%0.01123%0.233CC..EExtended strand (participates in β ladder)trans-114.6155.7-171-59.290.5000111.1I201 F222 I241 F242 S244 M252 P264I201-W254 HydrophobicContact CD1-CZ2 4.43Å; F222-W254 HydrophobicContact CB-CE3 4.33Å; F222-W254 HydrophobicContact CB-CH2 4.1Å; F222-W254 HydrophobicContact CB-CZ2 4.46Å; F222-W254 HydrophobicContact CB-CZ3 4.05Å; F222-W254 HydrophobicContact CD1-CD2 4.34Å; F222-W254 AromaticContact CD1-CE3 3.71Å; F222-W254 HydrophobicContact CD1-CE3 3.71Å; F222-W254 AromaticContact CD1-CZ3 4Å; F222-W254 HydrophobicContact CD1-CZ3 4Å; F222-W254 HydrophobicContact CE1-CE3 4.5Å; F222-W254 HydrophobicContact CG-CE3 4.37Å; F222-W254 HydrophobicContact CG-CZ3 4.49Å; I241-W254 WeakPolarHBondContact CA-O 3.3Å; F242-W254 HydrophobicContact CD1-CB 3.7Å; F242-W254 HydrophobicContact CD2-CB 3.94Å; F242-W254 AromaticContact CD2-CD1 3.66Å; F242-W254 HydrophobicContact CD2-CG 4.04Å; F242-W254 HydrophobicContact CE1-CB 3.28Å; F242-W254 HydrophobicContact CE1-CG 4Å; F242-W254 HydrophobicContact CE2-CB 3.56Å; F242-W254 AromaticContact CE2-CD1 3.2Å; F242-W254 HydrophobicContact CE2-CD2 4.21Å; F242-W254 AromaticContact CE2-CG 3.39Å; F242-W254 HydrophobicContact CE2-CG 3.39Å; F242-W254 AromaticContact CE2-NE1 3.91Å; F242-W254 HydrophobicContact CG-CB 4.01Å; F242-W254 HydrophobicContact CZ-CB 3.21Å; F242-W254 AromaticContact CZ-CD1 3.73Å; F242-W254 HydrophobicContact CZ-CD2 4.04Å; F242-W254 AromaticContact CZ-CG 3.37Å; F242-W254 HydrophobicContact CZ-CG 3.37Å; F242-W254 PolarHBondContact N-O 2.89Å; F242-W254 PolarHBondContact O-N 3.03Å; S244-W254 PolarHBondContact OG-NE1 2.89Å; M252-W254 HydrophobicContact CB-CZ2 4.22Å; M252-W254 HydrophobicContact SD-CH2 4.33Å; M252-W254 HydrophobicContact SD-CZ2 3.59Å; M252-W254 VanDerWaalsContact SD-CZ2 3.59Å; W254-P264 HydrophobicContact CD2-CB 3.81Å; W254-P264 HydrophobicContact CE3-CB 3.91Å; W254-P264 HydrophobicContact CG-CB 4.4Å; W254-P264 HydrophobicContact CH2-CB 4.18Å; W254-P264 HydrophobicContact CZ2-CB 4.07Å; W254-P264 HydrophobicContact CZ3-CB 4.1Å
255D98.4Very high98Very high24 Ų2450.7 Ų50.713%0.12826%0.255CS..EExtended strand (participates in β ladder)trans-132115.8171.7-172.7-25000108.6H240 I241 R257 S258 Q265H240-D255 CarbonylContact O-C 3.57Å; H240-D255 WeakPolarHBondContact O-CA 3.46Å; I241-D255 HydrophobicContact CD1-CB 3.63Å; I241-D255 WeakPolarHBondContact CD1-OD2 3.42Å; D255-R257 PolarHBondContact O-N 3.45Å; D255-R257 VanDerWaalsContact O-N 3.15Å; D255-R257 WeakPolarHBondContact OD1-CB 3.38Å; D255-R257 WeakPolarHBondContact OD1-CG 3.5Å; D255-R257 IonicContact OD1-CZ 3.12Å; D255-R257 PolarHBondContact OD1-N 2.99Å; D255-R257 IonicContact OD1-NE 3.31Å; D255-R257 PolarHBondContact OD1-NE 3.33Å; D255-R257 IonicContact OD1-NH2 2.75Å; D255-R257 IonicContact OD2-CZ 3.55Å; D255-R257 VanDerWaalsContact OD2-CZ 3.31Å; D255-R257 IonicContact OD2-NE 3.84Å; D255-R257 PolarHBondContact OD2-NE 3.06Å; D255-R257 VanDerWaalsContact OD2-NE 3.14Å; D255-R257 IonicContact OD2-NH2 2.93Å; D255-R257 PolarHBondContact OD2-NH2 3.12Å; D255-S258 WeakPolarHBondContact O-CB 3.38Å; D255-S258 PolarHBondContact O-N 2.9Å; D255-Q265 HydrophobicContact CB-CG 3.72Å
256T98.1Very high97.9Very high36 Ų3655.6 Ų55.622%0.22128%0.278CS..THydrogen-bonded Turntrans-63.2-16.718053.60000114.3L203 F222 W234 H240 F242 S258L203-T256 HydrophobicContact CD2-CG2 4.03Å; F222-T256 HydrophobicContact CZ-CG2 4.15Å; W234-T256 HydrophobicContact CH2-CG2 3.67Å; W234-T256 HydrophobicContact CZ3-CG2 3.96Å; H240-T256 VanDerWaalsContact CA-OG1 3.31Å; H240-T256 WeakPolarHBondContact CA-OG1 3.27Å; H240-T256 WeakPolarHBondContact CB-OG1 3.31Å; H240-T256 PolarHBondContact ND1-OG1 2.74Å; H240-T256 PolarHBondContact O-N 3Å; H240-T256 PolarHBondContact O-OG1 2.8Å; H240-T256 VanDerWaalsContact O-OG1 3.07Å; F242-T256 HydrophobicContact CD1-CG2 4.09Å; F242-T256 HydrophobicContact CE1-CG2 3.87Å; T256-S258 VanDerWaalsContact C-N 3.27Å
257R97.5Very high97.9Very high169 Ų16960.9 Ų60.964%0.63830%0.302SS*.THydrogen-bonded Turntrans-76.8-17.4173.7-57.1169.5-65.8-175.21.4111.9H240 D255H240-R257 HydrophobicContact CB-CG 3.95Å; D255-R257 PolarHBondContact O-N 3.45Å; D255-R257 VanDerWaalsContact O-N 3.15Å; D255-R257 WeakPolarHBondContact OD1-CB 3.38Å; D255-R257 WeakPolarHBondContact OD1-CG 3.5Å; D255-R257 IonicContact OD1-CZ 3.12Å; D255-R257 PolarHBondContact OD1-N 2.99Å; D255-R257 IonicContact OD1-NE 3.31Å; D255-R257 PolarHBondContact OD1-NE 3.33Å; D255-R257 IonicContact OD1-NH2 2.75Å; D255-R257 IonicContact OD2-CZ 3.55Å; D255-R257 VanDerWaalsContact OD2-CZ 3.31Å; D255-R257 IonicContact OD2-NE 3.84Å; D255-R257 PolarHBondContact OD2-NE 3.06Å; D255-R257 VanDerWaalsContact OD2-NE 3.14Å; D255-R257 IonicContact OD2-NH2 2.93Å; D255-R257 PolarHBondContact OD2-NH2 3.12Å
258S96.8Very high97.8Very high31 Ų3159.8 Ų59.822%0.21730%0.297CS..  trans-69130.2171.6178.70000110.1D255 T256 N260D255-S258 WeakPolarHBondContact O-CB 3.38Å; D255-S258 PolarHBondContact O-N 2.9Å; T256-S258 VanDerWaalsContact C-N 3.27Å; S258-N260 PolarHBondContact O-N 3.46Å; S258-N260 PolarHBondContact OG-N 3.34Å; S258-N260 VanDerWaalsContact OG-N 3.15Å; S258-N260 PolarHBondContact OG-O 3.36Å
259S93.8Very high97.8Very high120 Ų12064.2 Ų64.284%0.83932%0.321SS*.SBendtrans-72-18.317163.10000112.6
260N96.2Very high97.8Very high68 Ų6862.2 Ų62.236%0.36431%0.311SS..  trans-85.8115.6177.7-171.4-16.6000110S258 T262 K263S258-N260 PolarHBondContact O-N 3.46Å; S258-N260 PolarHBondContact OG-N 3.34Å; S258-N260 VanDerWaalsContact OG-N 3.15Å; S258-N260 PolarHBondContact OG-O 3.36Å; N260-T262 PolarHBondContact OD1-N 3.46Å; N260-T262 PolarHBondContact OD1-OG1 3.13Å; N260-K263 PolarHBondContact OD1-N 3.47Å
261R97.1Very high97.8Very high116 Ų11660.9 Ų60.944%0.43831%0.305SS..SBendtrans-103.3-2.7-179.9-58.1171.9-179.8174.5-9.8113.3M219 I221 F222 T223M219-R261 PolarHBondContact O-NH2 2.84Å; I221-R261 WeakPolarHBondContact O-CB 3.43Å; F222-R261 CarbonylContact C-O 3.23Å; F222-R261 WeakPolarHBondContact CA-O 3.06Å; F222-R261 HydrophobicContact CD1-CB 4.07Å; F222-R261 HydrophobicContact CD1-CG 4.28Å; F222-R261 HydrophobicContact CE1-CG 4.27Å; T223-R261 PolarHBondContact N-O 2.88Å
262T98Very high97.8Very high87 Ų8766.8 Ų66.853%0.53434%0.341SS..SBendtrans-101.5-7.8178.662.60000112.3T223 G224 N260T223-T262 VanDerWaalsContact OG1-CG2 3.3Å; T223-T262 WeakPolarHBondContact OG1-CG2 3.27Å; G224-T262 WeakPolarHBondContact CA-O 3.4Å; N260-T262 PolarHBondContact OD1-N 3.46Å; N260-T262 PolarHBondContact OD1-OG1 3.13Å
263K97.7Very high97.8Very high139 Ų13967.8 Ų67.860%0.60435%0.349SS*.SBendtrans-134.4122.2-179.7-172.6179.8177.41800110.7N260N260-K263 PolarHBondContact OD1-N 3.47Å
264P98.2Very high97.8Very high10 Ų1071.4 Ų71.47%0.06537%0.366CS..  trans-71165175.234.1-39.9000111.6M252 V253 W254 H266 Q267M252-P264 HydrophobicContact CB-CB 3.92Å; M252-P264 HydrophobicContact CB-CG 4.1Å; M252-P264 HydrophobicContact CG-CB 4.32Å; M252-P264 HydrophobicContact CG-CG 3.94Å; M252-P264 HydrophobicContact SD-CB 4.28Å; M252-P264 HydrophobicContact SD-CG 3.68Å; V253-P264 WeakPolarHBondContact O-CB 3.29Å; W254-P264 HydrophobicContact CD2-CB 3.81Å; W254-P264 HydrophobicContact CE3-CB 3.91Å; W254-P264 HydrophobicContact CG-CB 4.4Å; W254-P264 HydrophobicContact CH2-CB 4.18Å; W254-P264 HydrophobicContact CZ2-CB 4.07Å; W254-P264 HydrophobicContact CZ3-CB 4.1Å; P264-H266 WeakPolarHBondContact CB-O 3.44Å; P264-Q267 HydrophobicContact CG-CB 3.94Å
265Q97.7Very high97.8Very high100 Ų10071.3 Ų71.347%0.46737%0.365SS..SBendtrans-68.9-41.3173.2-65.8-56-43.400111V253 D255V253-Q265 PolarHBondContact O-N 3Å; D255-Q265 HydrophobicContact CB-CG 3.72Å
266H97.8Very high97.8Very high104 Ų10470.5 Ų70.548%0.48136%0.361SS..EExtended strand (participates in β ladder)trans-133.1146.4173.9-58.3-77.1000110M252 V253 P264 L305M252-H266 WeakPolarHBondContact CA-O 3.36Å; V253-H266 HydrophobicContact CB-CB 4.24Å; V253-H266 PolarHBondContact N-O 3.47Å; V253-H266 PolarHBondContact O-N 2.84Å; P264-H266 WeakPolarHBondContact CB-O 3.44Å; H266-L305 HydrophobicContact CB-CD1 3.63Å
267Q97.6Very high97.8Very high110 Ų11068.8 Ų68.851%0.51435%0.351SS..EExtended strand (participates in β ladder)trans-141.5142.1169.368.1-179.512.900107.9L251 M252 P264L251-Q267 WeakPolarHBondContact O-CA 3.4Å; M252-Q267 HydrophobicContact CG-CB 4.07Å; P264-Q267 HydrophobicContact CG-CB 3.94Å
268V98.1Very high97.9Very high20 Ų2061 Ų6112%0.12132%0.321CS..EExtended strand (participates in β ladder)trans-139.4146.6175.5-62.40000110K250 L251 A270 W300 L305K250-V268 VanDerWaalsContact CA-O 3.25Å; K250-V268 WeakPolarHBondContact CA-O 3.28Å; L251-V268 HydrophobicContact CB-CG2 3.86Å; L251-V268 HydrophobicContact CD2-CG2 4.38Å; L251-V268 HydrophobicContact CG-CG2 4.42Å; L251-V268 PolarHBondContact N-O 3.1Å; L251-V268 VanDerWaalsContact N-O 3.1Å; L251-V268 PolarHBondContact O-N 2.97Å; V268-A270 HydrophobicContact CG2-CB 4.49Å; V268-A270 PolarHBondContact O-N 2.98Å; V268-W300 HydrophobicContact CG2-CZ3 4.28Å; V268-L305 HydrophobicContact CG1-CB 3.63Å; V268-L305 WeakPolarHBondContact CG1-O 3.2Å
269D98.3Very high98Very high120 Ų12060 Ų6064%0.64232%0.315SS*.EExtended strand (participates in β ladder)trans-73.7100.5166.2-57.8-50.2000106.6K250K250-D269 IonicContact NZ-OD1 3.34Å; K250-D269 PolarHBondContact NZ-OD1 3.08Å
270A98.4Very high98.2Very high3 Ų354.7 Ų54.73%0.02528%0.277CS..  trans-83.5-41.4-165.800000111.9N249 L251 V268 V275 W300 K308N249-A270 PolarHBondContact O-N 2.99Å; L251-A270 HydrophobicContact CB-CB 3.85Å; V268-A270 HydrophobicContact CG2-CB 4.49Å; V268-A270 PolarHBondContact O-N 2.98Å; A270-V275 HydrophobicContact CB-CG2 4.3Å; A270-W300 VanDerWaalsContact CA-CZ2 3.49Å; A270-W300 HydrophobicContact CB-CH2 4.19Å; A270-W300 HydrophobicContact CB-CZ2 3.65Å; A270-W300 WeakPolarHBondContact O-CH2 3.42Å; A270-W300 VanDerWaalsContact O-CZ2 3.26Å; A270-W300 WeakPolarHBondContact O-CZ2 3.26Å; A270-K308 WeakPolarHBondContact O-CE 3.41Å; A270-K308 PolarHBondContact O-NZ 2.52Å
271H98.7Very high98.4Very high12 Ų1251.7 Ų51.76%0.05626%0.261CS..  trans-137.2171.2-172.7-76.3-91.9000111.4V275 T290 S292 D294 T296 A298H271-V275 HydrophobicContact CB-CG2 3.69Å; H271-T290 PolarHBondContact CD2-OG1 3.07Å; H271-T290 PolarHBondContact NE2-O 3.32Å; H271-T290 PolarHBondContact NE2-OG1 3.18Å; H271-S292 WeakPolarHBondContact CB-OG 3.35Å; H271-S292 WeakPolarHBondContact ND1-CB 3.34Å; H271-D294 WeakPolarHBondContact CB-OD2 3.25Å; H271-D294 IonicContact CE1-OD1 3.39Å; H271-D294 IonicContact CG-OD2 3.75Å; H271-D294 VanDerWaalsContact ND1-CG 3.31Å; H271-D294 IonicContact ND1-OD1 2.7Å; H271-D294 PolarHBondContact ND1-OD1 3.11Å; H271-D294 IonicContact ND1-OD2 3.93Å; H271-D294 PolarHBondContact ND1-OD2 2.96Å; H271-T296 PolarHBondContact CE1-O 3.49Å; H271-T296 PolarHBondContact CE1-OG1 3.38Å; H271-T296 VanDerWaalsContact CE1-OG1 3.28Å; H271-T296 PolarHBondContact ND1-OG1 2.97Å; H271-A298 WeakPolarHBondContact NE2-CB 3.25Å
272T98.5Very high98.4Very high125 Ų12548.3 Ų48.377%0.76725%0.254SS*.SBendtrans-89.3-6.5176.551.20000113.8D294T272-D294 PolarHBondContact N-OD2 2.97Å; T272-D294 WeakPolarHBondContact OG1-CB 3.49Å; T272-D294 PolarHBondContact OG1-OD2 2.89Å
273A98.7Very high98.4Very high20 Ų2048.5 Ų48.517%0.16525%0.248CC..SBendtrans-141.1-174.1176.600000109.9N249 S292 A293 D294N249-A273 VanDerWaalsContact CG-O 3.28Å; N249-A273 PolarHBondContact OD1-O 3.33Å; N249-A273 VanDerWaalsContact OD1-O 3.07Å; A273-S292 PolarHBondContact O-OG 2.95Å; A273-A293 HydrophobicContact CB-CB 3.94Å; A273-D294 HydrophobicContact CB-CB 3.95Å
274E98.8Very high98.5Very high83 Ų8344 Ų4439%0.38823%0.234SC..  trans-52.1136.5-178.8-64.379.7-17800111D247 N249 S292 A293D247-E274 HydrophobicContact CB-CG 3.93Å; D247-E274 WeakPolarHBondContact OD1-CB 3.47Å; D247-E274 WeakPolarHBondContact OD1-CG 3.49Å; N249-E274 PolarHBondContact OD1-N 3.23Å; E274-S292 CarbonylContact O-C 3.53Å; E274-S292 VanDerWaalsContact O-CA 3.25Å; E274-S292 WeakPolarHBondContact O-CA 3.35Å; E274-S292 VanDerWaalsContact O-CB 3.26Å; E274-S292 WeakPolarHBondContact O-CB 3.42Å; E274-S292 PolarHBondContact O-OG 3.38Å; E274-A293 HydrophobicContact CB-CB 4.11Å; E274-A293 PolarHBondContact O-N 3.28Å
275V98.9Very high98.4Very high0 Ų047 Ų470%025%0.247CC..EExtended strand (participates in β ladder)trans-107.2106.8-179-171.30000108.7E230 V245 A246 A270 H271 T290E230-V275 WeakPolarHBondContact CB-O 3.39Å; V245-V275 CarbonylContact C-O 3.52Å; V245-V275 HydrophobicContact CB-CB 3.83Å; V245-V275 HydrophobicContact CB-CG1 3.5Å; V245-V275 VanDerWaalsContact CB-CG1 3.5Å; V245-V275 WeakPolarHBondContact CB-O 3.44Å; V245-V275 HydrophobicContact CG1-CB 4.32Å; V245-V275 HydrophobicContact CG1-CG1 3.55Å; V245-V275 HydrophobicContact CG2-CG1 4.05Å; V245-V275 VanDerWaalsContact CG2-O 3.25Å; V245-V275 WeakPolarHBondContact CG2-O 3.36Å; A246-V275 PolarHBondContact N-O 2.86Å; A246-V275 PolarHBondContact O-N 2.82Å; A270-V275 HydrophobicContact CB-CG2 4.3Å; H271-V275 HydrophobicContact CB-CG2 3.69Å; V275-T290 HydrophobicContact CG1-CG2 4.38Å
276N98.9Very high98.5Very high8 Ų845.2 Ų45.24%0.04324%0.238CC..EExtended strand (participates in β ladder)trans-90.8-24-165-62.2-30.4000113.9D231 G291 I319 F320D231-N276 WeakPolarHBondContact CB-O 3.47Å; N276-G291 PolarHBondContact N-O 2.91Å; N276-I319 VanDerWaalsContact CB-O 3.27Å; N276-I319 WeakPolarHBondContact CB-O 3.45Å; N276-I319 PolarHBondContact ND2-O 3.47Å; N276-F320 HydrophobicContact CB-CD1 4.18Å
277C98.9Very high98.5Very high0 Ų041.5 Ų41.50%022%0.221CC..EExtended strand (participates in β ladder)trans-151.6152.5-174.155.80000112.9T290 G291 F320 Q321 V322C277-T290 CarbonylContact O-C 3.56Å; C277-T290 VanDerWaalsContact O-CA 3.28Å; C277-T290 WeakPolarHBondContact O-CA 3.36Å; C277-G291 PolarHBondContact N-O 2.97Å; C277-G291 PolarHBondContact O-N 2.94Å; C277-G291 VanDerWaalsContact SG-CA 3.58Å; C277-F320 WeakPolarHBondContact CB-O 3.44Å; C277-Q321 VanDerWaalsContact SG-C 3.53Å; C277-V322 HydrophobicContact CB-CG1 4.02Å
278L98.9Very high98.6Very high4 Ų436.2 Ų36.22%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-142149.7170.981.4161000112.8D231 G243 V245 L251 F280 A289 T290D231-L278 HydrophobicContact CB-CD2 3.85Å; D231-L278 PolarHBondContact OD2-N 2.93Å; G243-L278 VanDerWaalsContact C-CD1 3.45Å; V245-L278 HydrophobicContact CG1-CB 3.9Å; V245-L278 HydrophobicContact CG1-CD1 4.38Å; V245-L278 HydrophobicContact CG1-CD2 4.3Å; V245-L278 HydrophobicContact CG1-CG 4.4Å; V245-L278 HydrophobicContact CG2-CB 4.4Å; V245-L278 HydrophobicContact CG2-CD2 3.9Å; L251-L278 HydrophobicContact CD1-CD1 4Å; L278-F280 HydrophobicContact CD1-CE2 4.3Å; L278-A289 CarbonylContact C-O 3.57Å; L278-A289 VanDerWaalsContact CA-O 3.27Å; L278-A289 WeakPolarHBondContact CA-O 3.18Å; L278-T290 HydrophobicContact CB-CG2 3.95Å
279A98.9Very high98.6Very high11 Ų1135.3 Ų35.39%0.09119%0.191CC..EExtended strand (participates in β ladder)trans-141.5128.7173.700000112.1I288 A289 V322 W324A279-I288 WeakPolarHBondContact O-CA 3.2Å; A279-A289 PolarHBondContact N-O 3.09Å; A279-A289 PolarHBondContact O-N 3.38Å; A279-V322 HydrophobicContact CB-CG1 4.07Å; A279-V322 WeakPolarHBondContact CB-O 3.42Å; A279-W324 PolarHBondContact O-NE1 3.14Å
280F98.8Very high98.6Very high9 Ų929.6 Ų29.64%0.03916%0.16CC..EExtended strand (participates in β ladder)trans-75.6138.1166.8-75.1-89.4000110.2S233 W234 H235 L236 L278 I288 L302 W324S233-F280 VanDerWaalsContact O-CE2 3.25Å; S233-F280 WeakPolarHBondContact O-CE2 3.09Å; W234-F280 WeakPolarHBondContact O-CD2 3.47Å; H235-F280 HydrophobicContact CB-CD1 4.36Å; H235-F280 HydrophobicContact CB-CE1 4.16Å; H235-F280 HydrophobicContact CB-CZ 4.34Å; H235-F280 AromaticContact CD2-CD1 3.61Å; H235-F280 AromaticContact CD2-CE1 3.38Å; H235-F280 WeakPolarHBondContact CD2-CE1 3.37Å; L236-F280 HydrophobicContact CD1-CB 4.31Å; L236-F280 HydrophobicContact CG-CB 4.19Å; L278-F280 HydrophobicContact CD1-CE2 4.3Å; F280-I288 HydrophobicContact CD1-CD1 4.02Å; F280-I288 HydrophobicContact CD1-CG1 3.64Å; F280-I288 HydrophobicContact CE1-CD1 3.33Å; F280-I288 HydrophobicContact CE1-CG1 3.51Å; F280-I288 HydrophobicContact CG-CG1 4.38Å; F280-I288 HydrophobicContact CZ-CD1 3.66Å; F280-I288 HydrophobicContact CZ-CG1 4.15Å; F280-L302 HydrophobicContact CE1-CD1 4.03Å; F280-W324 VanDerWaalsContact C-CD1 3.42Å
281N98.8Very high98.7Very high5 Ų529.4 Ų29.43%0.02716%0.159CC..  trans-69.8129.1175.6-174.1-62.4000110.2F283 S284 I287 W324 E329N281-F283 VanDerWaalsContact C-N 3.25Å; N281-F283 PolarHBondContact O-N 2.98Å; N281-F283 WeakPolarHBondContact OD1-CA 3.46Å; N281-F283 WeakPolarHBondContact OD1-CB 3.39Å; N281-F283 PolarHBondContact OD1-N 3.31Å; N281-S284 PolarHBondContact OD1-N 2.91Å; N281-I287 HydrophobicContact CB-CB 3.9Å; N281-I287 HydrophobicContact CB-CG2 4.07Å; N281-I287 PolarHBondContact N-O 2.98Å; N281-W324 HydrophobicContact CB-CD2 3.97Å; N281-W324 HydrophobicContact CB-CE3 4.47Å; N281-W324 HydrophobicContact CB-CG 4.31Å; N281-W324 HydrophobicContact CB-CZ2 4.17Å; N281-W324 WeakPolarHBondContact ND2-CZ3 3.39Å; N281-E329 PolarHBondContact ND2-O 2.89Å
282P98.2Very high98.7Very high45 Ų4528.9 Ų28.929%0.29216%0.156SC..SBendtrans-74.3-10.8-177.826.7-31000114.6L236 F237 W324L236-P282 HydrophobicContact CD1-CB 3.8Å; F237-P282 WeakPolarHBondContact CZ-O 3.21Å; P282-W324 VanDerWaalsContact CD-CB 3.44Å; P282-W324 HydrophobicContact CG-CB 4.15Å
283F98.5Very high98.7Very high91 Ų9123.6 Ų23.640%0.39913%0.125SC..SBendtrans-110.9-22.9-178.9-58.5-82.4000113N281 P326 E329N281-F283 VanDerWaalsContact C-N 3.25Å; N281-F283 PolarHBondContact O-N 2.98Å; N281-F283 WeakPolarHBondContact OD1-CA 3.46Å; N281-F283 WeakPolarHBondContact OD1-CB 3.39Å; N281-F283 PolarHBondContact OD1-N 3.31Å; F283-P326 WeakPolarHBondContact CZ-O 3.36Å; F283-E329 HydrophobicContact CB-CB 3.56Å; F283-E329 VanDerWaalsContact CD2-CA 3.46Å; F283-E329 HydrophobicContact CD2-CB 3.81Å; F283-E329 HydrophobicContact CG-CB 3.76Å
284S98.2Very high98.7Very high43 Ų4324.1 Ų24.130%0.30113%0.126SC..  trans-121.4116.8-179.3-175.50000112N281 F286 I287N281-S284 PolarHBondContact OD1-N 2.91Å; S284-F286 PolarHBondContact O-N 2.82Å; S284-I287 PolarHBondContact O-N 2.75Å; S284-I287 WeakPolarHBondContact OG-CG1 3.43Å
285E98Very high98.7Very high74 Ų7424.6 Ų24.635%0.34613%0.126SC..THydrogen-bonded Turntrans-67.6-6.7-178.171.9171.8125.300114.6H235 F237 H238H235-E285 PolarHBondContact CE1-O 3.45Å; H235-E285 PolarHBondContact NE2-O 3.08Å; F237-E285 HydrophobicContact CB-CB 4.3Å; F237-E285 HydrophobicContact CD2-CB 3.72Å; F237-E285 HydrophobicContact CE2-CB 4.19Å; F237-E285 HydrophobicContact CG-CB 3.98Å; H238-E285 IonicContact CD2-OE2 3.86Å; H238-E285 IonicContact CE1-OE2 3.89Å; H238-E285 IonicContact NE2-OE2 2.66Å; H238-E285 PolarHBondContact NE2-OE2 2.88Å
286F98.4Very high98.7Very high63 Ų6325.5 Ų25.528%0.27613%0.132SC..THydrogen-bonded Turntrans-112.4-11.1-176.8-57.9-62.3000113.7S284 D301 L302 R303S284-F286 PolarHBondContact O-N 2.82Å; F286-D301 CarbonylContact O-C 3.47Å; F286-D301 WeakPolarHBondContact O-CA 3.32Å; F286-L302 HydrophobicContact CD1-CB 4.43Å; F286-L302 PolarHBondContact O-N 2.94Å; F286-R303 HydrophobicContact CB-CG 4.38Å; F286-R303 HydrophobicContact CD1-CG 3.46Å; F286-R303 VanDerWaalsContact CD1-CG 3.46Å; F286-R303 HydrophobicContact CE1-CG 3.81Å; F286-R303 HydrophobicContact CG-CG 3.86Å; F286-R303 HydrophobicContact CZ-CG 4.47Å
287I98.7Very high98.7Very high25 Ų2525.1 Ų25.113%0.12813%0.13CC..EExtended strand (participates in β ladder)trans-99.8131.2-169-60.8-62.1000111.1N281 S284 L299 W300 L309 W324N281-I287 HydrophobicContact CB-CB 3.9Å; N281-I287 HydrophobicContact CB-CG2 4.07Å; N281-I287 PolarHBondContact N-O 2.98Å; S284-I287 PolarHBondContact O-N 2.75Å; S284-I287 WeakPolarHBondContact OG-CG1 3.43Å; I287-L299 HydrophobicContact CG2-CD1 3.58Å; I287-L299 HydrophobicContact CG2-CG 4.31Å; I287-W300 WeakPolarHBondContact CA-O 3.45Å; I287-L309 HydrophobicContact CD1-CD1 3.77Å; I287-W324 HydrophobicContact CG2-CH2 3.92Å; I287-W324 HydrophobicContact CG2-CZ2 3.67Å
288I98.6Very high98.7Very high0 Ų025.1 Ų25.10%013%0.13CC..EExtended strand (participates in β ladder)trans-129.5141.6175.2-52.1174000108.2A279 F280 T290 W300 L302A279-I288 WeakPolarHBondContact O-CA 3.2Å; F280-I288 HydrophobicContact CD1-CD1 4.02Å; F280-I288 HydrophobicContact CD1-CG1 3.64Å; F280-I288 HydrophobicContact CE1-CD1 3.33Å; F280-I288 HydrophobicContact CE1-CG1 3.51Å; F280-I288 HydrophobicContact CG-CG1 4.38Å; F280-I288 HydrophobicContact CZ-CD1 3.66Å; F280-I288 HydrophobicContact CZ-CG1 4.15Å; I288-T290 HydrophobicContact CG2-CG2 4.48Å; I288-W300 HydrophobicContact CB-CB 4.35Å; I288-W300 PolarHBondContact N-O 3.16Å; I288-W300 VanDerWaalsContact N-O 3.11Å; I288-W300 PolarHBondContact O-N 3.17Å; I288-L302 HydrophobicContact CD1-CD1 4.27Å; I288-L302 HydrophobicContact CD1-CD2 3.56Å; I288-L302 HydrophobicContact CD1-CG 3.7Å; I288-L302 HydrophobicContact CG1-CG 4.22Å
289A98.9Very high98.7Very high0 Ų025.4 Ų25.40%013%0.131CC..EExtended strand (participates in β ladder)trans-109.5144.1165.100000110.2L278 A279 V297 A298 V322 W324 L332L278-A289 CarbonylContact C-O 3.57Å; L278-A289 VanDerWaalsContact CA-O 3.27Å; L278-A289 WeakPolarHBondContact CA-O 3.18Å; A279-A289 PolarHBondContact N-O 3.09Å; A279-A289 PolarHBondContact O-N 3.38Å; A289-V297 HydrophobicContact CB-CG1 4.11Å; A289-A298 CarbonylContact C-O 3.44Å; A289-A298 VanDerWaalsContact CA-O 3.31Å; A289-A298 WeakPolarHBondContact CA-O 3.35Å; A289-V322 HydrophobicContact CB-CG2 4.04Å; A289-W324 HydrophobicContact CB-CZ2 3.86Å; A289-L332 HydrophobicContact CB-CD1 4.06Å; A289-L332 HydrophobicContact CB-CD2 3.75Å
290T99Very high98.7Very high0 Ų025.2 Ų25.20%013%0.128CC..EExtended strand (participates in β ladder)trans-128.8137.2170.956.20000110.4V245 L251 H271 V275 C277 L278 I288 V297 A298 W300V245-T290 HydrophobicContact CG1-CG2 3.91Å; L251-T290 HydrophobicContact CD1-CG2 4.16Å; L251-T290 HydrophobicContact CD2-CG2 4.13Å; H271-T290 PolarHBondContact CD2-OG1 3.07Å; H271-T290 PolarHBondContact NE2-O 3.32Å; H271-T290 PolarHBondContact NE2-OG1 3.18Å; V275-T290 HydrophobicContact CG1-CG2 4.38Å; C277-T290 CarbonylContact O-C 3.56Å; C277-T290 VanDerWaalsContact O-CA 3.28Å; C277-T290 WeakPolarHBondContact O-CA 3.36Å; L278-T290 HydrophobicContact CB-CG2 3.95Å; I288-T290 HydrophobicContact CG2-CG2 4.48Å; T290-V297 CarbonylContact O-C 3.59Å; T290-V297 VanDerWaalsContact O-CA 3.25Å; T290-V297 WeakPolarHBondContact O-CA 3.44Å; T290-V297 WeakPolarHBondContact O-CG1 3.41Å; T290-A298 PolarHBondContact N-O 3.2Å; T290-A298 PolarHBondContact O-N 2.97Å; T290-W300 PolarHBondContact OG1-NE1 2.79Å
291G98.9Very high98.7Very high0 Ų025.7 Ų25.70%013%0.131CC..EExtended strand (participates in β ladder)trans-111.7146.9174.500000111.4N276 C277N276-G291 PolarHBondContact N-O 2.91Å; C277-G291 PolarHBondContact N-O 2.97Å; C277-G291 PolarHBondContact O-N 2.94Å; C277-G291 VanDerWaalsContact SG-CA 3.58Å
292S98.9Very high98.6Very high0 Ų026.9 Ų26.90%014%0.137CC..EExtended strand (participates in β ladder)trans-140.2161.8-168.9174.60000113.9H271 A273 E274 D294 K295 T296 I319H271-S292 WeakPolarHBondContact CB-OG 3.35Å; H271-S292 WeakPolarHBondContact ND1-CB 3.34Å; A273-S292 PolarHBondContact O-OG 2.95Å; E274-S292 CarbonylContact O-C 3.53Å; E274-S292 VanDerWaalsContact O-CA 3.25Å; E274-S292 WeakPolarHBondContact O-CA 3.35Å; E274-S292 VanDerWaalsContact O-CB 3.26Å; E274-S292 WeakPolarHBondContact O-CB 3.42Å; E274-S292 PolarHBondContact O-OG 3.38Å; S292-D294 WeakPolarHBondContact CB-OD1 3.2Å; S292-D294 PolarHBondContact O-N 3.33Å; S292-D294 PolarHBondContact OG-N 3.33Å; S292-D294 VanDerWaalsContact OG-N 3.07Å; S292-D294 PolarHBondContact OG-OD1 3.37Å; S292-K295 PolarHBondContact O-N 3.19Å; S292-T296 PolarHBondContact N-O 3.16Å; S292-I319 PolarHBondContact O-N 3.29Å; S292-I319 VanDerWaalsContact O-N 3.09Å
293A98.9Very high98.6Very high14 Ų1433 Ų3312%0.11615%0.154CC..THydrogen-bonded Turntrans-60.2-16.716500000113.6A273 E274 K295 E318A273-A293 HydrophobicContact CB-CB 3.94Å; E274-A293 HydrophobicContact CB-CB 4.11Å; E274-A293 PolarHBondContact O-N 3.28Å; A293-K295 PolarHBondContact O-N 3.02Å; A293-K295 VanDerWaalsContact O-N 3.15Å; A293-E318 HydrophobicContact CB-CB 4.32Å; A293-E318 HydrophobicContact CB-CG 3.81Å
294D98.8Very high98.6Very high32 Ų3232.1 Ų32.117%0.17115%0.154CC..THydrogen-bonded Turntrans-75.16.8172.675.310.5000114.2H271 T272 A273 S292 T296H271-D294 WeakPolarHBondContact CB-OD2 3.25Å; H271-D294 IonicContact CE1-OD1 3.39Å; H271-D294 IonicContact CG-OD2 3.75Å; H271-D294 VanDerWaalsContact ND1-CG 3.31Å; H271-D294 IonicContact ND1-OD1 2.7Å; H271-D294 PolarHBondContact ND1-OD1 3.11Å; H271-D294 IonicContact ND1-OD2 3.93Å; H271-D294 PolarHBondContact ND1-OD2 2.96Å; T272-D294 PolarHBondContact N-OD2 2.97Å; T272-D294 WeakPolarHBondContact OG1-CB 3.49Å; T272-D294 PolarHBondContact OG1-OD2 2.89Å; A273-D294 HydrophobicContact CB-CB 3.95Å; S292-D294 WeakPolarHBondContact CB-OD1 3.2Å; S292-D294 PolarHBondContact O-N 3.33Å; S292-D294 PolarHBondContact OG-N 3.33Å; S292-D294 VanDerWaalsContact OG-N 3.07Å; S292-D294 PolarHBondContact OG-OD1 3.37Å; D294-T296 PolarHBondContact O-N 3.11Å; D294-T296 WeakPolarHBondContact OD1-CB 3.28Å; D294-T296 PolarHBondContact OD1-N 2.91Å; D294-T296 PolarHBondContact OD1-OG1 3.02Å
295K98.8Very high98.5Very high93 Ų9330.5 Ų30.540%0.40414%0.142SC..SBendtrans71.111.3175.8-40.7175.1179.3-159.30113.9S292 A293 H315 R316S292-K295 PolarHBondContact O-N 3.19Å; A293-K295 PolarHBondContact O-N 3.02Å; A293-K295 VanDerWaalsContact O-N 3.15Å; K295-H315 WeakPolarHBondContact O-CB 3.5Å; K295-R316 WeakPolarHBondContact CD-O 3.38Å; K295-R316 WeakPolarHBondContact CE-O 3.38Å; K295-R316 PolarHBondContact NZ-O 2.8Å
296T98.9Very high98.3Very high18 Ų1837.8 Ų37.811%0.1117%0.166CC..EExtended strand (participates in β ladder)trans-113.4149.7178.773.80000111.8H271 S292 D294 F312 E313 I319H271-T296 PolarHBondContact CE1-O 3.49Å; H271-T296 PolarHBondContact CE1-OG1 3.38Å; H271-T296 VanDerWaalsContact CE1-OG1 3.28Å; H271-T296 PolarHBondContact ND1-OG1 2.97Å; S292-T296 PolarHBondContact N-O 3.16Å; D294-T296 PolarHBondContact O-N 3.11Å; D294-T296 WeakPolarHBondContact OD1-CB 3.28Å; D294-T296 PolarHBondContact OD1-N 2.91Å; D294-T296 PolarHBondContact OD1-OG1 3.02Å; T296-F312 WeakPolarHBondContact CA-O 3.31Å; T296-E313 HydrophobicContact CG2-CG 4.01Å; T296-I319 VanDerWaalsContact C-CD1 3.43Å; T296-I319 WeakPolarHBondContact O-CD1 2.93Å
297V98.9Very high98.2Very high0 Ų040.1 Ų40.10%018%0.181CC..EExtended strand (participates in β ladder)trans-98.5129.6158.5-175.60000107.6A289 T290 S311 F312 I319 V322 L332A289-V297 HydrophobicContact CB-CG1 4.11Å; T290-V297 CarbonylContact O-C 3.59Å; T290-V297 VanDerWaalsContact O-CA 3.25Å; T290-V297 WeakPolarHBondContact O-CA 3.44Å; T290-V297 WeakPolarHBondContact O-CG1 3.41Å; V297-S311 WeakPolarHBondContact O-CA 3.31Å; V297-F312 HydrophobicContact CB-CB 4.07Å; V297-F312 HydrophobicContact CB-CD2 3.82Å; V297-F312 HydrophobicContact CB-CG 4.35Å; V297-F312 HydrophobicContact CG1-CD2 3.95Å; V297-F312 HydrophobicContact CG1-CE2 4.48Å; V297-F312 PolarHBondContact N-O 3.33Å; V297-F312 WeakPolarHBondContact O-CD2 3.35Å; V297-F312 PolarHBondContact O-N 2.82Å; V297-I319 HydrophobicContact CG2-CD1 3.76Å; V297-V322 HydrophobicContact CG1-CG2 4.06Å; V297-L332 HydrophobicContact CG1-CD2 3.88Å
298A98.9Very high98.2Very high0 Ų042.8 Ų42.80%019%0.192CC..EExtended strand (participates in β ladder)trans-104138.7175.100000111.2H271 A289 T290 W300 K308H271-A298 WeakPolarHBondContact NE2-CB 3.25Å; A289-A298 CarbonylContact C-O 3.44Å; A289-A298 VanDerWaalsContact CA-O 3.31Å; A289-A298 WeakPolarHBondContact CA-O 3.35Å; T290-A298 PolarHBondContact N-O 3.2Å; T290-A298 PolarHBondContact O-N 2.97Å; A298-W300 HydrophobicContact CB-CZ2 3.69Å; A298-K308 HydrophobicContact CB-CD 3.74Å; A298-K308 HydrophobicContact CB-CG 4.06Å
299L98.9Very high98.2Very high11 Ų1147 Ų476%0.05821%0.214CC..EExtended strand (participates in β ladder)trans-100.8136.5174-164.269.7000110.8I287 L309 H310 F312 W324 L346I287-L299 HydrophobicContact CG2-CD1 3.58Å; I287-L299 HydrophobicContact CG2-CG 4.31Å; L299-L309 HydrophobicContact CB-CB 4.17Å; L299-L309 HydrophobicContact CD2-CB 4.2Å; L299-L309 HydrophobicContact CD2-CD1 4.13Å; L299-L309 HydrophobicContact CG-CB 4.28Å; L299-L309 HydrophobicContact CG-CD1 4.2Å; L299-L309 WeakPolarHBondContact O-CB 3.32Å; L299-L309 PolarHBondContact O-N 2.6Å; L299-H310 HydrophobicContact CB-CB 4.02Å; L299-H310 HydrophobicContact CD2-CB 4.35Å; L299-H310 PolarHBondContact N-O 2.94Å; L299-F312 HydrophobicContact CB-CE2 4.01Å; L299-F312 HydrophobicContact CD1-CE2 4.4Å; L299-W324 HydrophobicContact CD1-CH2 3.73Å; L299-W324 HydrophobicContact CD1-CZ2 3.77Å; L299-L346 HydrophobicContact CD1-CD2 3.92Å; L299-L346 HydrophobicContact CD2-CD2 3.51Å; L299-L346 HydrophobicContact CG-CD2 4.38Å
300W98.8Very high98.2Very high7 Ų749.2 Ų49.23%0.02722%0.224CC..EExtended strand (participates in β ladder)trans-131.1146.5-174.6-54.794.2000112.4L251 V268 A270 I287 I288 T290 A298 L305 K308L251-W300 HydrophobicContact CD2-CD2 4.32Å; L251-W300 HydrophobicContact CD2-CG 4.02Å; V268-W300 HydrophobicContact CG2-CZ3 4.28Å; A270-W300 VanDerWaalsContact CA-CZ2 3.49Å; A270-W300 HydrophobicContact CB-CH2 4.19Å; A270-W300 HydrophobicContact CB-CZ2 3.65Å; A270-W300 WeakPolarHBondContact O-CH2 3.42Å; A270-W300 VanDerWaalsContact O-CZ2 3.26Å; A270-W300 WeakPolarHBondContact O-CZ2 3.26Å; I287-W300 WeakPolarHBondContact CA-O 3.45Å; I288-W300 HydrophobicContact CB-CB 4.35Å; I288-W300 PolarHBondContact N-O 3.16Å; I288-W300 VanDerWaalsContact N-O 3.11Å; I288-W300 PolarHBondContact O-N 3.17Å; T290-W300 PolarHBondContact OG1-NE1 2.79Å; A298-W300 HydrophobicContact CB-CZ2 3.69Å; W300-L305 HydrophobicContact CB-CD2 3.93Å; W300-L305 WeakPolarHBondContact CZ3-O 3.21Å; W300-K308 HydrophobicContact CE3-CB 4.4Å; W300-K308 HydrophobicContact CH2-CB 3.91Å; W300-K308 HydrophobicContact CH2-CG 4.25Å; W300-K308 HydrophobicContact CZ2-CG 4.36Å; W300-K308 HydrophobicContact CZ3-CB 3.86Å; W300-K308 HydrophobicContact CZ3-CG 4.48Å
301D98.5Very high98.2Very high19 Ų1950.6 Ų50.610%0.10223%0.234CC..EExtended strand (participates in β ladder)trans-107.1118.4167.8-166.3-41.5000109.9F286 R303 N304 L305 L309F286-D301 CarbonylContact O-C 3.47Å; F286-D301 WeakPolarHBondContact O-CA 3.32Å; D301-R303 PolarHBondContact O-N 2.8Å; D301-R303 VanDerWaalsContact O-N 3.1Å; D301-R303 WeakPolarHBondContact OD1-CA 3.35Å; D301-R303 WeakPolarHBondContact OD1-CB 3.23Å; D301-R303 VanDerWaalsContact OD1-CG 3.27Å; D301-R303 WeakPolarHBondContact OD1-CG 3.4Å; D301-R303 IonicContact OD1-CZ 2.88Å; D301-R303 PolarHBondContact OD1-N 2.88Å; D301-R303 IonicContact OD1-NE 3.97Å; D301-R303 PolarHBondContact OD1-NE 3.13Å; D301-R303 IonicContact OD1-NH2 3.83Å; D301-R303 IonicContact OD2-CZ 2.92Å; D301-R303 VanDerWaalsContact OD2-CZ 3.29Å; D301-R303 IonicContact OD2-NE 3.63Å; D301-R303 PolarHBondContact OD2-NE 2.92Å; D301-R303 VanDerWaalsContact OD2-NE 3.12Å; D301-R303 IonicContact OD2-NH2 3.29Å; D301-R303 PolarHBondContact OD2-NH2 3.38Å; D301-N304 CarbonylContact O-C 3.59Å; D301-N304 PolarHBondContact O-N 3.16Å; D301-L305 PolarHBondContact O-N 2.76Å; D301-L305 VanDerWaalsContact O-N 3.09Å; D301-L309 HydrophobicContact CB-CD1 3.9Å; D301-L309 HydrophobicContact CB-CD2 4.14Å; D301-L309 HydrophobicContact CB-CG 4.08Å
302L97.8Very high98.2Very high30 Ų3050.6 Ų50.616%0.15723%0.234CC..G310 helixtrans-54.8-28.7176.6-85.9177.3000113.8V253 F280 F286 I288 N304 L305V253-L302 HydrophobicContact CG1-CD2 4.15Å; V253-L302 HydrophobicContact CG2-CD2 3.84Å; F280-L302 HydrophobicContact CE1-CD1 4.03Å; F286-L302 HydrophobicContact CD1-CB 4.43Å; F286-L302 PolarHBondContact O-N 2.94Å; I288-L302 HydrophobicContact CD1-CD1 4.27Å; I288-L302 HydrophobicContact CD1-CD2 3.56Å; I288-L302 HydrophobicContact CD1-CG 3.7Å; I288-L302 HydrophobicContact CG1-CG 4.22Å; L302-N304 VanDerWaalsContact C-N 3.26Å; L302-N304 PolarHBondContact O-N 2.59Å; L302-L305 HydrophobicContact CD2-CD1 4.21Å; L302-L305 HydrophobicContact CD2-CD2 4.33Å
303R97.6Very high98.1Very high172 Ų17256.3 Ų56.365%0.64926%0.26SS*.G310 helixtrans-72.2-23.2179.3-55170.5-66.3-175.61.8111.7F286 D301F286-R303 HydrophobicContact CB-CG 4.38Å; F286-R303 HydrophobicContact CD1-CG 3.46Å; F286-R303 VanDerWaalsContact CD1-CG 3.46Å; F286-R303 HydrophobicContact CE1-CG 3.81Å; F286-R303 HydrophobicContact CG-CG 3.86Å; F286-R303 HydrophobicContact CZ-CG 4.47Å; D301-R303 PolarHBondContact O-N 2.8Å; D301-R303 VanDerWaalsContact O-N 3.1Å; D301-R303 WeakPolarHBondContact OD1-CA 3.35Å; D301-R303 WeakPolarHBondContact OD1-CB 3.23Å; D301-R303 VanDerWaalsContact OD1-CG 3.27Å; D301-R303 WeakPolarHBondContact OD1-CG 3.4Å; D301-R303 IonicContact OD1-CZ 2.88Å; D301-R303 PolarHBondContact OD1-N 2.88Å; D301-R303 IonicContact OD1-NE 3.97Å; D301-R303 PolarHBondContact OD1-NE 3.13Å; D301-R303 IonicContact OD1-NH2 3.83Å; D301-R303 IonicContact OD2-CZ 2.92Å; D301-R303 VanDerWaalsContact OD2-CZ 3.29Å; D301-R303 IonicContact OD2-NE 3.63Å; D301-R303 PolarHBondContact OD2-NE 2.92Å; D301-R303 VanDerWaalsContact OD2-NE 3.12Å; D301-R303 IonicContact OD2-NH2 3.29Å; D301-R303 PolarHBondContact OD2-NH2 3.38Å
304N97.6Very high98.1Very high73 Ų7357.2 Ų57.239%0.3927%0.266SS..G310 helixtrans-151.772.2175.8-174.520.7000112.4D301 L302 R306 L307D301-N304 CarbonylContact O-C 3.59Å; D301-N304 PolarHBondContact O-N 3.16Å; L302-N304 VanDerWaalsContact C-N 3.26Å; L302-N304 PolarHBondContact O-N 2.59Å; N304-R306 PolarHBondContact O-N 3.22Å; N304-L307 WeakPolarHBondContact ND2-CD1 3.33Å; N304-L307 PolarHBondContact O-N 3.36Å
305L97.2Very high98.1Very high9 Ų956.2 Ų56.25%0.04726%0.26CS..THydrogen-bonded Turntrans-61.7-14179.3-67.8170.6000114.3L251 V253 H266 V268 W300 D301 L302 L307L251-L305 HydrophobicContact CD2-CD2 4.25Å; V253-L305 HydrophobicContact CG2-CD1 3.75Å; H266-L305 HydrophobicContact CB-CD1 3.63Å; V268-L305 HydrophobicContact CG1-CB 3.63Å; V268-L305 WeakPolarHBondContact CG1-O 3.2Å; W300-L305 HydrophobicContact CB-CD2 3.93Å; W300-L305 WeakPolarHBondContact CZ3-O 3.21Å; D301-L305 PolarHBondContact O-N 2.76Å; D301-L305 VanDerWaalsContact O-N 3.09Å; L302-L305 HydrophobicContact CD2-CD1 4.21Å; L302-L305 HydrophobicContact CD2-CD2 4.33Å; L305-L307 PolarHBondContact O-N 3.34Å
306R94.3Very high98.1Very high227 Ų22761 Ų6186%0.85728%0.275SS*.THydrogen-bonded Turntrans-68.1-17.1-179.6-61.3-178.1-179.4-173.91.1113.3N304N304-R306 PolarHBondContact O-N 3.22Å
307L96.4Very high98.1Very high113 Ų11363 Ų6359%0.59229%0.286SS*.SBendtrans-118.4120.1177.8-64.1177.2000108.3N304 L305 L309N304-L307 WeakPolarHBondContact ND2-CD1 3.33Å; N304-L307 PolarHBondContact O-N 3.36Å; L305-L307 PolarHBondContact O-N 3.34Å; L307-L309 PolarHBondContact O-N 3.37Å
308K98.1Very high98Very high80 Ų8066.5 Ų66.535%0.34830%0.302SS..EExtended strand (participates in β ladder)trans-62.6125.6164.2-175.1179.1-63.9-165.80107.4A270 A298 W300 H310A270-K308 WeakPolarHBondContact O-CE 3.41Å; A270-K308 PolarHBondContact O-NZ 2.52Å; A298-K308 HydrophobicContact CB-CD 3.74Å; A298-K308 HydrophobicContact CB-CG 4.06Å; W300-K308 HydrophobicContact CE3-CB 4.4Å; W300-K308 HydrophobicContact CH2-CB 3.91Å; W300-K308 HydrophobicContact CH2-CG 4.25Å; W300-K308 HydrophobicContact CZ2-CG 4.36Å; W300-K308 HydrophobicContact CZ3-CB 3.86Å; W300-K308 HydrophobicContact CZ3-CG 4.48Å; K308-H310 VanDerWaalsContact CG-O 3.29Å; K308-H310 WeakPolarHBondContact CG-O 3.4Å
309L98.3Very high98Very high88 Ų8866.5 Ų66.546%0.46130%0.302SS..EExtended strand (participates in β ladder)trans-72-44.4179.8-72.2-177.6000111.1I287 L299 D301 L307I287-L309 HydrophobicContact CD1-CD1 3.77Å; L299-L309 HydrophobicContact CB-CB 4.17Å; L299-L309 HydrophobicContact CD2-CB 4.2Å; L299-L309 HydrophobicContact CD2-CD1 4.13Å; L299-L309 HydrophobicContact CG-CB 4.28Å; L299-L309 HydrophobicContact CG-CD1 4.2Å; L299-L309 WeakPolarHBondContact O-CB 3.32Å; L299-L309 PolarHBondContact O-N 2.6Å; D301-L309 HydrophobicContact CB-CD1 3.9Å; D301-L309 HydrophobicContact CB-CD2 4.14Å; D301-L309 HydrophobicContact CB-CG 4.08Å; L307-L309 PolarHBondContact O-N 3.37Å
310H98.6Very high98Very high48 Ų4868.2 Ų68.222%0.22231%0.309CS..EExtended strand (participates in β ladder)trans-155.5159.9-176.6-16456.6000111.2L299 K308 F312 I349 E364L299-H310 HydrophobicContact CB-CB 4.02Å; L299-H310 HydrophobicContact CD2-CB 4.35Å; L299-H310 PolarHBondContact N-O 2.94Å; K308-H310 VanDerWaalsContact CG-O 3.29Å; K308-H310 WeakPolarHBondContact CG-O 3.4Å; H310-F312 AromaticContact CD2-CD1 3.87Å; H310-F312 AromaticContact CD2-CE1 3.77Å; H310-F312 AromaticContact CD2-CZ 3.94Å; H310-I349 HydrophobicContact CB-CD1 4.35Å; H310-E364 IonicContact CD2-OE1 2.97Å; H310-E364 IonicContact CE1-OE1 2.86Å; H310-E364 IonicContact NE2-OE1 3.64Å; H310-E364 PolarHBondContact NE2-OE1 2.96Å
311S98.5Very high98Very high28 Ų2868.3 Ų68.320%0.19631%0.31CS..EExtended strand (participates in β ladder)trans-127.4115.7174.9-171.80000107.7V297 E313V297-S311 WeakPolarHBondContact O-CA 3.31Å; S311-E313 WeakPolarHBondContact CB-OE1 3.49Å; S311-E313 PolarHBondContact OG-OE1 2.9Å
312F98.8Very high98Very high0 Ų067.4 Ų67.40%031%0.305CS..EExtended strand (participates in β ladder)trans-87.8119174.9-55.4-90.5000108.8T296 V297 L299 H310 L332 W344 L346 I349 E364T296-F312 WeakPolarHBondContact CA-O 3.31Å; V297-F312 HydrophobicContact CB-CB 4.07Å; V297-F312 HydrophobicContact CB-CD2 3.82Å; V297-F312 HydrophobicContact CB-CG 4.35Å; V297-F312 HydrophobicContact CG1-CD2 3.95Å; V297-F312 HydrophobicContact CG1-CE2 4.48Å; V297-F312 PolarHBondContact N-O 3.33Å; V297-F312 WeakPolarHBondContact O-CD2 3.35Å; V297-F312 PolarHBondContact O-N 2.82Å; L299-F312 HydrophobicContact CB-CE2 4.01Å; L299-F312 HydrophobicContact CD1-CE2 4.4Å; H310-F312 AromaticContact CD2-CD1 3.87Å; H310-F312 AromaticContact CD2-CE1 3.77Å; H310-F312 AromaticContact CD2-CZ 3.94Å; F312-L332 HydrophobicContact CE2-CD2 4.17Å; F312-W344 HydrophobicContact CB-CD2 3.99Å; F312-W344 HydrophobicContact CB-CE3 3.88Å; F312-W344 HydrophobicContact CB-CH2 3.92Å; F312-W344 HydrophobicContact CB-CZ2 4.07Å; F312-W344 HydrophobicContact CB-CZ3 3.84Å; F312-W344 HydrophobicContact CD1-CB 4.07Å; F312-W344 AromaticContact CD1-CD2 3.91Å; F312-W344 HydrophobicContact CD1-CD2 3.91Å; F312-W344 AromaticContact CD1-CE3 3.77Å; F312-W344 HydrophobicContact CD1-CE3 3.77Å; F312-W344 HydrophobicContact CD1-CG 4.06Å; F312-W344 HydrophobicContact CD1-CZ3 4.46Å; F312-W344 HydrophobicContact CE1-CB 4.13Å; F312-W344 HydrophobicContact CG-CD2 4.19Å; F312-W344 HydrophobicContact CG-CE3 4.23Å; F312-W344 HydrophobicContact CG-CG 4.48Å; F312-L346 HydrophobicContact CE1-CD1 3.94Å; F312-L346 HydrophobicContact CE1-CG 4.12Å; F312-L346 HydrophobicContact CZ-CD1 3.59Å; F312-L346 HydrophobicContact CZ-CD2 4.26Å; F312-L346 HydrophobicContact CZ-CG 3.7Å; F312-I349 HydrophobicContact CE1-CD1 4.12Å; F312-I349 HydrophobicContact CZ-CD1 4.27Å; F312-E364 HydrophobicContact CD1-CG 3.64Å; F312-E364 HydrophobicContact CE1-CB 4.47Å; F312-E364 HydrophobicContact CE1-CG 3.89Å
313E98.3Very high98.1Very high120 Ų12067.8 Ų67.856%0.56131%0.306SS*.EExtended strand (participates in β ladder)trans-127109.2-169.3-63.4-179.5-169.900109.9T296 S311 P362T296-E313 HydrophobicContact CG2-CG 4.01Å; S311-E313 WeakPolarHBondContact CB-OE1 3.49Å; S311-E313 PolarHBondContact OG-OE1 2.9Å; E313-P362 WeakPolarHBondContact O-CD 3.38Å; E313-P362 WeakPolarHBondContact O-CG 3.35Å
314S98.4Very high98.1Very high33 Ų3360.4 Ų60.423%0.23128%0.278CS..  trans-166.4-32.7172.1-173.70000111.8H342 L365S314-H342 PolarHBondContact OG-NE2 3.04Å; S314-L365 WeakPolarHBondContact OG-CD2 3.38Å
315H98.6Very high98.2Very high11 Ų1156.9 Ų56.95%0.05126%0.26CS..  trans-51.2141.1173.4-84.8-71.7000112K295 I319 S334 D338 H342 W344K295-H315 WeakPolarHBondContact O-CB 3.5Å; H315-I319 HydrophobicContact CB-CD1 4.08Å; H315-I319 HydrophobicContact CB-CG1 4.05Å; H315-S334 PolarHBondContact CD2-OG 2.92Å; H315-S334 PolarHBondContact NE2-O 2.94Å; H315-S334 PolarHBondContact NE2-OG 2.74Å; H315-D338 VanDerWaalsContact CA-OD2 3.31Å; H315-D338 WeakPolarHBondContact CA-OD2 3.36Å; H315-D338 IonicContact CE1-OD1 3.21Å; H315-D338 IonicContact CE1-OD2 3.14Å; H315-D338 IonicContact CG-OD2 3.92Å; H315-D338 IonicContact ND1-OD1 3.67Å; H315-D338 PolarHBondContact ND1-OD1 2.89Å; H315-D338 IonicContact ND1-OD2 2.92Å; H315-D338 PolarHBondContact ND1-OD2 2.89Å; H315-H342 AromaticContact CE1-CE1 3.79Å; H315-H342 AromaticContact CE1-CG 3.88Å; H315-H342 AromaticContact CE1-ND1 3.18Å; H315-H342 PolarHBondContact CE1-ND1 3.17Å; H315-H342 AromaticContact CG-CE1 4Å; H315-H342 AromaticContact CG-ND1 3.99Å; H315-H342 AromaticContact ND1-CE1 3.6Å; H315-H342 AromaticContact ND1-ND1 3.49Å; H315-H342 PolarHBondContact ND1-ND1 3.3Å; H315-H342 AromaticContact NE2-CG 3.73Å; H315-H342 AromaticContact NE2-ND1 3.52Å; H315-W344 AromaticContact CD2-CZ2 3.88Å
316R98.1Very high98.2Very high193 Ų19358.5 Ų58.573%0.72827%0.27SS*.SBendtrans-100.4-9.5-175.2-64.7-173.4177.9177.10.7113.6K295 D338K295-R316 WeakPolarHBondContact CD-O 3.38Å; K295-R316 WeakPolarHBondContact CE-O 3.38Å; K295-R316 PolarHBondContact NZ-O 2.8Å; R316-D338 HydrophobicContact CB-CB 4.12Å; R316-D338 PolarHBondContact N-OD2 2.96Å
317D98.4Very high98.4Very high60 Ų6050.3 Ų50.332%0.32124%0.242SC..SBendtrans-151.2-176.9-177.5-145.8-23000110.8T337 D338D317-T337 HydrophobicContact CB-CG2 4.38Å; D317-T337 WeakPolarHBondContact OD2-CG2 3.31Å; D317-D338 HydrophobicContact CB-CB 3.78Å
318E98.7Very high98.5Very high75 Ų7547.5 Ų47.535%0.3523%0.227SC..  trans-55.1135.6-175.8-56.6178.7-176.300113.1A293 F320 G336 T337A293-E318 HydrophobicContact CB-CB 4.32Å; A293-E318 HydrophobicContact CB-CG 3.81Å; E318-F320 HydrophobicContact CB-CD2 4.42Å; E318-F320 HydrophobicContact CB-CE2 3.84Å; E318-F320 HydrophobicContact CB-CZ 4.47Å; E318-F320 WeakPolarHBondContact OE2-CE2 3.27Å; E318-F320 VanDerWaalsContact OE2-CZ 3.27Å; E318-F320 WeakPolarHBondContact OE2-CZ 3.27Å; E318-G336 CarbonylContact O-C 3.47Å; E318-G336 VanDerWaalsContact O-CA 3.29Å; E318-G336 WeakPolarHBondContact O-CA 3.39Å; E318-T337 PolarHBondContact O-N 2.84Å
319I98.9Very high98.5Very high0 Ų049.4 Ų49.40%024%0.238CC..EExtended strand (participates in β ladder)trans-95.4130.4176-62.5159.9000108.8N276 S292 T296 V297 H315N276-I319 VanDerWaalsContact CB-O 3.27Å; N276-I319 WeakPolarHBondContact CB-O 3.45Å; N276-I319 PolarHBondContact ND2-O 3.47Å; S292-I319 PolarHBondContact O-N 3.29Å; S292-I319 VanDerWaalsContact O-N 3.09Å; T296-I319 VanDerWaalsContact C-CD1 3.43Å; T296-I319 WeakPolarHBondContact O-CD1 2.93Å; V297-I319 HydrophobicContact CG2-CD1 3.76Å; H315-I319 HydrophobicContact CB-CD1 4.08Å; H315-I319 HydrophobicContact CB-CG1 4.05Å
320F98.5Very high98.5Very high47 Ų4747.3 Ų47.321%0.20623%0.228CC..EExtended strand (participates in β ladder)trans-114.5-19.1-177.2-82.7-77.3000114.3N276 C277 E318 S335 T337 K375N276-F320 HydrophobicContact CB-CD1 4.18Å; C277-F320 WeakPolarHBondContact CB-O 3.44Å; E318-F320 HydrophobicContact CB-CD2 4.42Å; E318-F320 HydrophobicContact CB-CE2 3.84Å; E318-F320 HydrophobicContact CB-CZ 4.47Å; E318-F320 WeakPolarHBondContact OE2-CE2 3.27Å; E318-F320 VanDerWaalsContact OE2-CZ 3.27Å; E318-F320 WeakPolarHBondContact OE2-CZ 3.27Å; F320-S335 PolarHBondContact N-O 2.78Å; F320-T337 VanDerWaalsContact CE2-OG1 3.27Å; F320-T337 WeakPolarHBondContact CE2-OG1 3.36Å; F320-K375 HydrophobicContact CD2-CD 4.5Å; F320-K375 VanDerWaalsContact CD2-CE 3.48Å; F320-K375 HydrophobicContact CE2-CD 4.45Å; F320-K375 VanDerWaalsContact CE2-NZ 3.26Å
321Q98.7Very high98.5Very high8 Ų845.3 Ų45.34%0.03722%0.219CC..EExtended strand (participates in β ladder)trans-141.3142.8179.3-174.459.3-83.600110.9C277 Q323 S334 S335 D378 F379C277-Q321 VanDerWaalsContact SG-C 3.53Å; Q321-Q323 HydrophobicContact CG-CG 4.31Å; Q321-S334 CarbonylContact O-C 3.58Å; Q321-S334 WeakPolarHBondContact O-CA 3.21Å; Q321-S335 PolarHBondContact N-O 2.75Å; Q321-S335 VanDerWaalsContact N-O 3.16Å; Q321-S335 PolarHBondContact O-N 3.25Å; Q321-D378 PolarHBondContact NE2-OD1 3.27Å; Q321-F379 HydrophobicContact CB-CD1 3.93Å; Q321-F379 HydrophobicContact CB-CE1 3.71Å; Q321-F379 HydrophobicContact CG-CD1 3.57Å; Q321-F379 HydrophobicContact CG-CE1 3.35Å; Q321-F379 HydrophobicContact CG-CZ 4.15Å
322V98.9Very high98.5Very high1 Ų144 Ų441%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-139.7130.4173.769.70000109.1C277 A279 A289 V297 L332 A333C277-V322 HydrophobicContact CB-CG1 4.02Å; A279-V322 HydrophobicContact CB-CG1 4.07Å; A279-V322 WeakPolarHBondContact CB-O 3.42Å; A289-V322 HydrophobicContact CB-CG2 4.04Å; V297-V322 HydrophobicContact CG1-CG2 4.06Å; V322-L332 HydrophobicContact CG2-CD1 3.59Å; V322-L332 HydrophobicContact CG2-CD2 4.07Å; V322-L332 HydrophobicContact CG2-CG 3.95Å; V322-A333 CarbonylContact C-O 3.56Å; V322-A333 VanDerWaalsContact CA-O 3.32Å; V322-A333 WeakPolarHBondContact CA-O 3.19Å; V322-A333 WeakPolarHBondContact CG2-O 3.21Å
323Q98.9Very high98.5Very high37 Ų3744 Ų4417%0.17321%0.21CC..EExtended strand (participates in β ladder)trans-143.8131.3178.2-65.8-173.912.200111.7Q321 A333 F379 W381Q321-Q323 HydrophobicContact CG-CG 4.31Å; Q323-A333 PolarHBondContact N-O 3.13Å; Q323-A333 PolarHBondContact O-N 2.99Å; Q323-F379 HydrophobicContact CB-CE2 3.78Å; Q323-F379 HydrophobicContact CB-CZ 3.84Å; Q323-F379 HydrophobicContact CG-CE2 4.14Å; Q323-F379 HydrophobicContact CG-CZ 4.06Å; Q323-F379 PolarHBondContact NE2-O 3.29Å; Q323-F379 PolarHBondContact OE1-O 3.03Å; Q323-W381 PolarHBondContact O-NE1 3.24Å
324W98.9Very high98.5Very high17 Ų1738.2 Ų38.26%0.06418%0.183CC..EExtended strand (participates in β ladder)trans-68.9145.4169.8-68.297.1000110.9A279 F280 N281 P282 I287 A289 L299 L332 L346 W381A279-W324 PolarHBondContact O-NE1 3.14Å; F280-W324 VanDerWaalsContact C-CD1 3.42Å; N281-W324 HydrophobicContact CB-CD2 3.97Å; N281-W324 HydrophobicContact CB-CE3 4.47Å; N281-W324 HydrophobicContact CB-CG 4.31Å; N281-W324 HydrophobicContact CB-CZ2 4.17Å; N281-W324 WeakPolarHBondContact ND2-CZ3 3.39Å; P282-W324 VanDerWaalsContact CD-CB 3.44Å; P282-W324 HydrophobicContact CG-CB 4.15Å; I287-W324 HydrophobicContact CG2-CH2 3.92Å; I287-W324 HydrophobicContact CG2-CZ2 3.67Å; A289-W324 HydrophobicContact CB-CZ2 3.86Å; L299-W324 HydrophobicContact CD1-CH2 3.73Å; L299-W324 HydrophobicContact CD1-CZ2 3.77Å; W324-L332 HydrophobicContact CD2-CD1 3.61Å; W324-L332 HydrophobicContact CE3-CB 4.09Å; W324-L332 HydrophobicContact CE3-CD1 3.97Å; W324-L332 HydrophobicContact CG-CD1 3.89Å; W324-L332 HydrophobicContact CH2-CB 4.49Å; W324-L332 HydrophobicContact CH2-CD1 4.46Å; W324-L332 HydrophobicContact CH2-CD2 4.44Å; W324-L332 HydrophobicContact CZ2-CD1 4.15Å; W324-L332 HydrophobicContact CZ2-CD2 4.45Å; W324-L332 HydrophobicContact CZ3-CB 4.05Å; W324-L332 HydrophobicContact CZ3-CD1 4.39Å; W324-L346 HydrophobicContact CH2-CD1 3.97Å; W324-L346 HydrophobicContact CH2-CD2 3.7Å; W324-L346 HydrophobicContact CZ3-CD1 3.83Å; W324-L346 HydrophobicContact CZ3-CD2 4.08Å; W324-W381 VanDerWaalsContact O-CD1 3.3Å
325S98.7Very high98.6Very high0 Ų036.7 Ų36.70%017%0.172CC..  trans-58.3137.5166.2175.30000109.6H327 N328 I331S325-H327 PolarHBondContact O-N 3.2Å; S325-H327 PolarHBondContact OG-N 3.3Å; S325-H327 VanDerWaalsContact OG-N 3.13Å; S325-N328 PolarHBondContact OG-N 2.87Å; S325-I331 PolarHBondContact N-O 2.91Å
326P98.2Very high98.5Very high42 Ų4236.1 Ų36.127%0.27317%0.17SC..SBendtrans-80.2-0.5172.632.9-34.1000112.9F283 W381 I383F283-P326 WeakPolarHBondContact CZ-O 3.36Å; P326-W381 VanDerWaalsContact CD-CB 3.47Å; P326-W381 HydrophobicContact CG-CB 3.94Å; P326-I383 HydrophobicContact CB-CG1 4.28Å
327H98.1Very high98.5Very high56 Ų5628.8 Ų28.826%0.25915%0.146SC..SBendtrans-118.4-31.4-175.3-55.4113.6000114.2S325 N382 I383S325-H327 PolarHBondContact O-N 3.2Å; S325-H327 PolarHBondContact OG-N 3.3Å; S325-H327 VanDerWaalsContact OG-N 3.13Å; H327-N382 PolarHBondContact CE1-O 2.86Å; H327-I383 PolarHBondContact NE2-O 2.92Å
328N98.1Very high98.5Very high54 Ų5426.5 Ų26.529%0.28913%0.134SC..  trans-126.1124.5-174.3-61.7-58.6000110.7S325 T330 I331 W387S325-N328 PolarHBondContact OG-N 2.87Å; N328-T330 VanDerWaalsContact C-N 3.27Å; N328-T330 PolarHBondContact O-N 3.32Å; N328-I331 HydrophobicContact CB-CB 3.99Å; N328-I331 HydrophobicContact CB-CG1 3.5Å; N328-I331 VanDerWaalsContact CB-CG1 3.5Å; N328-I331 PolarHBondContact O-N 2.95Å; N328-W387 VanDerWaalsContact ND2-CZ2 3.33Å; N328-W387 WeakPolarHBondContact ND2-CZ2 2.95Å
329E97.9Very high98.5Very high120 Ų12024.6 Ų24.656%0.56112%0.124SC*.THydrogen-bonded Turntrans-65.6-23.5-174.264.4-117.8-141.200115.6N281 F283N281-E329 PolarHBondContact ND2-O 2.89Å; F283-E329 HydrophobicContact CB-CB 3.56Å; F283-E329 VanDerWaalsContact CD2-CA 3.46Å; F283-E329 HydrophobicContact CD2-CB 3.81Å; F283-E329 HydrophobicContact CG-CB 3.76Å
330T98.3Very high98.5Very high44 Ų4426.4 Ų26.427%0.2713%0.13SC..THydrogen-bonded Turntrans-97-3.6-177.564.30000113.1N328 D345 L346N328-T330 VanDerWaalsContact C-N 3.27Å; N328-T330 PolarHBondContact O-N 3.32Å; T330-D345 VanDerWaalsContact CB-OD1 3.22Å; T330-D345 WeakPolarHBondContact CB-OD1 3.3Å; T330-D345 PolarHBondContact OG1-OD1 2.95Å; T330-L346 WeakPolarHBondContact O-CB 3.29Å; T330-L346 WeakPolarHBondContact O-CD1 3.43Å; T330-L346 PolarHBondContact O-N 3.16Å
331I98.8Very high98.5Very high5 Ų524.1 Ų24.13%0.02612%0.121CC..EExtended strand (participates in β ladder)trans-99.8126.5-173-56.6-59.9000110.8S325 N328 V343 W344 D345 L366 W381 W387S325-I331 PolarHBondContact N-O 2.91Å; N328-I331 HydrophobicContact CB-CB 3.99Å; N328-I331 HydrophobicContact CB-CG1 3.5Å; N328-I331 VanDerWaalsContact CB-CG1 3.5Å; N328-I331 PolarHBondContact O-N 2.95Å; I331-V343 HydrophobicContact CG2-CG1 3.73Å; I331-W344 WeakPolarHBondContact CA-O 3.46Å; I331-D345 HydrophobicContact CD1-CB 3.61Å; I331-L366 HydrophobicContact CD1-CD2 4.15Å; I331-W381 HydrophobicContact CG2-CH2 3.77Å; I331-W381 HydrophobicContact CG2-CZ2 3.94Å; I331-W387 HydrophobicContact CB-CH2 4.45Å; I331-W387 HydrophobicContact CD1-CH2 3.69Å; I331-W387 HydrophobicContact CD1-CZ3 4.24Å; I331-W387 HydrophobicContact CG1-CH2 3.59Å; I331-W387 HydrophobicContact CG1-CZ2 4.43Å; I331-W387 HydrophobicContact CG1-CZ3 4.11Å; I331-W387 HydrophobicContact CG2-CH2 4.12Å; I331-W387 HydrophobicContact CG2-CZ3 3.72Å
332L98.8Very high98.5Very high0 Ų024 Ų240%012%0.12CC..EExtended strand (participates in β ladder)trans-127.6147.3178.7-176.165.1000109A289 V297 F312 V322 W324 V343 W344 L346A289-L332 HydrophobicContact CB-CD1 4.06Å; A289-L332 HydrophobicContact CB-CD2 3.75Å; V297-L332 HydrophobicContact CG1-CD2 3.88Å; F312-L332 HydrophobicContact CE2-CD2 4.17Å; V322-L332 HydrophobicContact CG2-CD1 3.59Å; V322-L332 HydrophobicContact CG2-CD2 4.07Å; V322-L332 HydrophobicContact CG2-CG 3.95Å; W324-L332 HydrophobicContact CD2-CD1 3.61Å; W324-L332 HydrophobicContact CE3-CB 4.09Å; W324-L332 HydrophobicContact CE3-CD1 3.97Å; W324-L332 HydrophobicContact CG-CD1 3.89Å; W324-L332 HydrophobicContact CH2-CB 4.49Å; W324-L332 HydrophobicContact CH2-CD1 4.46Å; W324-L332 HydrophobicContact CH2-CD2 4.44Å; W324-L332 HydrophobicContact CZ2-CD1 4.15Å; W324-L332 HydrophobicContact CZ2-CD2 4.45Å; W324-L332 HydrophobicContact CZ3-CB 4.05Å; W324-L332 HydrophobicContact CZ3-CD1 4.39Å; L332-V343 CarbonylContact O-C 3.57Å; L332-V343 WeakPolarHBondContact O-CA 3.24Å; L332-W344 HydrophobicContact CB-CB 4.33Å; L332-W344 PolarHBondContact N-O 3.41Å; L332-W344 PolarHBondContact O-N 3.39Å; L332-L346 HydrophobicContact CB-CD1 4.18Å
333A98.9Very high98.5Very high0 Ų023.9 Ų23.90%012%0.119CC..EExtended strand (participates in β ladder)trans-124.9151.4167.800000111.3V322 Q323 L341 H342 V343 F379 W381V322-A333 CarbonylContact C-O 3.56Å; V322-A333 VanDerWaalsContact CA-O 3.32Å; V322-A333 WeakPolarHBondContact CA-O 3.19Å; V322-A333 WeakPolarHBondContact CG2-O 3.21Å; Q323-A333 PolarHBondContact N-O 3.13Å; Q323-A333 PolarHBondContact O-N 2.99Å; A333-L341 HydrophobicContact CB-CD2 3.96Å; A333-H342 CarbonylContact C-O 3.52Å; A333-H342 WeakPolarHBondContact CA-O 3.37Å; A333-V343 HydrophobicContact CB-CG2 4.35Å; A333-F379 HydrophobicContact CB-CE2 3.59Å; A333-F379 HydrophobicContact CB-CZ 3.67Å; A333-F379 WeakPolarHBondContact O-CZ 3.47Å; A333-W381 HydrophobicContact CB-CZ2 3.56Å
334S98.9Very high98.5Very high0 Ų022.1 Ų22.10%011%0.111CC..EExtended strand (participates in β ladder)trans-143.4149.8174.456.80000112.1H315 Q321 L341 H342 W344H315-S334 PolarHBondContact CD2-OG 2.92Å; H315-S334 PolarHBondContact NE2-O 2.94Å; H315-S334 PolarHBondContact NE2-OG 2.74Å; Q321-S334 CarbonylContact O-C 3.58Å; Q321-S334 WeakPolarHBondContact O-CA 3.21Å; S334-L341 CarbonylContact O-C 3.53Å; S334-L341 VanDerWaalsContact O-CA 3.28Å; S334-L341 WeakPolarHBondContact O-CA 3.34Å; S334-H342 PolarHBondContact N-O 3.41Å; S334-H342 PolarHBondContact O-N 3.47Å; S334-W344 PolarHBondContact OG-NE1 3.36Å
335S98.9Very high98.5Very high0 Ų022 Ų220%011%0.112CC..EExtended strand (participates in β ladder)trans-146.9160.6179.5700000112.4F320 Q321 R340 F379F320-S335 PolarHBondContact N-O 2.78Å; Q321-S335 PolarHBondContact N-O 2.75Å; Q321-S335 VanDerWaalsContact N-O 3.16Å; Q321-S335 PolarHBondContact O-N 3.25Å; S335-R340 WeakPolarHBondContact CA-O 3.3Å; S335-F379 WeakPolarHBondContact OG-CD1 3.47Å
336G97.3Very high98.4Very high0 Ų023.6 Ų23.60%012%0.12CC..EExtended strand (participates in β ladder)trans-175.4-141.8174.900000115.4E318 D338 R339 I376E318-G336 CarbonylContact O-C 3.47Å; E318-G336 VanDerWaalsContact O-CA 3.29Å; E318-G336 WeakPolarHBondContact O-CA 3.39Å; G336-D338 VanDerWaalsContact C-N 3.34Å; G336-D338 PolarHBondContact O-N 3.38Å; G336-R339 PolarHBondContact O-N 3.33Å; G336-I376 PolarHBondContact O-N 2.85Å; G336-I376 VanDerWaalsContact O-N 3.13Å
337T98.4Very high98.4Very high38 Ų3825 Ų2523%0.23313%0.131CC..THydrogen-bonded Turntrans-70.6-27.1-170.7-570000113.2D317 E318 F320 R339D317-T337 HydrophobicContact CB-CG2 4.38Å; D317-T337 WeakPolarHBondContact OD2-CG2 3.31Å; E318-T337 PolarHBondContact O-N 2.84Å; F320-T337 VanDerWaalsContact CE2-OG1 3.27Å; F320-T337 WeakPolarHBondContact CE2-OG1 3.36Å; T337-R339 PolarHBondContact O-N 2.82Å
338D97.9Very high98.3Very high13 Ų1324 Ų247%0.0713%0.126CC..THydrogen-bonded Turntrans-70.52.3179.668.52.7000114.4H315 R316 D317 G336 R340H315-D338 VanDerWaalsContact CA-OD2 3.31Å; H315-D338 WeakPolarHBondContact CA-OD2 3.36Å; H315-D338 IonicContact CE1-OD1 3.21Å; H315-D338 IonicContact CE1-OD2 3.14Å; H315-D338 IonicContact CG-OD2 3.92Å; H315-D338 IonicContact ND1-OD1 3.67Å; H315-D338 PolarHBondContact ND1-OD1 2.89Å; H315-D338 IonicContact ND1-OD2 2.92Å; H315-D338 PolarHBondContact ND1-OD2 2.89Å; R316-D338 HydrophobicContact CB-CB 4.12Å; R316-D338 PolarHBondContact N-OD2 2.96Å; D317-D338 HydrophobicContact CB-CB 3.78Å; G336-D338 VanDerWaalsContact C-N 3.34Å; G336-D338 PolarHBondContact O-N 3.38Å; D338-R340 PolarHBondContact O-N 3.38Å; D338-R340 WeakPolarHBondContact OD1-CB 3.38Å; D338-R340 PolarHBondContact OD1-N 3.32Å
339R98.2Very high98.3Very high35 Ų3524.4 Ų24.413%0.13213%0.127CC..SBendtrans65.222.3177.5-39.4172-74-89.24112.6E13 I17 G336 T337 T373 A374E13-R339 IonicContact OE1-CZ 2.91Å; E13-R339 IonicContact OE1-NH1 3.05Å; E13-R339 PolarHBondContact OE1-NH1 2.98Å; I17-R339 VanDerWaalsContact CG1-CZ 3.45Å; G336-R339 PolarHBondContact O-N 3.33Å; T337-R339 PolarHBondContact O-N 2.82Å; R339-T373 WeakPolarHBondContact CD-O 3.5Å; R339-A374 WeakPolarHBondContact CB-O 3.39Å; R339-A374 WeakPolarHBondContact CG-O 3.48Å
340R98.4Very high98.2Very high37 Ų3721.9 Ų21.914%0.1413%0.134CC..  trans-120.2141.7178.4-59.1-59.1175.6-107.71.4110.2E20 S335 D338 I368 H369E20-R340 IonicContact OE2-CZ 3.78Å; E20-R340 IonicContact OE2-NH2 2.68Å; E20-R340 PolarHBondContact OE2-NH2 3.3Å; S335-R340 WeakPolarHBondContact CA-O 3.3Å; D338-R340 PolarHBondContact O-N 3.38Å; D338-R340 WeakPolarHBondContact OD1-CB 3.38Å; D338-R340 PolarHBondContact OD1-N 3.32Å; R340-I368 HydrophobicContact CB-CG2 4.02Å; R340-I368 HydrophobicContact CG-CG2 4.08Å; R340-H369 WeakPolarHBondContact CA-O 3.29Å
341L98.8Very high98.1Very high0 Ų024.3 Ų24.30%014%0.144CC..EExtended strand (participates in β ladder)trans-110.3114.6165.2-174.9161.5000107.7A333 S334 V343 H369 I376 F379 I389 W401A333-L341 HydrophobicContact CB-CD2 3.96Å; S334-L341 CarbonylContact O-C 3.53Å; S334-L341 VanDerWaalsContact O-CA 3.28Å; S334-L341 WeakPolarHBondContact O-CA 3.34Å; L341-V343 HydrophobicContact CD2-CG2 3.89Å; L341-H369 HydrophobicContact CB-CB 4.18Å; L341-H369 PolarHBondContact N-O 3.26Å; L341-H369 VanDerWaalsContact N-O 3.1Å; L341-H369 PolarHBondContact O-N 2.81Å; L341-I376 HydrophobicContact CB-CD1 3.91Å; L341-F379 HydrophobicContact CD1-CB 3.71Å; L341-F379 HydrophobicContact CD1-CD1 3.79Å; L341-F379 HydrophobicContact CD1-CD2 3.78Å; L341-F379 HydrophobicContact CD1-CE1 4.32Å; L341-F379 HydrophobicContact CD1-CE2 4.34Å; L341-F379 HydrophobicContact CD1-CG 3.48Å; L341-F379 VanDerWaalsContact CD1-CG 3.48Å; L341-I389 HydrophobicContact CD1-CG2 4.18Å; L341-I389 HydrophobicContact CD2-CD1 4.33Å; L341-W401 HydrophobicContact CB-CZ2 4.49Å; L341-W401 HydrophobicContact CD1-CZ2 3.99Å; L341-W401 HydrophobicContact CD2-CH2 3.78Å; L341-W401 HydrophobicContact CD2-CZ2 3.69Å; L341-W401 HydrophobicContact CG-CZ2 4.26Å
342H98.9Very high98Very high4 Ų431.8 Ų31.82%0.01918%0.184CC..EExtended strand (participates in β ladder)trans-91.6136.2178.1-6956.3000108.9S314 H315 A333 S334 W344 L365 F367S314-H342 PolarHBondContact OG-NE2 3.04Å; H315-H342 AromaticContact CE1-CE1 3.79Å; H315-H342 AromaticContact CE1-CG 3.88Å; H315-H342 AromaticContact CE1-ND1 3.18Å; H315-H342 PolarHBondContact CE1-ND1 3.17Å; H315-H342 AromaticContact CG-CE1 4Å; H315-H342 AromaticContact CG-ND1 3.99Å; H315-H342 AromaticContact ND1-CE1 3.6Å; H315-H342 AromaticContact ND1-ND1 3.49Å; H315-H342 PolarHBondContact ND1-ND1 3.3Å; H315-H342 AromaticContact NE2-CG 3.73Å; H315-H342 AromaticContact NE2-ND1 3.52Å; A333-H342 CarbonylContact C-O 3.52Å; A333-H342 WeakPolarHBondContact CA-O 3.37Å; S334-H342 PolarHBondContact N-O 3.41Å; S334-H342 PolarHBondContact O-N 3.47Å; H342-W344 HydrophobicContact CB-CD2 4.4Å; H342-W344 HydrophobicContact CB-CH2 4.34Å; H342-W344 HydrophobicContact CB-CZ2 3.53Å; H342-W344 AromaticContact CD2-CH2 3.87Å; H342-W344 AromaticContact CD2-CZ2 3.83Å; H342-W344 AromaticContact CG-CZ2 3.89Å; H342-L365 HydrophobicContact CB-CD1 4.03Å; H342-L365 VanDerWaalsContact CD2-CD1 3.45Å; H342-L365 WeakPolarHBondContact CD2-CD1 3.47Å; H342-F367 CarbonylContact C-O 3.57Å; H342-F367 WeakPolarHBondContact CA-O 3.4Å
343V98.9Very high97.8Very high0 Ų035.5 Ų35.50%020%0.201CC..EExtended strand (participates in β ladder)trans-109.1129.7166.7-173.50000107.6I331 L332 A333 L341 L366 F367 W381 W387 I389 W401 M403I331-V343 HydrophobicContact CG2-CG1 3.73Å; L332-V343 CarbonylContact O-C 3.57Å; L332-V343 WeakPolarHBondContact O-CA 3.24Å; A333-V343 HydrophobicContact CB-CG2 4.35Å; L341-V343 HydrophobicContact CD2-CG2 3.89Å; V343-L366 HydrophobicContact CG1-CD2 4.26Å; V343-L366 WeakPolarHBondContact O-CA 3.46Å; V343-L366 WeakPolarHBondContact O-CB 3.38Å; V343-L366 PolarHBondContact O-N 3.09Å; V343-F367 HydrophobicContact CB-CB 4.14Å; V343-F367 HydrophobicContact CG2-CB 4.44Å; V343-F367 PolarHBondContact N-O 3.15Å; V343-F367 PolarHBondContact O-N 2.95Å; V343-F367 VanDerWaalsContact O-N 3.12Å; V343-W381 HydrophobicContact CG1-CH2 4.01Å; V343-W381 HydrophobicContact CG1-CZ2 4.36Å; V343-W381 HydrophobicContact CG2-CH2 4.45Å; V343-W387 HydrophobicContact CG1-CZ3 4.41Å; V343-I389 HydrophobicContact CG2-CD1 4.43Å; V343-W401 HydrophobicContact CG2-CH2 4.2Å; V343-M403 HydrophobicContact CB-CE 3.98Å; V343-M403 HydrophobicContact CG1-CE 3.96Å; V343-M403 HydrophobicContact CG2-CE 3.7Å
344W98.8Very high97.6Very high0 Ų039.1 Ų39.10%022%0.224CC..EExtended strand (participates in β ladder)trans-114.6141.9-175.6-45.190.9000110F312 H315 I331 L332 S334 H342 P362 E364 L365F312-W344 HydrophobicContact CB-CD2 3.99Å; F312-W344 HydrophobicContact CB-CE3 3.88Å; F312-W344 HydrophobicContact CB-CH2 3.92Å; F312-W344 HydrophobicContact CB-CZ2 4.07Å; F312-W344 HydrophobicContact CB-CZ3 3.84Å; F312-W344 HydrophobicContact CD1-CB 4.07Å; F312-W344 AromaticContact CD1-CD2 3.91Å; F312-W344 HydrophobicContact CD1-CD2 3.91Å; F312-W344 AromaticContact CD1-CE3 3.77Å; F312-W344 HydrophobicContact CD1-CE3 3.77Å; F312-W344 HydrophobicContact CD1-CG 4.06Å; F312-W344 HydrophobicContact CD1-CZ3 4.46Å; F312-W344 HydrophobicContact CE1-CB 4.13Å; F312-W344 HydrophobicContact CG-CD2 4.19Å; F312-W344 HydrophobicContact CG-CE3 4.23Å; F312-W344 HydrophobicContact CG-CG 4.48Å; H315-W344 AromaticContact CD2-CZ2 3.88Å; I331-W344 WeakPolarHBondContact CA-O 3.46Å; L332-W344 HydrophobicContact CB-CB 4.33Å; L332-W344 PolarHBondContact N-O 3.41Å; L332-W344 PolarHBondContact O-N 3.39Å; S334-W344 PolarHBondContact OG-NE1 3.36Å; H342-W344 HydrophobicContact CB-CD2 4.4Å; H342-W344 HydrophobicContact CB-CH2 4.34Å; H342-W344 HydrophobicContact CB-CZ2 3.53Å; H342-W344 AromaticContact CD2-CH2 3.87Å; H342-W344 AromaticContact CD2-CZ2 3.83Å; H342-W344 AromaticContact CG-CZ2 3.89Å; W344-P362 HydrophobicContact CZ3-CG 4.25Å; W344-E364 CarbonylContact C-O 3.48Å; W344-E364 WeakPolarHBondContact CA-O 3.21Å; W344-E364 HydrophobicContact CE3-CG 4.35Å; W344-L365 HydrophobicContact CD2-CD1 4.44Å; W344-L365 HydrophobicContact CE3-CB 4.17Å; W344-L365 HydrophobicContact CE3-CD1 3.97Å; W344-L365 HydrophobicContact CH2-CD1 4.28Å; W344-L365 HydrophobicContact CZ3-CB 4.04Å; W344-L365 HydrophobicContact CZ3-CD1 3.89Å; W344-L365 HydrophobicContact CZ3-CG 4.43Å
345D98.5Very high97.4Very high15 Ų1543 Ų438%0.0826%0.255CS..EExtended strand (participates in β ladder)trans-118.2107.3169.3-176.27000110.9T330 I331 S347 K348 E364 L366T330-D345 VanDerWaalsContact CB-OD1 3.22Å; T330-D345 WeakPolarHBondContact CB-OD1 3.3Å; T330-D345 PolarHBondContact OG1-OD1 2.95Å; I331-D345 HydrophobicContact CD1-CB 3.61Å; D345-S347 PolarHBondContact O-N 3.4Å; D345-S347 VanDerWaalsContact O-N 3.13Å; D345-S347 VanDerWaalsContact OD1-CB 3.26Å; D345-S347 WeakPolarHBondContact OD1-CB 3.48Å; D345-S347 PolarHBondContact OD1-N 3.06Å; D345-S347 PolarHBondContact OD1-OG 3.1Å; D345-S347 VanDerWaalsContact OD1-OG 3.08Å; D345-S347 PolarHBondContact OD2-OG 2.84Å; D345-K348 HydrophobicContact CB-CG 4.27Å; D345-K348 PolarHBondContact O-N 3.1Å; D345-K348 VanDerWaalsContact O-N 3.09Å; D345-E364 PolarHBondContact N-O 2.84Å; D345-E364 WeakPolarHBondContact O-CA 3.47Å; D345-E364 VanDerWaalsContact O-CB 3.25Å; D345-E364 WeakPolarHBondContact O-CB 3.49Å; D345-L366 HydrophobicContact CB-CB 4.34Å; D345-L366 HydrophobicContact CB-CD2 4.42Å
346L98Very high97.3Very high33 Ų3350.5 Ų50.517%0.17329%0.29CS..G310 helixtrans-60.9-22.3178.8-8175.3000113L299 F312 W324 T330 L332 K348 I349L299-L346 HydrophobicContact CD1-CD2 3.92Å; L299-L346 HydrophobicContact CD2-CD2 3.51Å; L299-L346 HydrophobicContact CG-CD2 4.38Å; F312-L346 HydrophobicContact CE1-CD1 3.94Å; F312-L346 HydrophobicContact CE1-CG 4.12Å; F312-L346 HydrophobicContact CZ-CD1 3.59Å; F312-L346 HydrophobicContact CZ-CD2 4.26Å; F312-L346 HydrophobicContact CZ-CG 3.7Å; W324-L346 HydrophobicContact CH2-CD1 3.97Å; W324-L346 HydrophobicContact CH2-CD2 3.7Å; W324-L346 HydrophobicContact CZ3-CD1 3.83Å; W324-L346 HydrophobicContact CZ3-CD2 4.08Å; T330-L346 WeakPolarHBondContact O-CB 3.29Å; T330-L346 WeakPolarHBondContact O-CD1 3.43Å; T330-L346 PolarHBondContact O-N 3.16Å; L332-L346 HydrophobicContact CB-CD1 4.18Å; L346-K348 PolarHBondContact O-N 3.21Å; L346-I349 HydrophobicContact CB-CD1 4.16Å; L346-I349 HydrophobicContact CG-CD1 4.06Å; L346-I349 WeakPolarHBondContact O-CG1 3.39Å; L346-I349 PolarHBondContact O-N 2.97Å
347S97.3Very high97.1Very high72 Ų7254.1 Ų54.150%0.50331%0.31SS..G310 helixtrans-66.1-23.4178.387.40000112.4D345D345-S347 PolarHBondContact O-N 3.4Å; D345-S347 VanDerWaalsContact O-N 3.13Å; D345-S347 VanDerWaalsContact OD1-CB 3.26Å; D345-S347 WeakPolarHBondContact OD1-CB 3.48Å; D345-S347 PolarHBondContact OD1-N 3.06Å; D345-S347 PolarHBondContact OD1-OG 3.1Å; D345-S347 VanDerWaalsContact OD1-OG 3.08Å; D345-S347 PolarHBondContact OD2-OG 2.84Å
348K96.9Very high96.9Very high35 Ų3554.9 Ų54.915%0.15232%0.32CS..G310 helixtrans-94.20.2-177.3-51.7-164.3-172.9-147.10114D345 L346 G350 I351 P363 D410D345-K348 HydrophobicContact CB-CG 4.27Å; D345-K348 PolarHBondContact O-N 3.1Å; D345-K348 VanDerWaalsContact O-N 3.09Å; L346-K348 PolarHBondContact O-N 3.21Å; K348-G350 PolarHBondContact O-N 3.16Å; K348-I351 HydrophobicContact CB-CD1 3.87Å; K348-I351 HydrophobicContact CB-CG1 4.49Å; K348-I351 HydrophobicContact CG-CD1 4.09Å; K348-I351 WeakPolarHBondContact O-CB 3.18Å; K348-I351 WeakPolarHBondContact O-CG1 3.42Å; K348-I351 PolarHBondContact O-N 3.04Å; K348-I351 VanDerWaalsContact O-N 3.15Å; K348-P363 VanDerWaalsContact CB-O 3.3Å; K348-P363 WeakPolarHBondContact CB-O 3.21Å; K348-P363 WeakPolarHBondContact O-CB 3.32Å; K348-P363 WeakPolarHBondContact O-CG 3.12Å; K348-D410 VanDerWaalsContact NZ-CG 3.31Å; K348-D410 IonicContact NZ-OD1 2.8Å; K348-D410 PolarHBondContact NZ-OD1 3.06Å; K348-D410 IonicContact NZ-OD2 3.99Å; K348-D410 PolarHBondContact NZ-OD2 3.2Å
349I97.7Very high96.7Very high62 Ų6261.3 Ų61.332%0.31835%0.354SS..THydrogen-bonded Turntrans-58.2122.7176.4-67.4170.8000110H310 F312 L346 I351 E364H310-I349 HydrophobicContact CB-CD1 4.35Å; F312-I349 HydrophobicContact CE1-CD1 4.12Å; F312-I349 HydrophobicContact CZ-CD1 4.27Å; L346-I349 HydrophobicContact CB-CD1 4.16Å; L346-I349 HydrophobicContact CG-CD1 4.06Å; L346-I349 WeakPolarHBondContact O-CG1 3.39Å; L346-I349 PolarHBondContact O-N 2.97Å; I349-I351 VanDerWaalsContact C-N 3.34Å; I349-E364 HydrophobicContact CG1-CB 3.7Å; I349-E364 HydrophobicContact CG1-CG 3.98Å
350G95.7Very high96.5Very high67 Ų6766 Ų6669%0.69138%0.382SS*.THydrogen-bonded Turntrans79.310.6176.300000115.2K348K348-G350 PolarHBondContact O-N 3.16Å
351I96.1Very high96.4Very high95 Ų9564.9 Ų64.949%0.48738%0.383SS..  trans-68.1138.6167-65.9-175.9000109.3K348 I349 P363K348-I351 HydrophobicContact CB-CD1 3.87Å; K348-I351 HydrophobicContact CB-CG1 4.49Å; K348-I351 HydrophobicContact CG-CD1 4.09Å; K348-I351 WeakPolarHBondContact O-CB 3.18Å; K348-I351 WeakPolarHBondContact O-CG1 3.42Å; K348-I351 PolarHBondContact O-N 3.04Å; K348-I351 VanDerWaalsContact O-N 3.15Å; I349-I351 VanDerWaalsContact C-N 3.34Å; I351-P363 HydrophobicContact CB-CB 4.25Å
352D95.5Very high96.4Very high162 Ų16266.4 Ų66.487%0.86639%0.392SS*.  trans-68.2133.5175.7-70.7-37.7000110.7
353Q95.2Very high96.3Very high77 Ų7767.5 Ų67.536%0.3640%0.4SS..  trans-114.8158.8176.2-78.1176.5-6200111.5D357 G361 P363Q353-D357 HydrophobicContact CB-CB 4.16Å; Q353-D357 HydrophobicContact CG-CB 4.3Å; Q353-G361 PolarHBondContact NE2-O 3.2Å; Q353-G361 PolarHBondContact OE1-O 3.35Å; Q353-P363 HydrophobicContact CG-CB 3.91Å; Q353-P363 VanDerWaalsContact OE1-N 3.15Å
354T95.5Very high96.3Very high77 Ų7767.9 Ų67.947%0.47240%0.402SS..  trans-68.6162.8164.775.90000110.1E356 D357 A358T354-E356 PolarHBondContact O-N 3.46Å; T354-E356 PolarHBondContact OG1-N 3.12Å; T354-D357 WeakPolarHBondContact CB-OD2 3.42Å; T354-D357 WeakPolarHBondContact CG2-OD2 3.49Å; T354-D357 PolarHBondContact N-OD2 3.44Å; T354-D357 PolarHBondContact O-N 3.12Å; T354-D357 PolarHBondContact OG1-N 2.8Å; T354-D357 PolarHBondContact OG1-OD2 2.84Å; T354-A358 WeakPolarHBondContact O-CB 3.41Å; T354-A358 PolarHBondContact O-N 2.74Å; T354-A358 VanDerWaalsContact O-N 3.08Å
355A95.2Very high96.2Very high80 Ų8069.2 Ų69.266%0.66141%0.408SS*.Hα-helixtrans-63.9-29.1176.200000112.4D359A355-D359 PolarHBondContact O-N 3.19Å
356E94.8Very high96.2Very high159 Ų15969.7 Ų69.774%0.74341%0.411SS*.Hα-helixtrans-71.2-45.5177.8-64.7178.3-176.300110.5T354 A358 D359T354-E356 PolarHBondContact O-N 3.46Å; T354-E356 PolarHBondContact OG1-N 3.12Å; E356-A358 VanDerWaalsContact C-N 3.32Å; E356-A358 PolarHBondContact O-N 3.47Å; E356-D359 WeakPolarHBondContact O-CB 3.16Å; E356-D359 PolarHBondContact O-N 2.88Å
357D94.1Very high96.2Very high75 Ų7568.8 Ų68.840%0.40141%0.406SS..Hα-helixtrans-66.7-34178.3-53.6-51.9000112.2Q353 T354 D359 D360 G361Q353-D357 HydrophobicContact CB-CB 4.16Å; Q353-D357 HydrophobicContact CG-CB 4.3Å; T354-D357 WeakPolarHBondContact CB-OD2 3.42Å; T354-D357 WeakPolarHBondContact CG2-OD2 3.49Å; T354-D357 PolarHBondContact N-OD2 3.44Å; T354-D357 PolarHBondContact O-N 3.12Å; T354-D357 PolarHBondContact OG1-N 2.8Å; T354-D357 PolarHBondContact OG1-OD2 2.84Å; D357-D359 PolarHBondContact O-N 2.81Å; D357-D360 PolarHBondContact O-N 2.8Å; D357-D360 VanDerWaalsContact O-N 3.1Å; D357-G361 PolarHBondContact O-N 2.89Å
358A94.5Very high96.3Very high55 Ų5568.4 Ų68.446%0.45540%0.397SS..Hα-helixtrans-67.6-22.3177.800000113.1T354 E356 D360T354-A358 WeakPolarHBondContact O-CB 3.41Å; T354-A358 PolarHBondContact O-N 2.74Å; T354-A358 VanDerWaalsContact O-N 3.08Å; E356-A358 VanDerWaalsContact C-N 3.32Å; E356-A358 PolarHBondContact O-N 3.47Å; A358-D360 VanDerWaalsContact C-N 3.31Å
359D94.4Very high96.3Very high148 Ų14866.8 Ų66.879%0.79139%0.39SS*.Hα-helixtrans-73.6-24.7173-77.7-18.6000111.7A355 E356 D357A355-D359 PolarHBondContact O-N 3.19Å; E356-D359 WeakPolarHBondContact O-CB 3.16Å; E356-D359 PolarHBondContact O-N 2.88Å; D357-D359 PolarHBondContact O-N 2.81Å
360D93.7Very high96.3Very high132 Ų13264.7 Ų64.771%0.70638%0.382SS*.Hα-helixtrans-84.6-26178.5-73.5-29.8000112.9D357 A358D357-D360 PolarHBondContact O-N 2.8Å; D357-D360 VanDerWaalsContact O-N 3.1Å; A358-D360 VanDerWaalsContact C-N 3.31Å
361G95.8Very high96.3Very high15 Ų1561.6 Ų61.616%0.15535%0.35CS..  trans154.4178.9175.500000113.6Q353 D357Q353-G361 PolarHBondContact NE2-O 3.2Å; Q353-G361 PolarHBondContact OE1-O 3.35Å; D357-G361 PolarHBondContact O-N 2.89Å
362P97.8Very high96.4Very high31 Ų3157.1 Ų57.120%0.20133%0.327CS..  trans-68.7159.2178.333.4-38000111.4E313 W344 E364 L365E313-P362 WeakPolarHBondContact O-CD 3.38Å; E313-P362 WeakPolarHBondContact O-CG 3.35Å; W344-P362 HydrophobicContact CZ3-CG 4.25Å; P362-E364 WeakPolarHBondContact CB-OE1 3.48Å; P362-E364 PolarHBondContact O-N 2.77Å; P362-L365 HydrophobicContact CG-CB 4.12Å; P362-L365 VanDerWaalsContact O-CB 3.32Å; P362-L365 WeakPolarHBondContact O-CB 3.28Å; P362-L365 PolarHBondContact O-N 3.49Å
363P97.7Very high96.5Very high27 Ų2751.4 Ų51.418%0.17530%0.298CS..THydrogen-bonded Turntrans-65.2-26.2-173.126-33.4000113.5K348 I351 Q353 L365K348-P363 VanDerWaalsContact CB-O 3.3Å; K348-P363 WeakPolarHBondContact CB-O 3.21Å; K348-P363 WeakPolarHBondContact O-CB 3.32Å; K348-P363 WeakPolarHBondContact O-CG 3.12Å; I351-P363 HydrophobicContact CB-CB 4.25Å; Q353-P363 HydrophobicContact CG-CB 3.91Å; Q353-P363 VanDerWaalsContact OE1-N 3.15Å; P363-L365 VanDerWaalsContact C-N 3.26Å; P363-L365 PolarHBondContact O-N 3.49Å
364E98.3Very high96.6Very high9 Ų948.7 Ų48.74%0.04229%0.289CS..THydrogen-bonded Turntrans-76.9-5.7174.768.2-85.6-165.200114.4H310 F312 W344 D345 I349 P362 L366H310-E364 IonicContact CD2-OE1 2.97Å; H310-E364 IonicContact CE1-OE1 2.86Å; H310-E364 IonicContact NE2-OE1 3.64Å; H310-E364 PolarHBondContact NE2-OE1 2.96Å; F312-E364 HydrophobicContact CD1-CG 3.64Å; F312-E364 HydrophobicContact CE1-CB 4.47Å; F312-E364 HydrophobicContact CE1-CG 3.89Å; W344-E364 CarbonylContact C-O 3.48Å; W344-E364 WeakPolarHBondContact CA-O 3.21Å; W344-E364 HydrophobicContact CE3-CG 4.35Å; D345-E364 PolarHBondContact N-O 2.84Å; D345-E364 WeakPolarHBondContact O-CA 3.47Å; D345-E364 VanDerWaalsContact O-CB 3.25Å; D345-E364 WeakPolarHBondContact O-CB 3.49Å; I349-E364 HydrophobicContact CG1-CB 3.7Å; I349-E364 HydrophobicContact CG1-CG 3.98Å; P362-E364 WeakPolarHBondContact CB-OE1 3.48Å; P362-E364 PolarHBondContact O-N 2.77Å; E364-L366 PolarHBondContact O-N 2.79Å
365L98.4Very high96.7Very high27 Ų2747.4 Ų47.414%0.14128%0.277CS..EExtended strand (participates in β ladder)trans-79.399.1172.4179.753.8000110S314 H342 W344 P362 P363 I368S314-L365 WeakPolarHBondContact OG-CD2 3.38Å; H342-L365 HydrophobicContact CB-CD1 4.03Å; H342-L365 VanDerWaalsContact CD2-CD1 3.45Å; H342-L365 WeakPolarHBondContact CD2-CD1 3.47Å; W344-L365 HydrophobicContact CD2-CD1 4.44Å; W344-L365 HydrophobicContact CE3-CB 4.17Å; W344-L365 HydrophobicContact CE3-CD1 3.97Å; W344-L365 HydrophobicContact CH2-CD1 4.28Å; W344-L365 HydrophobicContact CZ3-CB 4.04Å; W344-L365 HydrophobicContact CZ3-CD1 3.89Å; W344-L365 HydrophobicContact CZ3-CG 4.43Å; P362-L365 HydrophobicContact CG-CB 4.12Å; P362-L365 VanDerWaalsContact O-CB 3.32Å; P362-L365 WeakPolarHBondContact O-CB 3.28Å; P362-L365 PolarHBondContact O-N 3.49Å; P363-L365 VanDerWaalsContact C-N 3.26Å; P363-L365 PolarHBondContact O-N 3.49Å; L365-I368 HydrophobicContact CD1-CG1 4.01Å; L365-I368 HydrophobicContact CD2-CD1 3.79Å; L365-I368 HydrophobicContact CD2-CG1 4.02Å; L365-I368 HydrophobicContact CG-CG1 4.25Å
366L97.8Very high96.9Very high26 Ų2643.6 Ų43.614%0.13625%0.245CC..EExtended strand (participates in β ladder)trans-79.3-44.4-175.5-17865.5000112.5I331 V343 D345 E364 W387 M403 I407I331-L366 HydrophobicContact CD1-CD2 4.15Å; V343-L366 HydrophobicContact CG1-CD2 4.26Å; V343-L366 WeakPolarHBondContact O-CA 3.46Å; V343-L366 WeakPolarHBondContact O-CB 3.38Å; V343-L366 PolarHBondContact O-N 3.09Å; D345-L366 HydrophobicContact CB-CB 4.34Å; D345-L366 HydrophobicContact CB-CD2 4.42Å; E364-L366 PolarHBondContact O-N 2.79Å; L366-W387 HydrophobicContact CD2-CH2 4.04Å; L366-W387 HydrophobicContact CD2-CZ3 4Å; L366-M403 HydrophobicContact CD2-SD 4.31Å; L366-I407 HydrophobicContact CD1-CG2 4.2Å; L366-I407 WeakPolarHBondContact CD1-O 3.1Å; L366-I407 HydrophobicContact CG-CG2 4.28Å
367F98.3Very high97.1Very high14 Ų1436.8 Ų36.86%0.06122%0.215CC..EExtended strand (participates in β ladder)trans-153.7145.5-174.3-170.1-106.1000112.2L31 Y32 H342 V343 H369 W401 M403 I407L31-F367 HydrophobicContact CB-CE2 4.13Å; L31-F367 HydrophobicContact CB-CZ 4.23Å; L31-F367 HydrophobicContact CD2-CE2 4.25Å; Y32-F367 HydrophobicContact CD1-CZ 4.33Å; Y32-F367 AromaticContact CE1-CE1 3.78Å; Y32-F367 HydrophobicContact CE1-CE1 3.78Å; Y32-F367 AromaticContact CE1-CZ 3.64Å; Y32-F367 HydrophobicContact CE1-CZ 3.64Å; Y32-F367 HydrophobicContact CE2-CZ 4.2Å; Y32-F367 AromaticContact CZ-CE1 3.92Å; Y32-F367 AromaticContact CZ-CZ 3.54Å; Y32-F367 WeakPolarHBondContact OH-CZ 3.38Å; H342-F367 CarbonylContact C-O 3.57Å; H342-F367 WeakPolarHBondContact CA-O 3.4Å; V343-F367 HydrophobicContact CB-CB 4.14Å; V343-F367 HydrophobicContact CG2-CB 4.44Å; V343-F367 PolarHBondContact N-O 3.15Å; V343-F367 PolarHBondContact O-N 2.95Å; V343-F367 VanDerWaalsContact O-N 3.12Å; F367-H369 HydrophobicContact CD1-CB 4.33Å; F367-H369 HydrophobicContact CE1-CB 3.97Å; F367-W401 HydrophobicContact CD1-CH2 4.31Å; F367-W401 AromaticContact CD1-CZ3 3.95Å; F367-W401 HydrophobicContact CD1-CZ3 3.95Å; F367-W401 HydrophobicContact CE1-CE3 4.31Å; F367-W401 HydrophobicContact CE1-CH2 4.35Å; F367-W401 AromaticContact CE1-CZ3 3.73Å; F367-W401 HydrophobicContact CE1-CZ3 3.73Å; F367-M403 HydrophobicContact CB-CE 4Å; F367-M403 HydrophobicContact CB-SD 4.23Å; F367-M403 HydrophobicContact CD1-CB 4.33Å; F367-M403 HydrophobicContact CD1-CE 4.26Å; F367-M403 HydrophobicContact CD2-CB 4.33Å; F367-M403 HydrophobicContact CE1-CB 4.26Å; F367-M403 HydrophobicContact CE2-CB 4.25Å; F367-M403 HydrophobicContact CG-CB 4.34Å; F367-M403 HydrophobicContact CG-CE 4.25Å; F367-M403 HydrophobicContact CG-SD 4.46Å; F367-M403 HydrophobicContact CZ-CB 4.2Å; F367-I407 HydrophobicContact CD2-CD1 3.69Å; F367-I407 HydrophobicContact CD2-CG2 4.22Å; F367-I407 HydrophobicContact CE2-CD1 3.56Å
368I98.4Very high97.3Very high64 Ų6433.2 Ų33.233%0.32820%0.196SC..EExtended strand (participates in β ladder)trans-119.3110.9170.7-55.7175.9000108.9R340 L365 A370R340-I368 HydrophobicContact CB-CG2 4.02Å; R340-I368 HydrophobicContact CG-CG2 4.08Å; L365-I368 HydrophobicContact CD1-CG1 4.01Å; L365-I368 HydrophobicContact CD2-CD1 3.79Å; L365-I368 HydrophobicContact CD2-CG1 4.02Å; L365-I368 HydrophobicContact CG-CG1 4.25Å; I368-A370 PolarHBondContact O-N 2.72Å
369H98.4Very high97.5Very high0 Ų030.6 Ų30.60%018%0.175CC..EExtended strand (participates in β ladder)trans-80.2111.7168.6177.269.1000110.1Y32 R340 L341 F367 H372 Q399 W401Y32-H369 AromaticContact CE1-ND1 3.57Å; Y32-H369 AromaticContact CZ-ND1 3.62Å; Y32-H369 PolarHBondContact OH-ND1 3.23Å; R340-H369 WeakPolarHBondContact CA-O 3.29Å; L341-H369 HydrophobicContact CB-CB 4.18Å; L341-H369 PolarHBondContact N-O 3.26Å; L341-H369 VanDerWaalsContact N-O 3.1Å; L341-H369 PolarHBondContact O-N 2.81Å; F367-H369 HydrophobicContact CD1-CB 4.33Å; F367-H369 HydrophobicContact CE1-CB 3.97Å; H369-H372 AromaticContact CD2-CD2 3.78Å; H369-H372 AromaticContact NE2-CD2 3.44Å; H369-H372 PolarHBondContact NE2-CD2 3.21Å; H369-H372 AromaticContact NE2-NE2 3.84Å; H369-Q399 PolarHBondContact CE1-OE1 3.22Å; H369-Q399 PolarHBondContact NE2-OE1 3.37Å; H369-Q399 VanDerWaalsContact NE2-OE1 3.09Å; H369-W401 HydrophobicContact CB-CH2 3.62Å; H369-W401 HydrophobicContact CB-CZ2 3.56Å; H369-W401 HydrophobicContact CB-CZ3 4.15Å; H369-W401 AromaticContact CD2-CE2 3.8Å; H369-W401 AromaticContact CD2-CZ2 3.98Å; H369-W401 AromaticContact CD2-NE1 3.68Å; H369-W401 AromaticContact CE1-CD1 3.72Å; H369-W401 AromaticContact CE1-CG 3.91Å; H369-W401 AromaticContact CE1-NE1 3.79Å; H369-W401 AromaticContact CG-CE2 3.57Å; H369-W401 AromaticContact CG-CZ2 3.62Å; H369-W401 AromaticContact CG-NE1 3.9Å; H369-W401 AromaticContact ND1-CD2 3.74Å; H369-W401 AromaticContact ND1-CE2 3.75Å; H369-W401 AromaticContact ND1-NE1 3.98Å; H369-W401 AromaticContact NE2-CD1 3.9Å; H369-W401 AromaticContact NE2-NE1 3.65Å
370A97.1Very high97.7Very high19 Ų1924 Ų2416%0.15714%0.14CC..  trans-109.323.4-178.400000113.4W24 I368W24-A370 HydrophobicContact CG-CB 4.3Å; I368-A370 PolarHBondContact O-N 2.72Å
371G95.9Very high98Very high1 Ų118.1 Ų18.11%0.0111%0.108CC..  trans-77.8-16.4-175.800000115.2Y21 Q399Y21-G371 VanDerWaalsContact CE2-O 3.28Å; Y21-G371 WeakPolarHBondContact CE2-O 3.28Å; G371-Q399 PolarHBondContact O-NE2 3.33Å
372H97.7Very high98.1Very high2 Ų217.4 Ų17.41%0.00910%0.101CC..  trans-91141.7178.8-70.4-85.3000112H369 I376 S391 S393H369-H372 AromaticContact CD2-CD2 3.78Å; H369-H372 AromaticContact NE2-CD2 3.44Å; H369-H372 PolarHBondContact NE2-CD2 3.21Å; H369-H372 AromaticContact NE2-NE2 3.84Å; H372-I376 HydrophobicContact CB-CD1 4.24Å; H372-I376 HydrophobicContact CB-CG1 3.95Å; H372-S391 PolarHBondContact CE1-O 3.13Å; H372-S391 VanDerWaalsContact NE2-CB 3.34Å; H372-S391 WeakPolarHBondContact NE2-CB 3.29Å; H372-S391 PolarHBondContact NE2-OG 2.77Å; H372-S393 VanDerWaalsContact ND1-CB 3.31Å; H372-S393 WeakPolarHBondContact ND1-CB 3.4Å; H372-S393 PolarHBondContact ND1-OG 3.28Å
373T97.4Very high98Very high41 Ų4120.3 Ų20.325%0.25211%0.113SC..SBendtrans-103.5-5.2178.139.70000113.6I17 Y21 R339 D395I17-T373 HydrophobicContact CG2-CG2 3.74Å; Y21-T373 HydrophobicContact CD2-CG2 3.73Å; Y21-T373 HydrophobicContact CE2-CG2 4.38Å; Y21-T373 HydrophobicContact CG-CG2 3.81Å; R339-T373 WeakPolarHBondContact CD-O 3.5Å; T373-D395 PolarHBondContact OG1-OD2 2.9Å
374A97.7Very high97.9Very high21 Ų2122.2 Ų22.217%0.17412%0.122CC..SBendtrans-132.3175.1172.200000111.1R339 I376 E394 D395R339-A374 WeakPolarHBondContact CB-O 3.39Å; R339-A374 WeakPolarHBondContact CG-O 3.48Å; A374-I376 PolarHBondContact O-N 3.42Å; A374-E394 HydrophobicContact CB-CB 4.4Å; A374-D395 HydrophobicContact CB-CB 3.68Å; A374-D395 VanDerWaalsContact CB-CG 3.41Å; A374-D395 PolarHBondContact N-OD2 3.25Å
375K98.3Very high97.7Very high50 Ų5023.4 Ų23.422%0.21713%0.129CC..  trans-52.2134.8176.9167.7172168.6-175.60110.4F320 S393 E394F320-K375 HydrophobicContact CD2-CD 4.5Å; F320-K375 VanDerWaalsContact CD2-CE 3.48Å; F320-K375 HydrophobicContact CE2-CD 4.45Å; F320-K375 VanDerWaalsContact CE2-NZ 3.26Å; K375-S393 WeakPolarHBondContact O-CA 3.13Å; K375-S393 WeakPolarHBondContact O-CB 3.22Å; K375-E394 HydrophobicContact CB-CG 4.3Å; K375-E394 WeakPolarHBondContact CD-OE1 2.93Å; K375-E394 IonicContact NZ-OE1 2.72Å; K375-E394 PolarHBondContact O-N 3.14Å; K375-E394 VanDerWaalsContact O-N 3.13Å
376I98.8Very high97.6Very high0 Ų024.9 Ų24.90%014%0.14CC..EExtended strand (participates in β ladder)trans-84.4118.2176.1-59.5176000107.8G336 L341 H372 A374G336-I376 PolarHBondContact O-N 2.85Å; G336-I376 VanDerWaalsContact O-N 3.13Å; L341-I376 HydrophobicContact CB-CD1 3.91Å; H372-I376 HydrophobicContact CB-CD1 4.24Å; H372-I376 HydrophobicContact CB-CG1 3.95Å; A374-I376 PolarHBondContact O-N 3.42Å
377S98.6Very high97.5Very high16 Ų1624.8 Ų24.811%0.11214%0.138CC..EExtended strand (participates in β ladder)trans-83.7-40.5-175.6-49.60000112.5V392S377-V392 PolarHBondContact N-O 2.93Å
378D98.9Very high97.5Very high0 Ų024.1 Ų24.10%014%0.135CC..EExtended strand (participates in β ladder)trans-157.9160.6178.1-156.28.8000109.9T46 A47 R130 Q321 V392T46-D378 WeakPolarHBondContact CA-OD2 3.31Å; T46-D378 PolarHBondContact OG1-OD2 3.43Å; A47-D378 HydrophobicContact CB-CB 4.39Å; A47-D378 PolarHBondContact N-OD2 3.4Å; R130-D378 IonicContact CZ-OD2 3.66Å; R130-D378 IonicContact NH1-OD2 3.51Å; R130-D378 PolarHBondContact NH1-OD2 2.9Å; R130-D378 VanDerWaalsContact NH1-OD2 3.13Å; R130-D378 IonicContact NH2-OD1 3.79Å; R130-D378 PolarHBondContact NH2-OD1 2.92Å; R130-D378 IonicContact NH2-OD2 3.25Å; R130-D378 PolarHBondContact NH2-OD2 3.04Å; Q321-D378 PolarHBondContact NE2-OD1 3.27Å; D378-V392 HydrophobicContact CB-CG2 4.09Å; D378-V392 WeakPolarHBondContact O-CG2 3.49Å; D378-V392 PolarHBondContact O-N 3.34Å
379F98.9Very high97.5Very high0 Ų021 Ų210%012%0.119CC..EExtended strand (participates in β ladder)trans-147.9164.5170.874.2-88.5000110.5Q321 Q323 A333 S335 L341 I389 C390Q321-F379 HydrophobicContact CB-CD1 3.93Å; Q321-F379 HydrophobicContact CB-CE1 3.71Å; Q321-F379 HydrophobicContact CG-CD1 3.57Å; Q321-F379 HydrophobicContact CG-CE1 3.35Å; Q321-F379 HydrophobicContact CG-CZ 4.15Å; Q323-F379 HydrophobicContact CB-CE2 3.78Å; Q323-F379 HydrophobicContact CB-CZ 3.84Å; Q323-F379 HydrophobicContact CG-CE2 4.14Å; Q323-F379 HydrophobicContact CG-CZ 4.06Å; Q323-F379 PolarHBondContact NE2-O 3.29Å; Q323-F379 PolarHBondContact OE1-O 3.03Å; A333-F379 HydrophobicContact CB-CE2 3.59Å; A333-F379 HydrophobicContact CB-CZ 3.67Å; A333-F379 WeakPolarHBondContact O-CZ 3.47Å; S335-F379 WeakPolarHBondContact OG-CD1 3.47Å; L341-F379 HydrophobicContact CD1-CB 3.71Å; L341-F379 HydrophobicContact CD1-CD1 3.79Å; L341-F379 HydrophobicContact CD1-CD2 3.78Å; L341-F379 HydrophobicContact CD1-CE1 4.32Å; L341-F379 HydrophobicContact CD1-CE2 4.34Å; L341-F379 HydrophobicContact CD1-CG 3.48Å; L341-F379 VanDerWaalsContact CD1-CG 3.48Å; F379-I389 HydrophobicContact CB-CG2 4.26Å; F379-I389 HydrophobicContact CD2-CG2 4.14Å; F379-C390 CarbonylContact C-O 3.6Å; F379-C390 WeakPolarHBondContact CA-O 3.29Å; F379-C390 VanDerWaalsContact CB-O 3.27Å; F379-C390 WeakPolarHBondContact CB-O 3.33Å
380S98.9Very high97.5Very high8 Ų821 Ų216%0.05612%0.119CC..EExtended strand (participates in β ladder)trans-149130.3177.6-178.80000111W49 I389 C390W49-S380 PolarHBondContact N-OG 3.28Å; W49-S380 PolarHBondContact NE1-O 3.45Å; S380-I389 WeakPolarHBondContact O-CA 3.28Å; S380-C390 PolarHBondContact N-O 3.36Å; S380-C390 PolarHBondContact O-N 2.58Å
381W98.8Very high97.6Very high10 Ų1020.1 Ų20.14%0.03811%0.112CC..EExtended strand (participates in β ladder)trans-65.2137.1165.1-66.599.4000110.5W49 Q323 W324 P326 I331 A333 V343 W387 I389W49-W381 VanDerWaalsContact CD1-C 3.46Å; W49-W381 VanDerWaalsContact CD1-O 3.31Å; Q323-W381 PolarHBondContact O-NE1 3.24Å; W324-W381 VanDerWaalsContact O-CD1 3.3Å; P326-W381 VanDerWaalsContact CD-CB 3.47Å; P326-W381 HydrophobicContact CG-CB 3.94Å; I331-W381 HydrophobicContact CG2-CH2 3.77Å; I331-W381 HydrophobicContact CG2-CZ2 3.94Å; A333-W381 HydrophobicContact CB-CZ2 3.56Å; V343-W381 HydrophobicContact CG1-CH2 4.01Å; V343-W381 HydrophobicContact CG1-CZ2 4.36Å; V343-W381 HydrophobicContact CG2-CH2 4.45Å; W381-W387 HydrophobicContact CH2-CE3 4.26Å; W381-W387 HydrophobicContact CH2-CZ3 4.49Å; W381-W387 HydrophobicContact CZ3-CE3 4.13Å; W381-I389 HydrophobicContact CD2-CD1 4.1Å; W381-I389 HydrophobicContact CD2-CG1 3.84Å; W381-I389 HydrophobicContact CE3-CD1 3.78Å; W381-I389 HydrophobicContact CE3-CG1 3.48Å; W381-I389 VanDerWaalsContact CE3-CG1 3.48Å; W381-I389 HydrophobicContact CG-CG1 4.48Å; W381-I389 HydrophobicContact CH2-CD1 3.73Å; W381-I389 HydrophobicContact CH2-CG1 4.37Å; W381-I389 HydrophobicContact CZ2-CD1 4.04Å; W381-I389 HydrophobicContact CZ3-CD1 3.57Å; W381-I389 HydrophobicContact CZ3-CG1 3.76Å
382N98.1Very high97.7Very high0 Ų020.1 Ų20.10%011%0.111CC..  trans-75126.7169.5-167.3-39.9000108.9W49 H63 H327 N384 D385 A388W49-N382 VanDerWaalsContact CD1-CA 3.5Å; W49-N382 HydrophobicContact CD2-CB 4.28Å; W49-N382 HydrophobicContact CG-CB 4.24Å; H63-N382 PolarHBondContact CE1-ND2 2.86Å; H63-N382 VanDerWaalsContact CE1-ND2 3.33Å; H63-N382 PolarHBondContact ND1-ND2 2.85Å; H327-N382 PolarHBondContact CE1-O 2.86Å; N382-N384 VanDerWaalsContact C-N 3.33Å; N382-N384 PolarHBondContact OD1-N 3.02Å; N382-D385 HydrophobicContact CB-CB 4.29Å; N382-D385 PolarHBondContact OD1-N 2.67Å; N382-A388 HydrophobicContact CB-CB 3.93Å; N382-A388 WeakPolarHBondContact CB-O 3.32Å; N382-A388 PolarHBondContact N-O 3.06Å
383I96.7Very high97.7Very high91 Ų9120 Ų2047%0.46711%0.111SC..SBendtrans-77.3-19.4179.7-165.6169.1000113.2P51 P326 H327P51-I383 HydrophobicContact CB-CG2 4.27Å; P326-I383 HydrophobicContact CB-CG1 4.28Å; H327-I383 PolarHBondContact NE2-O 2.92Å
384N95.8Very high97.7Very high68 Ų6822.3 Ų22.336%0.36412%0.119SC..SBendtrans-102.1-17.5-174.9-66.1-77000113.6P51 V53 N382P51-N384 PolarHBondContact O-ND2 2.95Å; V53-N384 HydrophobicContact CG2-CB 3.67Å; V53-N384 VanDerWaalsContact CG2-CG 3.44Å; V53-N384 VanDerWaalsContact CG2-ND2 3.25Å; V53-N384 WeakPolarHBondContact CG2-ND2 3.49Å; N382-N384 VanDerWaalsContact C-N 3.33Å; N382-N384 PolarHBondContact OD1-N 3.02Å
385D94Very high97.7Very high33 Ų3323.5 Ų23.518%0.17612%0.122CC..SBendtrans-129103.2-176.9-163.4-13.8000109N382 A388 Q402N382-D385 HydrophobicContact CB-CB 4.29Å; N382-D385 PolarHBondContact OD1-N 2.67Å; D385-A388 HydrophobicContact CB-CB 4.03Å; D385-A388 WeakPolarHBondContact O-CB 3.26Å; D385-A388 PolarHBondContact O-N 2.99Å; D385-Q402 PolarHBondContact OD1-NE2 3.28Å
386P95.3Very high97.6Very high59 Ų5923 Ų2338%0.38312%0.122SC..THydrogen-bonded Turntrans-55141.6-177.4-26.335.6000112.7A388 Q402P386-A388 PolarHBondContact O-N 3.34Å; P386-Q402 PolarHBondContact O-NE2 3.11Å
387W96.6Very high97.6Very high23 Ų2324.4 Ų24.49%0.08713%0.129CC..THydrogen-bonded Turntrans66.3-7.7180-53.4105.9000116.7N328 I331 V343 L366 W381 Q402 M403 Y408N328-W387 VanDerWaalsContact ND2-CZ2 3.33Å; N328-W387 WeakPolarHBondContact ND2-CZ2 2.95Å; I331-W387 HydrophobicContact CB-CH2 4.45Å; I331-W387 HydrophobicContact CD1-CH2 3.69Å; I331-W387 HydrophobicContact CD1-CZ3 4.24Å; I331-W387 HydrophobicContact CG1-CH2 3.59Å; I331-W387 HydrophobicContact CG1-CZ2 4.43Å; I331-W387 HydrophobicContact CG1-CZ3 4.11Å; I331-W387 HydrophobicContact CG2-CH2 4.12Å; I331-W387 HydrophobicContact CG2-CZ3 3.72Å; V343-W387 HydrophobicContact CG1-CZ3 4.41Å; L366-W387 HydrophobicContact CD2-CH2 4.04Å; L366-W387 HydrophobicContact CD2-CZ3 4Å; W381-W387 HydrophobicContact CH2-CE3 4.26Å; W381-W387 HydrophobicContact CH2-CZ3 4.49Å; W381-W387 HydrophobicContact CZ3-CE3 4.13Å; W387-Q402 HydrophobicContact CB-CG 3.98Å; W387-M403 HydrophobicContact CE3-CE 3.82Å; W387-M403 HydrophobicContact CE3-SD 3.93Å; W387-M403 HydrophobicContact CZ3-CE 4.08Å; W387-M403 HydrophobicContact CZ3-SD 4.09Å; W387-Y408 HydrophobicContact CB-CE1 4.27Å; W387-Y408 AromaticContact CD1-CE1 3.69Å; W387-Y408 AromaticContact CD1-CE2 3.64Å; W387-Y408 AromaticContact CD1-CZ 3.36Å; W387-Y408 AromaticContact CD2-CD1 3.91Å; W387-Y408 HydrophobicContact CD2-CD1 3.91Å; W387-Y408 HydrophobicContact CD2-CD2 4.49Å; W387-Y408 HydrophobicContact CD2-CE1 4.07Å; W387-Y408 HydrophobicContact CD2-CG 4.11Å; W387-Y408 AromaticContact CE2-CD1 3.87Å; W387-Y408 AromaticContact CE2-CD2 3.64Å; W387-Y408 AromaticContact CE2-CE2 3.96Å; W387-Y408 AromaticContact CE2-CG 3.58Å; W387-Y408 HydrophobicContact CE3-CD1 4.35Å; W387-Y408 HydrophobicContact CG-CD1 4.14Å; W387-Y408 AromaticContact CG-CE1 3.78Å; W387-Y408 HydrophobicContact CG-CE1 3.78Å; W387-Y408 HydrophobicContact CG-CE2 4.45Å; W387-Y408 AromaticContact CG-CZ 3.94Å; W387-Y408 HydrophobicContact CH2-CG 4.13Å; W387-Y408 HydrophobicContact CZ2-CD1 4.25Å; W387-Y408 AromaticContact CZ2-CD2 3.79Å; W387-Y408 HydrophobicContact CZ2-CD2 3.79Å; W387-Y408 AromaticContact CZ2-CG 3.61Å; W387-Y408 HydrophobicContact CZ2-CG 3.61Å; W387-Y408 AromaticContact NE1-CD2 3.42Å; W387-Y408 AromaticContact NE1-CE1 3.92Å; W387-Y408 AromaticContact NE1-CE2 3.27Å; W387-Y408 VanDerWaalsContact NE1-CE2 3.27Å; W387-Y408 AromaticContact NE1-CG 3.8Å; W387-Y408 AromaticContact NE1-CZ 3.52Å
388A96.6Very high97.5Very high0 Ų023.7 Ų23.70%012%0.124CC..EExtended strand (participates in β ladder)trans-76.2129.9174.100000110.9M34 N382 D385 P386 W401M34-A388 HydrophobicContact CE-CB 3.99Å; N382-A388 HydrophobicContact CB-CB 3.93Å; N382-A388 WeakPolarHBondContact CB-O 3.32Å; N382-A388 PolarHBondContact N-O 3.06Å; D385-A388 HydrophobicContact CB-CB 4.03Å; D385-A388 WeakPolarHBondContact O-CB 3.26Å; D385-A388 PolarHBondContact O-N 2.99Å; P386-A388 PolarHBondContact O-N 3.34Å; A388-W401 CarbonylContact C-O 3.49Å; A388-W401 WeakPolarHBondContact CA-O 3.49Å
389I98.6Very high97.4Very high0 Ų023.8 Ų23.80%012%0.124CC..EExtended strand (participates in β ladder)trans-124.8141.9178.4-69.4165.8000108.6L341 V343 F379 S380 W381 I400 W401L341-I389 HydrophobicContact CD1-CG2 4.18Å; L341-I389 HydrophobicContact CD2-CD1 4.33Å; V343-I389 HydrophobicContact CG2-CD1 4.43Å; F379-I389 HydrophobicContact CB-CG2 4.26Å; F379-I389 HydrophobicContact CD2-CG2 4.14Å; S380-I389 WeakPolarHBondContact O-CA 3.28Å; W381-I389 HydrophobicContact CD2-CD1 4.1Å; W381-I389 HydrophobicContact CD2-CG1 3.84Å; W381-I389 HydrophobicContact CE3-CD1 3.78Å; W381-I389 HydrophobicContact CE3-CG1 3.48Å; W381-I389 VanDerWaalsContact CE3-CG1 3.48Å; W381-I389 HydrophobicContact CG-CG1 4.48Å; W381-I389 HydrophobicContact CH2-CD1 3.73Å; W381-I389 HydrophobicContact CH2-CG1 4.37Å; W381-I389 HydrophobicContact CZ2-CD1 4.04Å; W381-I389 HydrophobicContact CZ3-CD1 3.57Å; W381-I389 HydrophobicContact CZ3-CG1 3.76Å; I389-I400 CarbonylContact O-C 2.97Å; I389-I400 VanDerWaalsContact O-CA 3.31Å; I389-I400 WeakPolarHBondContact O-CA 3.5Å; I389-W401 HydrophobicContact CB-CD2 4.35Å; I389-W401 HydrophobicContact CB-CH2 4.4Å; I389-W401 HydrophobicContact CB-CZ2 3.9Å; I389-W401 HydrophobicContact CD1-CH2 3.45Å; I389-W401 VanDerWaalsContact CD1-CH2 3.45Å; I389-W401 HydrophobicContact CD1-CZ2 3.65Å; I389-W401 HydrophobicContact CD1-CZ3 4.1Å; I389-W401 HydrophobicContact CG1-CH2 4.48Å; I389-W401 HydrophobicContact CG1-CZ2 4.38Å; I389-W401 HydrophobicContact CG2-CZ2 3.82Å; I389-W401 PolarHBondContact N-O 2.96Å; I389-W401 PolarHBondContact O-N 3.42Å
390C98.4Very high97.2Very high0 Ų023.9 Ų23.90%013%0.125CC..EExtended strand (participates in β ladder)trans-104.1139.3157.571.10000110W49 L65 F379 S380 L398 Q399 I400W49-C390 HydrophobicContact CZ2-CB 3.85Å; W49-C390 PolarHBondContact NE1-SG 2.79Å; W49-C390 VanDerWaalsContact NE1-SG 3.42Å; L65-C390 HydrophobicContact CD1-CB 4.24Å; L65-C390 HydrophobicContact CD2-CB 4Å; L65-C390 WeakPolarHBondContact CD2-SG 3.08Å; F379-C390 CarbonylContact C-O 3.6Å; F379-C390 WeakPolarHBondContact CA-O 3.29Å; F379-C390 VanDerWaalsContact CB-O 3.27Å; F379-C390 WeakPolarHBondContact CB-O 3.33Å; S380-C390 PolarHBondContact N-O 3.36Å; S380-C390 PolarHBondContact O-N 2.58Å; C390-L398 HydrophobicContact CB-CD1 4.19Å; C390-Q399 CarbonylContact C-O 3.6Å; C390-Q399 VanDerWaalsContact CA-O 3.26Å; C390-Q399 WeakPolarHBondContact CA-O 3.41Å; C390-I400 HydrophobicContact CB-CG1 4.07Å
391S98.8Very high97.1Very high0 Ų023.5 Ų23.50%012%0.122CC..EExtended strand (participates in β ladder)trans-137.5141176.546.50000110.7H372 L398 Q399 W401H372-S391 PolarHBondContact CE1-O 3.13Å; H372-S391 VanDerWaalsContact NE2-CB 3.34Å; H372-S391 WeakPolarHBondContact NE2-CB 3.29Å; H372-S391 PolarHBondContact NE2-OG 2.77Å; S391-L398 WeakPolarHBondContact O-CA 3.39Å; S391-Q399 PolarHBondContact N-O 2.8Å; S391-Q399 PolarHBondContact O-N 3.21Å; S391-W401 PolarHBondContact OG-NE1 3.45Å
392V98.8Very high96.9Very high0 Ų024.5 Ų24.50%013%0.127CC..EExtended strand (participates in β ladder)trans-122.7142.3-179.1-67.90000111S44 A47 L67 S377 D378 I397 L398S44-V392 WeakPolarHBondContact O-CG2 3.28Å; A47-V392 HydrophobicContact CB-CG1 4.16Å; A47-V392 HydrophobicContact CB-CG2 3.92Å; L67-V392 HydrophobicContact CD2-CG1 4.04Å; S377-V392 PolarHBondContact N-O 2.93Å; D378-V392 HydrophobicContact CB-CG2 4.09Å; D378-V392 WeakPolarHBondContact O-CG2 3.49Å; D378-V392 PolarHBondContact O-N 3.34Å; V392-I397 WeakPolarHBondContact CA-O 3.3Å; V392-L398 HydrophobicContact CG1-CB 4.17Å; V392-L398 HydrophobicContact CG1-CD1 3.61Å; V392-L398 HydrophobicContact CG1-CG 4.45Å
393S98.5Very high96.8Very high1 Ų124.5 Ų24.51%0.00713%0.127CC..EExtended strand (participates in β ladder)trans-127.1166178.851.50000113.3H372 K375 D395 N396 I397H372-S393 VanDerWaalsContact ND1-CB 3.31Å; H372-S393 WeakPolarHBondContact ND1-CB 3.4Å; H372-S393 PolarHBondContact ND1-OG 3.28Å; K375-S393 WeakPolarHBondContact O-CA 3.13Å; K375-S393 WeakPolarHBondContact O-CB 3.22Å; S393-D395 VanDerWaalsContact CB-OD1 3.31Å; S393-D395 WeakPolarHBondContact CB-OD1 3.47Å; S393-D395 PolarHBondContact O-N 3.36Å; S393-D395 PolarHBondContact OG-OD1 3.25Å; S393-N396 PolarHBondContact O-N 3.21Å; S393-I397 PolarHBondContact N-O 2.9Å; S393-I397 PolarHBondContact OG-O 3.17Å
394E97.3Very high96.6Very high89 Ų8920.4 Ų20.442%0.41611%0.107SC..THydrogen-bonded Turntrans-67.4-17.6-175.3-66.4-177.5170.400114.3P43 A374 K375 N396P43-E394 VanDerWaalsContact CG-O 3.28Å; P43-E394 WeakPolarHBondContact CG-O 3.27Å; A374-E394 HydrophobicContact CB-CB 4.4Å; K375-E394 HydrophobicContact CB-CG 4.3Å; K375-E394 WeakPolarHBondContact CD-OE1 2.93Å; K375-E394 IonicContact NZ-OE1 2.72Å; K375-E394 PolarHBondContact O-N 3.14Å; K375-E394 VanDerWaalsContact O-N 3.13Å; E394-N396 PolarHBondContact O-N 2.94Å
395D96.6Very high96.5Very high46 Ų4622 Ų2225%0.24611%0.113CC..THydrogen-bonded Turntrans-9028.117660.9-7.6000113.2T373 A374 S393 I397T373-D395 PolarHBondContact OG1-OD2 2.9Å; A374-D395 HydrophobicContact CB-CB 3.68Å; A374-D395 VanDerWaalsContact CB-CG 3.41Å; A374-D395 PolarHBondContact N-OD2 3.25Å; S393-D395 VanDerWaalsContact CB-OD1 3.31Å; S393-D395 WeakPolarHBondContact CB-OD1 3.47Å; S393-D395 PolarHBondContact O-N 3.36Å; S393-D395 PolarHBondContact OG-OD1 3.25Å; D395-I397 PolarHBondContact O-N 2.87Å
396N97.4Very high96.4Very high39 Ų3926.2 Ų26.221%0.20914%0.135CC..SBendtrans68.27.8178.2-55.149.3000115.3L40 E41 W42 P43 S393 E394L40-N396 HydrophobicContact CB-CB 4.49Å; L40-N396 WeakPolarHBondContact CB-O 3.49Å; L40-N396 PolarHBondContact N-O 3.12Å; L40-N396 WeakPolarHBondContact O-CB 3.44Å; L40-N396 PolarHBondContact O-ND2 2.93Å; L40-N396 VanDerWaalsContact O-ND2 3.16Å; E41-N396 PolarHBondContact O-ND2 2.82Å; E41-N396 VanDerWaalsContact O-ND2 3.1Å; W42-N396 WeakPolarHBondContact CA-ND2 3.33Å; P43-N396 WeakPolarHBondContact CD-OD1 3.5Å; P43-N396 WeakPolarHBondContact CG-OD1 3.16Å; S393-N396 PolarHBondContact O-N 3.21Å; E394-N396 PolarHBondContact O-N 2.94Å
397I97.3Very high96.4Very high29 Ų2925 Ų2515%0.14913%0.125CC..EExtended strand (participates in β ladder)trans-87.2123.8-176.3-58-56.8000111C39 V392 S393 D395 Q399C39-I397 HydrophobicContact CB-CD1 4.25Å; V392-I397 WeakPolarHBondContact CA-O 3.3Å; S393-I397 PolarHBondContact N-O 2.9Å; S393-I397 PolarHBondContact OG-O 3.17Å; D395-I397 PolarHBondContact O-N 2.87Å; I397-Q399 HydrophobicContact CG2-CG 3.63Å
398L96.9Very high96.3Very high1 Ų126.5 Ų26.51%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-101.3125.7161167.264.4000108.4H38 L40 L65 L67 L114 C390 S391 V392 I400H38-L398 PolarHBondContact N-O 2.88Å; H38-L398 PolarHBondContact O-N 2.86Å; L40-L398 HydrophobicContact CD1-CB 4.08Å; L40-L398 HydrophobicContact CD2-CB 4.27Å; L40-L398 HydrophobicContact CD2-CD2 4.31Å; L40-L398 HydrophobicContact CG-CB 4.06Å; L65-L398 HydrophobicContact CD1-CD1 4.38Å; L65-L398 HydrophobicContact CD1-CD2 4.18Å; L67-L398 HydrophobicContact CD1-CD2 4.05Å; L114-L398 HydrophobicContact CD1-CD2 3.4Å; L114-L398 VanDerWaalsContact CD1-CD2 3.4Å; C390-L398 HydrophobicContact CB-CD1 4.19Å; S391-L398 WeakPolarHBondContact O-CA 3.39Å; V392-L398 HydrophobicContact CG1-CB 4.17Å; V392-L398 HydrophobicContact CG1-CD1 3.61Å; V392-L398 HydrophobicContact CG1-CG 4.45Å; L398-I400 HydrophobicContact CD1-CG1 4.36Å; L398-I400 HydrophobicContact CG-CG1 4.49Å
399Q96.5Very high95.9Very high2 Ų229.8 Ų29.81%0.00915%0.148CC..EExtended strand (participates in β ladder)trans-114.2142.1168.5-57.3-163.4-2.800110.5M36 H369 G371 C390 S391 I397M36-Q399 CarbonylContact O-C 3.49Å; M36-Q399 VanDerWaalsContact O-CA 3.28Å; M36-Q399 WeakPolarHBondContact O-CA 3.5Å; H369-Q399 PolarHBondContact CE1-OE1 3.22Å; H369-Q399 PolarHBondContact NE2-OE1 3.37Å; H369-Q399 VanDerWaalsContact NE2-OE1 3.09Å; G371-Q399 PolarHBondContact O-NE2 3.33Å; C390-Q399 CarbonylContact C-O 3.6Å; C390-Q399 VanDerWaalsContact CA-O 3.26Å; C390-Q399 WeakPolarHBondContact CA-O 3.41Å; S391-Q399 PolarHBondContact N-O 2.8Å; S391-Q399 PolarHBondContact O-N 3.21Å; I397-Q399 HydrophobicContact CG2-CG 3.63Å
400I96Very high94.4Very high3 Ų335 Ų352%0.01518%0.176CC..EExtended strand (participates in β ladder)trans-124.3117.4169.8-55.5172.8000106.5M34 L35 M36 W49 L65 V83 L85 I389 C390 L398M34-I400 HydrophobicContact CE-CG2 4.36Å; L35-I400 CarbonylContact C-O 3.57Å; M36-I400 HydrophobicContact CB-CB 4.27Å; M36-I400 PolarHBondContact N-O 2.95Å; M36-I400 PolarHBondContact O-N 3.06Å; W49-I400 HydrophobicContact CH2-CD1 3.95Å; W49-I400 HydrophobicContact CH2-CG2 4.18Å; W49-I400 HydrophobicContact CZ2-CD1 4.28Å; W49-I400 HydrophobicContact CZ2-CG1 4.38Å; W49-I400 HydrophobicContact CZ2-CG2 3.84Å; L65-I400 HydrophobicContact CD1-CD1 3.98Å; V83-I400 HydrophobicContact CB-CD1 4.36Å; V83-I400 HydrophobicContact CG1-CD1 3.53Å; V83-I400 HydrophobicContact CG2-CD1 3.93Å; L85-I400 HydrophobicContact CD2-CG2 3.93Å; I389-I400 CarbonylContact O-C 2.97Å; I389-I400 VanDerWaalsContact O-CA 3.31Å; I389-I400 WeakPolarHBondContact O-CA 3.5Å; C390-I400 HydrophobicContact CB-CG1 4.07Å; L398-I400 HydrophobicContact CD1-CG1 4.36Å; L398-I400 HydrophobicContact CG-CG1 4.49Å
401W95.4Very high92.2Very high0 Ų041.2 Ų41.20%021%0.209CC..EExtended strand (participates in β ladder)trans-145.5155.8-167.957.9-87.9000111.6Y32 M34 L35 L341 V343 F367 H369 A388 I389 S391 M403Y32-W401 HydrophobicContact CD1-CB 4.04Å; Y32-W401 HydrophobicContact CD1-CE3 4.09Å; Y32-W401 HydrophobicContact CE1-CB 4.19Å; Y32-W401 HydrophobicContact CE1-CD2 4.16Å; Y32-W401 AromaticContact CE1-CE3 3.71Å; Y32-W401 HydrophobicContact CE1-CE3 3.71Å; Y32-W401 HydrophobicContact CE1-CG 4.38Å; Y32-W401 HydrophobicContact CE1-CZ3 4.44Å; M34-W401 CarbonylContact O-C 3.07Å; M34-W401 WeakPolarHBondContact O-CA 3.41Å; L35-W401 HydrophobicContact CD1-CB 3.76Å; L341-W401 HydrophobicContact CB-CZ2 4.49Å; L341-W401 HydrophobicContact CD1-CZ2 3.99Å; L341-W401 HydrophobicContact CD2-CH2 3.78Å; L341-W401 HydrophobicContact CD2-CZ2 3.69Å; L341-W401 HydrophobicContact CG-CZ2 4.26Å; V343-W401 HydrophobicContact CG2-CH2 4.2Å; F367-W401 HydrophobicContact CD1-CH2 4.31Å; F367-W401 AromaticContact CD1-CZ3 3.95Å; F367-W401 HydrophobicContact CD1-CZ3 3.95Å; F367-W401 HydrophobicContact CE1-CE3 4.31Å; F367-W401 HydrophobicContact CE1-CH2 4.35Å; F367-W401 AromaticContact CE1-CZ3 3.73Å; F367-W401 HydrophobicContact CE1-CZ3 3.73Å; H369-W401 HydrophobicContact CB-CH2 3.62Å; H369-W401 HydrophobicContact CB-CZ2 3.56Å; H369-W401 HydrophobicContact CB-CZ3 4.15Å; H369-W401 AromaticContact CD2-CE2 3.8Å; H369-W401 AromaticContact CD2-CZ2 3.98Å; H369-W401 AromaticContact CD2-NE1 3.68Å; H369-W401 AromaticContact CE1-CD1 3.72Å; H369-W401 AromaticContact CE1-CG 3.91Å; H369-W401 AromaticContact CE1-NE1 3.79Å; H369-W401 AromaticContact CG-CE2 3.57Å; H369-W401 AromaticContact CG-CZ2 3.62Å; H369-W401 AromaticContact CG-NE1 3.9Å; H369-W401 AromaticContact ND1-CD2 3.74Å; H369-W401 AromaticContact ND1-CE2 3.75Å; H369-W401 AromaticContact ND1-NE1 3.98Å; H369-W401 AromaticContact NE2-CD1 3.9Å; H369-W401 AromaticContact NE2-NE1 3.65Å; A388-W401 CarbonylContact C-O 3.49Å; A388-W401 WeakPolarHBondContact CA-O 3.49Å; I389-W401 HydrophobicContact CB-CD2 4.35Å; I389-W401 HydrophobicContact CB-CH2 4.4Å; I389-W401 HydrophobicContact CB-CZ2 3.9Å; I389-W401 HydrophobicContact CD1-CH2 3.45Å; I389-W401 VanDerWaalsContact CD1-CH2 3.45Å; I389-W401 HydrophobicContact CD1-CZ2 3.65Å; I389-W401 HydrophobicContact CD1-CZ3 4.1Å; I389-W401 HydrophobicContact CG1-CH2 4.48Å; I389-W401 HydrophobicContact CG1-CZ2 4.38Å; I389-W401 HydrophobicContact CG2-CZ2 3.82Å; I389-W401 PolarHBondContact N-O 2.96Å; I389-W401 PolarHBondContact O-N 3.42Å; S391-W401 PolarHBondContact OG-NE1 3.45Å; W401-M403 HydrophobicContact CZ3-CE 4.46Å
402Q95.1Very high89.7Confident30 Ų3049.3 Ų49.314%0.1425%0.247CC..EExtended strand (participates in β ladder)trans-139.3122.9177.9-172.8177.328.200106.7Y32 D33 M34 D385 P386 W387Y32-Q402 CarbonylContact C-O 3.6Å; Y32-Q402 VanDerWaalsContact CA-O 3.23Å; Y32-Q402 WeakPolarHBondContact CA-O 3.26Å; Y32-Q402 WeakPolarHBondContact CB-O 3.38Å; D33-Q402 PolarHBondContact N-O 3.41Å; M34-Q402 HydrophobicContact CB-CB 3.88Å; M34-Q402 HydrophobicContact CE-CB 4.06Å; M34-Q402 PolarHBondContact N-O 3.39Å; M34-Q402 PolarHBondContact O-N 3.21Å; D385-Q402 PolarHBondContact OD1-NE2 3.28Å; P386-Q402 PolarHBondContact O-NE2 3.11Å; W387-Q402 HydrophobicContact CB-CG 3.98Å
403M95.3Very high87Confident0 Ų056.4 Ų56.40%028%0.284CS..EExtended strand (participates in β ladder)trans-65153.5177.573.1-177.769.400110.4L31 V343 L366 F367 W387 W401 I407 Y408L31-M403 WeakPolarHBondContact O-CA 3.3Å; V343-M403 HydrophobicContact CB-CE 3.98Å; V343-M403 HydrophobicContact CG1-CE 3.96Å; V343-M403 HydrophobicContact CG2-CE 3.7Å; L366-M403 HydrophobicContact CD2-SD 4.31Å; F367-M403 HydrophobicContact CB-CE 4Å; F367-M403 HydrophobicContact CB-SD 4.23Å; F367-M403 HydrophobicContact CD1-CB 4.33Å; F367-M403 HydrophobicContact CD1-CE 4.26Å; F367-M403 HydrophobicContact CD2-CB 4.33Å; F367-M403 HydrophobicContact CE1-CB 4.26Å; F367-M403 HydrophobicContact CE2-CB 4.25Å; F367-M403 HydrophobicContact CG-CB 4.34Å; F367-M403 HydrophobicContact CG-CE 4.25Å; F367-M403 HydrophobicContact CG-SD 4.46Å; F367-M403 HydrophobicContact CZ-CB 4.2Å; W387-M403 HydrophobicContact CE3-CE 3.82Å; W387-M403 HydrophobicContact CE3-SD 3.93Å; W387-M403 HydrophobicContact CZ3-CE 4.08Å; W387-M403 HydrophobicContact CZ3-SD 4.09Å; W401-M403 HydrophobicContact CZ3-CE 4.46Å; M403-I407 HydrophobicContact CB-CD1 4.29Å; M403-I407 HydrophobicContact SD-CG2 4.19Å; M403-Y408 HydrophobicContact CG-CD1 3.59Å; M403-Y408 HydrophobicContact CG-CE1 3.8Å; M403-Y408 HydrophobicContact SD-CD1 3.76Å
404A93.8Very high84Confident5 Ų564.5 Ų64.54%0.04132%0.322CS..  trans-64.9141.9-178.900000112.6L31 D33 N406 I407 Y408L31-A404 PolarHBondContact O-N 2.76Å; D33-A404 WeakPolarHBondContact OD2-CA 3.5Å; A404-N406 VanDerWaalsContact C-N 3.27Å; A404-N406 WeakPolarHBondContact CB-OD1 3.14Å; A404-N406 PolarHBondContact O-N 2.87Å; A404-I407 HydrophobicContact CB-CD1 4.09Å; A404-I407 HydrophobicContact CB-CG1 4.34Å; A404-I407 WeakPolarHBondContact O-CB 3.45Å; A404-I407 PolarHBondContact O-N 2.72Å; A404-Y408 WeakPolarHBondContact O-CE1 3.19Å
405E93.3Very high80.9Confident103 Ų10368 Ų6848%0.48134%0.34SS..Hα-helixtrans-53.8-40.1-176.7-173.2179.9-179.100114.2D33 I407 Y408 N409D33-E405 PolarHBondContact OD2-N 3.08Å; E405-I407 PolarHBondContact O-N 3.29Å; E405-Y408 VanDerWaalsContact CA-CZ 3.45Å; E405-Y408 HydrophobicContact CB-CE2 4.46Å; E405-Y408 HydrophobicContact CG-CE2 3.95Å; E405-Y408 PolarHBondContact O-N 2.66Å; E405-N409 HydrophobicContact CG-CB 4.08Å; E405-N409 VanDerWaalsContact O-CB 3.23Å; E405-N409 WeakPolarHBondContact O-CB 3.45Å; E405-N409 PolarHBondContact O-N 2.74Å; E405-N409 PolarHBondContact OE1-ND2 2.74Å
406N92.6Very high77.7Confident120 Ų12068.7 Ų68.764%0.64236%0.357SS*.Hα-helixtrans-64.5-9.3-179.867-37.3000114.6A404A404-N406 VanDerWaalsContact C-N 3.27Å; A404-N406 WeakPolarHBondContact CB-OD1 3.14Å; A404-N406 PolarHBondContact O-N 2.87Å
407I94.4Very high74.5Confident34 Ų3472 Ų7217%0.17438%0.375CS..Hα-helixtrans-82.7-40.3178.2-61.4174.4000110.8L366 F367 M403 A404 E405L366-I407 HydrophobicContact CD1-CG2 4.2Å; L366-I407 WeakPolarHBondContact CD1-O 3.1Å; L366-I407 HydrophobicContact CG-CG2 4.28Å; F367-I407 HydrophobicContact CD2-CD1 3.69Å; F367-I407 HydrophobicContact CD2-CG2 4.22Å; F367-I407 HydrophobicContact CE2-CD1 3.56Å; M403-I407 HydrophobicContact CB-CD1 4.29Å; M403-I407 HydrophobicContact SD-CG2 4.19Å; A404-I407 HydrophobicContact CB-CD1 4.09Å; A404-I407 HydrophobicContact CB-CG1 4.34Å; A404-I407 WeakPolarHBondContact O-CB 3.45Å; A404-I407 PolarHBondContact O-N 2.72Å; E405-I407 PolarHBondContact O-N 3.29Å
408Y93.8Very high71.8Confident55 Ų5576.5 Ų76.522%0.21641%0.406CS..Hα-helixtrans-105.1-13.4-175.956.6-100.7000113.8W387 M403 A404 E405W387-Y408 HydrophobicContact CB-CE1 4.27Å; W387-Y408 AromaticContact CD1-CE1 3.69Å; W387-Y408 AromaticContact CD1-CE2 3.64Å; W387-Y408 AromaticContact CD1-CZ 3.36Å; W387-Y408 AromaticContact CD2-CD1 3.91Å; W387-Y408 HydrophobicContact CD2-CD1 3.91Å; W387-Y408 HydrophobicContact CD2-CD2 4.49Å; W387-Y408 HydrophobicContact CD2-CE1 4.07Å; W387-Y408 HydrophobicContact CD2-CG 4.11Å; W387-Y408 AromaticContact CE2-CD1 3.87Å; W387-Y408 AromaticContact CE2-CD2 3.64Å; W387-Y408 AromaticContact CE2-CE2 3.96Å; W387-Y408 AromaticContact CE2-CG 3.58Å; W387-Y408 HydrophobicContact CE3-CD1 4.35Å; W387-Y408 HydrophobicContact CG-CD1 4.14Å; W387-Y408 AromaticContact CG-CE1 3.78Å; W387-Y408 HydrophobicContact CG-CE1 3.78Å; W387-Y408 HydrophobicContact CG-CE2 4.45Å; W387-Y408 AromaticContact CG-CZ 3.94Å; W387-Y408 HydrophobicContact CH2-CG 4.13Å; W387-Y408 HydrophobicContact CZ2-CD1 4.25Å; W387-Y408 AromaticContact CZ2-CD2 3.79Å; W387-Y408 HydrophobicContact CZ2-CD2 3.79Å; W387-Y408 AromaticContact CZ2-CG 3.61Å; W387-Y408 HydrophobicContact CZ2-CG 3.61Å; W387-Y408 AromaticContact NE1-CD2 3.42Å; W387-Y408 AromaticContact NE1-CE1 3.92Å; W387-Y408 AromaticContact NE1-CE2 3.27Å; W387-Y408 VanDerWaalsContact NE1-CE2 3.27Å; W387-Y408 AromaticContact NE1-CG 3.8Å; W387-Y408 AromaticContact NE1-CZ 3.52Å; M403-Y408 HydrophobicContact CG-CD1 3.59Å; M403-Y408 HydrophobicContact CG-CE1 3.8Å; M403-Y408 HydrophobicContact SD-CD1 3.76Å; A404-Y408 WeakPolarHBondContact O-CE1 3.19Å; E405-Y408 VanDerWaalsContact CA-CZ 3.45Å; E405-Y408 HydrophobicContact CB-CE2 4.46Å; E405-Y408 HydrophobicContact CG-CE2 3.95Å; E405-Y408 PolarHBondContact O-N 2.66Å
409N89.3Confident69Low68 Ų6884.4 Ų84.436%0.36444%0.443SS..  trans-96.397.1177.4-143.6-2.1000108.7E405 D411E405-N409 HydrophobicContact CG-CB 4.08Å; E405-N409 VanDerWaalsContact O-CB 3.23Å; E405-N409 WeakPolarHBondContact O-CB 3.45Å; E405-N409 PolarHBondContact O-N 2.74Å; E405-N409 PolarHBondContact OE1-ND2 2.74Å; N409-D411 PolarHBondContact O-N 3.3Å
410D67.7Low66.4Low109 Ų10991.2 Ų91.258%0.58348%0.479SS*.  trans-74.441.2177.1-74.2-15.1000111.5K348 E412K348-D410 VanDerWaalsContact NZ-CG 3.31Å; K348-D410 IonicContact NZ-OD1 2.8Å; K348-D410 PolarHBondContact NZ-OD1 3.06Å; K348-D410 IonicContact NZ-OD2 3.99Å; K348-D410 PolarHBondContact NZ-OD2 3.2Å; D410-E412 PolarHBondContact O-N 3.2Å
411D52.2Low63.6Low131 Ų131100.1 Ų100.170%0.70152%0.52SS*.  trans-64.890.6160.1-84.8-18.3000105.3N409 I413N409-D411 PolarHBondContact O-N 3.3Å; D411-I413 VanDerWaalsContact C-N 3.3Å; D411-I413 PolarHBondContact O-N 3.24Å
412E45.5Very low61Low170 Ų170108.8 Ų108.879%0.79456%0.561SS**  trans-44.2106.6163.6-78.2-174164.800105D410 E414D410-E412 PolarHBondContact O-N 3.2Å; E412-E414 PolarHBondContact O-N 3.1Å
413I41.3Very low58.5Low150 Ų150116.3 Ų116.377%0.76960%0.596SS**  trans-60.691.2156.1-62.1167.7000101.9D411 M415D411-I413 VanDerWaalsContact C-N 3.3Å; D411-I413 PolarHBondContact O-N 3.24Å; I413-M415 HydrophobicContact CG2-CG 3.86Å; I413-M415 PolarHBondContact O-N 2.66Å
414E35.5Very low56.1Low171 Ų171125.3 Ų125.380%0.79966%0.659SS**  trans-52.587.8152.3-86.1-168.815600103.2E412 G416E412-E414 PolarHBondContact O-N 3.1Å; E414-G416 PolarHBondContact O-N 3.39Å
415M33.1Very low54.2Low163 Ų163131.4 Ų131.480%0.80369%0.69SS**  trans-61.789.3159.4-77.2-151.7-6000103.2I413 N417I413-M415 HydrophobicContact CG2-CG 3.86Å; I413-M415 PolarHBondContact O-N 2.66Å; M415-N417 PolarHBondContact O-N 3.39Å
416G28.9Very low52.2Low59 Ų59132.8 Ų132.861%0.60870%0.701SS**  trans-46.9109.2175.200000106.4E414 P418E414-G416 PolarHBondContact O-N 3.39Å; G416-P418 WeakPolarHBondContact O-CD 3Å; G416-P418 WeakPolarHBondContact O-CG 3.14Å
417N31.5Very low49.9Very low108 Ų108133.6 Ų133.658%0.57870%0.704SS**  trans-60.5110.8-177.1-168.9-0.1000106.9M415 E419M415-N417 PolarHBondContact O-N 3.39Å; N417-E419 PolarHBondContact O-N 3.15Å
418P39.4Very low47.3Very low124 Ų124139.4 Ų139.481%0.80574%0.735SS**THydrogen-bonded Turntrans-70.34.1-174.2-1631.1000113.4G416G416-P418 WeakPolarHBondContact O-CD 3Å; G416-P418 WeakPolarHBondContact O-CG 3.14Å
419E38.2Very low44.4Very low168 Ų168144.7 Ų144.779%0.78577%0.768SS**THydrogen-bonded Turntrans-101.19.1-170.5-66.5-163152.100115.9N417N417-E419 PolarHBondContact O-N 3.15Å
420L41.4Very low41.4Very low145 Ų145149.8 Ų149.876%0.75979%0.794SS**SBendtrans-115.44.1-178.7-78.3167.1000117.6
421E37.3Very low39.5Very low189 Ų189152.7 Ų152.788%0.88381%0.81SS**SBendtrans-105.214178.3-76.3-163157.100116.4
422Q41.8Very low38.6Very low182 Ų182154.4 Ų154.485%0.8582%0.818SS**SBendtrans-107.513.2178.9-73-164.716.300117.1
423H42Very low38Very low188 Ų188153.1 Ų153.187%0.8782%0.82SS**  trans-138.286.5168.7-73.1-51.4000111.7
424S45.5Very low37.7Very low190 Ų190153.4 Ų153.4100%1.32983%0.825SS**  trans-142.90163.7-60.80000110.1

Retrieved 424 of 424 residues in 352.4 ms (Link to these results)

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