A0A3Q0KBJ2_SCHMA Loading...

S-adenosylmethionine synthase

Catalyzes the formation of S-adenosylmethionine from methionine and ATP.

AlphaFold DB , UniProt , Accession A0A3Q0KBJ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 392 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
1M42.9Very low54.8Low225 Ų225109 Ų109100%1.10869%0.687SS**  0134.40-70.1-90.5-100.600107.8
2P54.4Low55.2Low60 Ų60104.8 Ų104.839%0.3966%0.664SS.*  trans-59.6136.5169.3-12.726.8000109.1F4P2-F4 HydrophobicContact CB-CD1 4.35Å; P2-F4 HydrophobicContact CB-CE1 3.82Å; P2-F4 HydrophobicContact CB-CE2 4.17Å; P2-F4 HydrophobicContact CB-CZ 3.73Å; P2-F4 HydrophobicContact CG-CE1 4.2Å; P2-F4 HydrophobicContact CG-CE2 4.29Å; P2-F4 HydrophobicContact CG-CZ 3.73Å; P2-F4 PolarHBondContact O-N 3.46Å
3V60.3Low57.4Low122 Ų122104.2 Ų104.274%0.73965%0.653SS**  trans-81.4110.9166.2-1790000105.7
4F70.8Confident60Low167 Ų16798.1 Ų98.173%0.73261%0.614SS**  trans-88.1138.1173.9-57.8-70000108.6P2P2-F4 HydrophobicContact CB-CD1 4.35Å; P2-F4 HydrophobicContact CB-CE1 3.82Å; P2-F4 HydrophobicContact CB-CE2 4.17Å; P2-F4 HydrophobicContact CB-CZ 3.73Å; P2-F4 HydrophobicContact CG-CE1 4.2Å; P2-F4 HydrophobicContact CG-CE2 4.29Å; P2-F4 HydrophobicContact CG-CZ 3.73Å; P2-F4 PolarHBondContact O-N 3.46Å
5T62.8Low62.3Low40 Ų4093.9 Ų93.925%0.24558%0.583CS.*  trans-136.5139.5174176.70000108.9G7 T14 L16T5-G7 PolarHBondContact OG1-N 2.91Å; T5-T14 PolarHBondContact OG1-O 3.44Å; T5-L16 HydrophobicContact CG2-CG 4.41Å
6N66Low64.4Low150 Ų15090.3 Ų90.380%0.80256%0.559SS**BIsolated β-bridgetrans-122.520.2171.8-86.4-13000111
7G55.7Low66.4Low27 Ų2788.2 Ų88.228%0.27854%0.54SS..  trans64.6157.3-158.800000110.4T5 T14T5-G7 PolarHBondContact OG1-N 2.91Å; G7-T14 PolarHBondContact N-O 3.35Å
8G47.7Very low68.2Low68 Ų6886.2 Ų86.270%0.70153%0.528SS*.  trans162.6-17.5177.400000117
9D43.8Very low69.8Low140 Ų14081.8 Ų81.875%0.74950%0.501SS*.SBendtrans-120.3140.5171.9-71.8-35.4000109.4G11 S12D9-G11 PolarHBondContact O-N 3.45Å; D9-S12 PolarHBondContact O-N 3.41Å; D9-S12 VanDerWaalsContact O-N 3.14Å
10A47.5Very low71.3Confident123 Ų12381.6 Ų81.6100%1.01749%0.494SS*.THydrogen-bonded Turntrans-60.629.8-167.600000117.1
11G51.4Low72.6Confident77 Ų7777.7 Ų77.779%0.79447%0.471SS*.THydrogen-bonded Turntrans-142-3.917300000115.4D9D9-G11 PolarHBondContact O-N 3.45Å
12S58.7Low75.2Confident59 Ų5967 Ų6741%0.41342%0.418SS..  trans-150.996.7172.571.50000113.1D9 T14D9-S12 PolarHBondContact O-N 3.41Å; D9-S12 VanDerWaalsContact O-N 3.14Å; S12-T14 PolarHBondContact O-N 3.12Å
13D84Confident77.3Confident97 Ų9764.2 Ų64.252%0.51940%0.4SS..  trans-75.743.7169-77.4-25.3000111.7L186 N187D13-L186 HydrophobicContact CB-CD1 4.22Å; D13-N187 HydrophobicContact CB-CB 4.19Å; D13-N187 PolarHBondContact O-N 3.1Å
14T93.4Very high79.2Confident18 Ų1858.8 Ų58.811%0.1137%0.366CS..EExtended strand (participates in β ladder)trans-97.2142.6178.2700000112.3T5 G7 S12 Y185 L186 L195T5-T14 PolarHBondContact OG1-O 3.44Å; G7-T14 PolarHBondContact N-O 3.35Å; S12-T14 PolarHBondContact O-N 3.12Å; T14-Y185 CarbonylContact C-O 3.52Å; T14-Y185 WeakPolarHBondContact CA-O 3.43Å; T14-Y185 WeakPolarHBondContact CB-O 3.39Å; T14-L186 HydrophobicContact CG2-CD1 4.12Å; T14-L195 HydrophobicContact CG2-CD1 3.73Å
15F94.8Very high80.5Confident35 Ų3550.8 Ų50.815%0.15433%0.331CS..EExtended strand (participates in β ladder)trans-143.4159.2179.765.9-83.3000110.8F17 E184 Y185 N187 C192 W271F15-F17 HydrophobicContact CE2-CB 4.22Å; F15-E184 WeakPolarHBondContact O-CA 3.38Å; F15-Y185 HydrophobicContact CE2-CD2 4.33Å; F15-Y185 HydrophobicContact CE2-CG 4.3Å; F15-Y185 VanDerWaalsContact CZ-CB 3.46Å; F15-Y185 HydrophobicContact CZ-CG 4.05Å; F15-Y185 PolarHBondContact N-O 2.75Å; F15-Y185 PolarHBondContact O-N 3.41Å; F15-N187 HydrophobicContact CE1-CB 4.2Å; F15-C192 HydrophobicContact CZ-CB 4.4Å; F15-W271 AromaticContact CE2-CH2 3.72Å; F15-W271 HydrophobicContact CE2-CH2 3.72Å; F15-W271 HydrophobicContact CE2-CZ3 4.38Å; F15-W271 AromaticContact CZ-CH2 3.93Å; F15-W271 HydrophobicContact CZ-CH2 3.93Å; F15-W271 HydrophobicContact CZ-CZ3 4.47Å
16L96.6Very high82.2Confident37 Ų3749 Ų4919%0.19432%0.32CS..EExtended strand (participates in β ladder)trans-99.5135.6175-60.2-177.7000110.3T5 T182 E184 H198T5-L16 HydrophobicContact CG2-CG 4.41Å; L16-T182 HydrophobicContact CB-CG2 4Å; L16-T182 HydrophobicContact CD1-CG2 4.48Å; L16-T182 HydrophobicContact CD2-CG2 4.43Å; L16-E184 HydrophobicContact CD2-CB 3.74Å; L16-E184 HydrophobicContact CD2-CG 4.06Å; L16-H198 HydrophobicContact CD2-CB 3.94Å
17F98.2Very high83.8Confident54 Ų5441.9 Ų41.924%0.23728%0.282CS..EExtended strand (participates in β ladder)trans-130.8144.9170.4-156.5-82.2000110.6F15 T150 T182 V183 Y185 G270 W271F15-F17 HydrophobicContact CE2-CB 4.22Å; F17-T150 WeakPolarHBondContact O-CG2 3.44Å; F17-T182 CarbonylContact O-C 3.5Å; F17-T182 VanDerWaalsContact O-CA 3.27Å; F17-T182 WeakPolarHBondContact O-CA 3.21Å; F17-V183 PolarHBondContact N-O 3.32Å; F17-V183 PolarHBondContact O-N 3.36Å; F17-Y185 HydrophobicContact CB-CD2 4.13Å; F17-Y185 HydrophobicContact CB-CE2 4.05Å; F17-G270 WeakPolarHBondContact CZ-O 3.42Å; F17-W271 HydrophobicContact CB-CH2 3.97Å; F17-W271 HydrophobicContact CB-CZ2 3.42Å; F17-W271 VanDerWaalsContact CB-CZ2 3.42Å; F17-W271 AromaticContact CD1-CD1 3.75Å; F17-W271 AromaticContact CD1-CD2 3.97Å; F17-W271 HydrophobicContact CD1-CD2 3.97Å; F17-W271 AromaticContact CD1-CE2 3.23Å; F17-W271 HydrophobicContact CD1-CG 4.29Å; F17-W271 HydrophobicContact CD1-CH2 4.46Å; F17-W271 AromaticContact CD1-CZ2 3.55Å; F17-W271 HydrophobicContact CD1-CZ2 3.55Å; F17-W271 AromaticContact CD1-NE1 3.09Å; F17-W271 HydrophobicContact CD2-CD2 4.35Å; F17-W271 HydrophobicContact CD2-CE3 4.43Å; F17-W271 AromaticContact CD2-CH2 3.96Å; F17-W271 HydrophobicContact CD2-CH2 3.96Å; F17-W271 AromaticContact CD2-CZ2 3.84Å; F17-W271 HydrophobicContact CD2-CZ2 3.84Å; F17-W271 HydrophobicContact CD2-CZ3 4.24Å; F17-W271 AromaticContact CE1-CD1 3.42Å; F17-W271 VanDerWaalsContact CE1-CD1 3.42Å; F17-W271 AromaticContact CE1-CD2 3.83Å; F17-W271 HydrophobicContact CE1-CD2 3.83Å; F17-W271 AromaticContact CE1-CE2 3.57Å; F17-W271 AromaticContact CE1-CG 3.8Å; F17-W271 HydrophobicContact CE1-CG 3.8Å; F17-W271 HydrophobicContact CE1-CZ2 4.27Å; F17-W271 AromaticContact CE1-NE1 3.3Å; F17-W271 VanDerWaalsContact CE1-NE1 3.3Å; F17-W271 HydrophobicContact CE2-CD2 4.21Å; F17-W271 HydrophobicContact CE2-CE3 4.31Å; F17-W271 HydrophobicContact CE2-CZ3 4.5Å; F17-W271 HydrophobicContact CG-CD2 4.23Å; F17-W271 AromaticContact CG-CE2 3.49Å; F17-W271 VanDerWaalsContact CG-CE2 3.49Å; F17-W271 AromaticContact CG-CH2 3.87Å; F17-W271 HydrophobicContact CG-CH2 3.87Å; F17-W271 AromaticContact CG-CZ2 3.29Å; F17-W271 HydrophobicContact CG-CZ2 3.29Å; F17-W271 AromaticContact CG-NE1 3.85Å; F17-W271 AromaticContact CZ-CD2 3.95Å; F17-W271 HydrophobicContact CZ-CD2 3.95Å; F17-W271 HydrophobicContact CZ-CE3 4.44Å; F17-W271 HydrophobicContact CZ-CG 4.07Å
18T98.7Very high85.8Confident53 Ų5341 Ų4133%0.32527%0.271SS..EExtended strand (participates in β ladder)trans-129.3134-174.5-56.10000110.9Q180 V181 T182T18-Q180 VanDerWaalsContact CG2-CD 3.45Å; T18-Q180 HydrophobicContact CG2-CG 3.26Å; T18-V181 WeakPolarHBondContact CA-O 3.31Å; T18-T182 WeakPolarHBondContact CG2-OG1 3.42Å; T18-T182 WeakPolarHBondContact OG1-CB 3.3Å; T18-T182 WeakPolarHBondContact OG1-CG2 3.46Å; T18-T182 PolarHBondContact OG1-OG1 3.03Å
19S98.9Very high88.2Confident3 Ų337.8 Ų37.82%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-125.3153.7167.9-560000109.8T150 S154 Q180 V181 G269S19-T150 VanDerWaalsContact OG-CB 3.25Å; S19-T150 WeakPolarHBondContact OG-CB 3.41Å; S19-T150 PolarHBondContact OG-OG1 2.97Å; S19-S154 PolarHBondContact O-OG 3.3Å; S19-Q180 WeakPolarHBondContact O-CA 3.27Å; S19-Q180 WeakPolarHBondContact O-CG 3.49Å; S19-V181 PolarHBondContact N-O 3.22Å; S19-V181 VanDerWaalsContact N-O 3.12Å; S19-V181 PolarHBondContact O-N 3.43Å; S19-G269 VanDerWaalsContact CB-O 3.27Å; S19-G269 WeakPolarHBondContact CB-O 3.27Å; S19-G269 PolarHBondContact OG-O 3.19Å
20E98.9Very high90.9Very high77 Ų7731.1 Ų31.136%0.3620%0.202SC..EExtended strand (participates in β ladder)trans-116.9162.2172.165.4167.8-157.700111.8T179 Q180 V265E20-T179 CarbonylContact C-O 3.55Å; E20-T179 VanDerWaalsContact CA-O 3.26Å; E20-T179 WeakPolarHBondContact CA-O 3.31Å; E20-Q180 HydrophobicContact CB-CB 4.23Å; E20-Q180 HydrophobicContact CB-CG 4.18Å; E20-V265 HydrophobicContact CG-CG2 4.15Å
21S98.9Very high93.3Very high0 Ų025.2 Ų25.20%015%0.154CC..EExtended strand (participates in β ladder)trans-145159.9168.3173.70000109S154 H155 N158 T179S21-S154 VanDerWaalsContact CB-C 3.42Å; S21-S154 WeakPolarHBondContact CB-O 3.29Å; S21-H155 VanDerWaalsContact CB-ND1 3.35Å; S21-H155 WeakPolarHBondContact CB-ND1 3.39Å; S21-H155 PolarHBondContact OG-ND1 3.05Å; S21-N158 VanDerWaalsContact C-ND2 3.26Å; S21-N158 VanDerWaalsContact CB-ND2 3.31Å; S21-N158 WeakPolarHBondContact CB-ND2 3.45Å; S21-N158 PolarHBondContact O-ND2 3.44Å; S21-N158 PolarHBondContact OG-ND2 2.76Å; S21-N158 VanDerWaalsContact OG-ND2 3.09Å; S21-T179 PolarHBondContact N-O 3.43Å; S21-T179 PolarHBondContact O-N 3.16Å; S21-T179 VanDerWaalsContact O-O 3.11Å
22V98.8Very high95.6Very high1 Ų121.6 Ų21.61%0.00612%0.116CC..EExtended strand (participates in β ladder)trans-128.8155174.7-57.10000110.5H26 K29 S177 K178 K262V22-H26 HydrophobicContact CB-CB 3.7Å; V22-H26 HydrophobicContact CG2-CB 3.76Å; V22-K29 HydrophobicContact CG2-CB 4.39Å; V22-K29 HydrophobicContact CG2-CD 4.49Å; V22-K29 HydrophobicContact CG2-CG 3.39Å; V22-S177 CarbonylContact C-O 3.56Å; V22-S177 VanDerWaalsContact CA-O 3.29Å; V22-S177 WeakPolarHBondContact CA-O 3.46Å; V22-S177 WeakPolarHBondContact CB-O 3.27Å; V22-K178 HydrophobicContact CG1-CB 4.25Å; V22-K178 HydrophobicContact CG1-CG 3.96Å; V22-K262 HydrophobicContact CG1-CD 4.3Å; V22-K262 HydrophobicContact CG2-CD 3.97Å; V22-K262 HydrophobicContact CG2-CG 4.22Å
23G98.6Very high97.5Very high0 Ų019 Ų190%010%0.097CC..  trans-82.3175.6-179.900000113.7G25 H26 N158 S177G23-G25 PolarHBondContact O-N 3.05Å; G23-G25 VanDerWaalsContact O-N 3.15Å; G23-H26 WeakPolarHBondContact O-CB 3.32Å; G23-H26 PolarHBondContact O-N 2.87Å; G23-H26 VanDerWaalsContact O-N 3.13Å; G23-N158 PolarHBondContact N-OD1 2.62Å; G23-S177 WeakPolarHBondContact CA-OG 3.39Å; G23-S177 PolarHBondContact N-O 3.08Å
24E98.7Very high98.2Very high8 Ų814.4 Ų14.44%0.0377%0.073CC..THydrogen-bonded Turntrans-57.6-28.3-178.1-65.6169.7-85.400113.7Q33 H86 I87 A162 R165 R166 V373 Y374E24-Q33 PolarHBondContact O-NE2 2.83Å; E24-H86 IonicContact OE2-NE2 2.67Å; E24-I87 HydrophobicContact CB-CG1 4.33Å; E24-I87 HydrophobicContact CB-CG2 4.32Å; E24-I87 WeakPolarHBondContact O-CG2 3.34Å; E24-A162 WeakPolarHBondContact OE1-CB 3.17Å; E24-R165 IonicContact OE1-NH2 2.72Å; E24-R166 VanDerWaalsContact CD-NH2 3.32Å; E24-R166 IonicContact OE1-CZ 3.43Å; E24-R166 VanDerWaalsContact OE1-CZ 3.31Å; E24-R166 IonicContact OE1-NH1 3.37Å; E24-R166 PolarHBondContact OE1-NH1 3.41Å; E24-R166 IonicContact OE1-NH2 3.04Å; E24-R166 PolarHBondContact OE1-NH2 2.9Å; E24-R166 IonicContact OE2-CZ 2.7Å; E24-R166 IonicContact OE2-NH1 3.8Å; E24-R166 PolarHBondContact OE2-NH1 2.68Å; E24-R166 IonicContact OE2-NH2 3.65Å; E24-R166 PolarHBondContact OE2-NH2 3.2Å; E24-V373 HydrophobicContact CB-CG2 4.49Å; E24-V373 HydrophobicContact CG-CB 4.46Å; E24-V373 HydrophobicContact CG-CG1 4.21Å; E24-V373 HydrophobicContact CG-CG2 3.75Å; E24-Y374 HydrophobicContact CG-CE2 4.17Å; E24-Y374 WeakPolarHBondContact CG-OH 3.35Å; E24-Y374 PolarHBondContact OE1-OH 2.89Å
25G98.5Very high98.5Very high0 Ų013.5 Ų13.50%07%0.067CC..THydrogen-bonded Turntrans-91.9-3.1-179.100000115.6G23 Y89 P175G23-G25 PolarHBondContact O-N 3.05Å; G23-G25 VanDerWaalsContact O-N 3.15Å; G25-Y89 WeakPolarHBondContact O-CE2 3.2Å; G25-Y89 PolarHBondContact O-OH 3.48Å; G25-P175 VanDerWaalsContact CA-O 3.27Å; G25-P175 WeakPolarHBondContact CA-O 3.35Å; G25-P175 PolarHBondContact N-O 3.14Å; G25-P175 VanDerWaalsContact N-O 3.1Å
26H98.7Very high98.7Very high3 Ų311.9 Ų11.91%0.0146%0.06CC..SBendtrans-61.9132.3174.5179.8-72.6000109.4V22 G23 D28 K29 V30 D176 K178 K262V22-H26 HydrophobicContact CB-CB 3.7Å; V22-H26 HydrophobicContact CG2-CB 3.76Å; G23-H26 WeakPolarHBondContact O-CB 3.32Å; G23-H26 PolarHBondContact O-N 2.87Å; G23-H26 VanDerWaalsContact O-N 3.13Å; H26-D28 IonicContact CE1-OD2 3.53Å; H26-D28 PolarHBondContact CE1-OD2 3.22Å; H26-D28 VanDerWaalsContact CE1-OD2 3.25Å; H26-D28 PolarHBondContact ND1-N 3.05Å; H26-D28 IonicContact ND1-OD2 3.57Å; H26-D28 PolarHBondContact O-N 3.26Å; H26-D28 VanDerWaalsContact O-N 3.16Å; H26-K29 HydrophobicContact CB-CB 4.33Å; H26-K29 CarbonylContact O-C 3.52Å; H26-K29 WeakPolarHBondContact O-CA 3.43Å; H26-K29 PolarHBondContact O-N 3.47Å; H26-V30 PolarHBondContact O-N 3.06Å; H26-D176 WeakPolarHBondContact CA-OD1 3.31Å; H26-D176 IonicContact CD2-OD1 3.4Å; H26-K178 WeakPolarHBondContact NE2-CE 3.27Å; H26-K262 WeakPolarHBondContact CE1-CE 3.24Å
27P98.6Very high98.8Very high0 Ų010.5 Ų10.50%05%0.054CC..Hα-helixtrans-50.3-47.6-171.1-32.438.8000114.8K29 V30 C31 V57 G251 D255 G257P27-K29 VanDerWaalsContact C-N 3.29Å; P27-K29 PolarHBondContact O-N 2.92Å; P27-V30 WeakPolarHBondContact O-CB 3.16Å; P27-V30 PolarHBondContact O-N 3.48Å; P27-V30 VanDerWaalsContact O-N 3.16Å; P27-C31 PolarHBondContact O-N 2.6Å; P27-C31 VanDerWaalsContact O-N 3.12Å; P27-V57 HydrophobicContact CB-CG2 3.98Å; P27-V57 WeakPolarHBondContact O-CG2 3.45Å; P27-G251 VanDerWaalsContact CG-C 3.44Å; P27-G251 WeakPolarHBondContact CG-O 3.22Å; P27-D255 HydrophobicContact CG-CB 4.23Å; P27-G257 VanDerWaalsContact CB-CA 3.46Å
28D98.8Very high98.8Very high7 Ų78 Ų84%0.0374%0.043CC..Hα-helixtrans-60.3-36.9175.1-63-33.7000113.2H26 C31 D32 G257 L258 R261 K262H26-D28 IonicContact CE1-OD2 3.53Å; H26-D28 PolarHBondContact CE1-OD2 3.22Å; H26-D28 VanDerWaalsContact CE1-OD2 3.25Å; H26-D28 PolarHBondContact ND1-N 3.05Å; H26-D28 IonicContact ND1-OD2 3.57Å; H26-D28 PolarHBondContact O-N 3.26Å; H26-D28 VanDerWaalsContact O-N 3.16Å; D28-C31 WeakPolarHBondContact O-CB 3.46Å; D28-C31 PolarHBondContact O-N 3.34Å; D28-D32 PolarHBondContact O-N 3.18Å; D28-G257 VanDerWaalsContact OD1-CA 3.31Å; D28-G257 WeakPolarHBondContact OD1-CA 3.49Å; D28-L258 PolarHBondContact OD1-N 3.08Å; D28-R261 HydrophobicContact CB-CB 4.11Å; D28-R261 VanDerWaalsContact CG-CB 3.45Å; D28-R261 WeakPolarHBondContact OD2-CB 3.49Å; D28-K262 HydrophobicContact CB-CG 3.68Å; D28-K262 IonicContact OD2-NZ 2.83Å; D28-K262 PolarHBondContact OD2-NZ 2.71Å
29K98.8Very high98.8Very high1 Ų15.4 Ų5.40%0.0043%0.028CC..Hα-helixtrans-76.2-24.8176.3-75-44.9-164178.30113.7V22 H26 P27 C31 D32 Q33 K262 D266 A372V22-K29 HydrophobicContact CG2-CB 4.39Å; V22-K29 HydrophobicContact CG2-CD 4.49Å; V22-K29 HydrophobicContact CG2-CG 3.39Å; H26-K29 HydrophobicContact CB-CB 4.33Å; H26-K29 CarbonylContact O-C 3.52Å; H26-K29 WeakPolarHBondContact O-CA 3.43Å; H26-K29 PolarHBondContact O-N 3.47Å; P27-K29 VanDerWaalsContact C-N 3.29Å; P27-K29 PolarHBondContact O-N 2.92Å; K29-C31 VanDerWaalsContact C-N 3.31Å; K29-D32 HydrophobicContact CD-CB 4.11Å; K29-D32 VanDerWaalsContact CD-OD2 3.25Å; K29-D32 WeakPolarHBondContact CD-OD2 3.39Å; K29-D32 IonicContact NZ-OD2 3.41Å; K29-D32 PolarHBondContact NZ-OD2 3.1Å; K29-Q33 WeakPolarHBondContact O-CB 3.47Å; K29-Q33 VanDerWaalsContact O-CG 3.28Å; K29-Q33 WeakPolarHBondContact O-CG 3.36Å; K29-Q33 PolarHBondContact O-N 3.17Å; K29-Q33 VanDerWaalsContact O-N 3.11Å; K29-Q33 PolarHBondContact O-NE2 2.81Å; K29-K262 HydrophobicContact CD-CB 4.23Å; K29-K262 HydrophobicContact CD-CG 4.47Å; K29-D266 WeakPolarHBondContact CE-OD1 3.25Å; K29-D266 IonicContact NZ-OD1 3.24Å; K29-D266 PolarHBondContact NZ-OD1 2.84Å; K29-D266 IonicContact NZ-OD2 2.67Å; K29-D266 PolarHBondContact NZ-OD2 3.38Å; K29-A372 WeakPolarHBondContact CD-O 3.29Å; K29-A372 WeakPolarHBondContact CE-O 3.45Å; K29-A372 PolarHBondContact NZ-O 3.48Å
30V98.8Very high98.8Very high0 Ų05.8 Ų5.80%03%0.029CC..Hα-helixtrans-60.9-46.4165.4-178.10000109.2H26 P27 Q33 I34 V57 I87 Y89H26-V30 PolarHBondContact O-N 3.06Å; P27-V30 WeakPolarHBondContact O-CB 3.16Å; P27-V30 PolarHBondContact O-N 3.48Å; P27-V30 VanDerWaalsContact O-N 3.16Å; V30-Q33 PolarHBondContact O-N 2.74Å; V30-I34 HydrophobicContact CG1-CD1 3.78Å; V30-I34 VanDerWaalsContact O-CG1 3.28Å; V30-I34 WeakPolarHBondContact O-CG1 3.37Å; V30-I34 PolarHBondContact O-N 3.14Å; V30-V57 HydrophobicContact CG1-CG1 4.22Å; V30-I87 HydrophobicContact CB-CD1 4.33Å; V30-I87 HydrophobicContact CG1-CD1 4.12Å; V30-I87 HydrophobicContact CG2-CD1 4.11Å; V30-Y89 HydrophobicContact CG2-CD2 4.48Å; V30-Y89 HydrophobicContact CG2-CE2 3.96Å
31C98.9Very high98.8Very high0 Ų04.4 Ų4.40%02%0.023CC..Hα-helixtrans-62-49.1177.9-67.70000113.1P27 D28 K29 Q33 I34 S35 S55 G257 L258 T259P27-C31 PolarHBondContact O-N 2.6Å; P27-C31 VanDerWaalsContact O-N 3.12Å; D28-C31 WeakPolarHBondContact O-CB 3.46Å; D28-C31 PolarHBondContact O-N 3.34Å; K29-C31 VanDerWaalsContact C-N 3.31Å; C31-Q33 VanDerWaalsContact C-N 3.33Å; C31-Q33 PolarHBondContact O-N 3.36Å; C31-I34 PolarHBondContact O-N 3.44Å; C31-I34 VanDerWaalsContact O-N 3.17Å; C31-S35 WeakPolarHBondContact O-CB 3.26Å; C31-S35 PolarHBondContact O-N 3.12Å; C31-S35 PolarHBondContact O-OG 2.67Å; C31-S55 WeakPolarHBondContact CB-O 3.36Å; C31-S55 VanDerWaalsContact SG-C 3.6Å; C31-S55 PolarHBondContact SG-O 2.95Å; C31-G257 PolarHBondContact SG-O 2.82Å; C31-L258 VanDerWaalsContact CB-C 3.49Å; C31-T259 WeakPolarHBondContact CB-OG1 3.44Å; C31-T259 PolarHBondContact O-OG1 2.96Å
32D98.9Very high98.8Very high0 Ų05.2 Ų5.20%03%0.026CC..Hα-helixtrans-56.3-46.3178-76-35.9000111.9D28 K29 S35 D36 G260 S280 A372D28-D32 PolarHBondContact O-N 3.18Å; K29-D32 HydrophobicContact CD-CB 4.11Å; K29-D32 VanDerWaalsContact CD-OD2 3.25Å; K29-D32 WeakPolarHBondContact CD-OD2 3.39Å; K29-D32 IonicContact NZ-OD2 3.41Å; K29-D32 PolarHBondContact NZ-OD2 3.1Å; D32-S35 PolarHBondContact O-N 3.47Å; D32-D36 PolarHBondContact O-N 2.94Å; D32-G260 PolarHBondContact OD1-N 2.87Å; D32-S280 VanDerWaalsContact CB-OG 3.23Å; D32-S280 WeakPolarHBondContact CB-OG 3.44Å; D32-S280 VanDerWaalsContact OD1-CB 3.28Å; D32-S280 WeakPolarHBondContact OD1-CB 3.38Å; D32-S280 PolarHBondContact OD1-OG 2.91Å; D32-A372 HydrophobicContact CB-CB 4.18Å
33Q98.9Very high98.8Very high5 Ų55.3 Ų5.32%0.0233%0.027CC..Hα-helixtrans-64.5-40.1177.5-73.8169.99000112.2E24 K29 V30 C31 A37 V83 L369 A372E24-Q33 PolarHBondContact O-NE2 2.83Å; K29-Q33 WeakPolarHBondContact O-CB 3.47Å; K29-Q33 VanDerWaalsContact O-CG 3.28Å; K29-Q33 WeakPolarHBondContact O-CG 3.36Å; K29-Q33 PolarHBondContact O-N 3.17Å; K29-Q33 VanDerWaalsContact O-N 3.11Å; K29-Q33 PolarHBondContact O-NE2 2.81Å; V30-Q33 PolarHBondContact O-N 2.74Å; C31-Q33 VanDerWaalsContact C-N 3.33Å; C31-Q33 PolarHBondContact O-N 3.36Å; Q33-A37 VanDerWaalsContact O-CB 3.27Å; Q33-A37 WeakPolarHBondContact O-CB 3.45Å; Q33-A37 PolarHBondContact O-N 2.91Å; Q33-V83 HydrophobicContact CB-CG1 3.78Å; Q33-L369 HydrophobicContact CB-CD1 3.81Å; Q33-L369 HydrophobicContact CG-CD1 4.13Å; Q33-L369 VanDerWaalsContact O-CD1 3.3Å; Q33-L369 WeakPolarHBondContact O-CD1 3.46Å; Q33-A372 HydrophobicContact CB-CB 4.41Å; Q33-A372 HydrophobicContact CG-CB 3.87Å
34I98.9Very high98.7Very high0 Ų011.8 Ų11.80%05%0.051CC..Hα-helixtrans-63.3-49.6176.3-71.6166.4000110.6V30 C31 D36 A37 I38 S55 V57 I62 V64 V80 V83 V84V30-I34 HydrophobicContact CG1-CD1 3.78Å; V30-I34 VanDerWaalsContact O-CG1 3.28Å; V30-I34 WeakPolarHBondContact O-CG1 3.37Å; V30-I34 PolarHBondContact O-N 3.14Å; C31-I34 PolarHBondContact O-N 3.44Å; C31-I34 VanDerWaalsContact O-N 3.17Å; I34-D36 VanDerWaalsContact C-N 3.31Å; I34-D36 PolarHBondContact O-N 3.04Å; I34-A37 PolarHBondContact O-N 3Å; I34-I38 HydrophobicContact CG2-CD1 3.95Å; I34-I38 WeakPolarHBondContact O-CG1 3.48Å; I34-I38 PolarHBondContact O-N 3.06Å; I34-S55 WeakPolarHBondContact CG2-OG 3.49Å; I34-V57 HydrophobicContact CD1-CG1 4.37Å; I34-I62 HydrophobicContact CD1-CD1 4.24Å; I34-I62 HydrophobicContact CD1-CG2 3.84Å; I34-V64 HydrophobicContact CG2-CG2 3.97Å; I34-V80 HydrophobicContact CD1-CG1 4.19Å; I34-V80 HydrophobicContact CG2-CG2 3.79Å; I34-V83 HydrophobicContact CG1-CB 4.19Å; I34-V83 HydrophobicContact CG1-CG1 3.86Å; I34-V84 HydrophobicContact CD1-CG2 4.37Å
35S98.9Very high98.7Very high0 Ų015.8 Ų15.80%07%0.07CC..Hα-helixtrans-56.3-44.3179.4-78.90000111.9C31 D32 L39 C53 S55 T259C31-S35 WeakPolarHBondContact O-CB 3.26Å; C31-S35 PolarHBondContact O-N 3.12Å; C31-S35 PolarHBondContact O-OG 2.67Å; D32-S35 PolarHBondContact O-N 3.47Å; S35-L39 PolarHBondContact O-N 3.08Å; S35-L39 VanDerWaalsContact O-N 3.11Å; S35-C53 WeakPolarHBondContact CB-O 3.49Å; S35-C53 PolarHBondContact OG-O 3.48Å; S35-S55 PolarHBondContact OG-N 3.25Å; S35-S55 PolarHBondContact OG-OG 2.73Å; S35-T259 PolarHBondContact OG-OG1 2.64Å
36D98.9Very high98.7Very high0 Ų016.9 Ų16.90%08%0.076CC..Hα-helixtrans-77.6-28.9178.3-86.5-18.8000114.5D32 I34 I38 L39 D40 S280 G281 R289 A372D32-D36 PolarHBondContact O-N 2.94Å; I34-D36 VanDerWaalsContact C-N 3.31Å; I34-D36 PolarHBondContact O-N 3.04Å; D36-I38 VanDerWaalsContact C-N 3.29Å; D36-L39 PolarHBondContact O-N 3.28Å; D36-D40 WeakPolarHBondContact O-CB 3.29Å; D36-D40 PolarHBondContact O-N 2.9Å; D36-S280 WeakPolarHBondContact OD1-CA 3.26Å; D36-G281 PolarHBondContact OD1-N 3.08Å; D36-R289 IonicContact OD1-CZ 3.67Å; D36-R289 VanDerWaalsContact OD1-CZ 3.28Å; D36-R289 IonicContact OD1-NH1 3.57Å; D36-R289 PolarHBondContact OD1-NH1 3.19Å; D36-R289 IonicContact OD1-NH2 3.57Å; D36-R289 PolarHBondContact OD1-NH2 2.86Å; D36-R289 IonicContact OD2-CZ 2.7Å; D36-R289 IonicContact OD2-NH2 2.85Å; D36-R289 PolarHBondContact OD2-NH2 2.88Å; D36-A372 HydrophobicContact CB-CB 4.25Å
37A98.9Very high98.6Very high9 Ų919.9 Ų19.97%0.07410%0.095CC..Hα-helixtrans-64.5-37.9171.400000111.7Q33 I34 D40 E41 T79 V83 L369Q33-A37 VanDerWaalsContact O-CB 3.27Å; Q33-A37 WeakPolarHBondContact O-CB 3.45Å; Q33-A37 PolarHBondContact O-N 2.91Å; I34-A37 PolarHBondContact O-N 3Å; A37-D40 PolarHBondContact O-N 3.46Å; A37-E41 PolarHBondContact O-N 2.82Å; A37-E41 VanDerWaalsContact O-N 3.1Å; A37-T79 HydrophobicContact CB-CG2 3.85Å; A37-V83 HydrophobicContact CB-CG2 3.33Å; A37-L369 HydrophobicContact CB-CD1 4.17Å; A37-L369 HydrophobicContact CB-CD2 4.18Å
38I98.8Very high98.5Very high0 Ų023.9 Ų23.90%011%0.114CC..Hα-helixtrans-66-48174.7-69.4172.1000109.9I34 D36 D40 E41 F42 C53 V64 I68 I76 T79 V80I34-I38 HydrophobicContact CG2-CD1 3.95Å; I34-I38 WeakPolarHBondContact O-CG1 3.48Å; I34-I38 PolarHBondContact O-N 3.06Å; D36-I38 VanDerWaalsContact C-N 3.29Å; I38-D40 VanDerWaalsContact C-N 3.32Å; I38-D40 PolarHBondContact O-N 2.88Å; I38-E41 PolarHBondContact O-N 2.88Å; I38-E41 VanDerWaalsContact O-N 3.14Å; I38-F42 HydrophobicContact CG2-CD2 3.75Å; I38-F42 HydrophobicContact CG2-CE2 3.72Å; I38-F42 VanDerWaalsContact O-CD2 3.31Å; I38-F42 WeakPolarHBondContact O-CD2 3.18Å; I38-F42 PolarHBondContact O-N 2.95Å; I38-C53 HydrophobicContact CG2-CB 4.44Å; I38-V64 HydrophobicContact CD1-CB 4.37Å; I38-V64 HydrophobicContact CD1-CG1 3.41Å; I38-V64 VanDerWaalsContact CD1-CG1 3.41Å; I38-V64 HydrophobicContact CD1-CG2 4.06Å; I38-I68 HydrophobicContact CG2-CD1 4.02Å; I38-I76 HydrophobicContact CD1-CG2 4.08Å; I38-T79 HydrophobicContact CG1-CG2 4.07Å; I38-V80 HydrophobicContact CD1-CG2 4.33Å
39L98.8Very high98.5Very high0 Ų023.5 Ų23.50%011%0.112CC..Hα-helixtrans-52.9-48.9173.617265000112S35 D36 E41 F42 L43 V51 K282 D283 Y368S35-L39 PolarHBondContact O-N 3.08Å; S35-L39 VanDerWaalsContact O-N 3.11Å; D36-L39 PolarHBondContact O-N 3.28Å; L39-E41 VanDerWaalsContact C-N 3.28Å; L39-E41 PolarHBondContact O-N 2.9Å; L39-F42 PolarHBondContact O-N 2.73Å; L39-L43 HydrophobicContact CD1-CD1 3.7Å; L39-L43 HydrophobicContact CD1-CG 3.87Å; L39-L43 HydrophobicContact CG-CD1 3.86Å; L39-L43 HydrophobicContact CG-CG 4.35Å; L39-L43 WeakPolarHBondContact O-CG 3.42Å; L39-L43 PolarHBondContact O-N 2.92Å; L39-V51 HydrophobicContact CB-CG1 4.29Å; L39-V51 HydrophobicContact CD1-CB 3.71Å; L39-V51 HydrophobicContact CD1-CG1 4.02Å; L39-V51 HydrophobicContact CD1-CG2 3.76Å; L39-K282 VanDerWaalsContact CD2-O 3.31Å; L39-K282 WeakPolarHBondContact CD2-O 3.21Å; L39-D283 HydrophobicContact CD1-CB 4.23Å; L39-Y368 HydrophobicContact CD2-CD1 4.14Å; L39-Y368 HydrophobicContact CD2-CD2 3.5Å; L39-Y368 VanDerWaalsContact CD2-CD2 3.5Å; L39-Y368 HydrophobicContact CD2-CE2 4.04Å; L39-Y368 HydrophobicContact CD2-CG 3.54Å; L39-Y368 HydrophobicContact CG-CD2 3.94Å; L39-Y368 HydrophobicContact CG-CG 4.38Å
40D98.8Very high98.4Very high10 Ų1024.1 Ų24.15%0.05312%0.115CC..Hα-helixtrans-60.9-36.6179.9-81.2-16000112.4D36 A37 I38 R44 P366 R367 Y368 L369D36-D40 WeakPolarHBondContact O-CB 3.29Å; D36-D40 PolarHBondContact O-N 2.9Å; A37-D40 PolarHBondContact O-N 3.46Å; I38-D40 VanDerWaalsContact C-N 3.32Å; I38-D40 PolarHBondContact O-N 2.88Å; D40-R44 VanDerWaalsContact O-CB 3.27Å; D40-R44 WeakPolarHBondContact O-CB 3.45Å; D40-R44 PolarHBondContact O-N 3Å; D40-R44 PolarHBondContact O-NH1 3.24Å; D40-P366 HydrophobicContact CB-CB 3.96Å; D40-P366 VanDerWaalsContact O-CB 3.31Å; D40-P366 WeakPolarHBondContact O-CB 3.42Å; D40-P366 VanDerWaalsContact OD1-CA 3.25Å; D40-P366 WeakPolarHBondContact OD1-CA 3.4Å; D40-R367 PolarHBondContact OD1-N 3.07Å; D40-Y368 WeakPolarHBondContact OD1-CB 3.21Å; D40-Y368 WeakPolarHBondContact OD1-CD2 3.41Å; D40-Y368 PolarHBondContact OD1-N 3.28Å; D40-Y368 PolarHBondContact OD2-N 2.94Å; D40-Y368 VanDerWaalsContact OD2-N 3.12Å; D40-L369 VanDerWaalsContact OD2-CB 3.31Å; D40-L369 WeakPolarHBondContact OD2-CB 3.46Å; D40-L369 PolarHBondContact OD2-N 2.92Å
41E98.6Very high98.4Very high48 Ų4824.1 Ų24.122%0.22412%0.115CC..Hα-helixtrans-71.7-37.5178.1-170.851.9-146.300112.6A37 I38 L39 R44 Q45 V74A37-E41 PolarHBondContact O-N 2.82Å; A37-E41 VanDerWaalsContact O-N 3.1Å; I38-E41 PolarHBondContact O-N 2.88Å; I38-E41 VanDerWaalsContact O-N 3.14Å; L39-E41 VanDerWaalsContact C-N 3.28Å; L39-E41 PolarHBondContact O-N 2.9Å; E41-R44 IonicContact OE2-CZ 2.67Å; E41-R44 IonicContact OE2-NH1 3.88Å; E41-R44 PolarHBondContact OE2-NH1 2.91Å; E41-Q45 PolarHBondContact OE1-NE2 2.84Å; E41-V74 HydrophobicContact CB-CG1 3.94Å; E41-V74 HydrophobicContact CB-CG2 4.33Å; E41-V74 HydrophobicContact CG-CB 4.13Å; E41-V74 HydrophobicContact CG-CG1 3.48Å; E41-V74 VanDerWaalsContact CG-CG1 3.48Å; E41-V74 HydrophobicContact CG-CG2 3.81Å
42F98.6Very high98.4Very high18 Ų1825 Ų258%0.07912%0.122CC..Hα-helixtrans-64.1-49.7171.1-84.2-78.1000111.6I38 L39 R44 Q45 D46 A49 V51 I68 A72 V74I38-F42 HydrophobicContact CG2-CD2 3.75Å; I38-F42 HydrophobicContact CG2-CE2 3.72Å; I38-F42 VanDerWaalsContact O-CD2 3.31Å; I38-F42 WeakPolarHBondContact O-CD2 3.18Å; I38-F42 PolarHBondContact O-N 2.95Å; L39-F42 PolarHBondContact O-N 2.73Å; F42-R44 VanDerWaalsContact C-N 3.28Å; F42-R44 PolarHBondContact O-N 3.14Å; F42-Q45 PolarHBondContact O-N 3.4Å; F42-Q45 VanDerWaalsContact O-N 3.16Å; F42-D46 PolarHBondContact O-N 2.88Å; F42-A49 HydrophobicContact CB-CB 3.99Å; F42-V51 HydrophobicContact CB-CG2 4.08Å; F42-V51 HydrophobicContact CG-CG2 4.39Å; F42-I68 HydrophobicContact CD1-CG2 3.78Å; F42-I68 HydrophobicContact CD2-CD1 3.97Å; F42-I68 HydrophobicContact CD2-CG2 4.14Å; F42-I68 HydrophobicContact CE1-CG2 3.54Å; F42-I68 HydrophobicContact CE2-CD1 3.45Å; F42-I68 VanDerWaalsContact CE2-CD1 3.45Å; F42-I68 HydrophobicContact CE2-CG2 3.91Å; F42-I68 HydrophobicContact CG-CG2 4.1Å; F42-I68 HydrophobicContact CZ-CB 4.46Å; F42-I68 HydrophobicContact CZ-CD1 3.98Å; F42-I68 HydrophobicContact CZ-CG2 3.62Å; F42-A72 HydrophobicContact CD1-CB 3.7Å; F42-A72 HydrophobicContact CE1-CB 4.17Å; F42-V74 HydrophobicContact CD1-CG2 3.78Å; F42-V74 HydrophobicContact CD2-CB 4.39Å; F42-V74 HydrophobicContact CD2-CG2 3.86Å; F42-V74 HydrophobicContact CE1-CB 4.3Å; F42-V74 HydrophobicContact CE1-CG2 3.74Å; F42-V74 HydrophobicContact CE2-CB 3.92Å; F42-V74 HydrophobicContact CE2-CG1 4.15Å; F42-V74 HydrophobicContact CE2-CG2 3.82Å; F42-V74 HydrophobicContact CG-CG2 3.83Å; F42-V74 HydrophobicContact CZ-CB 3.86Å; F42-V74 HydrophobicContact CZ-CG2 3.76Å
43L98.5Very high98.4Very high3 Ų325 Ų252%0.01612%0.122CC..Hα-helixtrans-64.8-29.5-178.9-71.6178000113.8L39 Q45 D46 A49 P366 Y368L39-L43 HydrophobicContact CD1-CD1 3.7Å; L39-L43 HydrophobicContact CD1-CG 3.87Å; L39-L43 HydrophobicContact CG-CD1 3.86Å; L39-L43 HydrophobicContact CG-CG 4.35Å; L39-L43 WeakPolarHBondContact O-CG 3.42Å; L39-L43 PolarHBondContact O-N 2.92Å; L43-Q45 PolarHBondContact O-N 3.26Å; L43-D46 WeakPolarHBondContact CA-O 3.38Å; L43-A49 HydrophobicContact CD2-CB 4.35Å; L43-P366 HydrophobicContact CB-CB 4.28Å; L43-Y368 HydrophobicContact CD1-CD2 3.76Å; L43-Y368 HydrophobicContact CD1-CE2 3.38Å
44R98.2Very high98.4Very high136 Ų13628.5 Ų28.551%0.51314%0.138SC..Hα-helixtrans-62.3-32.5176.1-178.3176.5-68.897.913.5112.6D40 E41 F42 P366D40-R44 VanDerWaalsContact O-CB 3.27Å; D40-R44 WeakPolarHBondContact O-CB 3.45Å; D40-R44 PolarHBondContact O-N 3Å; D40-R44 PolarHBondContact O-NH1 3.24Å; E41-R44 IonicContact OE2-CZ 2.67Å; E41-R44 IonicContact OE2-NH1 3.88Å; E41-R44 PolarHBondContact OE2-NH1 2.91Å; F42-R44 VanDerWaalsContact C-N 3.28Å; F42-R44 PolarHBondContact O-N 3.14Å; R44-P366 HydrophobicContact CB-CG 4.26Å
45Q98.2Very high98.4Very high92 Ų9228.7 Ų28.743%0.4314%0.139SC..Hα-helixtrans-101.3-30.4-178.6-58.7-177.335.700112.2E41 F42 L43 A72 V73E41-Q45 PolarHBondContact OE1-NE2 2.84Å; F42-Q45 PolarHBondContact O-N 3.4Å; F42-Q45 VanDerWaalsContact O-N 3.16Å; L43-Q45 PolarHBondContact O-N 3.26Å; Q45-A72 HydrophobicContact CB-CB 3.6Å; Q45-A72 HydrophobicContact CG-CB 4.33Å; Q45-V73 PolarHBondContact NE2-O 3.01Å; Q45-V73 PolarHBondContact OE1-O 3.25Å
46D98.2Very high98.4Very high23 Ų2331.7 Ų31.712%0.12315%0.152CC..  trans-140.493.2-177.2179.65.7000110.3F42 L43 E48 A49 S70 N71 A72F42-D46 PolarHBondContact O-N 2.88Å; L43-D46 WeakPolarHBondContact CA-O 3.38Å; D46-E48 PolarHBondContact O-N 3.46Å; D46-E48 PolarHBondContact OD1-N 3.01Å; D46-E48 VanDerWaalsContact OD1-N 3.08Å; D46-A49 HydrophobicContact CB-CB 4.27Å; D46-A49 VanDerWaalsContact O-CB 3.22Å; D46-A49 WeakPolarHBondContact O-CB 3.38Å; D46-A49 PolarHBondContact O-N 3.3Å; D46-A49 PolarHBondContact OD1-N 2.69Å; D46-S70 WeakPolarHBondContact CB-OG 3.43Å; D46-S70 VanDerWaalsContact OD2-CA 3.23Å; D46-S70 WeakPolarHBondContact OD2-CA 3.32Å; D46-S70 WeakPolarHBondContact OD2-CB 3.36Å; D46-S70 PolarHBondContact OD2-OG 3.31Å; D46-N71 PolarHBondContact OD2-N 3.16Å; D46-A72 HydrophobicContact CB-CB 4.26Å
47P97.3Very high98.4Very high65 Ų6531.7 Ų31.742%0.42215%0.152SC..THydrogen-bonded Turntrans-60.8-11178.3-26.136000115R364P47-R364 HydrophobicContact CB-CB 4.25Å; P47-R364 WeakPolarHBondContact O-CG 3.19Å
48E96Very high98.4Very high84 Ų8434 Ų3439%0.39316%0.161SC..THydrogen-bonded Turntrans-103.16.7175.9-64.6-56.9145.800113.3D46 K50 Y284 R364D46-E48 PolarHBondContact O-N 3.46Å; D46-E48 PolarHBondContact OD1-N 3.01Å; D46-E48 VanDerWaalsContact OD1-N 3.08Å; E48-K50 PolarHBondContact O-N 3.18Å; E48-K50 PolarHBondContact O-NZ 3.38Å; E48-K50 IonicContact OE2-NZ 3.31Å; E48-Y284 PolarHBondContact OE2-OH 3.48Å; E48-Y284 VanDerWaalsContact OE2-OH 3.1Å; E48-R364 IonicContact OE1-CZ 3.35Å; E48-R364 IonicContact OE1-NE 2.83Å; E48-R364 PolarHBondContact OE1-NE 2.98Å; E48-R364 IonicContact OE1-NH2 2.54Å; E48-R364 PolarHBondContact OE1-NH2 3.32Å; E48-R364 IonicContact OE2-NE 2.74Å; E48-R364 IonicContact OE2-NH2 3.7Å; E48-R364 PolarHBondContact OE2-NH2 2.94Å
49A98.1Very high98.3Very high0 Ų037.2 Ų37.20%018%0.183CC..  trans-51.4133.7177.600000111.7F42 L43 D46 V51F42-A49 HydrophobicContact CB-CB 3.99Å; L43-A49 HydrophobicContact CD2-CB 4.35Å; D46-A49 HydrophobicContact CB-CB 4.27Å; D46-A49 VanDerWaalsContact O-CB 3.22Å; D46-A49 WeakPolarHBondContact O-CB 3.38Å; D46-A49 PolarHBondContact O-N 3.3Å; D46-A49 PolarHBondContact OD1-N 2.69Å; A49-V51 HydrophobicContact CB-CG2 4.08Å
50K98.3Very high98.2Very high14 Ų1439 Ų396%0.06120%0.202CC..EExtended strand (participates in β ladder)trans-99118.6171.1-57.9-63.5176.2-81.80107.7E48 I68 S69 D283E48-K50 PolarHBondContact O-N 3.18Å; E48-K50 PolarHBondContact O-NZ 3.38Å; E48-K50 IonicContact OE2-NZ 3.31Å; K50-I68 WeakPolarHBondContact O-CA 3.43Å; K50-S69 PolarHBondContact N-O 3.03Å; K50-S69 PolarHBondContact O-N 3.47Å; K50-D283 WeakPolarHBondContact CA-OD2 3.4Å
51V98.7Very high98.1Very high0 Ų041 Ų410%021%0.212CC..EExtended strand (participates in β ladder)trans-132.8127.2-171.2-176.20000109L39 F42 A49 C53 I68 G281 K282 D283L39-V51 HydrophobicContact CB-CG1 4.29Å; L39-V51 HydrophobicContact CD1-CB 3.71Å; L39-V51 HydrophobicContact CD1-CG1 4.02Å; L39-V51 HydrophobicContact CD1-CG2 3.76Å; F42-V51 HydrophobicContact CB-CG2 4.08Å; F42-V51 HydrophobicContact CG-CG2 4.39Å; A49-V51 HydrophobicContact CB-CG2 4.08Å; V51-C53 HydrophobicContact CG1-CB 3.85Å; V51-I68 HydrophobicContact CG1-CD1 4.17Å; V51-I68 HydrophobicContact CG1-CG1 4.15Å; V51-I68 HydrophobicContact CG2-CG2 4.21Å; V51-G281 CarbonylContact C-O 3.56Å; V51-G281 WeakPolarHBondContact CG1-O 3.25Å; V51-K282 WeakPolarHBondContact O-CA 3.39Å; V51-D283 HydrophobicContact CB-CB 4.47Å; V51-D283 PolarHBondContact N-OD2 3.14Å; V51-D283 PolarHBondContact O-N 3.35Å; V51-D283 VanDerWaalsContact O-N 3.14Å
52A98.7Very high98.1Very high17 Ų1738.7 Ų38.714%0.1420%0.201CC..EExtended strand (participates in β ladder)trans-134.282.3165.600000107.2G66 E67 G281A52-G66 CarbonylContact O-C 3.57Å; A52-G66 WeakPolarHBondContact O-CA 3.5Å; A52-E67 PolarHBondContact N-O 2.79Å; A52-E67 PolarHBondContact O-N 2.93Å; A52-G281 CarbonylContact C-O 3.31Å; A52-G281 WeakPolarHBondContact CA-O 3.22Å
53C98.7Very high98.1Very high0 Ų040.5 Ų40.50%021%0.211CC..EExtended strand (participates in β ladder)trans-107113.3-171.4-177.40000111.2S35 I38 V51 V64 G65 I68 G281S35-C53 WeakPolarHBondContact CB-O 3.49Å; S35-C53 PolarHBondContact OG-O 3.48Å; I38-C53 HydrophobicContact CG2-CB 4.44Å; V51-C53 HydrophobicContact CG1-CB 3.85Å; C53-V64 VanDerWaalsContact SG-CG1 3.52Å; C53-G65 WeakPolarHBondContact CA-O 3.39Å; C53-I68 HydrophobicContact CB-CD1 4.3Å; C53-G281 PolarHBondContact N-O 3.39Å; C53-G281 WeakPolarHBondContact O-CA 3.48Å
54E98.8Very high98.2Very high80 Ų8040.3 Ų40.337%0.37421%0.211SC..EExtended strand (participates in β ladder)trans-101.3145.1176.9-56.8-62.2172.800110.7V64 G65 T259E54-V64 WeakPolarHBondContact O-CA 3.3Å; E54-G65 PolarHBondContact N-O 2.83Å; E54-G65 PolarHBondContact O-N 2.87Å; E54-T259 VanDerWaalsContact OE2-CB 3.24Å; E54-T259 WeakPolarHBondContact OE2-CB 3.39Å; E54-T259 WeakPolarHBondContact OE2-CG2 3.32Å
55S98.8Very high98.2Very high3 Ų334.2 Ų34.22%0.02119%0.19CC..EExtended strand (participates in β ladder)trans-125.9137.9177.3-58.40000110.7C31 I34 S35 L63 L258 T259C31-S55 WeakPolarHBondContact CB-O 3.36Å; C31-S55 VanDerWaalsContact SG-C 3.6Å; C31-S55 PolarHBondContact SG-O 2.95Å; I34-S55 WeakPolarHBondContact CG2-OG 3.49Å; S35-S55 PolarHBondContact OG-N 3.25Å; S35-S55 PolarHBondContact OG-OG 2.73Å; S55-L63 CarbonylContact C-O 3.43Å; S55-L63 WeakPolarHBondContact CA-O 3.45Å; S55-L258 WeakPolarHBondContact O-CA 3.33Å; S55-T259 WeakPolarHBondContact CB-OG1 3.34Å; S55-T259 PolarHBondContact N-OG1 3.33Å; S55-T259 PolarHBondContact O-N 2.91Å; S55-T259 PolarHBondContact O-OG1 3.5Å
56F98.8Very high98.1Very high63 Ų6330.6 Ų30.628%0.27618%0.178SC..EExtended strand (participates in β ladder)trans-122.9134.5170.3169.7-90.7000109.4K58 L61 I62 L63 A256 G257 L258F56-K58 HydrophobicContact CE1-CB 3.84Å; F56-K58 HydrophobicContact CZ-CB 3.95Å; F56-L61 HydrophobicContact CE1-CD2 4.35Å; F56-I62 WeakPolarHBondContact O-CA 3.37Å; F56-L63 HydrophobicContact CB-CB 4.26Å; F56-L63 HydrophobicContact CD1-CB 4.4Å; F56-L63 PolarHBondContact N-O 2.74Å; F56-L63 PolarHBondContact O-N 2.76Å; F56-A256 HydrophobicContact CE2-CB 4.09Å; F56-A256 HydrophobicContact CZ-CB 4.42Å; F56-G257 WeakPolarHBondContact CA-O 3.33Å; F56-G257 WeakPolarHBondContact CD2-O 3.4Å; F56-L258 HydrophobicContact CB-CD2 3.91Å; F56-L258 HydrophobicContact CD2-CD2 3.59Å; F56-L258 HydrophobicContact CD2-CG 3.89Å; F56-L258 HydrophobicContact CG-CD2 4.25Å
57V98.6Very high98.2Very high0 Ų033.9 Ų33.90%019%0.192CC..EExtended strand (participates in β ladder)trans-126.8139.8175.6-59.40000111.9P27 V30 I34 L61 I62 P252 A256 G257P27-V57 HydrophobicContact CB-CG2 3.98Å; P27-V57 WeakPolarHBondContact O-CG2 3.45Å; V30-V57 HydrophobicContact CG1-CG1 4.22Å; I34-V57 HydrophobicContact CD1-CG1 4.37Å; V57-L61 WeakPolarHBondContact CA-O 3.4Å; V57-I62 HydrophobicContact CG1-CB 4.34Å; V57-I62 HydrophobicContact CG1-CG1 3.97Å; V57-I62 HydrophobicContact CG1-CG2 4.08Å; V57-P252 HydrophobicContact CB-CB 4.18Å; V57-P252 HydrophobicContact CB-CG 4.06Å; V57-P252 HydrophobicContact CG2-CB 4.05Å; V57-P252 HydrophobicContact CG2-CG 3.71Å; V57-A256 WeakPolarHBondContact O-CA 3.28Å; V57-G257 PolarHBondContact N-O 2.86Å; V57-G257 PolarHBondContact O-N 3.46Å
58K98.3Very high98.2Very high59 Ų5931.1 Ų31.126%0.25717%0.174SC..EExtended strand (participates in β ladder)trans-148.8178.3168.1-165.660.6-157.1156.90109.4F56 G60 L61 P252 Q253 S254 D255 A256F56-K58 HydrophobicContact CE1-CB 3.84Å; F56-K58 HydrophobicContact CZ-CB 3.95Å; K58-G60 PolarHBondContact O-N 3.47Å; K58-L61 PolarHBondContact N-O 3.11Å; K58-L61 PolarHBondContact O-N 2.93Å; K58-P252 CarbonylContact C-O 3.53Å; K58-P252 WeakPolarHBondContact CD-O 3.49Å; K58-P252 WeakPolarHBondContact CE-O 3.46Å; K58-P252 PolarHBondContact NZ-O 2.83Å; K58-P252 VanDerWaalsContact NZ-O 3.1Å; K58-Q253 PolarHBondContact NZ-O 3.26Å; K58-S254 PolarHBondContact NZ-O 2.89Å; K58-D255 VanDerWaalsContact NZ-C 3.3Å; K58-A256 HydrophobicContact CD-CB 3.92Å
59S96.8Very high98.3Very high67 Ų6728.5 Ų28.547%0.46917%0.165SC..THydrogen-bonded Turntrans-38.9101.1178.7-46.10000113.3L61 P252 Q253S59-L61 PolarHBondContact O-N 2.92Å; S59-P252 PolarHBondContact N-O 2.93Å; S59-P252 VanDerWaalsContact N-O 3.13Å; S59-Q253 WeakPolarHBondContact OG-CA 3.25Å; S59-Q253 PolarHBondContact OG-O 2.75Å
60G96.5Very high98.3Very high38 Ų3830 Ų3039%0.39218%0.175SC..THydrogen-bonded Turntrans71.53.5178.700000116.4K58 N102K58-G60 PolarHBondContact O-N 3.47Å; G60-N102 PolarHBondContact O-N 3.07Å
61L98.2Very high98.1Very high50 Ų5036.7 Ų36.726%0.26221%0.212SC..EExtended strand (participates in β ladder)trans-121.5131.6-178.517563.7000111.2F56 V57 K58 S59 N102 L104F56-L61 HydrophobicContact CE1-CD2 4.35Å; V57-L61 WeakPolarHBondContact CA-O 3.4Å; K58-L61 PolarHBondContact N-O 3.11Å; K58-L61 PolarHBondContact O-N 2.93Å; S59-L61 PolarHBondContact O-N 2.92Å; L61-N102 HydrophobicContact CD1-CB 4.43Å; L61-L104 HydrophobicContact CD1-CD1 3.73Å; L61-L104 HydrophobicContact CD1-CG 3.88Å
62I98.7Very high98.1Very high0 Ų037.4 Ų37.40%022%0.218CC..EExtended strand (participates in β ladder)trans-123.1118.9165.4-54.4178.9000107.1I34 F56 V57 V64 V80 V84 L96 N102 V103 L104I34-I62 HydrophobicContact CD1-CD1 4.24Å; I34-I62 HydrophobicContact CD1-CG2 3.84Å; F56-I62 WeakPolarHBondContact O-CA 3.37Å; V57-I62 HydrophobicContact CG1-CB 4.34Å; V57-I62 HydrophobicContact CG1-CG1 3.97Å; V57-I62 HydrophobicContact CG1-CG2 4.08Å; I62-V64 HydrophobicContact CG2-CG2 4.25Å; I62-V80 HydrophobicContact CB-CG1 4.33Å; I62-V80 HydrophobicContact CD1-CG1 3.6Å; I62-V80 HydrophobicContact CG2-CG1 3.81Å; I62-V84 HydrophobicContact CD1-CG2 3.57Å; I62-L96 HydrophobicContact CD1-CD2 4.35Å; I62-N102 PolarHBondContact N-O 3.06Å; I62-V103 HydrophobicContact CB-CG2 4.36Å; I62-V103 HydrophobicContact CD1-CG2 4.5Å; I62-V103 CarbonylContact O-C 3.55Å; I62-V103 VanDerWaalsContact O-CA 3.29Å; I62-V103 WeakPolarHBondContact O-CA 3.28Å; I62-L104 PolarHBondContact O-N 3.14Å
63L98.7Very high98Very high56 Ų5642.5 Ų42.529%0.29325%0.246SC..EExtended strand (participates in β ladder)trans-107.6124.8173176.468.7000108.1S55 F56 L104 V106S55-L63 CarbonylContact C-O 3.43Å; S55-L63 WeakPolarHBondContact CA-O 3.45Å; F56-L63 HydrophobicContact CB-CB 4.26Å; F56-L63 HydrophobicContact CD1-CB 4.4Å; F56-L63 PolarHBondContact N-O 2.74Å; F56-L63 PolarHBondContact O-N 2.76Å; L63-L104 WeakPolarHBondContact CA-O 3.38Å; L63-L104 HydrophobicContact CD1-CB 3.69Å; L63-V106 HydrophobicContact CD1-CG1 4.15Å; L63-V106 HydrophobicContact CD1-CG2 3.69Å; L63-V106 HydrophobicContact CG-CG2 4.23Å
64V98.7Very high97.9Very high0 Ų043.7 Ų43.70%025%0.254CS..EExtended strand (participates in β ladder)trans-113.1128.9173.3177.70000107.8I34 I38 C53 E54 I62 I76 V80 L104 T105 V106 I107I34-V64 HydrophobicContact CG2-CG2 3.97Å; I38-V64 HydrophobicContact CD1-CB 4.37Å; I38-V64 HydrophobicContact CD1-CG1 3.41Å; I38-V64 VanDerWaalsContact CD1-CG1 3.41Å; I38-V64 HydrophobicContact CD1-CG2 4.06Å; C53-V64 VanDerWaalsContact SG-CG1 3.52Å; E54-V64 WeakPolarHBondContact O-CA 3.3Å; I62-V64 HydrophobicContact CG2-CG2 4.25Å; V64-I76 HydrophobicContact CG1-CG2 4.42Å; V64-V80 HydrophobicContact CG2-CG2 3.83Å; V64-L104 PolarHBondContact N-O 3.09Å; V64-T105 CarbonylContact O-C 3.53Å; V64-T105 VanDerWaalsContact O-CA 3.3Å; V64-T105 WeakPolarHBondContact O-CA 3.32Å; V64-V106 PolarHBondContact O-N 2.61Å; V64-I107 HydrophobicContact CG1-CD1 4.03Å
65G98.3Very high97.9Very high8 Ų844.1 Ų44.18%0.08226%0.258CS..EExtended strand (participates in β ladder)trans-152.1-177.8-179.200000114C53 E54 V106C53-G65 WeakPolarHBondContact CA-O 3.39Å; E54-G65 PolarHBondContact N-O 2.83Å; E54-G65 PolarHBondContact O-N 2.87Å; G65-V106 WeakPolarHBondContact CA-O 3.29Å
66G98Very high97.8Very high16 Ų1645.3 Ų45.317%0.16527%0.265CS..EExtended strand (participates in β ladder)trans114.3-150.5178.800000112.2A52 V106 I107 E108A52-G66 CarbonylContact O-C 3.57Å; A52-G66 WeakPolarHBondContact O-CA 3.5Å; G66-V106 PolarHBondContact N-O 3.4Å; G66-I107 WeakPolarHBondContact O-CA 3.42Å; G66-E108 PolarHBondContact O-N 3.48Å
67E98.5Very high97.8Very high92 Ų9245.8 Ų45.843%0.4327%0.267SS..EExtended strand (participates in β ladder)trans-121.6120.8-169.1-5375.7-135.600112A52 E108A52-E67 PolarHBondContact N-O 2.79Å; A52-E67 PolarHBondContact O-N 2.93Å; E67-E108 CarbonylContact C-O 3.48Å; E67-E108 WeakPolarHBondContact CA-O 3.35Å
68I98.3Very high97.8Very high7 Ų751.8 Ų51.84%0.03629%0.294CS..EExtended strand (participates in β ladder)trans-131.7122.3177.1-54.3-177.1000110.6I38 F42 K50 V51 C53 I107 E108 Q109I38-I68 HydrophobicContact CG2-CD1 4.02Å; F42-I68 HydrophobicContact CD1-CG2 3.78Å; F42-I68 HydrophobicContact CD2-CD1 3.97Å; F42-I68 HydrophobicContact CD2-CG2 4.14Å; F42-I68 HydrophobicContact CE1-CG2 3.54Å; F42-I68 HydrophobicContact CE2-CD1 3.45Å; F42-I68 VanDerWaalsContact CE2-CD1 3.45Å; F42-I68 HydrophobicContact CE2-CG2 3.91Å; F42-I68 HydrophobicContact CG-CG2 4.1Å; F42-I68 HydrophobicContact CZ-CB 4.46Å; F42-I68 HydrophobicContact CZ-CD1 3.98Å; F42-I68 HydrophobicContact CZ-CG2 3.62Å; K50-I68 WeakPolarHBondContact O-CA 3.43Å; V51-I68 HydrophobicContact CG1-CD1 4.17Å; V51-I68 HydrophobicContact CG1-CG1 4.15Å; V51-I68 HydrophobicContact CG2-CG2 4.21Å; C53-I68 HydrophobicContact CB-CD1 4.3Å; I68-I107 HydrophobicContact CB-CG2 3.85Å; I68-I107 HydrophobicContact CD1-CD1 3.97Å; I68-I107 HydrophobicContact CD1-CG2 4.05Å; I68-I107 HydrophobicContact CG1-CG2 3.8Å; I68-E108 PolarHBondContact N-O 2.96Å; I68-Q109 PolarHBondContact O-NE2 2.86Å; I68-Q109 PolarHBondContact O-OE1 3.28Å
69S98.3Very high97.8Very high29 Ų2950 Ų5020%0.20329%0.288CS..EExtended strand (participates in β ladder)trans-121.3112.1171.4-69.60000109.9K50 Q109 Q110K50-S69 PolarHBondContact N-O 3.03Å; K50-S69 PolarHBondContact O-N 3.47Å; S69-Q109 PolarHBondContact OG-OE1 2.97Å; S69-Q110 WeakPolarHBondContact OG-CB 3.47Å; S69-Q110 PolarHBondContact OG-N 3.18Å
70S97.5Very high97.9Very high31 Ų3146.8 Ų46.822%0.21727%0.265CS..  trans-162.8157.1-175179.20000110.8D46 A72D46-S70 WeakPolarHBondContact CB-OG 3.43Å; D46-S70 VanDerWaalsContact OD2-CA 3.23Å; D46-S70 WeakPolarHBondContact OD2-CA 3.32Å; D46-S70 WeakPolarHBondContact OD2-CB 3.36Å; D46-S70 PolarHBondContact OD2-OG 3.31Å; S70-A72 VanDerWaalsContact C-N 3.33Å; S70-A72 WeakPolarHBondContact OG-CB 3.1Å; S70-A72 PolarHBondContact OG-N 2.83Å; S70-A72 VanDerWaalsContact OG-N 3.07Å
71N95.3Very high98Very high155 Ų15547.7 Ų47.783%0.82926%0.257SS*.SBendtrans-85.7-3.7170-63-56.1000113.6D46D46-N71 PolarHBondContact OD2-N 3.16Å
72A97.7Very high98Very high15 Ų1549.4 Ų49.412%0.12427%0.266CS..  trans-70.5149-178.800000112.5F42 Q45 D46 S70 V74F42-A72 HydrophobicContact CD1-CB 3.7Å; F42-A72 HydrophobicContact CE1-CB 4.17Å; Q45-A72 HydrophobicContact CB-CB 3.6Å; Q45-A72 HydrophobicContact CG-CB 4.33Å; D46-A72 HydrophobicContact CB-CB 4.26Å; S70-A72 VanDerWaalsContact C-N 3.33Å; S70-A72 WeakPolarHBondContact OG-CB 3.1Å; S70-A72 PolarHBondContact OG-N 2.83Å; S70-A72 VanDerWaalsContact OG-N 3.07Å; A72-V74 HydrophobicContact CB-CG2 4.04Å
73V96.5Very high98Very high123 Ų12349.9 Ų49.975%0.74527%0.269SS*.  trans-110.5102.4171.7-177.80000108.1Q45Q45-V73 PolarHBondContact NE2-O 3.01Å; Q45-V73 PolarHBondContact OE1-O 3.25Å
74V97.3Very high98Very high25 Ų2547.2 Ų47.215%0.15226%0.255CS..  trans-109.4126.6-172.5175.20000111.2E41 F42 A72 I76E41-V74 HydrophobicContact CB-CG1 3.94Å; E41-V74 HydrophobicContact CB-CG2 4.33Å; E41-V74 HydrophobicContact CG-CB 4.13Å; E41-V74 HydrophobicContact CG-CG1 3.48Å; E41-V74 VanDerWaalsContact CG-CG1 3.48Å; E41-V74 HydrophobicContact CG-CG2 3.81Å; F42-V74 HydrophobicContact CD1-CG2 3.78Å; F42-V74 HydrophobicContact CD2-CB 4.39Å; F42-V74 HydrophobicContact CD2-CG2 3.86Å; F42-V74 HydrophobicContact CE1-CB 4.3Å; F42-V74 HydrophobicContact CE1-CG2 3.74Å; F42-V74 HydrophobicContact CE2-CB 3.92Å; F42-V74 HydrophobicContact CE2-CG1 4.15Å; F42-V74 HydrophobicContact CE2-CG2 3.82Å; F42-V74 HydrophobicContact CG-CG2 3.83Å; F42-V74 HydrophobicContact CZ-CB 3.86Å; F42-V74 HydrophobicContact CZ-CG2 3.76Å; A72-V74 HydrophobicContact CB-CG2 4.04Å; V74-I76 HydrophobicContact CG1-CG1 4.26Å; V74-I76 PolarHBondContact O-N 2.93Å; V74-I76 VanDerWaalsContact O-N 3.17Å
75D97.9Very high98Very high89 Ų8952.7 Ų52.748%0.47628%0.279SS..  trans-8191.1169.4-175.5-15.4000109.9Q77 K78 T79D75-Q77 VanDerWaalsContact C-N 3.33Å; D75-Q77 PolarHBondContact O-N 2.8Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.49Å; D75-Q77 PolarHBondContact OD1-N 2.91Å; D75-K78 HydrophobicContact CB-CB 4.03Å; D75-K78 PolarHBondContact O-N 2.81Å; D75-K78 WeakPolarHBondContact OD1-CB 3.23Å; D75-K78 PolarHBondContact OD1-N 2.86Å; D75-K78 VanDerWaalsContact OD2-CB 3.25Å; D75-K78 WeakPolarHBondContact OD2-CB 3.24Å; D75-T79 WeakPolarHBondContact O-CB 3.38Å; D75-T79 PolarHBondContact O-N 2.91Å; D75-T79 PolarHBondContact O-OG1 2.71Å
76I97.8Very high98Very high29 Ų2957.8 Ų57.815%0.14930%0.3CS..Hα-helixtrans-63.1-40.3-179-63.8163.3000111.1I38 V64 V74 K78 T79 V80 T105 I107I38-I76 HydrophobicContact CD1-CG2 4.08Å; V64-I76 HydrophobicContact CG1-CG2 4.42Å; V74-I76 HydrophobicContact CG1-CG1 4.26Å; V74-I76 PolarHBondContact O-N 2.93Å; V74-I76 VanDerWaalsContact O-N 3.17Å; I76-K78 PolarHBondContact O-N 3.28Å; I76-T79 PolarHBondContact O-N 2.76Å; I76-V80 HydrophobicContact CG2-CG2 3.97Å; I76-V80 WeakPolarHBondContact O-CB 3.47Å; I76-V80 WeakPolarHBondContact O-CG2 3.25Å; I76-V80 PolarHBondContact O-N 3.49Å; I76-T105 HydrophobicContact CB-CG2 4.18Å; I76-T105 HydrophobicContact CD1-CG2 4.16Å; I76-T105 HydrophobicContact CG2-CG2 3.65Å; I76-I107 HydrophobicContact CD1-CD1 3.46Å; I76-I107 VanDerWaalsContact CD1-CD1 3.46Å
77Q98.3Very high98.1Very high72 Ų7257 Ų5734%0.33629%0.293SS..Hα-helixtrans-57.9-51179.1-73.4-74.9-28.200110.6D75 R81 V103D75-Q77 VanDerWaalsContact C-N 3.33Å; D75-Q77 PolarHBondContact O-N 2.8Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.49Å; D75-Q77 PolarHBondContact OD1-N 2.91Å; Q77-R81 WeakPolarHBondContact O-CB 3.43Å; Q77-R81 WeakPolarHBondContact O-CG 3.42Å; Q77-R81 PolarHBondContact O-N 2.75Å; Q77-R81 VanDerWaalsContact O-N 3.08Å; Q77-V103 PolarHBondContact NE2-O 3.19Å
78K98.4Very high98Very high127 Ų12753.2 Ų53.255%0.55228%0.278SS*.Hα-helixtrans-64-42.3178.5-178.3-179.6178.3-174.80111.9D75 I76 R81 N82D75-K78 HydrophobicContact CB-CB 4.03Å; D75-K78 PolarHBondContact O-N 2.81Å; D75-K78 WeakPolarHBondContact OD1-CB 3.23Å; D75-K78 PolarHBondContact OD1-N 2.86Å; D75-K78 VanDerWaalsContact OD2-CB 3.25Å; D75-K78 WeakPolarHBondContact OD2-CB 3.24Å; I76-K78 PolarHBondContact O-N 3.28Å; K78-R81 PolarHBondContact O-N 3.39Å; K78-N82 WeakPolarHBondContact O-CB 3.45Å; K78-N82 PolarHBondContact O-N 3.01Å; K78-N82 PolarHBondContact O-ND2 2.54Å
79T98.6Very high98Very high21 Ų2152.9 Ų52.913%0.12928%0.276CS..Hα-helixtrans-61.4-51.8-179.5-57.70000111.2A37 I38 D75 I76 R81 N82 V83A37-T79 HydrophobicContact CB-CG2 3.85Å; I38-T79 HydrophobicContact CG1-CG2 4.07Å; D75-T79 WeakPolarHBondContact O-CB 3.38Å; D75-T79 PolarHBondContact O-N 2.91Å; D75-T79 PolarHBondContact O-OG1 2.71Å; I76-T79 PolarHBondContact O-N 2.76Å; T79-R81 PolarHBondContact O-N 3.21Å; T79-N82 PolarHBondContact O-N 3.01Å; T79-V83 WeakPolarHBondContact O-CG2 3.29Å; T79-V83 PolarHBondContact O-N 2.82Å; T79-V83 VanDerWaalsContact O-N 3.14Å
80V98.7Very high98Very high0 Ų054.5 Ų54.50%028%0.282CS..Hα-helixtrans-56.5-50.8176.8170.60000110.9I34 I38 I62 V64 I76 N82 V83 V84 V103I34-V80 HydrophobicContact CD1-CG1 4.19Å; I34-V80 HydrophobicContact CG2-CG2 3.79Å; I38-V80 HydrophobicContact CD1-CG2 4.33Å; I62-V80 HydrophobicContact CB-CG1 4.33Å; I62-V80 HydrophobicContact CD1-CG1 3.6Å; I62-V80 HydrophobicContact CG2-CG1 3.81Å; V64-V80 HydrophobicContact CG2-CG2 3.83Å; I76-V80 HydrophobicContact CG2-CG2 3.97Å; I76-V80 WeakPolarHBondContact O-CB 3.47Å; I76-V80 WeakPolarHBondContact O-CG2 3.25Å; I76-V80 PolarHBondContact O-N 3.49Å; V80-N82 VanDerWaalsContact C-N 3.31Å; V80-N82 PolarHBondContact O-N 2.97Å; V80-V83 PolarHBondContact O-N 3.39Å; V80-V84 HydrophobicContact CG1-CG2 4.49Å; V80-V84 WeakPolarHBondContact O-CG2 3.49Å; V80-V84 PolarHBondContact O-N 2.73Å; V80-V84 VanDerWaalsContact O-N 3.07Å; V80-V103 HydrophobicContact CB-CG1 4.19Å; V80-V103 HydrophobicContact CB-CG2 4.43Å; V80-V103 HydrophobicContact CG1-CG1 4.07Å; V80-V103 HydrophobicContact CG1-CG2 3.76Å; V80-V103 HydrophobicContact CG2-CG1 4.06Å
81R98.7Very high97.8Very high56 Ų5656.1 Ų56.121%0.21129%0.288CS..Hα-helixtrans-64-35.7-177.4-68.8177.6-169-71.6-5.4112.3Q77 K78 T79 V84 K85 Y98 C101Q77-R81 WeakPolarHBondContact O-CB 3.43Å; Q77-R81 WeakPolarHBondContact O-CG 3.42Å; Q77-R81 PolarHBondContact O-N 2.75Å; Q77-R81 VanDerWaalsContact O-N 3.08Å; K78-R81 PolarHBondContact O-N 3.39Å; T79-R81 PolarHBondContact O-N 3.21Å; R81-V84 PolarHBondContact O-N 2.65Å; R81-K85 VanDerWaalsContact O-CB 3.28Å; R81-K85 WeakPolarHBondContact O-CB 3.23Å; R81-K85 PolarHBondContact O-N 3.45Å; R81-Y98 HydrophobicContact CB-CD2 4.45Å; R81-Y98 WeakPolarHBondContact CG-O 3.15Å; R81-Y98 PolarHBondContact NH1-O 3.33Å; R81-Y98 WeakPolarHBondContact O-CB 3.31Å; R81-C101 PolarHBondContact NH1-O 3.03Å; R81-C101 PolarHBondContact NH2-O 3.3Å
82N98.7Very high97.7Very high87 Ų8752.8 Ų52.847%0.46527%0.274SS..Hα-helixtrans-65.6-39.9175.6-75.7-21000112.4K78 T79 V80 K85 H86K78-N82 WeakPolarHBondContact O-CB 3.45Å; K78-N82 PolarHBondContact O-N 3.01Å; K78-N82 PolarHBondContact O-ND2 2.54Å; T79-N82 PolarHBondContact O-N 3.01Å; V80-N82 VanDerWaalsContact C-N 3.31Å; V80-N82 PolarHBondContact O-N 2.97Å; N82-K85 PolarHBondContact O-N 3.32Å; N82-H86 WeakPolarHBondContact O-CB 3.37Å; N82-H86 PolarHBondContact O-N 3.16Å
83V98.7Very high97.4Very high9 Ų959.8 Ų59.86%0.05530%0.304CS..Hα-helixtrans-62.5-50.6175173.20000110.6Q33 I34 A37 T79 V80 K85 H86 I87Q33-V83 HydrophobicContact CB-CG1 3.78Å; I34-V83 HydrophobicContact CG1-CB 4.19Å; I34-V83 HydrophobicContact CG1-CG1 3.86Å; A37-V83 HydrophobicContact CB-CG2 3.33Å; T79-V83 WeakPolarHBondContact O-CG2 3.29Å; T79-V83 PolarHBondContact O-N 2.82Å; T79-V83 VanDerWaalsContact O-N 3.14Å; V80-V83 PolarHBondContact O-N 3.39Å; V83-K85 VanDerWaalsContact C-N 3.28Å; V83-K85 PolarHBondContact O-N 2.8Å; V83-H86 WeakPolarHBondContact O-CB 3.32Å; V83-H86 PolarHBondContact O-N 3.45Å; V83-I87 HydrophobicContact CG1-CD1 3.79Å; V83-I87 HydrophobicContact CG1-CG1 4.47Å; V83-I87 WeakPolarHBondContact O-CG1 2.98Å; V83-I87 PolarHBondContact O-N 2.9Å
84V98.7Very high97.3Very high0 Ų057.6 Ų57.60%028%0.284CS..Hα-helixtrans-59.8-40.8179.7179.70000111.3I34 I62 V80 R81 G88 Y89 L96I34-V84 HydrophobicContact CD1-CG2 4.37Å; I62-V84 HydrophobicContact CD1-CG2 3.57Å; V80-V84 HydrophobicContact CG1-CG2 4.49Å; V80-V84 WeakPolarHBondContact O-CG2 3.49Å; V80-V84 PolarHBondContact O-N 2.73Å; V80-V84 VanDerWaalsContact O-N 3.07Å; R81-V84 PolarHBondContact O-N 2.65Å; V84-G88 PolarHBondContact O-N 2.93Å; V84-Y89 PolarHBondContact O-N 2.93Å; V84-L96 HydrophobicContact CG1-CD2 3.55Å; V84-L96 HydrophobicContact CG1-CG 4.03Å; V84-L96 HydrophobicContact CG2-CD2 4.23Å
85K98.6Very high97.1Very high115 Ų11556.7 Ų56.750%0.528%0.28SS..Hα-helixtrans-60.5-46.1172.8-177.3-178.3180-176.80112R81 N82 V83 I87 G88 Y98R81-K85 VanDerWaalsContact O-CB 3.28Å; R81-K85 WeakPolarHBondContact O-CB 3.23Å; R81-K85 PolarHBondContact O-N 3.45Å; N82-K85 PolarHBondContact O-N 3.32Å; V83-K85 VanDerWaalsContact C-N 3.28Å; V83-K85 PolarHBondContact O-N 2.8Å; K85-I87 PolarHBondContact O-N 2.87Å; K85-G88 PolarHBondContact O-N 2.8Å; K85-Y98 HydrophobicContact CB-CD1 3.72Å; K85-Y98 HydrophobicContact CB-CD2 4.08Å; K85-Y98 HydrophobicContact CB-CE1 4.07Å; K85-Y98 HydrophobicContact CB-CE2 4.41Å; K85-Y98 HydrophobicContact CB-CG 3.74Å; K85-Y98 HydrophobicContact CD-CE1 4.15Å; K85-Y98 HydrophobicContact CD-CE2 4.04Å; K85-Y98 HydrophobicContact CG-CD1 3.95Å; K85-Y98 HydrophobicContact CG-CE1 3.76Å; K85-Y98 HydrophobicContact CG-CE2 4.38Å; K85-Y98 HydrophobicContact CG-CG 4.35Å
86H98.4Very high97Very high116 Ų11652.7 Ų52.754%0.53726%0.259SS..Hα-helixtrans-64-39-178.7-17977.2000112.9E24 N82 V83 G88 R166E24-H86 IonicContact OE2-NE2 2.67Å; N82-H86 WeakPolarHBondContact O-CB 3.37Å; N82-H86 PolarHBondContact O-N 3.16Å; V83-H86 WeakPolarHBondContact O-CB 3.32Å; V83-H86 PolarHBondContact O-N 3.45Å; H86-G88 PolarHBondContact O-N 3.4Å; H86-R166 PolarHBondContact O-NH2 3.44Å
87I98.5Very high97Very high0 Ų052 Ų520%026%0.255CS..Hα-helixtrans-60.6-37.9175.1-69.8167.5000110.4E24 V30 V83 K85 Y89 R165 P175E24-I87 HydrophobicContact CB-CG1 4.33Å; E24-I87 HydrophobicContact CB-CG2 4.32Å; E24-I87 WeakPolarHBondContact O-CG2 3.34Å; V30-I87 HydrophobicContact CB-CD1 4.33Å; V30-I87 HydrophobicContact CG1-CD1 4.12Å; V30-I87 HydrophobicContact CG2-CD1 4.11Å; V83-I87 HydrophobicContact CG1-CD1 3.79Å; V83-I87 HydrophobicContact CG1-CG1 4.47Å; V83-I87 WeakPolarHBondContact O-CG1 2.98Å; V83-I87 PolarHBondContact O-N 2.9Å; K85-I87 PolarHBondContact O-N 2.87Å; I87-Y89 HydrophobicContact CG2-CD2 3.7Å; I87-Y89 HydrophobicContact CG2-CE2 3.88Å; I87-R165 PolarHBondContact O-NH1 3.31Å; I87-R165 PolarHBondContact O-NH2 2.86Å; I87-P175 HydrophobicContact CG2-CB 3.88Å
88G98Very high97.1Very high11 Ų1151.2 Ų51.211%0.11325%0.25CC..THydrogen-bonded Turntrans111.419.7177.300000114.3V84 K85 H86 D90 K94V84-G88 PolarHBondContact O-N 2.93Å; K85-G88 PolarHBondContact O-N 2.8Å; H86-G88 PolarHBondContact O-N 3.4Å; G88-D90 PolarHBondContact O-N 3.18Å; G88-K94 WeakPolarHBondContact O-CD 3.5Å
89Y98.2Very high97.1Very high0 Ų050.8 Ų50.80%025%0.248CC..  trans-87.787.1170.1-76.8-52.7000109.9G25 V30 V84 I87 K94 L96 Y98 P175 D176 G251G25-Y89 WeakPolarHBondContact O-CE2 3.2Å; G25-Y89 PolarHBondContact O-OH 3.48Å; V30-Y89 HydrophobicContact CG2-CD2 4.48Å; V30-Y89 HydrophobicContact CG2-CE2 3.96Å; V84-Y89 PolarHBondContact O-N 2.93Å; I87-Y89 HydrophobicContact CG2-CD2 3.7Å; I87-Y89 HydrophobicContact CG2-CE2 3.88Å; Y89-K94 HydrophobicContact CD1-CB 4.03Å; Y89-K94 HydrophobicContact CE1-CB 4.45Å; Y89-K94 WeakPolarHBondContact CE1-O 3.37Å; Y89-L96 CarbonylContact C-O 3.34Å; Y89-L96 WeakPolarHBondContact CB-O 3.3Å; Y89-L96 HydrophobicContact CD1-CB 4.05Å; Y89-L96 HydrophobicContact CD2-CB 4.35Å; Y89-L96 HydrophobicContact CD2-CD2 4.26Å; Y89-L96 HydrophobicContact CG-CB 3.87Å; Y89-L96 HydrophobicContact CG-CD2 4.44Å; Y89-Y98 PolarHBondContact O-N 3.36Å; Y89-P175 HydrophobicContact CD1-CG 3.91Å; Y89-P175 HydrophobicContact CE1-CB 4.04Å; Y89-P175 HydrophobicContact CE1-CG 3.76Å; Y89-P175 HydrophobicContact CE2-CB 4.1Å; Y89-P175 HydrophobicContact CE2-CG 4.5Å; Y89-P175 HydrophobicContact CG-CG 4.3Å; Y89-D176 WeakPolarHBondContact OH-CB 3.44Å; Y89-G251 WeakPolarHBondContact OH-CA 3.39Å
90D97.2Very high97Very high63 Ų6353.4 Ų53.434%0.33727%0.267SS..EExtended strand (participates in β ladder)trans-123.99.4-172.361.7-2.7000113.4G88 K94 Y98 K99G88-D90 PolarHBondContact O-N 3.18Å; D90-K94 WeakPolarHBondContact OD1-CD 3.47Å; D90-K94 WeakPolarHBondContact OD1-CE 3.45Å; D90-K94 IonicContact OD1-NZ 2.68Å; D90-K94 PolarHBondContact OD1-NZ 2.94Å; D90-K94 IonicContact OD2-NZ 3.93Å; D90-Y98 HydrophobicContact CB-CD1 3.99Å; D90-Y98 HydrophobicContact CB-CE1 3.84Å; D90-K99 PolarHBondContact O-NZ 2.87Å
91D94.6Very high97Very high65 Ų6553.7 Ų53.735%0.34827%0.269SS..EExtended strand (participates in β ladder)trans-156.8140.3-179.3-170.1-77000109.9H93 K94D91-H93 PolarHBondContact O-N 2.8Å; D91-H93 WeakPolarHBondContact OD1-CB 3.35Å; D91-H93 IonicContact OD1-CD2 3.96Å; D91-H93 PolarHBondContact OD1-CD2 2.95Å; D91-H93 IonicContact OD1-CG 3.4Å; D91-H93 PolarHBondContact OD1-N 3.36Å; D91-K94 HydrophobicContact CB-CG 4.47Å; D91-K94 WeakPolarHBondContact O-CB 3.44Å; D91-K94 PolarHBondContact O-N 3.43Å
92T91.2Very high96.9Very high85 Ų8555 Ų5552%0.52128%0.28SS..G310 helixtrans-62.9-26.7-177.650.90000112.6K94 G95 D97T92-K94 PolarHBondContact O-N 3.43Å; T92-G95 PolarHBondContact O-N 2.88Å; T92-D97 HydrophobicContact CG2-CB 4.09Å
93H91.8Very high96.9Very high162 Ų16251.1 Ų51.175%0.7526%0.259SS*.G310 helixtrans-64.4-21.7172.9-65.4-71.7000113D91 G95D91-H93 PolarHBondContact O-N 2.8Å; D91-H93 WeakPolarHBondContact OD1-CB 3.35Å; D91-H93 IonicContact OD1-CD2 3.96Å; D91-H93 PolarHBondContact OD1-CD2 2.95Å; D91-H93 IonicContact OD1-CG 3.4Å; D91-H93 PolarHBondContact OD1-N 3.36Å; H93-G95 VanDerWaalsContact C-N 3.3Å
94K94.3Very high96.9Very high78 Ų7854.5 Ų54.534%0.33928%0.277SS..G310 helixtrans-84.2-3.7173.9-62.3178.7-177.5171.70112.7G88 Y89 D90 D91 T92 Q205G88-K94 WeakPolarHBondContact O-CD 3.5Å; Y89-K94 HydrophobicContact CD1-CB 4.03Å; Y89-K94 HydrophobicContact CE1-CB 4.45Å; Y89-K94 WeakPolarHBondContact CE1-O 3.37Å; D90-K94 WeakPolarHBondContact OD1-CD 3.47Å; D90-K94 WeakPolarHBondContact OD1-CE 3.45Å; D90-K94 IonicContact OD1-NZ 2.68Å; D90-K94 PolarHBondContact OD1-NZ 2.94Å; D90-K94 IonicContact OD2-NZ 3.93Å; D91-K94 HydrophobicContact CB-CG 4.47Å; D91-K94 WeakPolarHBondContact O-CB 3.44Å; D91-K94 PolarHBondContact O-N 3.43Å; T92-K94 PolarHBondContact O-N 3.43Å; K94-Q205 PolarHBondContact O-NE2 3.19Å
95G93.3Very high96.9Very high6 Ų657.9 Ų57.96%0.06230%0.297CS..THydrogen-bonded Turntrans98.4-9.3177.900000114.9T92 H93T92-G95 PolarHBondContact O-N 2.88Å; H93-G95 VanDerWaalsContact C-N 3.3Å
96L97Very high96.8Very high5 Ų556.6 Ų56.63%0.02630%0.299CS..EExtended strand (participates in β ladder)trans-161147.5171.6-175.768.2000109.4I62 V84 Y89 C101 P252I62-L96 HydrophobicContact CD1-CD2 4.35Å; V84-L96 HydrophobicContact CG1-CD2 3.55Å; V84-L96 HydrophobicContact CG1-CG 4.03Å; V84-L96 HydrophobicContact CG2-CD2 4.23Å; Y89-L96 CarbonylContact C-O 3.34Å; Y89-L96 WeakPolarHBondContact CB-O 3.3Å; Y89-L96 HydrophobicContact CD1-CB 4.05Å; Y89-L96 HydrophobicContact CD2-CB 4.35Å; Y89-L96 HydrophobicContact CD2-CD2 4.26Å; Y89-L96 HydrophobicContact CG-CB 3.87Å; Y89-L96 HydrophobicContact CG-CD2 4.44Å; L96-C101 HydrophobicContact CD1-CB 3.77Å; L96-P252 HydrophobicContact CD2-CG 4.12Å
97D98.1Very high96.8Very high15 Ų1553.5 Ų53.58%0.0829%0.286CS..EExtended strand (participates in β ladder)trans-132.5121.2173.9168.728.4000110.7T92 K99 S100 C101T92-D97 HydrophobicContact CG2-CB 4.09Å; D97-K99 PolarHBondContact O-N 3.01Å; D97-K99 VanDerWaalsContact O-N 3.11Å; D97-K99 WeakPolarHBondContact OD1-CB 3.28Å; D97-K99 WeakPolarHBondContact OD1-CE 3.27Å; D97-K99 PolarHBondContact OD1-N 3.21Å; D97-K99 IonicContact OD1-NZ 2.75Å; D97-K99 PolarHBondContact OD1-NZ 2.89Å; D97-K99 IonicContact OD2-NZ 3.46Å; D97-S100 WeakPolarHBondContact CB-OG 3.29Å; D97-S100 PolarHBondContact O-N 3.4Å; D97-S100 WeakPolarHBondContact OD2-CB 3.49Å; D97-S100 PolarHBondContact OD2-N 3.11Å; D97-S100 PolarHBondContact OD2-OG 3.01Å; D97-C101 WeakPolarHBondContact O-CB 3.38Å; D97-C101 PolarHBondContact O-N 2.93Å
98Y98.6Very high96.8Very high55 Ų5560.8 Ų60.822%0.21632%0.32CS..THydrogen-bonded Turntrans-58.7-23.3179.279.5-92.5000114R81 K85 Y89 D90R81-Y98 HydrophobicContact CB-CD2 4.45Å; R81-Y98 WeakPolarHBondContact CG-O 3.15Å; R81-Y98 PolarHBondContact NH1-O 3.33Å; R81-Y98 WeakPolarHBondContact O-CB 3.31Å; K85-Y98 HydrophobicContact CB-CD1 3.72Å; K85-Y98 HydrophobicContact CB-CD2 4.08Å; K85-Y98 HydrophobicContact CB-CE1 4.07Å; K85-Y98 HydrophobicContact CB-CE2 4.41Å; K85-Y98 HydrophobicContact CB-CG 3.74Å; K85-Y98 HydrophobicContact CD-CE1 4.15Å; K85-Y98 HydrophobicContact CD-CE2 4.04Å; K85-Y98 HydrophobicContact CG-CD1 3.95Å; K85-Y98 HydrophobicContact CG-CE1 3.76Å; K85-Y98 HydrophobicContact CG-CE2 4.38Å; K85-Y98 HydrophobicContact CG-CG 4.35Å; Y89-Y98 PolarHBondContact O-N 3.36Å; D90-Y98 HydrophobicContact CB-CD1 3.99Å; D90-Y98 HydrophobicContact CB-CE1 3.84Å
99K98.4Very high96.7Very high118 Ų11866.4 Ų66.451%0.51334%0.343SS..THydrogen-bonded Turntrans-79.3-35.7-178.6-60.8178-65.4-59.90112.3D90 D97D90-K99 PolarHBondContact O-NZ 2.87Å; D97-K99 PolarHBondContact O-N 3.01Å; D97-K99 VanDerWaalsContact O-N 3.11Å; D97-K99 WeakPolarHBondContact OD1-CB 3.28Å; D97-K99 WeakPolarHBondContact OD1-CE 3.27Å; D97-K99 PolarHBondContact OD1-N 3.21Å; D97-K99 IonicContact OD1-NZ 2.75Å; D97-K99 PolarHBondContact OD1-NZ 2.89Å; D97-K99 IonicContact OD2-NZ 3.46Å
100S97.5Very high96.6Very high76 Ų7667.5 Ų67.553%0.53135%0.348SS..THydrogen-bonded Turntrans-115.1-9-16956.90000114.3D97D97-S100 WeakPolarHBondContact CB-OG 3.29Å; D97-S100 PolarHBondContact O-N 3.4Å; D97-S100 WeakPolarHBondContact OD2-CB 3.49Å; D97-S100 PolarHBondContact OD2-N 3.11Å; D97-S100 PolarHBondContact OD2-OG 3.01Å
101C97.8Very high96.6Very high6 Ų666.9 Ų66.94%0.04135%0.349CS..  trans-62.8145176.267.80000112.3R81 L96 D97R81-C101 PolarHBondContact NH1-O 3.03Å; R81-C101 PolarHBondContact NH2-O 3.3Å; L96-C101 HydrophobicContact CD1-CB 3.77Å; D97-C101 WeakPolarHBondContact O-CB 3.38Å; D97-C101 PolarHBondContact O-N 2.93Å
102N98.4Very high96.7Very high84 Ų8466.9 Ų66.945%0.44935%0.354SS..EExtended strand (participates in β ladder)trans-78.5130.4169.1-171.714.4000109.3G60 L61 I62G60-N102 PolarHBondContact O-N 3.07Å; L61-N102 HydrophobicContact CD1-CB 4.43Å; I62-N102 PolarHBondContact N-O 3.06Å
103V98.6Very high96.9Very high5 Ų568.5 Ų68.53%0.0336%0.36CS..EExtended strand (participates in β ladder)trans-119.2112.3175.31790000107I62 Q77 V80I62-V103 HydrophobicContact CB-CG2 4.36Å; I62-V103 HydrophobicContact CD1-CG2 4.5Å; I62-V103 CarbonylContact O-C 3.55Å; I62-V103 VanDerWaalsContact O-CA 3.29Å; I62-V103 WeakPolarHBondContact O-CA 3.28Å; Q77-V103 PolarHBondContact NE2-O 3.19Å; V80-V103 HydrophobicContact CB-CG1 4.19Å; V80-V103 HydrophobicContact CB-CG2 4.43Å; V80-V103 HydrophobicContact CG1-CG1 4.07Å; V80-V103 HydrophobicContact CG1-CG2 3.76Å; V80-V103 HydrophobicContact CG2-CG1 4.06Å
104L98.3Very high97Very high79 Ų7963.9 Ų63.941%0.41434%0.34SS..EExtended strand (participates in β ladder)trans-104.1139.6176.9-62.4-176.9000109.6L61 I62 L63 V64L61-L104 HydrophobicContact CD1-CD1 3.73Å; L61-L104 HydrophobicContact CD1-CG 3.88Å; I62-L104 PolarHBondContact O-N 3.14Å; L63-L104 WeakPolarHBondContact CA-O 3.38Å; L63-L104 HydrophobicContact CD1-CB 3.69Å; V64-L104 PolarHBondContact N-O 3.09Å
105T98Very high97.1Very high71 Ų7160.4 Ų60.444%0.43633%0.326SS..EExtended strand (participates in β ladder)trans-121.6124.418055.70000110.4V64 I76V64-T105 CarbonylContact O-C 3.53Å; V64-T105 VanDerWaalsContact O-CA 3.3Å; V64-T105 WeakPolarHBondContact O-CA 3.32Å; I76-T105 HydrophobicContact CB-CG2 4.18Å; I76-T105 HydrophobicContact CD1-CG2 4.16Å; I76-T105 HydrophobicContact CG2-CG2 3.65Å
106V97.6Very high97.2Very high89 Ų8966.2 Ų66.254%0.53935%0.349SS..EExtended strand (participates in β ladder)trans-13067177.2-66.80000109.2L63 V64 G65 G66L63-V106 HydrophobicContact CD1-CG1 4.15Å; L63-V106 HydrophobicContact CD1-CG2 3.69Å; L63-V106 HydrophobicContact CG-CG2 4.23Å; V64-V106 PolarHBondContact O-N 2.61Å; G65-V106 WeakPolarHBondContact CA-O 3.29Å; G66-V106 PolarHBondContact N-O 3.4Å
107I97.5Very high97.2Very high51 Ų5167.4 Ų67.426%0.26236%0.363SS..EExtended strand (participates in β ladder)trans-109.3129.2-175.2-60176.6000109.4V64 G66 I68 I76V64-I107 HydrophobicContact CG1-CD1 4.03Å; G66-I107 WeakPolarHBondContact O-CA 3.42Å; I68-I107 HydrophobicContact CB-CG2 3.85Å; I68-I107 HydrophobicContact CD1-CD1 3.97Å; I68-I107 HydrophobicContact CD1-CG2 4.05Å; I68-I107 HydrophobicContact CG1-CG2 3.8Å; I76-I107 HydrophobicContact CD1-CD1 3.46Å; I76-I107 VanDerWaalsContact CD1-CD1 3.46Å
108E97.8Very high97.1Very high152 Ų15266.7 Ų66.771%0.7136%0.359SS*.EExtended strand (participates in β ladder)trans-117.1176.1174-64.1-169.1113.600110.9G66 E67 I68G66-E108 PolarHBondContact O-N 3.48Å; E67-E108 CarbonylContact C-O 3.48Å; E67-E108 WeakPolarHBondContact CA-O 3.35Å; I68-E108 PolarHBondContact N-O 2.96Å
109Q96.8Very high97Very high129 Ų12966 Ų6660%0.60336%0.358SS*.PPolyproline II helixtrans-74.7153.3174.2-67.2-65.4-44.500110.8I68 S69 S111I68-Q109 PolarHBondContact O-NE2 2.86Å; I68-Q109 PolarHBondContact O-OE1 3.28Å; S69-Q109 PolarHBondContact OG-OE1 2.97Å; Q109-S111 PolarHBondContact O-N 3.13Å
110Q96.5Very high96.8Very high23 Ų2365 Ų6511%0.10736%0.355CS..PPolyproline II helixtrans-55.7136.8168.2-175.6178.850.500109.9S69 S112 I114 H119S69-Q110 WeakPolarHBondContact OG-CB 3.47Å; S69-Q110 PolarHBondContact OG-N 3.18Å; Q110-S112 PolarHBondContact O-N 2.87Å; Q110-I114 HydrophobicContact CG-CB 4.45Å; Q110-I114 HydrophobicContact CG-CG2 4.45Å; Q110-H119 PolarHBondContact OE1-NE2 3.21Å
111S96.8Very high96.6Very high50 Ų5065.9 Ų65.935%0.3538%0.376SS..PPolyproline II helixtrans-52.2127.5173.3171.90000111.1Q109 D113 I114 A115Q109-S111 PolarHBondContact O-N 3.13Å; S111-D113 PolarHBondContact O-N 3.35Å; S111-D113 PolarHBondContact OG-N 3.32Å; S111-I114 WeakPolarHBondContact O-CB 3.43Å; S111-I114 PolarHBondContact O-N 2.76Å; S111-I114 VanDerWaalsContact O-N 3.09Å; S111-A115 PolarHBondContact O-N 2.81Å
112S96.2Very high96.5Very high66 Ų6670.3 Ų70.346%0.46239%0.392SS..Hα-helixtrans-63-25.5178.466.70000113Q110 A115 K116Q110-S112 PolarHBondContact O-N 2.87Å; S112-A115 PolarHBondContact O-N 3.43Å; S112-K116 WeakPolarHBondContact O-CB 3.48Å; S112-K116 VanDerWaalsContact O-CG 3.29Å; S112-K116 WeakPolarHBondContact O-CG 3.47Å; S112-K116 PolarHBondContact O-N 2.71Å
113D96.1Very high96.4Very high119 Ų11973.3 Ų73.364%0.63640%0.401SS*.Hα-helixtrans-69.4-38.8175.1-64.1-27.4000111.2S111 G117S111-D113 PolarHBondContact O-N 3.35Å; S111-D113 PolarHBondContact OG-N 3.32Å; D113-G117 PolarHBondContact O-N 3.03Å
114I94.4Very high96.2Very high65 Ų6575 Ų7533%0.33341%0.409SS..Hα-helixtrans-67-45.2173.4-61.8176.9000109.6Q110 S111 K116 G117 V118Q110-I114 HydrophobicContact CG-CB 4.45Å; Q110-I114 HydrophobicContact CG-CG2 4.45Å; S111-I114 WeakPolarHBondContact O-CB 3.43Å; S111-I114 PolarHBondContact O-N 2.76Å; S111-I114 VanDerWaalsContact O-N 3.09Å; I114-K116 PolarHBondContact O-N 3.2Å; I114-G117 PolarHBondContact O-N 2.87Å; I114-V118 HydrophobicContact CG2-CG2 4Å; I114-V118 VanDerWaalsContact O-CB 3.3Å; I114-V118 WeakPolarHBondContact O-CB 3.33Å; I114-V118 WeakPolarHBondContact O-CG2 3.44Å; I114-V118 PolarHBondContact O-N 2.85Å
115A96.1Very high96Very high5 Ų574.1 Ų74.14%0.04140%0.403CS..Hα-helixtrans-59-49.1-178.100000112.5S111 S112 G117 V118 H119 E120S111-A115 PolarHBondContact O-N 2.81Å; S112-A115 PolarHBondContact O-N 3.43Å; A115-G117 VanDerWaalsContact C-N 3.31Å; A115-G117 PolarHBondContact O-N 3.12Å; A115-V118 PolarHBondContact O-N 3.11Å; A115-H119 PolarHBondContact O-N 2.92Å; A115-E120 HydrophobicContact CB-CG 4.05Å; A115-E120 PolarHBondContact O-N 3.33Å
116K95.7Very high96Very high127 Ų12774 Ų7455%0.55240%0.4SS*.Hα-helixtrans-59.2-40.2174.8-71.5170.1-172.2164.20112.9S112 I114 V118 E120S112-K116 WeakPolarHBondContact O-CB 3.48Å; S112-K116 VanDerWaalsContact O-CG 3.29Å; S112-K116 WeakPolarHBondContact O-CG 3.47Å; S112-K116 PolarHBondContact O-N 2.71Å; I114-K116 PolarHBondContact O-N 3.2Å; K116-V118 VanDerWaalsContact C-N 3.33Å; K116-E120 VanDerWaalsContact CG-OE2 3.23Å; K116-E120 WeakPolarHBondContact CG-OE2 3.39Å
117G95.3Very high95.9Very high31 Ų3170 Ų7032%0.3238%0.375SS..Hα-helixtrans-71.1-2618000000113.9D113 I114 A115 R122 G320D113-G117 PolarHBondContact O-N 3.03Å; I114-G117 PolarHBondContact O-N 2.87Å; A115-G117 VanDerWaalsContact C-N 3.31Å; A115-G117 PolarHBondContact O-N 3.12Å; G117-R122 PolarHBondContact O-NH2 2.78Å; G117-G320 WeakPolarHBondContact O-CA 3.38Å
118V96.2Very high95.9Very high0 Ų067.6 Ų67.60%036%0.363CS..Hα-helixtrans-110.5-51.4-166.7174.30000113.2I114 A115 K116 R122 G128 I319I114-V118 HydrophobicContact CG2-CG2 4Å; I114-V118 VanDerWaalsContact O-CB 3.3Å; I114-V118 WeakPolarHBondContact O-CB 3.33Å; I114-V118 WeakPolarHBondContact O-CG2 3.44Å; I114-V118 PolarHBondContact O-N 2.85Å; A115-V118 PolarHBondContact O-N 3.11Å; K116-V118 VanDerWaalsContact C-N 3.33Å; V118-R122 WeakPolarHBondContact O-CD 3.42Å; V118-G128 WeakPolarHBondContact CG1-O 3.36Å; V118-G128 PolarHBondContact O-N 3.31Å; V118-I319 HydrophobicContact CG2-CD1 4.42Å; V118-I319 HydrophobicContact CG2-CG1 3.95Å
119H96.2Very high95.9Very high40 Ų4060.3 Ų60.319%0.18533%0.329CS..THydrogen-bonded Turntrans-135.6-27.5-165.26482.9000115.7Q110 A115 G121 R122 I127Q110-H119 PolarHBondContact OE1-NE2 3.21Å; A115-H119 PolarHBondContact O-N 2.92Å; H119-G121 PolarHBondContact O-N 3.26Å; H119-R122 PolarHBondContact O-N 2.77Å; H119-I127 HydrophobicContact CB-CG2 4.3Å
120E94.7Very high95.9Very high98 Ų9854.6 Ų54.646%0.45831%0.305SS..THydrogen-bonded Turntrans-64.6133.2-178.2-67.3-176.1171.600112A115 K116 R122A115-E120 HydrophobicContact CB-CG 4.05Å; A115-E120 PolarHBondContact O-N 3.33Å; K116-E120 VanDerWaalsContact CG-OE2 3.23Å; K116-E120 WeakPolarHBondContact CG-OE2 3.39Å; E120-R122 PolarHBondContact O-N 3.48Å
121G94.4Very high95.9Very high94 Ų9457.3 Ų57.397%0.96932%0.32SS*.THydrogen-bonded Turntrans71.15.9179.200000115.2H119H119-G121 PolarHBondContact O-N 3.26Å
122R95.2Very high95.9Very high99 Ų9961.2 Ų61.237%0.37433%0.332SS..  trans-102.4152179.8-58.2-170.3-177-158.13.2111.9G117 V118 H119 E120 D126 G320G117-R122 PolarHBondContact O-NH2 2.78Å; V118-R122 WeakPolarHBondContact O-CD 3.42Å; H119-R122 PolarHBondContact O-N 2.77Å; E120-R122 PolarHBondContact O-N 3.48Å; R122-D126 WeakPolarHBondContact CD-O 3.46Å; R122-G320 PolarHBondContact NH1-O 3.46Å; R122-G320 PolarHBondContact NH2-O 3.47Å
123K95.2Very high96Very high147 Ų14759.1 Ų59.164%0.63932%0.322SS*.  trans-71.2151.8166.3-65.5-179.3-177.7175.20109.2E125 D126 I127K123-E125 PolarHBondContact O-N 3.31Å; K123-D126 CarbonylContact O-C 3.51Å; K123-D126 PolarHBondContact O-N 3.02Å; K123-I127 PolarHBondContact O-N 2.7Å
124I94.4Very high96.1Very high40 Ų4056.9 Ų56.921%0.20531%0.309CS..G310 helixtrans-57.3-38.4-176.2-178.756.5000112.4D126 I127 Y284 G355 V358I124-D126 PolarHBondContact O-N 3.19Å; I124-I127 HydrophobicContact CD1-CD1 4.32Å; I124-I127 HydrophobicContact CD1-CG2 4.31Å; I124-I127 WeakPolarHBondContact O-CG1 3.45Å; I124-Y284 HydrophobicContact CD1-CE2 4.04Å; I124-Y284 WeakPolarHBondContact CD1-OH 3.48Å; I124-G355 WeakPolarHBondContact O-CA 3.38Å; I124-V358 HydrophobicContact CD1-CG1 4.29Å; I124-V358 HydrophobicContact CG1-CG1 4.44Å
125E95Very high96.3Very high60 Ų6054 Ų5428%0.2830%0.295SS..G310 helixtrans-67.8-24.1-179.3-58.379.8-173.700113.1K123 R353 V356 K359K123-E125 PolarHBondContact O-N 3.31Å; E125-R353 PolarHBondContact O-NH1 3.47Å; E125-V356 HydrophobicContact CB-CG2 4.41Å; E125-K359 IonicContact OE1-NZ 3.58Å; E125-K359 PolarHBondContact OE1-NZ 2.85Å
126D96.9Very high96.4Very high68 Ų6855.2 Ų55.236%0.36430%0.299SS..G310 helixtrans-111.512.9-171.2-53.8-40.5000112.2R122 K123 I124 G128 R353R122-D126 WeakPolarHBondContact CD-O 3.46Å; K123-D126 CarbonylContact O-C 3.51Å; K123-D126 PolarHBondContact O-N 3.02Å; I124-D126 PolarHBondContact O-N 3.19Å; D126-G128 PolarHBondContact O-N 3.43Å; D126-R353 IonicContact OD1-NH1 3.11Å; D126-R353 PolarHBondContact OD1-NH1 2.64Å
127I97Very high96.6Very high6 Ų649.2 Ų49.23%0.03127%0.273CS..PPolyproline II helixtrans-58.9141.1171.166.9167.8000109.5H119 K123 I124 Y284 A322 P354H119-I127 HydrophobicContact CB-CG2 4.3Å; K123-I127 PolarHBondContact O-N 2.7Å; I124-I127 HydrophobicContact CD1-CD1 4.32Å; I124-I127 HydrophobicContact CD1-CG2 4.31Å; I124-I127 WeakPolarHBondContact O-CG1 3.45Å; I127-Y284 HydrophobicContact CD1-CD2 4.23Å; I127-Y284 HydrophobicContact CD1-CE2 3.46Å; I127-Y284 VanDerWaalsContact CD1-CE2 3.46Å; I127-A322 WeakPolarHBondContact O-CA 3.21Å; I127-A322 VanDerWaalsContact O-CB 3.3Å; I127-A322 WeakPolarHBondContact O-CB 3.43Å; I127-P354 HydrophobicContact CD1-CB 4.27Å; I127-P354 HydrophobicContact CG1-CB 4.37Å
128G97Very high96.8Very high0 Ų047.7 Ų47.70%026%0.257CS..PPolyproline II helixtrans-70.7160.5172.500000111.6V118 D126 G130 G320V118-G128 WeakPolarHBondContact CG1-O 3.36Å; V118-G128 PolarHBondContact O-N 3.31Å; D126-G128 PolarHBondContact O-N 3.43Å; G128-G130 PolarHBondContact O-N 3.12Å; G128-G320 VanDerWaalsContact CA-C 3.48Å
129A97.5Very high96.9Very high0 Ų047.7 Ų47.70%026%0.257CS..BIsolated β-bridgetrans-57.3136.5162.200000109.9D131 V287 Y317 I319 G320 I321 P354A129-D131 WeakPolarHBondContact CB-O 3.27Å; A129-D131 PolarHBondContact O-N 3.4Å; A129-V287 HydrophobicContact CB-CB 4.49Å; A129-V287 HydrophobicContact CB-CG1 3.56Å; A129-V287 HydrophobicContact CB-CG2 4.1Å; A129-Y317 HydrophobicContact CB-CD1 4.02Å; A129-Y317 HydrophobicContact CB-CG 4.06Å; A129-I319 WeakPolarHBondContact O-CA 3.32Å; A129-G320 PolarHBondContact O-N 2.63Å; A129-I321 PolarHBondContact N-O 3.23Å; A129-P354 HydrophobicContact CB-CG 4.42Å
130G96.2Very high97Very high9 Ų945.8 Ų45.89%0.09325%0.249CC..SBendtrans-67.7-15.8179.800000114.2G128 S285G128-G130 PolarHBondContact O-N 3.12Å; G130-S285 VanDerWaalsContact CA-O 3.31Å; G130-S285 WeakPolarHBondContact CA-O 3.46Å; G130-S285 PolarHBondContact N-O 2.89Å
131D96.8Very high97.2Very high79 Ų7944 Ų4442%0.42224%0.242SC..SBendtrans-157169.2173.9-158.7-2000109.8A129A129-D131 WeakPolarHBondContact CB-O 3.27Å; A129-D131 PolarHBondContact O-N 3.4Å
132Q97.5Very high97.4Very high132 Ų13240.9 Ų40.962%0.61720%0.202SC*.  trans-73.8159.9161.46617443.400111Y317Q132-Y317 VanDerWaalsContact CA-O 3.26Å; Q132-Y317 WeakPolarHBondContact CA-O 3.49Å
133G97.7Very high97.5Very high23 Ų2337.1 Ų37.124%0.23719%0.19CC..EExtended strand (participates in β ladder)trans161.8-177.4169.500000112.8M135 S316 Y317G133-M135 VanDerWaalsContact C-CE 3.48Å; G133-S316 CarbonylContact O-C 3.55Å; G133-S316 WeakPolarHBondContact O-CA 3.47Å; G133-S316 VanDerWaalsContact O-CB 3.31Å; G133-S316 WeakPolarHBondContact O-CB 3.35Å; G133-Y317 PolarHBondContact N-O 3.36Å; G133-Y317 VanDerWaalsContact N-O 3.12Å; G133-Y317 PolarHBondContact O-N 2.96Å
134L98.5Very high97.6Very high72 Ų7237.6 Ų37.638%0.37720%0.195SC..EExtended strand (participates in β ladder)trans-130.4143.2174.558.2111.9000109.5F136 G275 L315L134-F136 HydrophobicContact CD1-CD2 4.27Å; L134-F136 HydrophobicContact CD1-CE2 3.4Å; L134-F136 VanDerWaalsContact CD1-CE2 3.4Å; L134-F136 HydrophobicContact CD1-CZ 4.01Å; L134-G275 WeakPolarHBondContact O-CA 3.23Å; L134-L315 CarbonylContact C-O 3.52Å; L134-L315 VanDerWaalsContact CA-O 3.23Å; L134-L315 WeakPolarHBondContact CA-O 3.27Å
135M98.8Very high97.8Very high5 Ų539.1 Ų39.13%0.02520%0.201CC..EExtended strand (participates in β ladder)trans-136150.9-174.4-59.782.6-149.700109.4G133 V287 D288 A291 A292 Q314 L315 Y317G133-M135 VanDerWaalsContact C-CE 3.48Å; M135-V287 HydrophobicContact CE-CB 4.27Å; M135-V287 HydrophobicContact CE-CG2 3.7Å; M135-V287 WeakPolarHBondContact CG-O 3.28Å; M135-V287 HydrophobicContact SD-CB 4.32Å; M135-V287 HydrophobicContact SD-CG2 4.26Å; M135-D288 WeakPolarHBondContact CE-OD1 3.49Å; M135-A291 HydrophobicContact CB-CB 4.36Å; M135-A291 HydrophobicContact CG-CB 4.11Å; M135-A291 HydrophobicContact SD-CB 4.08Å; M135-A292 HydrophobicContact CB-CB 4.26Å; M135-Q314 WeakPolarHBondContact O-CA 3.41Å; M135-L315 PolarHBondContact N-O 2.98Å; M135-L315 PolarHBondContact O-N 2.94Å; M135-Y317 HydrophobicContact SD-CD2 3.99Å; M135-Y317 HydrophobicContact SD-CE2 4.32Å
136F98.9Very high97.9Very high30 Ų3036.4 Ų36.413%0.13219%0.189CC..EExtended strand (participates in β ladder)trans-126.7137.2-178.9-67.5-87.8000113.2L134 Y268 A273 H274 L312 V313 Q314L134-F136 HydrophobicContact CD1-CD2 4.27Å; L134-F136 HydrophobicContact CD1-CE2 3.4Å; L134-F136 VanDerWaalsContact CD1-CE2 3.4Å; L134-F136 HydrophobicContact CD1-CZ 4.01Å; F136-Y268 PolarHBondContact O-OH 2.96Å; F136-A273 HydrophobicContact CB-CB 4.4Å; F136-A273 WeakPolarHBondContact CB-O 3.4Å; F136-A273 HydrophobicContact CD1-CB 3.74Å; F136-A273 HydrophobicContact CD2-CB 3.81Å; F136-A273 HydrophobicContact CE1-CB 3.76Å; F136-A273 HydrophobicContact CE2-CB 3.82Å; F136-A273 HydrophobicContact CG-CB 3.74Å; F136-A273 HydrophobicContact CZ-CB 3.79Å; F136-H274 VanDerWaalsContact CD2-C 3.48Å; F136-L312 HydrophobicContact CB-CD1 4.06Å; F136-L312 HydrophobicContact CD1-CD1 3.75Å; F136-L312 HydrophobicContact CD1-CD2 4.16Å; F136-L312 HydrophobicContact CD1-CG 3.98Å; F136-L312 HydrophobicContact CE1-CD2 4.25Å; F136-L312 HydrophobicContact CE1-CG 4.5Å; F136-L312 HydrophobicContact CG-CD1 4.28Å; F136-V313 CarbonylContact C-O 3.58Å; F136-V313 VanDerWaalsContact CA-O 3.23Å; F136-V313 WeakPolarHBondContact CA-O 3.18Å; F136-Q314 HydrophobicContact CD1-CB 3.79Å; F136-Q314 HydrophobicContact CD1-CG 3.98Å; F136-Q314 HydrophobicContact CE1-CB 3.58Å; F136-Q314 HydrophobicContact CE1-CG 3.52Å; F136-Q314 HydrophobicContact CZ-CB 4.41Å; F136-Q314 HydrophobicContact CZ-CG 3.85Å; F136-Q314 VanDerWaalsContact CZ-NE2 3.28Å
137G98.9Very high98Very high0 Ų033.3 Ų33.30%017%0.172CC..EExtended strand (participates in β ladder)trans-107.3131.7169.200000110.2Y268 A295 L312 V313G137-Y268 VanDerWaalsContact CA-OH 3.32Å; G137-Y268 WeakPolarHBondContact CA-OH 3.28Å; G137-A295 WeakPolarHBondContact CA-O 3.34Å; G137-A295 VanDerWaalsContact N-CB 3.3Å; G137-L312 CarbonylContact O-C 3.55Å; G137-L312 WeakPolarHBondContact O-CA 3.41Å; G137-V313 PolarHBondContact N-O 2.82Å; G137-V313 PolarHBondContact O-N 2.92Å
138Y99Very high98.1Very high0 Ų033 Ų330%017%0.171CC..EExtended strand (participates in β ladder)trans-132.8143.2175.9178.9-98.3000111.2T140 P148 Y268 W271 R296 R310 V311 L312 Y332Y138-T140 HydrophobicContact CE1-CG2 3.72Å; Y138-P148 HydrophobicContact CD1-CG 4.36Å; Y138-P148 HydrophobicContact CE1-CG 3.85Å; Y138-Y268 HydrophobicContact CD1-CD1 4.03Å; Y138-Y268 HydrophobicContact CD1-CG 4.16Å; Y138-Y268 HydrophobicContact CG-CD1 4.41Å; Y138-Y268 HydrophobicContact CG-CG 4.37Å; Y138-Y268 VanDerWaalsContact N-CZ 3.26Å; Y138-Y268 PolarHBondContact N-OH 2.88Å; Y138-Y268 WeakPolarHBondContact O-CE1 3.2Å; Y138-W271 HydrophobicContact CD1-CB 4.47Å; Y138-W271 HydrophobicContact CE1-CB 4.01Å; Y138-R296 PolarHBondContact O-NH1 2.89Å; Y138-R310 HydrophobicContact CE2-CG 3.81Å; Y138-R310 WeakPolarHBondContact OH-CD 3.45Å; Y138-R310 WeakPolarHBondContact OH-CG 3.36Å; Y138-R310 PolarHBondContact OH-NE 3.18Å; Y138-V311 WeakPolarHBondContact CA-O 3.19Å; Y138-V311 VanDerWaalsContact CD2-O 3.25Å; Y138-V311 WeakPolarHBondContact CD2-O 3.16Å; Y138-L312 HydrophobicContact CD2-CD1 4.44Å; Y138-Y332 HydrophobicContact CE2-CE2 4.06Å
139A98.9Very high98.2Very high0 Ų034.1 Ų34.10%018%0.176CC..EExtended strand (participates in β ladder)trans-147.3149.9170.100000110.3C146 A299 K300 V303 R310 V311A139-C146 HydrophobicContact CB-CB 4.21Å; A139-A299 VanDerWaalsContact CB-C 3.48Å; A139-A299 HydrophobicContact CB-CB 3.89Å; A139-A299 WeakPolarHBondContact CB-O 3.31Å; A139-K300 HydrophobicContact CB-CB 4.5Å; A139-V303 HydrophobicContact CB-CB 4.26Å; A139-V303 HydrophobicContact CB-CG2 3.65Å; A139-R310 WeakPolarHBondContact O-CA 3.47Å; A139-V311 HydrophobicContact CB-CG1 4.36Å; A139-V311 PolarHBondContact N-O 3.33Å; A139-V311 VanDerWaalsContact N-O 3.16Å; A139-V311 PolarHBondContact O-N 3.24Å
140T98.9Very high98.3Very high0 Ų034.1 Ų34.10%018%0.176CC..EExtended strand (participates in β ladder)trans-142.1150.5-177.8172.80000107.9Y138 E142 C146 P148 R309Y138-T140 HydrophobicContact CE1-CG2 3.72Å; T140-E142 VanDerWaalsContact C-N 3.31Å; T140-E142 WeakPolarHBondContact CB-OE2 3.45Å; T140-E142 HydrophobicContact CG2-CG 3.7Å; T140-E142 VanDerWaalsContact CG2-OE2 3.28Å; T140-E142 WeakPolarHBondContact CG2-OE2 3.17Å; T140-E142 WeakPolarHBondContact OG1-CG 3.46Å; T140-E142 PolarHBondContact OG1-N 2.98Å; T140-E142 PolarHBondContact OG1-OE2 3.2Å; T140-C146 PolarHBondContact N-O 3.42Å; T140-C146 CarbonylContact O-C 3.55Å; T140-C146 VanDerWaalsContact O-C 3.31Å; T140-C146 WeakPolarHBondContact O-CA 3.38Å; T140-C146 VanDerWaalsContact O-CB 3.32Å; T140-C146 WeakPolarHBondContact O-CB 3.14Å; T140-P148 HydrophobicContact CG2-CG 4.37Å; T140-R309 CarbonylContact C-O 3.41Å; T140-R309 WeakPolarHBondContact CA-O 3.44Å
141D98.4Very high98.4Very high60 Ų6033.7 Ų33.732%0.32117%0.172SC..SBendtrans-90.58179.672.4-23.1000113.4T143 V303 R309D141-T143 VanDerWaalsContact C-N 3.31Å; D141-T143 PolarHBondContact O-N 2.92Å; D141-V303 HydrophobicContact CB-CG1 4.08Å; D141-R309 HydrophobicContact CB-CB 4.39Å; D141-R309 WeakPolarHBondContact CB-O 3.3Å; D141-R309 PolarHBondContact N-O 3Å; D141-R309 IonicContact OD1-NE 3.81Å; D141-R309 IonicContact OD1-NH2 3.89Å; D141-R309 WeakPolarHBondContact OD2-CB 3.5Å; D141-R309 WeakPolarHBondContact OD2-CG 3.5Å; D141-R309 IonicContact OD2-CZ 3.55Å; D141-R309 IonicContact OD2-NE 2.74Å; D141-R309 PolarHBondContact OD2-NE 3.32Å; D141-R309 IonicContact OD2-NH2 3.51Å
142E98Very high98.5Very high29 Ų2931.8 Ų31.814%0.13616%0.163CC..SBendtrans-70.3-22.3-176.772.5-168.8-101.300114.5T140 M147 P148 L149 Y185 P194T140-E142 VanDerWaalsContact C-N 3.31Å; T140-E142 WeakPolarHBondContact CB-OE2 3.45Å; T140-E142 HydrophobicContact CG2-CG 3.7Å; T140-E142 VanDerWaalsContact CG2-OE2 3.28Å; T140-E142 WeakPolarHBondContact CG2-OE2 3.17Å; T140-E142 WeakPolarHBondContact OG1-CG 3.46Å; T140-E142 PolarHBondContact OG1-N 2.98Å; T140-E142 PolarHBondContact OG1-OE2 3.2Å; E142-M147 VanDerWaalsContact CG-O 3.29Å; E142-M147 WeakPolarHBondContact CG-O 3.24Å; E142-P148 VanDerWaalsContact CD-CA 3.47Å; E142-P148 VanDerWaalsContact OE1-CA 3.27Å; E142-P148 WeakPolarHBondContact OE1-CA 3.49Å; E142-L149 PolarHBondContact OE1-N 2.82Å; E142-Y185 VanDerWaalsContact OE1-CE1 3.28Å; E142-Y185 WeakPolarHBondContact OE1-CE1 3.49Å; E142-Y185 PolarHBondContact OE1-OH 3.04Å; E142-P194 HydrophobicContact CB-CG 4.09Å
143T98.3Very high98.5Very high20 Ų2026 Ų2612%0.12314%0.137CC..SBendtrans-131.6162.3169.981.90000111.6D141 E145 C146 M147 L149D141-T143 VanDerWaalsContact C-N 3.31Å; D141-T143 PolarHBondContact O-N 2.92Å; T143-E145 VanDerWaalsContact CB-OE2 3.24Å; T143-E145 WeakPolarHBondContact CB-OE2 3.4Å; T143-E145 PolarHBondContact O-N 3.45Å; T143-E145 PolarHBondContact OG1-N 3.43Å; T143-E145 PolarHBondContact OG1-OE2 3.05Å; T143-C146 PolarHBondContact O-N 3.41Å; T143-M147 WeakPolarHBondContact CG2-O 3.39Å; T143-M147 PolarHBondContact OG1-N 3.2Å; T143-M147 PolarHBondContact OG1-O 3.22Å; T143-L149 HydrophobicContact CG2-CB 4.07Å; T143-L149 HydrophobicContact CG2-CD1 3.92Å
144E97Very high98.6Very high156 Ų15624.9 Ų24.973%0.72913%0.125SC*.THydrogen-bonded Turntrans-60.3-35.3179.2-173.5179.316900112.3C146 K304E144-C146 PolarHBondContact O-N 2.83Å; E144-K304 VanDerWaalsContact O-CE 3.29Å; E144-K304 WeakPolarHBondContact O-CE 3.46Å; E144-K304 PolarHBondContact O-NZ 3.3Å
145E97.7Very high98.6Very high72 Ų7222.2 Ų22.234%0.33611%0.111SC..THydrogen-bonded Turntrans-75.6-1.6179.3-51.476.1-165.200112.7T143 M147 R296 K300 G378T143-E145 VanDerWaalsContact CB-OE2 3.24Å; T143-E145 WeakPolarHBondContact CB-OE2 3.4Å; T143-E145 PolarHBondContact O-N 3.45Å; T143-E145 PolarHBondContact OG1-N 3.43Å; T143-E145 PolarHBondContact OG1-OE2 3.05Å; E145-M147 HydrophobicContact CB-CG 4.44Å; E145-R296 PolarHBondContact O-NH2 2.92Å; E145-K300 WeakPolarHBondContact O-CE 3.34Å; E145-G378 WeakPolarHBondContact CB-O 3.17Å; E145-G378 WeakPolarHBondContact CG-O 3.26Å
146C98.8Very high98.6Very high3 Ų323.6 Ų23.62%0.0212%0.123CC..SBendtrans58.541-172.9-60.20000114.3A139 T140 T143 E144 R296 K300 K304A139-C146 HydrophobicContact CB-CB 4.21Å; T140-C146 PolarHBondContact N-O 3.42Å; T140-C146 CarbonylContact O-C 3.55Å; T140-C146 VanDerWaalsContact O-C 3.31Å; T140-C146 WeakPolarHBondContact O-CA 3.38Å; T140-C146 VanDerWaalsContact O-CB 3.32Å; T140-C146 WeakPolarHBondContact O-CB 3.14Å; T143-C146 PolarHBondContact O-N 3.41Å; E144-C146 PolarHBondContact O-N 2.83Å; C146-R296 PolarHBondContact O-NH1 3.02Å; C146-K300 HydrophobicContact CB-CG 4.02Å; C146-K304 WeakPolarHBondContact SG-CE 3.36Å
147M98.9Very high98.6Very high3 Ų322.2 Ų22.22%0.01512%0.117CC..SBendtrans-121.6156.4-178.4-75.4-63.4-74.800111.3E142 T143 E145 L149 V151 T152 T267 Y268 R296 F377E142-M147 VanDerWaalsContact CG-O 3.29Å; E142-M147 WeakPolarHBondContact CG-O 3.24Å; T143-M147 WeakPolarHBondContact CG2-O 3.39Å; T143-M147 PolarHBondContact OG1-N 3.2Å; T143-M147 PolarHBondContact OG1-O 3.22Å; E145-M147 HydrophobicContact CB-CG 4.44Å; M147-L149 PolarHBondContact O-N 3.24Å; M147-V151 HydrophobicContact CE-CG1 3.98Å; M147-T152 WeakPolarHBondContact CB-OG1 3.43Å; M147-T267 WeakPolarHBondContact CE-O 3.45Å; M147-Y268 HydrophobicContact CE-CD1 4.21Å; M147-Y268 HydrophobicContact SD-CD1 4.22Å; M147-Y268 HydrophobicContact SD-CE1 4.48Å; M147-R296 VanDerWaalsContact SD-CZ 3.59Å; M147-F377 HydrophobicContact CE-CB 3.86Å; M147-F377 HydrophobicContact SD-CB 3.76Å
148P98.9Very high98.6Very high0 Ų022.2 Ų22.20%012%0.117CC..  trans-61.8130.1171.6-16.726.5000112.8Y138 T140 E142 T150 V151 T152 W271Y138-P148 HydrophobicContact CD1-CG 4.36Å; Y138-P148 HydrophobicContact CE1-CG 3.85Å; T140-P148 HydrophobicContact CG2-CG 4.37Å; E142-P148 VanDerWaalsContact CD-CA 3.47Å; E142-P148 VanDerWaalsContact OE1-CA 3.27Å; E142-P148 WeakPolarHBondContact OE1-CA 3.49Å; P148-T150 PolarHBondContact O-N 3.12Å; P148-V151 HydrophobicContact CB-CG1 4.13Å; P148-V151 HydrophobicContact CG-CG1 4.19Å; P148-V151 WeakPolarHBondContact O-CG1 3.5Å; P148-V151 PolarHBondContact O-N 2.86Å; P148-T152 PolarHBondContact O-N 2.67Å; P148-T152 PolarHBondContact O-OG1 2.91Å; P148-W271 HydrophobicContact CB-CB 4.39Å; P148-W271 HydrophobicContact CB-CD2 4.31Å; P148-W271 HydrophobicContact CB-CG 3.75Å; P148-W271 HydrophobicContact CG-CB 3.66Å; P148-W271 HydrophobicContact CG-CD2 4.44Å; P148-W271 HydrophobicContact CG-CG 3.56Å
149L98.8Very high98.6Very high23 Ų2327.7 Ų27.712%0.1214%0.141CC..Hα-helixtrans-58.3-36.5-180-175.867.5000111.7E142 T143 M147 V151 T152 L153 P194 L232E142-L149 PolarHBondContact OE1-N 2.82Å; T143-L149 HydrophobicContact CG2-CB 4.07Å; T143-L149 HydrophobicContact CG2-CD1 3.92Å; M147-L149 PolarHBondContact O-N 3.24Å; L149-V151 PolarHBondContact O-N 2.7Å; L149-T152 PolarHBondContact O-N 3.37Å; L149-L153 HydrophobicContact CD1-CD1 4.03Å; L149-L153 HydrophobicContact CD1-CD2 4.27Å; L149-L153 HydrophobicContact CD1-CG 3.87Å; L149-L153 HydrophobicContact CD2-CD1 4.27Å; L149-L153 HydrophobicContact CG-CD1 3.81Å; L149-L153 HydrophobicContact CG-CG 4.05Å; L149-L153 WeakPolarHBondContact O-CB 3.25Å; L149-L153 VanDerWaalsContact O-CG 3.29Å; L149-L153 WeakPolarHBondContact O-CG 3.43Å; L149-L153 PolarHBondContact O-N 3.11Å; L149-P194 HydrophobicContact CB-CG 4.05Å; L149-P194 HydrophobicContact CD2-CB 3.51Å; L149-P194 HydrophobicContact CD2-CG 3.7Å; L149-L232 HydrophobicContact CD2-CD1 3.88Å
150T98.9Very high98.6Very high0 Ų030.2 Ų30.20%015%0.15CC..Hα-helixtrans-56.3-48.2177.749.50000112.6F17 S19 P148 S154 V183 Y185 W271F17-T150 WeakPolarHBondContact O-CG2 3.44Å; S19-T150 VanDerWaalsContact OG-CB 3.25Å; S19-T150 WeakPolarHBondContact OG-CB 3.41Å; S19-T150 PolarHBondContact OG-OG1 2.97Å; P148-T150 PolarHBondContact O-N 3.12Å; T150-S154 WeakPolarHBondContact O-CB 3.47Å; T150-S154 PolarHBondContact O-N 3.04Å; T150-S154 PolarHBondContact O-OG 3.46Å; T150-V183 HydrophobicContact CG2-CB 3.69Å; T150-V183 HydrophobicContact CG2-CG2 3.64Å; T150-Y185 HydrophobicContact CG2-CE2 3.84Å; T150-W271 PolarHBondContact OG1-NE1 3.2Å
151V98.8Very high98.6Very high0 Ų030.5 Ų30.50%015%0.152CC..Hα-helixtrans-77.9-37.7-178.474.90000111.4M147 P148 L149 L153 S154 H155M147-V151 HydrophobicContact CE-CG1 3.98Å; P148-V151 HydrophobicContact CB-CG1 4.13Å; P148-V151 HydrophobicContact CG-CG1 4.19Å; P148-V151 WeakPolarHBondContact O-CG1 3.5Å; P148-V151 PolarHBondContact O-N 2.86Å; L149-V151 PolarHBondContact O-N 2.7Å; V151-L153 PolarHBondContact O-N 2.66Å; V151-S154 PolarHBondContact O-N 2.97Å; V151-H155 PolarHBondContact O-CD2 2.8Å; V151-H155 PolarHBondContact O-N 3.45Å
152T98.7Very high98.6Very high40 Ų4027.9 Ų27.925%0.24514%0.139CC..Hα-helixtrans-56.5-49.2174.6-59.70000111.5M147 P148 L149 H155 A156M147-T152 WeakPolarHBondContact CB-OG1 3.43Å; P148-T152 PolarHBondContact O-N 2.67Å; P148-T152 PolarHBondContact O-OG1 2.91Å; L149-T152 PolarHBondContact O-N 3.37Å; T152-H155 PolarHBondContact O-N 2.93Å; T152-A156 WeakPolarHBondContact O-CB 3.49Å; T152-A156 PolarHBondContact O-N 3.17Å
153L98.8Very high98.6Very high10 Ų1029 Ų295%0.05215%0.147CC..Hα-helixtrans-65.6-40177.1-68.3179000111.8L149 V151 H155 A156 L157 V181 V197 V227 I228L149-L153 HydrophobicContact CD1-CD1 4.03Å; L149-L153 HydrophobicContact CD1-CD2 4.27Å; L149-L153 HydrophobicContact CD1-CG 3.87Å; L149-L153 HydrophobicContact CD2-CD1 4.27Å; L149-L153 HydrophobicContact CG-CD1 3.81Å; L149-L153 HydrophobicContact CG-CG 4.05Å; L149-L153 WeakPolarHBondContact O-CB 3.25Å; L149-L153 VanDerWaalsContact O-CG 3.29Å; L149-L153 WeakPolarHBondContact O-CG 3.43Å; L149-L153 PolarHBondContact O-N 3.11Å; V151-L153 PolarHBondContact O-N 2.66Å; L153-H155 PolarHBondContact O-N 3.18Å; L153-A156 PolarHBondContact O-N 3.1Å; L153-L157 VanDerWaalsContact O-CG 3.29Å; L153-L157 WeakPolarHBondContact O-CG 3.3Å; L153-L157 PolarHBondContact O-N 3.22Å; L153-V181 HydrophobicContact CB-CG1 4.34Å; L153-V181 HydrophobicContact CB-CG2 4.16Å; L153-V181 HydrophobicContact CD1-CG1 4.22Å; L153-V197 HydrophobicContact CD1-CG2 3.96Å; L153-V227 HydrophobicContact CD2-CG1 4.4Å; L153-I228 HydrophobicContact CD1-CG2 4.42Å; L153-I228 HydrophobicContact CD2-CG1 4.39Å
154S98.8Very high98.6Very high0 Ų028 Ų280%014%0.141CC..Hα-helixtrans-62.7-43178.6-59.50000111.8S19 S21 T150 V151 N158 T179 V181S19-S154 PolarHBondContact O-OG 3.3Å; S21-S154 VanDerWaalsContact CB-C 3.42Å; S21-S154 WeakPolarHBondContact CB-O 3.29Å; T150-S154 WeakPolarHBondContact O-CB 3.47Å; T150-S154 PolarHBondContact O-N 3.04Å; T150-S154 PolarHBondContact O-OG 3.46Å; V151-S154 PolarHBondContact O-N 2.97Å; S154-N158 PolarHBondContact O-N 3.41Å; S154-N158 PolarHBondContact O-ND2 3.12Å; S154-T179 PolarHBondContact O-OG1 3.18Å; S154-V181 WeakPolarHBondContact OG-CG2 3.42Å; S154-V181 PolarHBondContact OG-N 2.97Å
155H98.8Very high98.7Very high15 Ų1522.5 Ų22.57%0.06911%0.114CC..Hα-helixtrans-62.5-46.3172.8-69.6-36000112.1S21 V151 T152 L153 L157 N158 K159 V265 Y374 G375S21-H155 VanDerWaalsContact CB-ND1 3.35Å; S21-H155 WeakPolarHBondContact CB-ND1 3.39Å; S21-H155 PolarHBondContact OG-ND1 3.05Å; V151-H155 PolarHBondContact O-CD2 2.8Å; V151-H155 PolarHBondContact O-N 3.45Å; T152-H155 PolarHBondContact O-N 2.93Å; L153-H155 PolarHBondContact O-N 3.18Å; H155-L157 VanDerWaalsContact C-N 3.31Å; H155-L157 PolarHBondContact O-N 3.27Å; H155-N158 PolarHBondContact O-N 3.35Å; H155-K159 WeakPolarHBondContact O-CB 3.39Å; H155-K159 PolarHBondContact O-N 3.13Å; H155-V265 PolarHBondContact CE1-O 3.48Å; H155-V265 PolarHBondContact NE2-O 2.74Å; H155-Y374 PolarHBondContact CD2-O 3.28Å; H155-G375 WeakPolarHBondContact NE2-CA 3.33Å
156A98.7Very high98.7Very high35 Ų3524.2 Ų24.229%0.28912%0.117SC..Hα-helixtrans-61.3-38-178.200000112.5T152 L153 K159 R160 V227T152-A156 WeakPolarHBondContact O-CB 3.49Å; T152-A156 PolarHBondContact O-N 3.17Å; L153-A156 PolarHBondContact O-N 3.1Å; A156-K159 PolarHBondContact O-N 3.37Å; A156-R160 WeakPolarHBondContact O-CB 3.32Å; A156-R160 PolarHBondContact O-N 3.47Å; A156-V227 HydrophobicContact CB-CG1 3.43Å; A156-V227 VanDerWaalsContact CB-CG1 3.43Å; A156-V227 HydrophobicContact CB-CG2 4.49Å
157L98.9Very high98.6Very high0 Ų029.6 Ų29.60%015%0.146CC..Hα-helixtrans-61.5-47.1174.5-70.2169.2000111.9L153 H155 R160 L161 T179 V181 V200 I202 V223 I224 V227 I228L153-L157 VanDerWaalsContact O-CG 3.29Å; L153-L157 WeakPolarHBondContact O-CG 3.3Å; L153-L157 PolarHBondContact O-N 3.22Å; H155-L157 VanDerWaalsContact C-N 3.31Å; H155-L157 PolarHBondContact O-N 3.27Å; L157-R160 PolarHBondContact O-N 3.41Å; L157-L161 WeakPolarHBondContact O-CG 3.32Å; L157-L161 PolarHBondContact O-N 3Å; L157-T179 HydrophobicContact CB-CG2 3.72Å; L157-V181 HydrophobicContact CD1-CG2 3.64Å; L157-V200 HydrophobicContact CD1-CG1 3.91Å; L157-I202 HydrophobicContact CD2-CD1 4.29Å; L157-V223 HydrophobicContact CB-CG1 4.43Å; L157-V223 HydrophobicContact CD2-CG1 3.88Å; L157-I224 HydrophobicContact CD2-CG1 4.06Å; L157-V227 HydrophobicContact CD2-CB 3.92Å; L157-V227 HydrophobicContact CD2-CG1 3.98Å; L157-V227 HydrophobicContact CD2-CG2 4.36Å; L157-V227 HydrophobicContact CG-CG1 4.06Å; L157-I228 HydrophobicContact CD2-CG1 4.45Å
158N98.9Very high98.5Very high0 Ų031.7 Ų31.70%017%0.168CC..Hα-helixtrans-65.2-39.3176.4-74.8-71.4000112.3S21 G23 S154 H155 R160 L161 A162 S177 T179 Y374S21-N158 VanDerWaalsContact C-ND2 3.26Å; S21-N158 VanDerWaalsContact CB-ND2 3.31Å; S21-N158 WeakPolarHBondContact CB-ND2 3.45Å; S21-N158 PolarHBondContact O-ND2 3.44Å; S21-N158 PolarHBondContact OG-ND2 2.76Å; S21-N158 VanDerWaalsContact OG-ND2 3.09Å; G23-N158 PolarHBondContact N-OD1 2.62Å; S154-N158 PolarHBondContact O-N 3.41Å; S154-N158 PolarHBondContact O-ND2 3.12Å; H155-N158 PolarHBondContact O-N 3.35Å; N158-R160 VanDerWaalsContact C-N 3.34Å; N158-L161 WeakPolarHBondContact O-CB 3.17Å; N158-L161 PolarHBondContact O-N 3.17Å; N158-A162 PolarHBondContact O-N 3.23Å; N158-S177 PolarHBondContact OD1-OG 2.74Å; N158-T179 WeakPolarHBondContact ND2-CG2 3.41Å; N158-T179 PolarHBondContact ND2-OG1 3.19Å; N158-Y374 HydrophobicContact CB-CD1 4.37Å; N158-Y374 HydrophobicContact CB-CE1 3.93Å
159K98.6Very high98.5Very high115 Ų11535 Ų3550%0.519%0.186SC..Hα-helixtrans-64.7-39.7176.9-171.4173.7180177.40111.5H155 A156 A162 T163 Y374H155-K159 WeakPolarHBondContact O-CB 3.39Å; H155-K159 PolarHBondContact O-N 3.13Å; A156-K159 PolarHBondContact O-N 3.37Å; K159-A162 PolarHBondContact O-N 2.94Å; K159-T163 PolarHBondContact O-N 2.76Å; K159-T163 PolarHBondContact O-OG1 3.36Å; K159-Y374 HydrophobicContact CB-CD1 4.03Å; K159-Y374 HydrophobicContact CB-CD2 4.5Å; K159-Y374 HydrophobicContact CB-CE1 3.83Å; K159-Y374 HydrophobicContact CB-CE2 4.31Å; K159-Y374 HydrophobicContact CB-CG 4.35Å; K159-Y374 HydrophobicContact CD-CD2 4.38Å; K159-Y374 HydrophobicContact CG-CD2 4.37Å; K159-Y374 HydrophobicContact CG-CE2 4.11Å
160R98.7Very high98.5Very high54 Ų5434 Ų3420%0.20418%0.18CC..Hα-helixtrans-66-42.2174.6179.656.9-179.7-167.8-8.9112A156 L157 N158 A162 T163 C164 Y222 V223 E226 V227A156-R160 WeakPolarHBondContact O-CB 3.32Å; A156-R160 PolarHBondContact O-N 3.47Å; L157-R160 PolarHBondContact O-N 3.41Å; N158-R160 VanDerWaalsContact C-N 3.34Å; R160-A162 PolarHBondContact O-N 3.35Å; R160-T163 WeakPolarHBondContact O-CB 3.36Å; R160-T163 PolarHBondContact O-N 3.23Å; R160-C164 PolarHBondContact NE-SG 2.98Å; R160-C164 PolarHBondContact O-N 2.84Å; R160-C164 PolarHBondContact O-SG 3.25Å; R160-Y222 PolarHBondContact NE-O 2.99Å; R160-Y222 PolarHBondContact NH2-O 3.24Å; R160-V223 HydrophobicContact CB-CG1 4.22Å; R160-V223 HydrophobicContact CG-CB 4.37Å; R160-V223 HydrophobicContact CG-CG1 4.12Å; R160-E226 IonicContact CZ-OE2 2.64Å; R160-E226 IonicContact NH1-OE2 2.66Å; R160-E226 IonicContact NH2-OE2 3.55Å; R160-E226 PolarHBondContact NH2-OE2 3.31Å; R160-V227 HydrophobicContact CB-CG2 3.55Å; R160-V227 HydrophobicContact CG-CG2 3.91Å
161L98.6Very high98.4Very high5 Ų538.9 Ų38.93%0.02621%0.212CC..Hα-helixtrans-55.6-50.2173.2-82.8164.5000112L157 N158 T163 C164 R165 L170 T179 I202 L219 V223L157-L161 WeakPolarHBondContact O-CG 3.32Å; L157-L161 PolarHBondContact O-N 3Å; N158-L161 WeakPolarHBondContact O-CB 3.17Å; N158-L161 PolarHBondContact O-N 3.17Å; L161-T163 VanDerWaalsContact C-N 3.31Å; L161-T163 PolarHBondContact O-N 3.19Å; L161-C164 PolarHBondContact O-N 3.23Å; L161-R165 WeakPolarHBondContact O-CB 2.98Å; L161-R165 PolarHBondContact O-N 2.74Å; L161-L170 HydrophobicContact CD2-CD1 4.33Å; L161-T179 HydrophobicContact CD1-CG2 4.28Å; L161-I202 HydrophobicContact CD1-CG2 3.87Å; L161-L219 HydrophobicContact CD2-CD2 3.53Å; L161-V223 HydrophobicContact CD2-CG1 4.41Å; L161-V223 HydrophobicContact CD2-CG2 3.72Å; L161-V223 HydrophobicContact CG-CG1 3.89Å; L161-V223 HydrophobicContact CG-CG2 4.05Å
162A98.6Very high98.3Very high6 Ų639.5 Ų39.55%0.0521%0.214CC..Hα-helixtrans-61.5-39.1177.600000112.6E24 N158 K159 R160 R165 R166 Y374E24-A162 WeakPolarHBondContact OE1-CB 3.17Å; N158-A162 PolarHBondContact O-N 3.23Å; K159-A162 PolarHBondContact O-N 2.94Å; R160-A162 PolarHBondContact O-N 3.35Å; A162-R165 PolarHBondContact O-N 3.27Å; A162-R166 WeakPolarHBondContact O-CB 3.43Å; A162-R166 WeakPolarHBondContact O-CG 3.5Å; A162-R166 PolarHBondContact O-N 3.08Å; A162-Y374 VanDerWaalsContact CB-OH 3.29Å; A162-Y374 WeakPolarHBondContact CB-OH 3.33Å
163T98.5Very high98.3Very high51 Ų5138.1 Ų38.131%0.31321%0.207SC..Hα-helixtrans-62-46.9174.9-56.90000111.3K159 R160 L161 R165 R166 N167K159-T163 PolarHBondContact O-N 2.76Å; K159-T163 PolarHBondContact O-OG1 3.36Å; R160-T163 WeakPolarHBondContact O-CB 3.36Å; R160-T163 PolarHBondContact O-N 3.23Å; L161-T163 VanDerWaalsContact C-N 3.31Å; L161-T163 PolarHBondContact O-N 3.19Å; T163-R165 VanDerWaalsContact C-N 3.35Å; T163-R165 PolarHBondContact O-N 2.98Å; T163-R166 PolarHBondContact O-N 2.67Å; T163-N167 WeakPolarHBondContact O-CB 3.35Å; T163-N167 PolarHBondContact O-N 3.15Å
164C98.6Very high98.2Very high0 Ų038.1 Ų38.10%021%0.209CC..Hα-helixtrans-65.4-38.2179.9-660000112.6R160 L161 G168 I169 L170R160-C164 PolarHBondContact NE-SG 2.98Å; R160-C164 PolarHBondContact O-N 2.84Å; R160-C164 PolarHBondContact O-SG 3.25Å; L161-C164 PolarHBondContact O-N 3.23Å; C164-G168 PolarHBondContact O-N 3.46Å; C164-I169 HydrophobicContact CB-CB 4.09Å; C164-I169 HydrophobicContact CB-CG2 4.4Å; C164-I169 PolarHBondContact O-N 2.9Å; C164-L170 HydrophobicContact CB-CB 4.11Å; C164-L170 HydrophobicContact CB-CD1 3.72Å; C164-L170 HydrophobicContact CB-CG 3.7Å; C164-L170 PolarHBondContact O-N 3.36Å; C164-L170 VanDerWaalsContact O-N 3.1Å
165R98.2Very high98.2Very high41 Ų4138.2 Ų38.216%0.15521%0.21CC..Hα-helixtrans-61.4-51.1173.2176.3173.457.986-3.5111.4E24 I87 L161 A162 T163 N167 G168 A173 G174E24-R165 IonicContact OE1-NH2 2.72Å; I87-R165 PolarHBondContact O-NH1 3.31Å; I87-R165 PolarHBondContact O-NH2 2.86Å; L161-R165 WeakPolarHBondContact O-CB 2.98Å; L161-R165 PolarHBondContact O-N 2.74Å; A162-R165 PolarHBondContact O-N 3.27Å; T163-R165 VanDerWaalsContact C-N 3.35Å; T163-R165 PolarHBondContact O-N 2.98Å; R165-N167 PolarHBondContact O-N 3.02Å; R165-G168 PolarHBondContact O-N 3.19Å; R165-A173 HydrophobicContact CB-CB 4.12Å; R165-A173 WeakPolarHBondContact CD-O 3.45Å; R165-A173 HydrophobicContact CG-CB 4.33Å; R165-A173 WeakPolarHBondContact CG-O 3.44Å; R165-G174 WeakPolarHBondContact CD-O 3.44Å
166R97.7Very high98.2Very high107 Ų10737.8 Ų37.840%0.40421%0.208SC..Hα-helixtrans-66.3-35-177.8-74.8176.1172.6130.7-1113.3E24 H86 A162 T163 G168E24-R166 VanDerWaalsContact CD-NH2 3.32Å; E24-R166 IonicContact OE1-CZ 3.43Å; E24-R166 VanDerWaalsContact OE1-CZ 3.31Å; E24-R166 IonicContact OE1-NH1 3.37Å; E24-R166 PolarHBondContact OE1-NH1 3.41Å; E24-R166 IonicContact OE1-NH2 3.04Å; E24-R166 PolarHBondContact OE1-NH2 2.9Å; E24-R166 IonicContact OE2-CZ 2.7Å; E24-R166 IonicContact OE2-NH1 3.8Å; E24-R166 PolarHBondContact OE2-NH1 2.68Å; E24-R166 IonicContact OE2-NH2 3.65Å; E24-R166 PolarHBondContact OE2-NH2 3.2Å; H86-R166 PolarHBondContact O-NH2 3.44Å; A162-R166 WeakPolarHBondContact O-CB 3.43Å; A162-R166 WeakPolarHBondContact O-CG 3.5Å; A162-R166 PolarHBondContact O-N 3.08Å; T163-R166 PolarHBondContact O-N 2.67Å; R166-G168 VanDerWaalsContact C-N 3.32Å
167N97.3Very high98.2Very high117 Ų11736.4 Ų36.463%0.62620%0.196SC*.THydrogen-bonded Turntrans-88.73.1-179.4-66.7-3.5000113.4T163 R165 I169T163-N167 WeakPolarHBondContact O-CB 3.35Å; T163-N167 PolarHBondContact O-N 3.15Å; R165-N167 PolarHBondContact O-N 3.02Å; N167-I169 VanDerWaalsContact C-N 3.27Å; N167-I169 HydrophobicContact CB-CG1 4.49Å; N167-I169 PolarHBondContact O-N 2.56Å
168G97.5Very high98.2Very high47 Ų4740 Ų4049%0.48521%0.212SC..THydrogen-bonded Turntrans73.310.8178.200000115.3C164 R165 R166 L170 P171C164-G168 PolarHBondContact O-N 3.46Å; R165-G168 PolarHBondContact O-N 3.19Å; R166-G168 VanDerWaalsContact C-N 3.32Å; G168-L170 VanDerWaalsContact C-N 3.35Å; G168-P171 WeakPolarHBondContact O-CD 3.25Å
169I98.3Very high98.2Very high70 Ų7040.2 Ų40.236%0.35921%0.213SC..SBendtrans-66.2-42.3173-62.8173000109.6C164 N167 P171 Y222C164-I169 HydrophobicContact CB-CB 4.09Å; C164-I169 HydrophobicContact CB-CG2 4.4Å; C164-I169 PolarHBondContact O-N 2.9Å; N167-I169 VanDerWaalsContact C-N 3.27Å; N167-I169 HydrophobicContact CB-CG1 4.49Å; N167-I169 PolarHBondContact O-N 2.56Å; I169-P171 WeakPolarHBondContact O-CD 3.32Å; I169-Y222 HydrophobicContact CG2-CD1 4.05Å; I169-Y222 HydrophobicContact CG2-CD2 4.34Å; I169-Y222 HydrophobicContact CG2-CG 3.96Å
170L98.4Very high98.2Very high0 Ų038.1 Ų38.10%021%0.205CC..SBendtrans-11874.4175.5-58.6-178.5000109.1L161 C164 G168 W172 A173 D218 Y222 V223L161-L170 HydrophobicContact CD2-CD1 4.33Å; C164-L170 HydrophobicContact CB-CB 4.11Å; C164-L170 HydrophobicContact CB-CD1 3.72Å; C164-L170 HydrophobicContact CB-CG 3.7Å; C164-L170 PolarHBondContact O-N 3.36Å; C164-L170 VanDerWaalsContact O-N 3.1Å; G168-L170 VanDerWaalsContact C-N 3.35Å; L170-W172 HydrophobicContact CB-CZ2 4.2Å; L170-W172 HydrophobicContact CD1-CH2 4.36Å; L170-W172 HydrophobicContact CD1-CZ2 4.02Å; L170-W172 HydrophobicContact CD2-CZ2 3.85Å; L170-W172 HydrophobicContact CG-CZ2 4.23Å; L170-W172 PolarHBondContact O-N 3.46Å; L170-A173 HydrophobicContact CB-CB 4.09Å; L170-A173 WeakPolarHBondContact O-CB 3.37Å; L170-A173 PolarHBondContact O-N 2.75Å; L170-A173 VanDerWaalsContact O-N 3.12Å; L170-D218 HydrophobicContact CD2-CB 3.56Å; L170-Y222 HydrophobicContact CD2-CD2 3.95Å; L170-V223 HydrophobicContact CD1-CG2 4.03Å
171P97.1Very high98.2Very high104 Ų10435.6 Ų35.668%0.67520%0.195SC*.THydrogen-bonded Turntrans-66.7-20.1-173.628.9-35.3000112.8G168 I169 A173G168-P171 WeakPolarHBondContact O-CD 3.25Å; I169-P171 WeakPolarHBondContact O-CD 3.32Å; P171-A173 VanDerWaalsContact C-N 3.32Å
172W97.4Very high98.2Very high13 Ų1335.9 Ų35.95%0.04920%0.198CC..THydrogen-bonded Turntrans-77.3-14.1177.455.7-105.4000113.7L170 T204 H206 D207 V210 V215 D218 L219L170-W172 HydrophobicContact CB-CZ2 4.2Å; L170-W172 HydrophobicContact CD1-CH2 4.36Å; L170-W172 HydrophobicContact CD1-CZ2 4.02Å; L170-W172 HydrophobicContact CD2-CZ2 3.85Å; L170-W172 HydrophobicContact CG-CZ2 4.23Å; L170-W172 PolarHBondContact O-N 3.46Å; W172-T204 HydrophobicContact CH2-CG2 3.94Å; W172-T204 HydrophobicContact CZ3-CG2 3.7Å; W172-H206 HydrophobicContact CE3-CB 3.56Å; W172-H206 HydrophobicContact CZ3-CB 3.92Å; W172-H206 CarbonylContact O-C 3.53Å; W172-H206 VanDerWaalsContact O-CA 3.27Å; W172-H206 WeakPolarHBondContact O-CA 3.19Å; W172-D207 WeakPolarHBondContact CA-OD2 3.17Å; W172-D207 WeakPolarHBondContact CB-OD2 3.46Å; W172-D207 PolarHBondContact O-N 3.1Å; W172-V210 HydrophobicContact CB-CB 3.83Å; W172-V210 HydrophobicContact CB-CG1 3.88Å; W172-V210 HydrophobicContact CB-CG2 4.15Å; W172-V210 HydrophobicContact CD2-CG1 4.29Å; W172-V210 HydrophobicContact CD2-CG2 4.27Å; W172-V210 HydrophobicContact CE3-CG1 4.39Å; W172-V210 HydrophobicContact CG-CB 4.04Å; W172-V210 HydrophobicContact CG-CG1 4.09Å; W172-V210 HydrophobicContact CG-CG2 3.81Å; W172-V215 HydrophobicContact CD2-CG2 4.28Å; W172-V215 HydrophobicContact CE3-CG2 4.09Å; W172-V215 HydrophobicContact CH2-CB 4.29Å; W172-V215 HydrophobicContact CH2-CG1 3.77Å; W172-V215 HydrophobicContact CH2-CG2 4.17Å; W172-V215 HydrophobicContact CZ2-CB 4.44Å; W172-V215 HydrophobicContact CZ2-CG1 4.36Å; W172-V215 HydrophobicContact CZ2-CG2 4.29Å; W172-V215 HydrophobicContact CZ3-CG1 4.05Å; W172-V215 HydrophobicContact CZ3-CG2 4.06Å; W172-D218 HydrophobicContact CZ2-CB 3.81Å; W172-D218 PolarHBondContact NE1-OD2 2.92Å; W172-L219 HydrophobicContact CH2-CD2 4.22Å; W172-L219 HydrophobicContact CH2-CG 4.36Å
173A97.9Very high98.2Very high11 Ų1135.6 Ų35.69%0.09120%0.195CC..EExtended strand (participates in β ladder)trans-76.2131.5-170.800000112.4R165 L170 P171R165-A173 HydrophobicContact CB-CB 4.12Å; R165-A173 WeakPolarHBondContact CD-O 3.45Å; R165-A173 HydrophobicContact CG-CB 4.33Å; R165-A173 WeakPolarHBondContact CG-O 3.44Å; L170-A173 HydrophobicContact CB-CB 4.09Å; L170-A173 WeakPolarHBondContact O-CB 3.37Å; L170-A173 PolarHBondContact O-N 2.75Å; L170-A173 VanDerWaalsContact O-N 3.12Å; P171-A173 VanDerWaalsContact C-N 3.32Å
174G97.4Very high98.2Very high9 Ų935.3 Ų35.39%0.09319%0.19CC..EExtended strand (participates in β ladder)trans-83.1169.6169.600000112.9R165 Q205R165-G174 WeakPolarHBondContact CD-O 3.44Å; G174-Q205 PolarHBondContact N-O 3.44Å
175P98.1Very high98.1Very high3 Ų335.3 Ų35.32%0.01919%0.19CC..EExtended strand (participates in β ladder)trans-71.6-28.7178.8-20.835.1000114.8G25 I87 Y89G25-P175 VanDerWaalsContact CA-O 3.27Å; G25-P175 WeakPolarHBondContact CA-O 3.35Å; G25-P175 PolarHBondContact N-O 3.14Å; G25-P175 VanDerWaalsContact N-O 3.1Å; I87-P175 HydrophobicContact CG2-CB 3.88Å; Y89-P175 HydrophobicContact CD1-CG 3.91Å; Y89-P175 HydrophobicContact CE1-CB 4.04Å; Y89-P175 HydrophobicContact CE1-CG 3.76Å; Y89-P175 HydrophobicContact CE2-CB 4.1Å; Y89-P175 HydrophobicContact CE2-CG 4.5Å; Y89-P175 HydrophobicContact CG-CG 4.3Å
176D98.6Very high97.9Very high5 Ų535.4 Ų35.43%0.02719%0.193CC..EExtended strand (participates in β ladder)trans-77.1124.7-179-169.12.3000111.8H26 Y89 Q205 G251H26-D176 WeakPolarHBondContact CA-OD1 3.31Å; H26-D176 IonicContact CD2-OD1 3.4Å; Y89-D176 WeakPolarHBondContact OH-CB 3.44Å; D176-Q205 HydrophobicContact CB-CB 4.03Å; D176-Q205 WeakPolarHBondContact O-CB 3.49Å; D176-Q205 PolarHBondContact O-N 2.97Å; D176-G251 PolarHBondContact OD2-N 2.85Å
177S98.8Very high97.7Very high6 Ų633.7 Ų33.74%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-153149179.746.10000112V22 G23 N158 S203V22-S177 CarbonylContact C-O 3.56Å; V22-S177 VanDerWaalsContact CA-O 3.29Å; V22-S177 WeakPolarHBondContact CA-O 3.46Å; V22-S177 WeakPolarHBondContact CB-O 3.27Å; G23-S177 WeakPolarHBondContact CA-OG 3.39Å; G23-S177 PolarHBondContact N-O 3.08Å; N158-S177 PolarHBondContact OD1-OG 2.74Å; S177-S203 CarbonylContact C-O 3.56Å; S177-S203 WeakPolarHBondContact CA-O 3.39Å
178K98.9Very high97.5Very high77 Ų7730.2 Ų30.234%0.33517%0.174SC..EExtended strand (participates in β ladder)trans-134.7138174.4-46.7-175.698.71720108.8V22 H26 S203V22-K178 HydrophobicContact CG1-CB 4.25Å; V22-K178 HydrophobicContact CG1-CG 3.96Å; H26-K178 WeakPolarHBondContact NE2-CE 3.27Å; K178-S203 PolarHBondContact N-O 2.83Å; K178-S203 PolarHBondContact O-N 2.73Å
179T98.9Very high97.3Very high3 Ų336 Ų362%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-132.4145.6175.767.70000109.9E20 S21 S154 L157 N158 L161 V201 I202E20-T179 CarbonylContact C-O 3.55Å; E20-T179 VanDerWaalsContact CA-O 3.26Å; E20-T179 WeakPolarHBondContact CA-O 3.31Å; S21-T179 PolarHBondContact N-O 3.43Å; S21-T179 PolarHBondContact O-N 3.16Å; S21-T179 VanDerWaalsContact O-O 3.11Å; S154-T179 PolarHBondContact O-OG1 3.18Å; L157-T179 HydrophobicContact CB-CG2 3.72Å; N158-T179 WeakPolarHBondContact ND2-CG2 3.41Å; N158-T179 PolarHBondContact ND2-OG1 3.19Å; L161-T179 HydrophobicContact CD1-CG2 4.28Å; T179-V201 CarbonylContact C-O 3.55Å; T179-V201 WeakPolarHBondContact CA-O 3.23Å; T179-I202 HydrophobicContact CG2-CG1 4.19Å; T179-I202 HydrophobicContact CG2-CG2 4.35Å
180Q98.9Very high97.2Very high72 Ų7233.3 Ų33.334%0.33618%0.177SC..EExtended strand (participates in β ladder)trans-138.7132175.8-171.9-177.5-81.700109.5T18 S19 E20 V201T18-Q180 VanDerWaalsContact CG2-CD 3.45Å; T18-Q180 HydrophobicContact CG2-CG 3.26Å; S19-Q180 WeakPolarHBondContact O-CA 3.27Å; S19-Q180 WeakPolarHBondContact O-CG 3.49Å; E20-Q180 HydrophobicContact CB-CB 4.23Å; E20-Q180 HydrophobicContact CB-CG 4.18Å; Q180-V201 HydrophobicContact CB-CB 3.99Å; Q180-V201 HydrophobicContact CB-CG2 4.18Å; Q180-V201 PolarHBondContact N-O 2.89Å; Q180-V201 PolarHBondContact O-N 2.9Å
181V98.9Very high97.1Very high0 Ų033.3 Ų33.30%018%0.177CC..EExtended strand (participates in β ladder)trans-122.8122.7-178.8-177.90000109.3T18 S19 L153 S154 L157 V183 V197T18-V181 WeakPolarHBondContact CA-O 3.31Å; S19-V181 PolarHBondContact N-O 3.22Å; S19-V181 VanDerWaalsContact N-O 3.12Å; S19-V181 PolarHBondContact O-N 3.43Å; L153-V181 HydrophobicContact CB-CG1 4.34Å; L153-V181 HydrophobicContact CB-CG2 4.16Å; L153-V181 HydrophobicContact CD1-CG1 4.22Å; S154-V181 WeakPolarHBondContact OG-CG2 3.42Å; S154-V181 PolarHBondContact OG-N 2.97Å; L157-V181 HydrophobicContact CD1-CG2 3.64Å; V181-V183 HydrophobicContact CG1-CG2 3.99Å; V181-V197 HydrophobicContact CG1-CG1 4.13Å; V181-V197 HydrophobicContact CG1-CG2 4.34Å
182T98.7Very high97.1Very high12 Ų1228.5 Ų28.57%0.07415%0.146CC..EExtended strand (participates in β ladder)trans-101.1123.2169.9-53.40000109L16 F17 T18 H198 T199L16-T182 HydrophobicContact CB-CG2 4Å; L16-T182 HydrophobicContact CD1-CG2 4.48Å; L16-T182 HydrophobicContact CD2-CG2 4.43Å; F17-T182 CarbonylContact O-C 3.5Å; F17-T182 VanDerWaalsContact O-CA 3.27Å; F17-T182 WeakPolarHBondContact O-CA 3.21Å; T18-T182 WeakPolarHBondContact CG2-OG1 3.42Å; T18-T182 WeakPolarHBondContact OG1-CB 3.3Å; T18-T182 WeakPolarHBondContact OG1-CG2 3.46Å; T18-T182 PolarHBondContact OG1-OG1 3.03Å; T182-H198 HydrophobicContact CG2-CB 4.14Å; T182-H198 PolarHBondContact O-N 2.85Å; T182-T199 PolarHBondContact N-O 2.87Å; T182-T199 PolarHBondContact O-N 3.05Å; T182-T199 VanDerWaalsContact O-N 3.17Å
183V98.4Very high97Very high0 Ų034 Ų340%017%0.167CC..EExtended strand (participates in β ladder)trans-112.4141176.2173.30000109F17 T150 V181 Y185 P194 V197F17-V183 PolarHBondContact N-O 3.32Å; F17-V183 PolarHBondContact O-N 3.36Å; T150-V183 HydrophobicContact CG2-CB 3.69Å; T150-V183 HydrophobicContact CG2-CG2 3.64Å; V181-V183 HydrophobicContact CG1-CG2 3.99Å; V183-Y185 HydrophobicContact CB-CD2 4.01Å; V183-Y185 HydrophobicContact CB-CE2 3.45Å; V183-Y185 VanDerWaalsContact CB-CE2 3.45Å; V183-Y185 HydrophobicContact CG1-CD2 3.75Å; V183-Y185 HydrophobicContact CG1-CE1 4.42Å; V183-Y185 HydrophobicContact CG1-CE2 3.43Å; V183-Y185 VanDerWaalsContact CG1-CE2 3.43Å; V183-Y185 HydrophobicContact CG1-CG 4.36Å; V183-Y185 WeakPolarHBondContact O-CD2 3.34Å; V183-P194 HydrophobicContact CG1-CB 3.99Å; V183-V197 HydrophobicContact CG2-CG2 4.16Å
184E97.4Very high97Very high44 Ų4434.8 Ų34.821%0.20617%0.171CC..EExtended strand (participates in β ladder)trans-86.4125.6166.8-174.4177.9-179.500109F15 L16 L195 R196F15-E184 WeakPolarHBondContact O-CA 3.38Å; L16-E184 HydrophobicContact CD2-CB 3.74Å; L16-E184 HydrophobicContact CD2-CG 4.06Å; E184-L195 HydrophobicContact CG-CD1 4.48Å; E184-L195 WeakPolarHBondContact O-CB 3.41Å; E184-L195 PolarHBondContact O-N 2.87Å; E184-R196 HydrophobicContact CB-CG 4.07Å; E184-R196 PolarHBondContact N-O 3.47Å; E184-R196 WeakPolarHBondContact OE2-CD 3.43Å; E184-R196 IonicContact OE2-NH1 3.88Å
185Y96.8Very high97Very high0 Ų037.4 Ų37.40%018%0.183CC..EExtended strand (participates in β ladder)trans-115.3151.1-178.4-75.8-95000110.6T14 F15 F17 E142 T150 V183 C192 R193 P194 W271T14-Y185 CarbonylContact C-O 3.52Å; T14-Y185 WeakPolarHBondContact CA-O 3.43Å; T14-Y185 WeakPolarHBondContact CB-O 3.39Å; F15-Y185 HydrophobicContact CE2-CD2 4.33Å; F15-Y185 HydrophobicContact CE2-CG 4.3Å; F15-Y185 VanDerWaalsContact CZ-CB 3.46Å; F15-Y185 HydrophobicContact CZ-CG 4.05Å; F15-Y185 PolarHBondContact N-O 2.75Å; F15-Y185 PolarHBondContact O-N 3.41Å; F17-Y185 HydrophobicContact CB-CD2 4.13Å; F17-Y185 HydrophobicContact CB-CE2 4.05Å; E142-Y185 VanDerWaalsContact OE1-CE1 3.28Å; E142-Y185 WeakPolarHBondContact OE1-CE1 3.49Å; E142-Y185 PolarHBondContact OE1-OH 3.04Å; T150-Y185 HydrophobicContact CG2-CE2 3.84Å; V183-Y185 HydrophobicContact CB-CD2 4.01Å; V183-Y185 HydrophobicContact CB-CE2 3.45Å; V183-Y185 VanDerWaalsContact CB-CE2 3.45Å; V183-Y185 HydrophobicContact CG1-CD2 3.75Å; V183-Y185 HydrophobicContact CG1-CE1 4.42Å; V183-Y185 HydrophobicContact CG1-CE2 3.43Å; V183-Y185 VanDerWaalsContact CG1-CE2 3.43Å; V183-Y185 HydrophobicContact CG1-CG 4.36Å; V183-Y185 WeakPolarHBondContact O-CD2 3.34Å; Y185-C192 HydrophobicContact CD1-CB 3.75Å; Y185-C192 HydrophobicContact CE1-CB 4.11Å; Y185-R193 CarbonylContact C-O 3.59Å; Y185-R193 WeakPolarHBondContact CA-O 3.44Å; Y185-P194 HydrophobicContact CD1-CB 4.39Å; Y185-P194 HydrophobicContact CD1-CG 4.13Å; Y185-P194 HydrophobicContact CE1-CB 4.11Å; Y185-P194 HydrophobicContact CE1-CG 3.56Å; Y185-W271 HydrophobicContact CD2-CH2 4.34Å; Y185-W271 HydrophobicContact CD2-CZ2 4.12Å; Y185-W271 HydrophobicContact CE1-CH2 4.42Å; Y185-W271 HydrophobicContact CE1-CZ2 4.21Å; Y185-W271 HydrophobicContact CE2-CH2 4.21Å; Y185-W271 AromaticContact CE2-CZ2 3.58Å; Y185-W271 HydrophobicContact CE2-CZ2 3.58Å; Y185-W271 AromaticContact CZ-CZ2 3.65Å
186L94.7Very high96.9Very high43 Ų4338.6 Ų38.623%0.22519%0.187CC..EExtended strand (participates in β ladder)trans-95.7133.5158.8-179.368.7000109.2D13 T14 D188 R193 L195D13-L186 HydrophobicContact CB-CD1 4.22Å; T14-L186 HydrophobicContact CG2-CD1 4.12Å; L186-D188 PolarHBondContact O-N 3.4Å; L186-R193 HydrophobicContact CB-CB 4.48Å; L186-R193 PolarHBondContact N-O 2.72Å; L186-R193 PolarHBondContact O-N 2.88Å; L186-L195 HydrophobicContact CB-CD1 4.13Å; L186-L195 HydrophobicContact CB-CD2 4.12Å; L186-L195 HydrophobicContact CB-CG 4.22Å
187N93.8Very high96.9Very high72 Ų7238.3 Ų38.339%0.38519%0.185SC..EExtended strand (participates in β ladder)trans-75.2117.7164-175.9-9.3000109.2D13 F15 G190D13-N187 HydrophobicContact CB-CB 4.19Å; D13-N187 PolarHBondContact O-N 3.1Å; F15-N187 HydrophobicContact CE1-CB 4.2Å; N187-G190 PolarHBondContact OD1-N 3.2Å
188D93.8Very high96.9Very high44 Ų4439.3 Ų39.324%0.23519%0.189CC..EExtended strand (participates in β ladder)trans-116.678.3-178.3177.724000108.7L186 G190 A191 R309L186-D188 PolarHBondContact O-N 3.4Å; D188-G190 VanDerWaalsContact C-N 3.32Å; D188-G190 PolarHBondContact O-N 3.08Å; D188-A191 PolarHBondContact N-O 2.96Å; D188-A191 WeakPolarHBondContact O-CB 3.5Å; D188-A191 PolarHBondContact O-N 3.1Å; D188-R309 IonicContact OD1-NH1 2.82Å; D188-R309 IonicContact OD2-CZ 3.41Å; D188-R309 IonicContact OD2-NH1 2.73Å; D188-R309 PolarHBondContact OD2-NH1 2.56Å; D188-R309 IonicContact OD2-NH2 3.17Å; D188-R309 PolarHBondContact OD2-NH2 2.92Å
189H93.2Very high96.9Very high168 Ų16836.4 Ų36.478%0.77818%0.178SC*.THydrogen-bonded Turntrans51.546.9-179.2-56.7-72.4000113.5A191H189-A191 VanDerWaalsContact C-N 3.34Å
190G94.6Very high96.9Very high13 Ų1336.3 Ų36.313%0.13418%0.177CC..THydrogen-bonded Turntrans94.2-23.3-179.600000114.4N187 D188 R310 Y332 T334N187-G190 PolarHBondContact OD1-N 3.2Å; D188-G190 VanDerWaalsContact C-N 3.32Å; D188-G190 PolarHBondContact O-N 3.08Å; G190-R310 WeakPolarHBondContact O-CD 3.37Å; G190-R310 PolarHBondContact O-NH1 3.43Å; G190-Y332 WeakPolarHBondContact CA-O 3.33Å; G190-T334 VanDerWaalsContact C-CG2 3.41Å
191A96.9Very high96.9Very high0 Ų034.2 Ų34.20%017%0.17CC..EExtended strand (participates in β ladder)trans-77.3157.3168.400000110.3D188 H189 R309 T334D188-A191 PolarHBondContact N-O 2.96Å; D188-A191 WeakPolarHBondContact O-CB 3.5Å; D188-A191 PolarHBondContact O-N 3.1Å; H189-A191 VanDerWaalsContact C-N 3.34Å; A191-R309 HydrophobicContact CB-CB 4.12Å; A191-R309 VanDerWaalsContact CB-CZ 3.47Å; A191-T334 HydrophobicContact CB-CG2 4.08Å; A191-T334 VanDerWaalsContact N-CG2 3.32Å
192C96.1Very high96.9Very high3 Ų334.2 Ų34.22%0.0217%0.17CC..EExtended strand (participates in β ladder)trans-115.7115.7-179.6-62.30000109.1F15 Y185 W271 R310F15-C192 HydrophobicContact CZ-CB 4.4Å; Y185-C192 HydrophobicContact CD1-CB 3.75Å; Y185-C192 HydrophobicContact CE1-CB 4.11Å; C192-W271 HydrophobicContact CB-CH2 4.14Å; C192-W271 HydrophobicContact CB-CZ3 4.34Å; C192-R310 PolarHBondContact SG-NH1 2.89Å
193R96.4Very high96.9Very high129 Ų12935 Ų3549%0.48718%0.175SC..EExtended strand (participates in β ladder)trans-104.2113.2178.7-173.217467.2154.40.1110.5Y185 L186 L195Y185-R193 CarbonylContact C-O 3.59Å; Y185-R193 WeakPolarHBondContact CA-O 3.44Å; L186-R193 HydrophobicContact CB-CB 4.48Å; L186-R193 PolarHBondContact N-O 2.72Å; L186-R193 PolarHBondContact O-N 2.88Å; R193-L195 PolarHBondContact O-N 3.06Å
194P97.6Very high96.9Very high28 Ų2835 Ų3518%0.18218%0.176CC..EExtended strand (participates in β ladder)trans-58.9135.1173.6-20.329000111.4E142 L149 V183 Y185E142-P194 HydrophobicContact CB-CG 4.09Å; L149-P194 HydrophobicContact CB-CG 4.05Å; L149-P194 HydrophobicContact CD2-CB 3.51Å; L149-P194 HydrophobicContact CD2-CG 3.7Å; V183-P194 HydrophobicContact CG1-CB 3.99Å; Y185-P194 HydrophobicContact CD1-CB 4.39Å; Y185-P194 HydrophobicContact CD1-CG 4.13Å; Y185-P194 HydrophobicContact CE1-CB 4.11Å; Y185-P194 HydrophobicContact CE1-CG 3.56Å
195L96.8Very high96.9Very high63 Ų6333.1 Ų33.133%0.3317%0.167SC..EExtended strand (participates in β ladder)trans-106.2-52.7174.9-60-178.9000111.3T14 E184 L186 R193T14-L195 HydrophobicContact CG2-CD1 3.73Å; E184-L195 HydrophobicContact CG-CD1 4.48Å; E184-L195 WeakPolarHBondContact O-CB 3.41Å; E184-L195 PolarHBondContact O-N 2.87Å; L186-L195 HydrophobicContact CB-CD1 4.13Å; L186-L195 HydrophobicContact CB-CD2 4.12Å; L186-L195 HydrophobicContact CB-CG 4.22Å; R193-L195 PolarHBondContact O-N 3.06Å
196R97.9Very high97Very high28 Ų2833.8 Ų33.811%0.10617%0.17CC..EExtended strand (participates in β ladder)trans-161.1157.4-176.351.3169.7-54.2-48.3-11.6111.8E184 H198 D234 T237E184-R196 HydrophobicContact CB-CG 4.07Å; E184-R196 PolarHBondContact N-O 3.47Å; E184-R196 WeakPolarHBondContact OE2-CD 3.43Å; E184-R196 IonicContact OE2-NH1 3.88Å; R196-H198 PolarHBondContact O-N 2.94Å; R196-D234 WeakPolarHBondContact CD-OD2 3.5Å; R196-D234 IonicContact CZ-OD1 2.85Å; R196-D234 IonicContact CZ-OD2 2.64Å; R196-D234 IonicContact NE-OD1 3.25Å; R196-D234 PolarHBondContact NE-OD1 3.04Å; R196-D234 IonicContact NE-OD2 3.49Å; R196-D234 PolarHBondContact NE-OD2 3.39Å; R196-D234 IonicContact NH2-OD1 3.88Å; R196-D234 PolarHBondContact NH2-OD1 3.2Å; R196-D234 IonicContact NH2-OD2 2.71Å; R196-T237 PolarHBondContact NH2-OG1 3.34Å
197V98.6Very high97Very high0 Ų034.6 Ų34.60%017%0.174CC..EExtended strand (participates in β ladder)trans-80.6113.7172.5171.10000109.5L153 V181 V183 V200 I228 L232 L233 T237L153-V197 HydrophobicContact CD1-CG2 3.96Å; V181-V197 HydrophobicContact CG1-CG1 4.13Å; V181-V197 HydrophobicContact CG1-CG2 4.34Å; V183-V197 HydrophobicContact CG2-CG2 4.16Å; V197-V200 HydrophobicContact CG1-CG2 3.46Å; V197-V200 VanDerWaalsContact CG1-CG2 3.46Å; V197-I228 HydrophobicContact CG1-CD1 4.41Å; V197-I228 HydrophobicContact CG2-CG2 3.89Å; V197-L232 HydrophobicContact CG2-CB 4.18Å; V197-L232 PolarHBondContact N-O 3.08Å; V197-L233 HydrophobicContact CB-CD2 4.17Å; V197-L233 HydrophobicContact CG1-CD2 4.37Å; V197-T237 HydrophobicContact CG1-CG2 4.16Å; V197-T237 WeakPolarHBondContact O-CG2 3.36Å; V197-T237 PolarHBondContact O-OG1 2.93Å
198H97.9Very high97.1Very high27 Ų2736.8 Ų36.813%0.12518%0.182CC..EExtended strand (participates in β ladder)trans-78.2-48178.5175-79.8000113L16 T182 R196 K238L16-H198 HydrophobicContact CD2-CB 3.94Å; T182-H198 HydrophobicContact CG2-CB 4.14Å; T182-H198 PolarHBondContact O-N 2.85Å; R196-H198 PolarHBondContact O-N 2.94Å; H198-K238 PolarHBondContact CE1-NZ 2.82Å; H198-K238 PolarHBondContact NE2-NZ 3.49Å; H198-K238 PolarHBondContact O-N 2.93Å
199T98.7Very high97.2Very high16 Ų1642 Ų4210%0.09821%0.205CC..EExtended strand (participates in β ladder)trans-139.8138.5-178.8-55.90000110.7T182 V201 K238T182-T199 PolarHBondContact N-O 2.87Å; T182-T199 PolarHBondContact O-N 3.05Å; T182-T199 VanDerWaalsContact O-N 3.17Å; T199-V201 HydrophobicContact CG2-CG2 4.16Å; T199-K238 CarbonylContact C-O 3.44Å; T199-K238 WeakPolarHBondContact CA-O 3.36Å; T199-K238 HydrophobicContact CG2-CB 4.28Å
200V98.8Very high97.4Very high0 Ų035.1 Ų35.10%018%0.175CC..EExtended strand (participates in β ladder)trans-119.4127.9165.9-173.70000108.8L157 V197 I202 I224 I228 K238 Y239 H240L157-V200 HydrophobicContact CD1-CG1 3.91Å; V197-V200 HydrophobicContact CG1-CG2 3.46Å; V197-V200 VanDerWaalsContact CG1-CG2 3.46Å; V200-I202 HydrophobicContact CG1-CD1 4.44Å; V200-I202 HydrophobicContact CG1-CG1 4.12Å; V200-I224 HydrophobicContact CB-CD1 4.26Å; V200-I224 HydrophobicContact CG1-CD1 3.75Å; V200-I224 HydrophobicContact CG1-CG1 4.19Å; V200-I228 HydrophobicContact CG2-CD1 3.66Å; V200-K238 PolarHBondContact N-O 3.23Å; V200-Y239 HydrophobicContact CB-CD1 4.2Å; V200-Y239 HydrophobicContact CG2-CD1 4.45Å; V200-Y239 HydrophobicContact CG2-CE1 4.38Å; V200-H240 PolarHBondContact O-N 2.78Å
201V98.9Very high97.6Very high29 Ų2938.2 Ų38.218%0.17619%0.191CC..EExtended strand (participates in β ladder)trans-113.1132.2170.2-170.50000108.3T179 Q180 T199 H240 P243T179-V201 CarbonylContact C-O 3.55Å; T179-V201 WeakPolarHBondContact CA-O 3.23Å; Q180-V201 HydrophobicContact CB-CB 3.99Å; Q180-V201 HydrophobicContact CB-CG2 4.18Å; Q180-V201 PolarHBondContact N-O 2.89Å; Q180-V201 PolarHBondContact O-N 2.9Å; T199-V201 HydrophobicContact CG2-CG2 4.16Å; V201-H240 WeakPolarHBondContact CA-O 3.37Å; V201-H240 HydrophobicContact CB-CB 4.41Å; V201-H240 HydrophobicContact CG1-CB 4.18Å; V201-H240 HydrophobicContact CG2-CB 4.14Å; V201-P243 HydrophobicContact CG1-CG 4.22Å
202I98.9Very high97.7Very high0 Ų040.2 Ų40.20%020%0.201CC..EExtended strand (participates in β ladder)trans-133.1124168.6-56-176.4000107.9L157 L161 T179 V200 L219 V223 I224 H240 L241 N242L157-I202 HydrophobicContact CD2-CD1 4.29Å; L161-I202 HydrophobicContact CD1-CG2 3.87Å; T179-I202 HydrophobicContact CG2-CG1 4.19Å; T179-I202 HydrophobicContact CG2-CG2 4.35Å; V200-I202 HydrophobicContact CG1-CD1 4.44Å; V200-I202 HydrophobicContact CG1-CG1 4.12Å; I202-L219 HydrophobicContact CB-CD1 4.25Å; I202-L219 HydrophobicContact CG2-CD1 3.96Å; I202-L219 HydrophobicContact CG2-CD2 3.92Å; I202-V223 HydrophobicContact CD1-CG1 4.19Å; I202-I224 HydrophobicContact CD1-CD1 3.86Å; I202-I224 HydrophobicContact CD1-CG1 3.67Å; I202-H240 PolarHBondContact N-O 2.77Å; I202-L241 HydrophobicContact CB-CD2 4.18Å; I202-L241 HydrophobicContact CD1-CD2 4.33Å; I202-L241 HydrophobicContact CG1-CD2 4.18Å; I202-N242 PolarHBondContact O-N 2.88Å; I202-N242 PolarHBondContact O-OD1 3.09Å
203S98.8Very high97.8Very high28 Ų2846.3 Ų46.320%0.19623%0.23CC..EExtended strand (participates in β ladder)trans-119.9114.6167.4-66.80000107.5S177 K178 N242S177-S203 CarbonylContact C-O 3.56Å; S177-S203 WeakPolarHBondContact CA-O 3.39Å; K178-S203 PolarHBondContact N-O 2.83Å; K178-S203 PolarHBondContact O-N 2.73Å; S203-N242 WeakPolarHBondContact CA-OD1 3.35Å
204T98.6Very high97.8Very high1 Ų144.8 Ų44.81%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-124.5139.6177.8-174.50000110.2W172 L219 N242W172-T204 HydrophobicContact CH2-CG2 3.94Å; W172-T204 HydrophobicContact CZ3-CG2 3.7Å; T204-L219 HydrophobicContact CG2-CD1 4.21Å; T204-L219 HydrophobicContact CG2-CD2 4.03Å; T204-N242 PolarHBondContact N-OD1 3.14Å; T204-N242 PolarHBondContact O-ND2 2.8Å; T204-N242 VanDerWaalsContact O-ND2 3.11Å
205Q98.2Very high97.9Very high4 Ų443.5 Ų43.52%0.01922%0.218CC..EExtended strand (participates in β ladder)trans-59.1142.6168.2-175.8-174.419.400109.2K94 G174 D176 F247 V248K94-Q205 PolarHBondContact O-NE2 3.19Å; G174-Q205 PolarHBondContact N-O 3.44Å; D176-Q205 HydrophobicContact CB-CB 4.03Å; D176-Q205 WeakPolarHBondContact O-CB 3.49Å; D176-Q205 PolarHBondContact O-N 2.97Å; Q205-F247 VanDerWaalsContact CA-O 3.24Å; Q205-F247 WeakPolarHBondContact CA-O 3.39Å; Q205-V248 PolarHBondContact NE2-O 3.46Å
206H98Very high98Very high13 Ų1345.3 Ų45.36%0.0622%0.22CC..EExtended strand (participates in β ladder)trans-144.8159.4-179.961.986.5000112.1W172 V210 V215 N242 F247 V248W172-H206 HydrophobicContact CE3-CB 3.56Å; W172-H206 HydrophobicContact CZ3-CB 3.92Å; W172-H206 CarbonylContact O-C 3.53Å; W172-H206 VanDerWaalsContact O-CA 3.27Å; W172-H206 WeakPolarHBondContact O-CA 3.19Å; H206-V210 HydrophobicContact CB-CG1 3.9Å; H206-V215 HydrophobicContact CB-CG2 4.41Å; H206-N242 PolarHBondContact CD2-ND2 2.83Å; H206-N242 VanDerWaalsContact CD2-ND2 3.27Å; H206-F247 PolarHBondContact N-O 3.05Å; H206-F247 PolarHBondContact NE2-N 3.39Å; H206-V248 WeakPolarHBondContact O-CA 3.26Å
207D95.5Very high98Very high61 Ų6146.5 Ų46.533%0.32624%0.236SC..  trans-62.7165.8172.67539.8000112.2W172 H209 V210W172-D207 WeakPolarHBondContact CA-OD2 3.17Å; W172-D207 WeakPolarHBondContact CB-OD2 3.46Å; W172-D207 PolarHBondContact O-N 3.1Å; D207-H209 VanDerWaalsContact C-N 3.31Å; D207-H209 PolarHBondContact O-N 3.41Å; D207-H209 PolarHBondContact OD1-N 3.01Å; D207-V210 WeakPolarHBondContact OD1-CB 3.28Å; D207-V210 WeakPolarHBondContact OD1-CG1 3.36Å; D207-V210 PolarHBondContact OD1-N 3.44Å
208E95.4Very high98Very high117 Ų11746.8 Ų46.855%0.54724%0.238SC..SBendtrans-78.6-12.1-177.564.2174.8-16800114.9V248E208-V248 HydrophobicContact CB-CG1 4.17Å; E208-V248 HydrophobicContact CB-CG2 4.31Å
209H96Very high98.1Very high153 Ų15345.5 Ų45.571%0.70823%0.232SC*.SBendtrans-99.6-23.4-170.9-58.5-49.8000113D207D207-H209 VanDerWaalsContact C-N 3.31Å; D207-H209 PolarHBondContact O-N 3.41Å; D207-H209 PolarHBondContact OD1-N 3.01Å
210V97.8Very high98.1Very high25 Ų2547.4 Ų47.415%0.15224%0.241CC..SBendtrans-71.4135.9177.170.40000110.9W172 H206 D207 K214 V215W172-V210 HydrophobicContact CB-CB 3.83Å; W172-V210 HydrophobicContact CB-CG1 3.88Å; W172-V210 HydrophobicContact CB-CG2 4.15Å; W172-V210 HydrophobicContact CD2-CG1 4.29Å; W172-V210 HydrophobicContact CD2-CG2 4.27Å; W172-V210 HydrophobicContact CE3-CG1 4.39Å; W172-V210 HydrophobicContact CG-CB 4.04Å; W172-V210 HydrophobicContact CG-CG1 4.09Å; W172-V210 HydrophobicContact CG-CG2 3.81Å; H206-V210 HydrophobicContact CB-CG1 3.9Å; D207-V210 WeakPolarHBondContact OD1-CB 3.28Å; D207-V210 WeakPolarHBondContact OD1-CG1 3.36Å; D207-V210 PolarHBondContact OD1-N 3.44Å; V210-K214 HydrophobicContact CG2-CB 3.98Å; V210-K214 HydrophobicContact CG2-CG 3.95Å; V210-V215 HydrophobicContact CB-CG2 4.3Å; V210-V215 HydrophobicContact CG1-CG2 3.53Å; V210-V215 HydrophobicContact CG2-CG2 3.77Å
211T98Very high98.1Very high77 Ų7751.5 Ų51.547%0.47226%0.26SS..  trans-76.6149.5175.668.40000111.2E213 K214 V215T211-E213 WeakPolarHBondContact CB-OE2 3.39Å; T211-E213 PolarHBondContact O-N 3.09Å; T211-K214 PolarHBondContact O-N 3.24Å; T211-K214 VanDerWaalsContact O-N 3.12Å; T211-K214 WeakPolarHBondContact OG1-CB 3.23Å; T211-K214 PolarHBondContact OG1-N 3.35Å; T211-V215 WeakPolarHBondContact O-CG2 3.35Å; T211-V215 PolarHBondContact O-N 3.22Å
212L98.1Very high98Very high42 Ų4254.6 Ų54.622%0.2227%0.269CS..Hα-helixtrans-61.8-34.8178.1-178.957.5000111.7K214 V215 R216 N242 G245L212-K214 VanDerWaalsContact C-N 3.35Å; L212-V215 PolarHBondContact O-N 3.15Å; L212-R216 HydrophobicContact CD1-CG 4.24Å; L212-R216 HydrophobicContact CG-CG 4.47Å; L212-R216 WeakPolarHBondContact O-CB 3.25Å; L212-R216 WeakPolarHBondContact O-CG 3.5Å; L212-R216 PolarHBondContact O-N 2.82Å; L212-N242 HydrophobicContact CD1-CB 3.76Å; L212-G245 WeakPolarHBondContact CD1-O 3.32Å
213E98.3Very high98Very high131 Ų13154.6 Ų54.661%0.61227%0.269SS*.Hα-helixtrans-60.3-44.9174.7-64.170.8-153.300111T211 R216 A217T211-E213 WeakPolarHBondContact CB-OE2 3.39Å; T211-E213 PolarHBondContact O-N 3.09Å; E213-R216 PolarHBondContact O-N 2.86Å; E213-A217 WeakPolarHBondContact O-CB 3.29Å; E213-A217 PolarHBondContact O-N 3.01Å
214K98.3Very high98Very high98 Ų9853.2 Ų53.243%0.42626%0.26SS..Hα-helixtrans-65.6-45.9177.5-177.161.3162.979.50111.2V210 T211 L212 R216 A217 D218V210-K214 HydrophobicContact CG2-CB 3.98Å; V210-K214 HydrophobicContact CG2-CG 3.95Å; T211-K214 PolarHBondContact O-N 3.24Å; T211-K214 VanDerWaalsContact O-N 3.12Å; T211-K214 WeakPolarHBondContact OG1-CB 3.23Å; T211-K214 PolarHBondContact OG1-N 3.35Å; L212-K214 VanDerWaalsContact C-N 3.35Å; K214-R216 VanDerWaalsContact C-N 3.33Å; K214-R216 PolarHBondContact O-N 2.99Å; K214-A217 PolarHBondContact O-N 3.12Å; K214-D218 IonicContact NZ-OD1 3.69Å; K214-D218 PolarHBondContact NZ-OD1 3.26Å; K214-D218 IonicContact NZ-OD2 3.11Å; K214-D218 PolarHBondContact NZ-OD2 3.26Å; K214-D218 VanDerWaalsContact O-CB 3.27Å; K214-D218 WeakPolarHBondContact O-CB 3.5Å; K214-D218 VanDerWaalsContact O-CG 3.23Å; K214-D218 PolarHBondContact O-N 2.95Å
215V98.6Very high98Very high0 Ų058.7 Ų58.70%028%0.284CS..Hα-helixtrans-55-49.7175.2171.40000110.3W172 H206 V210 T211 L212 A217 D218 L219 N242W172-V215 HydrophobicContact CD2-CG2 4.28Å; W172-V215 HydrophobicContact CE3-CG2 4.09Å; W172-V215 HydrophobicContact CH2-CB 4.29Å; W172-V215 HydrophobicContact CH2-CG1 3.77Å; W172-V215 HydrophobicContact CH2-CG2 4.17Å; W172-V215 HydrophobicContact CZ2-CB 4.44Å; W172-V215 HydrophobicContact CZ2-CG1 4.36Å; W172-V215 HydrophobicContact CZ2-CG2 4.29Å; W172-V215 HydrophobicContact CZ3-CG1 4.05Å; W172-V215 HydrophobicContact CZ3-CG2 4.06Å; H206-V215 HydrophobicContact CB-CG2 4.41Å; V210-V215 HydrophobicContact CB-CG2 4.3Å; V210-V215 HydrophobicContact CG1-CG2 3.53Å; V210-V215 HydrophobicContact CG2-CG2 3.77Å; T211-V215 WeakPolarHBondContact O-CG2 3.35Å; T211-V215 PolarHBondContact O-N 3.22Å; L212-V215 PolarHBondContact O-N 3.15Å; V215-A217 PolarHBondContact O-N 2.85Å; V215-D218 PolarHBondContact O-N 2.87Å; V215-L219 HydrophobicContact CG1-CD1 3.83Å; V215-L219 HydrophobicContact CG1-CG 4.24Å; V215-L219 WeakPolarHBondContact O-CB 3.41Å; V215-L219 WeakPolarHBondContact O-CG 3.37Å; V215-L219 PolarHBondContact O-N 3.21Å; V215-N242 HydrophobicContact CG1-CB 4.41Å
216R98.7Very high98.1Very high101 Ų10164.2 Ų64.238%0.38131%0.31SS..Hα-helixtrans-63.1-44-179.2-71.2175.9170.1159.1-0.5112.8L212 E213 K214 L220 L241L212-R216 HydrophobicContact CD1-CG 4.24Å; L212-R216 HydrophobicContact CG-CG 4.47Å; L212-R216 WeakPolarHBondContact O-CB 3.25Å; L212-R216 WeakPolarHBondContact O-CG 3.5Å; L212-R216 PolarHBondContact O-N 2.82Å; E213-R216 PolarHBondContact O-N 2.86Å; K214-R216 VanDerWaalsContact C-N 3.33Å; K214-R216 PolarHBondContact O-N 2.99Å; R216-L220 PolarHBondContact O-N 2.95Å; R216-L220 VanDerWaalsContact O-N 3.15Å; R216-L241 HydrophobicContact CB-CB 4.33Å; R216-L241 HydrophobicContact CG-CB 3.93Å; R216-L241 WeakPolarHBondContact CG-O 3.31Å; R216-L241 PolarHBondContact NE-O 3.09Å; R216-L241 WeakPolarHBondContact O-CD1 3.48Å
217A98.6Very high98.1Very high53 Ų5365 Ų6544%0.43832%0.315SS..Hα-helixtrans-62.4-45.1177.400000111.5E213 K214 V215 L220 E221E213-A217 WeakPolarHBondContact O-CB 3.29Å; E213-A217 PolarHBondContact O-N 3.01Å; K214-A217 PolarHBondContact O-N 3.12Å; V215-A217 PolarHBondContact O-N 2.85Å; A217-L220 PolarHBondContact O-N 3.36Å; A217-E221 WeakPolarHBondContact O-CB 3.36Å; A217-E221 PolarHBondContact O-N 3.49Å
218D98.7Very high98.2Very high7 Ų762.2 Ų62.24%0.03730%0.3CS..Hα-helixtrans-65.1-42.6179.8-79.3-4.7000113L170 W172 K214 V215 L220 E221 Y222L170-D218 HydrophobicContact CD2-CB 3.56Å; W172-D218 HydrophobicContact CZ2-CB 3.81Å; W172-D218 PolarHBondContact NE1-OD2 2.92Å; K214-D218 IonicContact NZ-OD1 3.69Å; K214-D218 PolarHBondContact NZ-OD1 3.26Å; K214-D218 IonicContact NZ-OD2 3.11Å; K214-D218 PolarHBondContact NZ-OD2 3.26Å; K214-D218 VanDerWaalsContact O-CB 3.27Å; K214-D218 WeakPolarHBondContact O-CB 3.5Å; K214-D218 VanDerWaalsContact O-CG 3.23Å; K214-D218 PolarHBondContact O-N 2.95Å; V215-D218 PolarHBondContact O-N 2.87Å; D218-L220 VanDerWaalsContact C-N 3.3Å; D218-L220 PolarHBondContact O-N 3.36Å; D218-E221 PolarHBondContact O-N 3.45Å; D218-Y222 HydrophobicContact CB-CD2 4.11Å; D218-Y222 WeakPolarHBondContact O-CB 3.5Å; D218-Y222 PolarHBondContact O-N 2.69Å; D218-Y222 WeakPolarHBondContact OD1-CE2 3.29Å
219L98.8Very high98.4Very high0 Ų059.5 Ų59.50%029%0.293CS..Iπ-helixtrans-61.5-40.4176-72.8178.6000111.4L161 W172 I202 T204 V215 V223 I224 L241L161-L219 HydrophobicContact CD2-CD2 3.53Å; W172-L219 HydrophobicContact CH2-CD2 4.22Å; W172-L219 HydrophobicContact CH2-CG 4.36Å; I202-L219 HydrophobicContact CB-CD1 4.25Å; I202-L219 HydrophobicContact CG2-CD1 3.96Å; I202-L219 HydrophobicContact CG2-CD2 3.92Å; T204-L219 HydrophobicContact CG2-CD1 4.21Å; T204-L219 HydrophobicContact CG2-CD2 4.03Å; V215-L219 HydrophobicContact CG1-CD1 3.83Å; V215-L219 HydrophobicContact CG1-CG 4.24Å; V215-L219 WeakPolarHBondContact O-CB 3.41Å; V215-L219 WeakPolarHBondContact O-CG 3.37Å; V215-L219 PolarHBondContact O-N 3.21Å; L219-V223 HydrophobicContact CD2-CG2 4.14Å; L219-V223 VanDerWaalsContact O-CB 3.28Å; L219-V223 WeakPolarHBondContact O-CB 3.3Å; L219-V223 PolarHBondContact O-N 3.44Å; L219-I224 PolarHBondContact O-N 2.68Å; L219-L241 HydrophobicContact CB-CD1 4.19Å; L219-L241 HydrophobicContact CD1-CB 4.13Å
220L98.6Very high98.5Very high55 Ų5556.2 Ų56.229%0.28829%0.292SS..Iπ-helixtrans-67-49.3177.3-176.162000111.2R216 A217 D218 I224 K225 Y239 L241R216-L220 PolarHBondContact O-N 2.95Å; R216-L220 VanDerWaalsContact O-N 3.15Å; A217-L220 PolarHBondContact O-N 3.36Å; D218-L220 VanDerWaalsContact C-N 3.3Å; D218-L220 PolarHBondContact O-N 3.36Å; L220-I224 HydrophobicContact CD1-CB 4.36Å; L220-I224 HydrophobicContact CD1-CD1 4.4Å; L220-I224 HydrophobicContact CD1-CG2 4.28Å; L220-K225 WeakPolarHBondContact O-CG 3.39Å; L220-K225 PolarHBondContact O-N 3.36Å; L220-K225 VanDerWaalsContact O-N 3.12Å; L220-Y239 HydrophobicContact CD1-CD1 4.18Å; L220-Y239 HydrophobicContact CD1-CE1 4.03Å; L220-L241 HydrophobicContact CB-CD1 4.06Å
221E98.6Very high98.5Very high86 Ų8661.5 Ų61.540%0.40232%0.32SS..Iπ-helixtrans-73.4-55.2-173.2-173.162-163.900112.8A217 D218 K225A217-E221 WeakPolarHBondContact O-CB 3.36Å; A217-E221 PolarHBondContact O-N 3.49Å; D218-E221 PolarHBondContact O-N 3.45Å; E221-K225 WeakPolarHBondContact OE2-CD 3.43Å; E221-K225 IonicContact OE2-NZ 3.97Å; E221-K225 PolarHBondContact OE2-NZ 3.23Å
222Y98.7Very high98.5Very high94 Ų9458.8 Ų58.837%0.36930%0.302SS..Iπ-helixtrans-92.5-10.9-169-58-65.4000114R160 I169 L170 D218 E226R160-Y222 PolarHBondContact NE-O 2.99Å; R160-Y222 PolarHBondContact NH2-O 3.24Å; I169-Y222 HydrophobicContact CG2-CD1 4.05Å; I169-Y222 HydrophobicContact CG2-CD2 4.34Å; I169-Y222 HydrophobicContact CG2-CG 3.96Å; L170-Y222 HydrophobicContact CD2-CD2 3.95Å; D218-Y222 HydrophobicContact CB-CD2 4.11Å; D218-Y222 WeakPolarHBondContact O-CB 3.5Å; D218-Y222 PolarHBondContact O-N 2.69Å; D218-Y222 WeakPolarHBondContact OD1-CE2 3.29Å; Y222-E226 WeakPolarHBondContact O-CG 3.45Å
223V98.8Very high98.5Very high0 Ų058.4 Ų58.40%030%0.3CS..Iπ-helixtrans-117-59.8-177.9-171.60000111.3L157 R160 L161 L170 I202 L219 V227L157-V223 HydrophobicContact CB-CG1 4.43Å; L157-V223 HydrophobicContact CD2-CG1 3.88Å; R160-V223 HydrophobicContact CB-CG1 4.22Å; R160-V223 HydrophobicContact CG-CB 4.37Å; R160-V223 HydrophobicContact CG-CG1 4.12Å; L161-V223 HydrophobicContact CD2-CG1 4.41Å; L161-V223 HydrophobicContact CD2-CG2 3.72Å; L161-V223 HydrophobicContact CG-CG1 3.89Å; L161-V223 HydrophobicContact CG-CG2 4.05Å; L170-V223 HydrophobicContact CD1-CG2 4.03Å; I202-V223 HydrophobicContact CD1-CG1 4.19Å; L219-V223 HydrophobicContact CD2-CG2 4.14Å; L219-V223 VanDerWaalsContact O-CB 3.28Å; L219-V223 WeakPolarHBondContact O-CB 3.3Å; L219-V223 PolarHBondContact O-N 3.44Å; V223-V227 WeakPolarHBondContact O-CB 3.35Å; V223-V227 VanDerWaalsContact O-CG2 3.3Å; V223-V227 WeakPolarHBondContact O-CG2 3.43Å; V223-V227 PolarHBondContact O-N 3.13Å
224I98.8Very high98.5Very high0 Ų054.7 Ų54.70%028%0.284CS..Iπ-helixtrans-69.3-54.1-173.1-69.7178.1000111.8L157 V200 I202 L219 L220 E226 V227 I228 L233 Y239 L241L157-I224 HydrophobicContact CD2-CG1 4.06Å; V200-I224 HydrophobicContact CB-CD1 4.26Å; V200-I224 HydrophobicContact CG1-CD1 3.75Å; V200-I224 HydrophobicContact CG1-CG1 4.19Å; I202-I224 HydrophobicContact CD1-CD1 3.86Å; I202-I224 HydrophobicContact CD1-CG1 3.67Å; L219-I224 PolarHBondContact O-N 2.68Å; L220-I224 HydrophobicContact CD1-CB 4.36Å; L220-I224 HydrophobicContact CD1-CD1 4.4Å; L220-I224 HydrophobicContact CD1-CG2 4.28Å; I224-E226 PolarHBondContact O-N 2.83Å; I224-V227 PolarHBondContact O-N 3.35Å; I224-V227 VanDerWaalsContact O-N 3.15Å; I224-I228 HydrophobicContact CG2-CD1 4.13Å; I224-I228 HydrophobicContact CG2-CG1 4.49Å; I224-I228 PolarHBondContact O-N 3.12Å; I224-L233 HydrophobicContact CG2-CD1 4.27Å; I224-Y239 HydrophobicContact CD1-CD1 3.8Å; I224-Y239 HydrophobicContact CD1-CE1 4.19Å; I224-Y239 HydrophobicContact CG2-CE1 3.91Å; I224-L241 HydrophobicContact CD1-CD1 4.4Å; I224-L241 HydrophobicContact CD1-CD2 3.55Å
225K98.5Very high98.4Very high115 Ų11557.8 Ų57.850%0.530%0.3SS..Hα-helixtrans-63.7-27.7-178.1-71.5179.8-174.7172.40113.1L220 E221L220-K225 WeakPolarHBondContact O-CG 3.39Å; L220-K225 PolarHBondContact O-N 3.36Å; L220-K225 VanDerWaalsContact O-N 3.12Å; E221-K225 WeakPolarHBondContact OE2-CD 3.43Å; E221-K225 IonicContact OE2-NZ 3.97Å; E221-K225 PolarHBondContact OE2-NZ 3.23Å
226E98.5Very high98.3Very high121 Ų12164.6 Ų64.657%0.56533%0.33SS*.Hα-helixtrans-77.3-25.6178.2-68.9-78.2117.300112.9R160 Y222 I224R160-E226 IonicContact CZ-OE2 2.64Å; R160-E226 IonicContact NH1-OE2 2.66Å; R160-E226 IonicContact NH2-OE2 3.55Å; R160-E226 PolarHBondContact NH2-OE2 3.31Å; Y222-E226 WeakPolarHBondContact O-CG 3.45Å; I224-E226 PolarHBondContact O-N 2.83Å
227V98.7Very high98.3Very high29 Ų2960.3 Ų60.318%0.17632%0.315CS..Hα-helixtrans-104.3-43.2-174.7168.10000112.5L153 A156 L157 R160 V223 I224 P229L153-V227 HydrophobicContact CD2-CG1 4.4Å; A156-V227 HydrophobicContact CB-CG1 3.43Å; A156-V227 VanDerWaalsContact CB-CG1 3.43Å; A156-V227 HydrophobicContact CB-CG2 4.49Å; L157-V227 HydrophobicContact CD2-CB 3.92Å; L157-V227 HydrophobicContact CD2-CG1 3.98Å; L157-V227 HydrophobicContact CD2-CG2 4.36Å; L157-V227 HydrophobicContact CG-CG1 4.06Å; R160-V227 HydrophobicContact CB-CG2 3.55Å; R160-V227 HydrophobicContact CG-CG2 3.91Å; V223-V227 WeakPolarHBondContact O-CB 3.35Å; V223-V227 VanDerWaalsContact O-CG2 3.3Å; V223-V227 WeakPolarHBondContact O-CG2 3.43Å; V223-V227 PolarHBondContact O-N 3.13Å; I224-V227 PolarHBondContact O-N 3.35Å; I224-V227 VanDerWaalsContact O-N 3.15Å; V227-P229 WeakPolarHBondContact O-CD 3.42Å
228I98.7Very high98.3Very high2 Ų261.4 Ų61.41%0.0131%0.31CS..SBendtrans-92.3119.7-174.2-53.3-173.7000108.8L153 L157 V197 V200 I224 A230 L232 L233L153-I228 HydrophobicContact CD1-CG2 4.42Å; L153-I228 HydrophobicContact CD2-CG1 4.39Å; L157-I228 HydrophobicContact CD2-CG1 4.45Å; V197-I228 HydrophobicContact CG1-CD1 4.41Å; V197-I228 HydrophobicContact CG2-CG2 3.89Å; V200-I228 HydrophobicContact CG2-CD1 3.66Å; I224-I228 HydrophobicContact CG2-CD1 4.13Å; I224-I228 HydrophobicContact CG2-CG1 4.49Å; I224-I228 PolarHBondContact O-N 3.12Å; I228-A230 PolarHBondContact O-N 3.12Å; I228-L232 HydrophobicContact CG2-CB 4.22Å; I228-L233 HydrophobicContact CB-CD1 4.19Å; I228-L233 HydrophobicContact CB-CD2 4.25Å; I228-L233 HydrophobicContact CB-CG 4.31Å; I228-L233 HydrophobicContact CD1-CD2 4.35Å; I228-L233 HydrophobicContact CG2-CD1 4.23Å; I228-L233 HydrophobicContact CG2-CD2 3.67Å; I228-L233 HydrophobicContact CG2-CG 3.79Å
229P98.2Very high98.3Very high61 Ų6165.1 Ų65.140%0.39632%0.324SS..  trans-51132.7175.3-28.434.7000112.3V227 N231 L232V227-P229 WeakPolarHBondContact O-CD 3.42Å; P229-N231 WeakPolarHBondContact CB-OD1 3.31Å; P229-N231 PolarHBondContact O-N 3.34Å; P229-N231 VanDerWaalsContact O-N 3.11Å; P229-L232 HydrophobicContact CB-CD1 4.33Å; P229-L232 HydrophobicContact CB-CG 4.45Å; P229-L232 HydrophobicContact CG-CD1 4.23Å; P229-L232 WeakPolarHBondContact O-CB 3.41Å; P229-L232 PolarHBondContact O-N 3.41Å
230A98.1Very high98.3Very high84 Ų8469.4 Ų69.469%0.69434%0.344SS*.G310 helixtrans-58.3-30-174.400000113.3I228 L232 L233I228-A230 PolarHBondContact O-N 3.12Å; A230-L232 PolarHBondContact O-N 2.97Å; A230-L233 PolarHBondContact O-N 2.82Å; A230-L233 VanDerWaalsContact O-N 3.15Å; A230-L233 VanDerWaalsContact O-O 3.04Å
231N97.9Very high98.3Very high136 Ų13667.4 Ų67.473%0.72733%0.334SS*.G310 helixtrans-71-9.4177.367.1-58.3000114.2P229P229-N231 WeakPolarHBondContact CB-OD1 3.31Å; P229-N231 PolarHBondContact O-N 3.34Å; P229-N231 VanDerWaalsContact O-N 3.11Å
232L98.5Very high98.2Very high19 Ų1963.5 Ų63.510%0.09932%0.315CS..G310 helixtrans-98.3-6.5172.6-64.3176.2000112.7L149 V197 I228 P229 A230L149-L232 HydrophobicContact CD2-CD1 3.88Å; V197-L232 HydrophobicContact CG2-CB 4.18Å; V197-L232 PolarHBondContact N-O 3.08Å; I228-L232 HydrophobicContact CG2-CB 4.22Å; P229-L232 HydrophobicContact CB-CD1 4.33Å; P229-L232 HydrophobicContact CB-CG 4.45Å; P229-L232 HydrophobicContact CG-CD1 4.23Å; P229-L232 WeakPolarHBondContact O-CB 3.41Å; P229-L232 PolarHBondContact O-N 3.41Å; A230-L232 PolarHBondContact O-N 2.97Å
233L98.5Very high98.2Very high34 Ų3462.3 Ų62.318%0.17832%0.319CS..  trans-107.2137.1179.2-60.6177.9000109.5V197 I224 I228 A230 T237 Y239V197-L233 HydrophobicContact CB-CD2 4.17Å; V197-L233 HydrophobicContact CG1-CD2 4.37Å; I224-L233 HydrophobicContact CG2-CD1 4.27Å; I228-L233 HydrophobicContact CB-CD1 4.19Å; I228-L233 HydrophobicContact CB-CD2 4.25Å; I228-L233 HydrophobicContact CB-CG 4.31Å; I228-L233 HydrophobicContact CD1-CD2 4.35Å; I228-L233 HydrophobicContact CG2-CD1 4.23Å; I228-L233 HydrophobicContact CG2-CD2 3.67Å; I228-L233 HydrophobicContact CG2-CG 3.79Å; A230-L233 PolarHBondContact O-N 2.82Å; A230-L233 VanDerWaalsContact O-N 3.15Å; A230-L233 VanDerWaalsContact O-O 3.04Å; L233-T237 HydrophobicContact CD2-CG2 4.03Å; L233-Y239 HydrophobicContact CD2-CE1 4.49Å
234D97.4Very high98.1Very high53 Ų5366.5 Ų66.528%0.28335%0.354SS..  trans-143.9-176.9175.76817.9000111.5R196 K236 T237R196-D234 WeakPolarHBondContact CD-OD2 3.5Å; R196-D234 IonicContact CZ-OD1 2.85Å; R196-D234 IonicContact CZ-OD2 2.64Å; R196-D234 IonicContact NE-OD1 3.25Å; R196-D234 PolarHBondContact NE-OD1 3.04Å; R196-D234 IonicContact NE-OD2 3.49Å; R196-D234 PolarHBondContact NE-OD2 3.39Å; R196-D234 IonicContact NH2-OD1 3.88Å; R196-D234 PolarHBondContact NH2-OD1 3.2Å; R196-D234 IonicContact NH2-OD2 2.71Å; D234-K236 PolarHBondContact O-N 2.82Å; D234-K236 VanDerWaalsContact O-N 3.12Å; D234-K236 WeakPolarHBondContact OD1-CA 3.35Å; D234-K236 WeakPolarHBondContact OD1-CB 3.33Å; D234-K236 PolarHBondContact OD1-N 2.98Å; D234-T237 PolarHBondContact N-OG1 3.01Å; D234-T237 WeakPolarHBondContact O-CB 3.44Å; D234-T237 PolarHBondContact O-N 2.78Å; D234-T237 VanDerWaalsContact O-N 3.14Å; D234-T237 PolarHBondContact O-OG1 2.83Å; D234-T237 PolarHBondContact OD1-N 3.09Å; D234-T237 VanDerWaalsContact OD1-N 3.11Å
235E97.2Very high98Very high163 Ų16367.4 Ų67.476%0.76236%0.363SS*.THydrogen-bonded Turntrans-64.1-14.2-179.674.6-71166.800114
236K96.4Very high97.9Very high143 Ų14369.6 Ų69.662%0.62237%0.368SS*.THydrogen-bonded Turntrans-96.6-9.8179.1-57.4178.6-168.7172.30112.6D234 K238D234-K236 PolarHBondContact O-N 2.82Å; D234-K236 VanDerWaalsContact O-N 3.12Å; D234-K236 WeakPolarHBondContact OD1-CA 3.35Å; D234-K236 WeakPolarHBondContact OD1-CB 3.33Å; D234-K236 PolarHBondContact OD1-N 2.98Å; K236-K238 PolarHBondContact O-N 2.59Å
237T97.9Very high97.9Very high11 Ų1165.9 Ų65.97%0.06735%0.35CS..  trans-61.8127.5176.9-59.90000110.5R196 V197 L233 D234 Y239R196-T237 PolarHBondContact NH2-OG1 3.34Å; V197-T237 HydrophobicContact CG1-CG2 4.16Å; V197-T237 WeakPolarHBondContact O-CG2 3.36Å; V197-T237 PolarHBondContact O-OG1 2.93Å; L233-T237 HydrophobicContact CD2-CG2 4.03Å; D234-T237 PolarHBondContact N-OG1 3.01Å; D234-T237 WeakPolarHBondContact O-CB 3.44Å; D234-T237 PolarHBondContact O-N 2.78Å; D234-T237 VanDerWaalsContact O-N 3.14Å; D234-T237 PolarHBondContact O-OG1 2.83Å; D234-T237 PolarHBondContact OD1-N 3.09Å; D234-T237 VanDerWaalsContact OD1-N 3.11Å; T237-Y239 HydrophobicContact CG2-CD1 4.34Å; T237-Y239 HydrophobicContact CG2-CE1 3.68Å; T237-Y239 HydrophobicContact CG2-CE2 3.97Å; T237-Y239 VanDerWaalsContact CG2-CZ 3.49Å; T237-Y239 WeakPolarHBondContact O-CE2 3.33Å
238K98.3Very high97.8Very high77 Ų7765.7 Ų65.734%0.33535%0.349SS..EExtended strand (participates in β ladder)trans-93.3130.8178.9-65.2169.7-173.8154.60110.5H198 T199 V200 K236H198-K238 PolarHBondContact CE1-NZ 2.82Å; H198-K238 PolarHBondContact NE2-NZ 3.49Å; H198-K238 PolarHBondContact O-N 2.93Å; T199-K238 CarbonylContact C-O 3.44Å; T199-K238 WeakPolarHBondContact CA-O 3.36Å; T199-K238 HydrophobicContact CG2-CB 4.28Å; V200-K238 PolarHBondContact N-O 3.23Å; K236-K238 PolarHBondContact O-N 2.59Å
239Y98.6Very high97.7Very high84 Ų8470.6 Ų70.633%0.32937%0.374SS..EExtended strand (participates in β ladder)trans-115.1115.4178.3-57-77.8000110.5V200 L220 I224 L233 T237V200-Y239 HydrophobicContact CB-CD1 4.2Å; V200-Y239 HydrophobicContact CG2-CD1 4.45Å; V200-Y239 HydrophobicContact CG2-CE1 4.38Å; L220-Y239 HydrophobicContact CD1-CD1 4.18Å; L220-Y239 HydrophobicContact CD1-CE1 4.03Å; I224-Y239 HydrophobicContact CD1-CD1 3.8Å; I224-Y239 HydrophobicContact CD1-CE1 4.19Å; I224-Y239 HydrophobicContact CG2-CE1 3.91Å; L233-Y239 HydrophobicContact CD2-CE1 4.49Å; T237-Y239 HydrophobicContact CG2-CD1 4.34Å; T237-Y239 HydrophobicContact CG2-CE1 3.68Å; T237-Y239 HydrophobicContact CG2-CE2 3.97Å; T237-Y239 VanDerWaalsContact CG2-CZ 3.49Å; T237-Y239 WeakPolarHBondContact O-CE2 3.33Å
240H98.7Very high97.6Very high90 Ų9067.7 Ų67.742%0.41736%0.355SS..EExtended strand (participates in β ladder)trans-107.786.9171.9-66-71.4000109.1V200 V201 I202 P243V200-H240 PolarHBondContact O-N 2.78Å; V201-H240 WeakPolarHBondContact CA-O 3.37Å; V201-H240 HydrophobicContact CB-CB 4.41Å; V201-H240 HydrophobicContact CG1-CB 4.18Å; V201-H240 HydrophobicContact CG2-CB 4.14Å; I202-H240 PolarHBondContact N-O 2.77Å; H240-P243 HydrophobicContact CB-CB 4.26Å; H240-P243 HydrophobicContact CB-CG 4.36Å
241L98.7Very high97.5Very high14 Ų1463.7 Ų63.77%0.07332%0.322CS..EExtended strand (participates in β ladder)trans-103.7116.3-174.1-50.6-176.8000110.1I202 R216 L219 L220 I224I202-L241 HydrophobicContact CB-CD2 4.18Å; I202-L241 HydrophobicContact CD1-CD2 4.33Å; I202-L241 HydrophobicContact CG1-CD2 4.18Å; R216-L241 HydrophobicContact CB-CB 4.33Å; R216-L241 HydrophobicContact CG-CB 3.93Å; R216-L241 WeakPolarHBondContact CG-O 3.31Å; R216-L241 PolarHBondContact NE-O 3.09Å; R216-L241 WeakPolarHBondContact O-CD1 3.48Å; L219-L241 HydrophobicContact CB-CD1 4.19Å; L219-L241 HydrophobicContact CD1-CB 4.13Å; L220-L241 HydrophobicContact CB-CD1 4.06Å; I224-L241 HydrophobicContact CD1-CD1 4.4Å; I224-L241 HydrophobicContact CD1-CD2 3.55Å
242N98.3Very high97.5Very high3 Ų357.2 Ų57.22%0.01629%0.288CS..SBendtrans40.863.4-164.2-82.325.8000111.7I202 S203 T204 H206 L212 V215 A244 G245I202-N242 PolarHBondContact O-N 2.88Å; I202-N242 PolarHBondContact O-OD1 3.09Å; S203-N242 WeakPolarHBondContact CA-OD1 3.35Å; T204-N242 PolarHBondContact N-OD1 3.14Å; T204-N242 PolarHBondContact O-ND2 2.8Å; T204-N242 VanDerWaalsContact O-ND2 3.11Å; H206-N242 PolarHBondContact CD2-ND2 2.83Å; H206-N242 VanDerWaalsContact CD2-ND2 3.27Å; L212-N242 HydrophobicContact CD1-CB 3.76Å; V215-N242 HydrophobicContact CG1-CB 4.41Å; N242-A244 PolarHBondContact O-N 2.69Å; N242-G245 PolarHBondContact O-N 3.41Å
243P98Very high97.4Very high69 Ų6960.4 Ų60.445%0.44830%0.302SS..THydrogen-bonded Turntrans-64.6-25.4-174.326.2-34.5000113.4V201 H240 G245V201-P243 HydrophobicContact CG1-CG 4.22Å; H240-P243 HydrophobicContact CB-CB 4.26Å; H240-P243 HydrophobicContact CB-CG 4.36Å; P243-G245 PolarHBondContact O-N 2.88Å
244A96.8Very high97.3Very high88 Ų8861.2 Ų61.273%0.72731%0.311SS*.THydrogen-bonded Turntrans-72.2-5.9172.500000113.5N242 R246N242-A244 PolarHBondContact O-N 2.69Å; A244-R246 PolarHBondContact O-N 2.9Å
245G97.3Very high97.3Very high19 Ų1962.4 Ų62.420%0.19632%0.317CS..SBendtrans76.6-87-172.800000111.2L212 N242 P243L212-G245 WeakPolarHBondContact CD1-O 3.32Å; N242-G245 PolarHBondContact O-N 3.41Å; P243-G245 PolarHBondContact O-N 2.88Å
246R96.6Very high97.3Very high162 Ų16256.4 Ų56.461%0.61130%0.295SS*.  trans-95.7125.2-174.1-174.2177.1175.685.9-2.7111.4A244 V248A244-R246 PolarHBondContact O-N 2.9Å; R246-V248 HydrophobicContact CG-CG2 3.94Å; R246-V248 VanDerWaalsContact CZ-CG2 3.46Å
247F97.7Very high97.4Very high42 Ų4249.6 Ų49.618%0.18427%0.266CS..  trans-135.962173.7-166.8-168.9000111Q205 H206 I249Q205-F247 VanDerWaalsContact CA-O 3.24Å; Q205-F247 WeakPolarHBondContact CA-O 3.39Å; H206-F247 PolarHBondContact N-O 3.05Å; H206-F247 PolarHBondContact NE2-N 3.39Å; F247-I249 VanDerWaalsContact CD2-O 3.32Å; F247-I249 WeakPolarHBondContact CD2-O 3.38Å; F247-I249 VanDerWaalsContact CE2-O 3.26Å; F247-I249 WeakPolarHBondContact CE2-O 3.35Å
248V97.2Very high97.5Very high25 Ų2552.4 Ų52.415%0.15228%0.28CS..  trans-83.8-46.4179.1174.80000111.6Q205 H206 E208 R246 G250Q205-V248 PolarHBondContact NE2-O 3.46Å; H206-V248 WeakPolarHBondContact O-CA 3.26Å; E208-V248 HydrophobicContact CB-CG1 4.17Å; E208-V248 HydrophobicContact CB-CG2 4.31Å; R246-V248 HydrophobicContact CG-CG2 3.94Å; R246-V248 VanDerWaalsContact CZ-CG2 3.46Å; V248-G250 PolarHBondContact O-N 3Å
249I96Very high97.5Very high106 Ų10649.3 Ų49.354%0.54427%0.267SS..SBendtrans-78.3110.7174.9-54.3174.6000107.2F247 Q253F247-I249 VanDerWaalsContact CD2-O 3.32Å; F247-I249 WeakPolarHBondContact CD2-O 3.38Å; F247-I249 VanDerWaalsContact CE2-O 3.26Å; F247-I249 WeakPolarHBondContact CE2-O 3.35Å; I249-Q253 HydrophobicContact CG2-CB 4.31Å; I249-Q253 HydrophobicContact CG2-CG 3.92Å
250G95.8Very high97.5Very high0 Ų046 Ų460%026%0.259CS..  trans-135.2-178-177.100000112.6V248 S254V248-G250 PolarHBondContact O-N 3Å; G250-S254 VanDerWaalsContact CA-OG 3.25Å; G250-S254 WeakPolarHBondContact CA-OG 3.23Å
251G97Very high97.5Very high0 Ų049 Ų490%027%0.267CS..G310 helixtrans64.3-155.517700000113.2P27 Y89 D176 Q253 S254 D255P27-G251 VanDerWaalsContact CG-C 3.44Å; P27-G251 WeakPolarHBondContact CG-O 3.22Å; Y89-G251 WeakPolarHBondContact OH-CA 3.39Å; D176-G251 PolarHBondContact OD2-N 2.85Å; G251-Q253 PolarHBondContact O-N 2.92Å; G251-S254 PolarHBondContact N-OG 2.9Å; G251-S254 PolarHBondContact O-N 2.85Å; G251-S254 PolarHBondContact O-OG 3.5Å; G251-D255 PolarHBondContact O-N 2.84Å; G251-D255 VanDerWaalsContact O-N 3.15Å
252P97.1Very high97.5Very high0 Ų049.5 Ų49.50%027%0.268CS..G310 helixtrans-60.2-20.4-176.2-29.739.9000114.3V57 K58 S59 L96 D255V57-P252 HydrophobicContact CB-CB 4.18Å; V57-P252 HydrophobicContact CB-CG 4.06Å; V57-P252 HydrophobicContact CG2-CB 4.05Å; V57-P252 HydrophobicContact CG2-CG 3.71Å; K58-P252 CarbonylContact C-O 3.53Å; K58-P252 WeakPolarHBondContact CD-O 3.49Å; K58-P252 WeakPolarHBondContact CE-O 3.46Å; K58-P252 PolarHBondContact NZ-O 2.83Å; K58-P252 VanDerWaalsContact NZ-O 3.1Å; S59-P252 PolarHBondContact N-O 2.93Å; S59-P252 VanDerWaalsContact N-O 3.13Å; L96-P252 HydrophobicContact CD2-CG 4.12Å; P252-D255 CarbonylContact C-O 3.54Å; P252-D255 VanDerWaalsContact CA-O 3.26Å; P252-D255 WeakPolarHBondContact CA-O 3.29Å; P252-D255 VanDerWaalsContact O-O 3.1Å
253Q96.4Very high97.5Very high85 Ų8551.2 Ų51.240%0.39728%0.277SS..G310 helixtrans-63.8-46.8174-168.9179.820.500111.7K58 S59 I249 G251K58-Q253 PolarHBondContact NZ-O 3.26Å; S59-Q253 WeakPolarHBondContact OG-CA 3.25Å; S59-Q253 PolarHBondContact OG-O 2.75Å; I249-Q253 HydrophobicContact CG2-CB 4.31Å; I249-Q253 HydrophobicContact CG2-CG 3.92Å; G251-Q253 PolarHBondContact O-N 2.92Å
254S95.6Very high97.6Very high52 Ų5251.4 Ų51.436%0.36427%0.274SS..THydrogen-bonded Turntrans-79.4-42-179.651.10000112.7K58 G250 G251K58-S254 PolarHBondContact NZ-O 2.89Å; G250-S254 VanDerWaalsContact CA-OG 3.25Å; G250-S254 WeakPolarHBondContact CA-OG 3.23Å; G251-S254 PolarHBondContact N-OG 2.9Å; G251-S254 PolarHBondContact O-N 2.85Å; G251-S254 PolarHBondContact O-OG 3.5Å
255D97.6Very high97.7Very high78 Ų7847.4 Ų47.442%0.41724%0.24SC..SBendtrans-135.6147.6-170.9-169.922000111.5P27 K58 G251 P252P27-D255 HydrophobicContact CG-CB 4.23Å; K58-D255 VanDerWaalsContact NZ-C 3.3Å; G251-D255 PolarHBondContact O-N 2.84Å; G251-D255 VanDerWaalsContact O-N 3.15Å; P252-D255 CarbonylContact C-O 3.54Å; P252-D255 VanDerWaalsContact CA-O 3.26Å; P252-D255 WeakPolarHBondContact CA-O 3.29Å; P252-D255 VanDerWaalsContact O-O 3.1Å
256A98.5Very high97.8Very high37 Ų3746.5 Ų46.531%0.30623%0.231SC..  trans-78.3141.1175.600000109.4F56 V57 K58F56-A256 HydrophobicContact CE2-CB 4.09Å; F56-A256 HydrophobicContact CZ-CB 4.42Å; V57-A256 WeakPolarHBondContact O-CA 3.28Å; K58-A256 HydrophobicContact CD-CB 3.92Å
257G98.8Very high97.9Very high0 Ų039 Ų390%020%0.203CC..EExtended strand (participates in β ladder)trans-112.3144.9175.400000112.1P27 D28 C31 F56 V57P27-G257 VanDerWaalsContact CB-CA 3.46Å; D28-G257 VanDerWaalsContact OD1-CA 3.31Å; D28-G257 WeakPolarHBondContact OD1-CA 3.49Å; C31-G257 PolarHBondContact SG-O 2.82Å; F56-G257 WeakPolarHBondContact CA-O 3.33Å; F56-G257 WeakPolarHBondContact CD2-O 3.4Å; V57-G257 PolarHBondContact N-O 2.86Å; V57-G257 PolarHBondContact O-N 3.46Å
258L98.8Very high97.9Very high70 Ų7037 Ų3737%0.36619%0.194SC..EExtended strand (participates in β ladder)trans-140.3141.4174.7-79161.9000110.2D28 C31 S55 F56 R261D28-L258 PolarHBondContact OD1-N 3.08Å; C31-L258 VanDerWaalsContact CB-C 3.49Å; S55-L258 WeakPolarHBondContact O-CA 3.33Å; F56-L258 HydrophobicContact CB-CD2 3.91Å; F56-L258 HydrophobicContact CD2-CD2 3.59Å; F56-L258 HydrophobicContact CD2-CG 3.89Å; F56-L258 HydrophobicContact CG-CD2 4.25Å; L258-R261 HydrophobicContact CB-CG 3.53Å; L258-R261 HydrophobicContact CD1-CG 4.46Å; L258-R261 PolarHBondContact O-N 3.42Å
259T98.9Very high98Very high11 Ų1136 Ų367%0.06719%0.189CC..THydrogen-bonded Turntrans-55.4141.1170.2-61.10000109.9C31 S35 E54 S55 R261C31-T259 WeakPolarHBondContact CB-OG1 3.44Å; C31-T259 PolarHBondContact O-OG1 2.96Å; S35-T259 PolarHBondContact OG-OG1 2.64Å; E54-T259 VanDerWaalsContact OE2-CB 3.24Å; E54-T259 WeakPolarHBondContact OE2-CB 3.39Å; E54-T259 WeakPolarHBondContact OE2-CG2 3.32Å; S55-T259 WeakPolarHBondContact CB-OG1 3.34Å; S55-T259 PolarHBondContact N-OG1 3.33Å; S55-T259 PolarHBondContact O-N 2.91Å; S55-T259 PolarHBondContact O-OG1 3.5Å; T259-R261 VanDerWaalsContact C-N 3.33Å; T259-R261 PolarHBondContact O-N 3.24Å
260G98.6Very high98.1Very high15 Ų1533.2 Ų33.216%0.15519%0.186CC..THydrogen-bonded Turntrans7318.6174.700000115.6D32 I263 A278D32-G260 PolarHBondContact OD1-N 2.87Å; G260-I263 VanDerWaalsContact O-CG2 3.25Å; G260-I263 WeakPolarHBondContact O-CG2 3.48Å; G260-A278 VanDerWaalsContact CA-CB 3.4Å
261R98.8Very high98.3Very high152 Ų15233.7 Ų33.757%0.57419%0.188SC*.SBendtrans-96.86.8174.3-66.7-58.4-57.7-70.1-3.4114.3D28 L258 T259D28-R261 HydrophobicContact CB-CB 4.11Å; D28-R261 VanDerWaalsContact CG-CB 3.45Å; D28-R261 WeakPolarHBondContact OD2-CB 3.49Å; L258-R261 HydrophobicContact CB-CG 3.53Å; L258-R261 HydrophobicContact CD1-CG 4.46Å; L258-R261 PolarHBondContact O-N 3.42Å; T259-R261 VanDerWaalsContact C-N 3.33Å; T259-R261 PolarHBondContact O-N 3.24Å
262K98.8Very high98.3Very high26 Ų2634.8 Ų34.811%0.11320%0.199CC..  trans-12628.6179.8-70.3-70.3169.4-72.80113.1V22 H26 D28 K29 I264 V265 D266V22-K262 HydrophobicContact CG1-CD 4.3Å; V22-K262 HydrophobicContact CG2-CD 3.97Å; V22-K262 HydrophobicContact CG2-CG 4.22Å; H26-K262 WeakPolarHBondContact CE1-CE 3.24Å; D28-K262 HydrophobicContact CB-CG 3.68Å; D28-K262 IonicContact OD2-NZ 2.83Å; D28-K262 PolarHBondContact OD2-NZ 2.71Å; K29-K262 HydrophobicContact CD-CB 4.23Å; K29-K262 HydrophobicContact CD-CG 4.47Å; K262-I264 VanDerWaalsContact C-N 3.26Å; K262-I264 PolarHBondContact O-N 2.85Å; K262-I264 VanDerWaalsContact O-N 3.09Å; K262-V265 HydrophobicContact CB-CB 4.17Å; K262-V265 HydrophobicContact CD-CB 4.45Å; K262-V265 HydrophobicContact CD-CG2 3.91Å; K262-V265 CarbonylContact O-C 3.55Å; K262-V265 WeakPolarHBondContact O-CA 3.46Å; K262-V265 VanDerWaalsContact O-CB 3.28Å; K262-V265 WeakPolarHBondContact O-CB 3.31Å; K262-V265 PolarHBondContact O-N 3.37Å; K262-D266 PolarHBondContact O-N 3.28Å
263I98.8Very high98.4Very high38 Ų3836.4 Ų36.420%0.19521%0.212CC..Hα-helixtrans-56.3-31.6-175.770.2-170.6000115G260 D266 T267 A278G260-I263 VanDerWaalsContact O-CG2 3.25Å; G260-I263 WeakPolarHBondContact O-CG2 3.48Å; I263-D266 PolarHBondContact O-N 2.79Å; I263-T267 WeakPolarHBondContact O-CG2 3.27Å; I263-T267 PolarHBondContact O-N 3.16Å; I263-T267 PolarHBondContact O-OG1 2.97Å; I263-A278 HydrophobicContact CG2-CB 4.32Å
264I98.9Very high98.5Very high74 Ų7434.3 Ų34.338%0.37920%0.203SC..Hα-helixtrans-78.9-32.8176.3-57.9-57.2000111.7K262 D266 T267 G269 H274K262-I264 VanDerWaalsContact C-N 3.26Å; K262-I264 PolarHBondContact O-N 2.85Å; K262-I264 VanDerWaalsContact O-N 3.09Å; I264-D266 VanDerWaalsContact C-N 3.29Å; I264-T267 PolarHBondContact O-N 2.97Å; I264-G269 WeakPolarHBondContact O-CA 3.48Å; I264-G269 PolarHBondContact O-N 3.22Å; I264-H274 HydrophobicContact CD1-CB 3.58Å
265V98.8Very high98.7Very high3 Ų333.1 Ų33.12%0.01820%0.199CC..Hα-helixtrans-66.3-36.2169.9173.30000109.8E20 H155 K262 T267E20-V265 HydrophobicContact CG-CG2 4.15Å; H155-V265 PolarHBondContact CE1-O 3.48Å; H155-V265 PolarHBondContact NE2-O 2.74Å; K262-V265 HydrophobicContact CB-CB 4.17Å; K262-V265 HydrophobicContact CD-CB 4.45Å; K262-V265 HydrophobicContact CD-CG2 3.91Å; K262-V265 CarbonylContact O-C 3.55Å; K262-V265 WeakPolarHBondContact O-CA 3.46Å; K262-V265 VanDerWaalsContact O-CB 3.28Å; K262-V265 WeakPolarHBondContact O-CB 3.31Å; K262-V265 PolarHBondContact O-N 3.37Å; V265-T267 PolarHBondContact O-N 3.42Å
266D98.9Very high98.7Very high1 Ų131.7 Ų31.71%0.00520%0.202CC..Hα-helixtrans-70.4-21.5179.6-74.3-35.8000114.9K29 K262 I263 I264 F279 H376K29-D266 WeakPolarHBondContact CE-OD1 3.25Å; K29-D266 IonicContact NZ-OD1 3.24Å; K29-D266 PolarHBondContact NZ-OD1 2.84Å; K29-D266 IonicContact NZ-OD2 2.67Å; K29-D266 PolarHBondContact NZ-OD2 3.38Å; K262-D266 PolarHBondContact O-N 3.28Å; I263-D266 PolarHBondContact O-N 2.79Å; I264-D266 VanDerWaalsContact C-N 3.29Å; D266-F279 HydrophobicContact CB-CD2 3.98Å; D266-F279 HydrophobicContact CB-CE2 3.97Å; D266-H376 PolarHBondContact O-N 3.3Å; D266-H376 IonicContact OD1-CD2 3.96Å; D266-H376 PolarHBondContact OD1-CD2 2.89Å; D266-H376 IonicContact OD1-NE2 2.69Å
267T98.9Very high98.7Very high4 Ų430.6 Ų30.63%0.02519%0.194CC..THydrogen-bonded Turntrans-112.2-106-172.454.70000111.5M147 I263 I264 V265 H274 F279 F377M147-T267 WeakPolarHBondContact CE-O 3.45Å; I263-T267 WeakPolarHBondContact O-CG2 3.27Å; I263-T267 PolarHBondContact O-N 3.16Å; I263-T267 PolarHBondContact O-OG1 2.97Å; I264-T267 PolarHBondContact O-N 2.97Å; V265-T267 PolarHBondContact O-N 3.42Å; T267-H274 PolarHBondContact OG1-CD2 3.38Å; T267-F279 HydrophobicContact CG2-CE2 3.42Å; T267-F279 VanDerWaalsContact CG2-CE2 3.42Å; T267-F279 HydrophobicContact CG2-CZ 3.36Å; T267-F377 HydrophobicContact CG2-CD2 4.47Å; T267-F377 HydrophobicContact CG2-CE2 3.74Å
268Y98.9Very high98.7Very high1 Ų131.2 Ų31.20%0.00420%0.199CC..THydrogen-bonded Turntrans-119.313.8-163.3-46.8-65.5000112.7F136 G137 Y138 M147 G270 W271 F377F136-Y268 PolarHBondContact O-OH 2.96Å; G137-Y268 VanDerWaalsContact CA-OH 3.32Å; G137-Y268 WeakPolarHBondContact CA-OH 3.28Å; Y138-Y268 HydrophobicContact CD1-CD1 4.03Å; Y138-Y268 HydrophobicContact CD1-CG 4.16Å; Y138-Y268 HydrophobicContact CG-CD1 4.41Å; Y138-Y268 HydrophobicContact CG-CG 4.37Å; Y138-Y268 VanDerWaalsContact N-CZ 3.26Å; Y138-Y268 PolarHBondContact N-OH 2.88Å; Y138-Y268 WeakPolarHBondContact O-CE1 3.2Å; M147-Y268 HydrophobicContact CE-CD1 4.21Å; M147-Y268 HydrophobicContact SD-CD1 4.22Å; M147-Y268 HydrophobicContact SD-CE1 4.48Å; Y268-G270 VanDerWaalsContact C-N 3.26Å; Y268-G270 PolarHBondContact O-N 2.84Å; Y268-W271 WeakPolarHBondContact CB-O 3.43Å; Y268-W271 WeakPolarHBondContact O-CB 3.29Å; Y268-W271 PolarHBondContact O-N 3.37Å; Y268-F377 HydrophobicContact CD1-CD2 4.01Å; Y268-F377 AromaticContact CE1-CD2 3.32Å; Y268-F377 HydrophobicContact CE1-CD2 3.32Å; Y268-F377 AromaticContact CE1-CE2 3.72Å; Y268-F377 HydrophobicContact CE1-CE2 3.72Å; Y268-F377 HydrophobicContact CE1-CG 4.21Å; Y268-F377 HydrophobicContact CE2-CE2 4.15Å; Y268-F377 AromaticContact CZ-CD2 3.6Å; Y268-F377 AromaticContact CZ-CE2 3.45Å; Y268-F377 VanDerWaalsContact CZ-CE2 3.45Å; Y268-F377 VanDerWaalsContact OH-CE2 3.27Å; Y268-F377 WeakPolarHBondContact OH-CE2 3.47Å
269G98.7Very high98.7Very high4 Ų428.1 Ų28.14%0.04118%0.183CC..THydrogen-bonded Turntrans60.431.4173.500000114.6S19 I264S19-G269 VanDerWaalsContact CB-O 3.27Å; S19-G269 WeakPolarHBondContact CB-O 3.27Å; S19-G269 PolarHBondContact OG-O 3.19Å; I264-G269 WeakPolarHBondContact O-CA 3.48Å; I264-G269 PolarHBondContact O-N 3.22Å
270G98.4Very high98.7Very high47 Ų4727.6 Ų27.649%0.48518%0.18SC..THydrogen-bonded Turntrans98.1-13.9-178.400000114F17 Y268F17-G270 WeakPolarHBondContact CZ-O 3.42Å; Y268-G270 VanDerWaalsContact C-N 3.26Å; Y268-G270 PolarHBondContact O-N 2.84Å
271W98.7Very high98.7Very high10 Ų1026.9 Ų26.94%0.03817%0.173CC..SBendtrans-75.6163.3171.1-64.293.4000112F15 F17 Y138 P148 T150 Y185 C192 Y268 A273F15-W271 AromaticContact CE2-CH2 3.72Å; F15-W271 HydrophobicContact CE2-CH2 3.72Å; F15-W271 HydrophobicContact CE2-CZ3 4.38Å; F15-W271 AromaticContact CZ-CH2 3.93Å; F15-W271 HydrophobicContact CZ-CH2 3.93Å; F15-W271 HydrophobicContact CZ-CZ3 4.47Å; F17-W271 HydrophobicContact CB-CH2 3.97Å; F17-W271 HydrophobicContact CB-CZ2 3.42Å; F17-W271 VanDerWaalsContact CB-CZ2 3.42Å; F17-W271 AromaticContact CD1-CD1 3.75Å; F17-W271 AromaticContact CD1-CD2 3.97Å; F17-W271 HydrophobicContact CD1-CD2 3.97Å; F17-W271 AromaticContact CD1-CE2 3.23Å; F17-W271 HydrophobicContact CD1-CG 4.29Å; F17-W271 HydrophobicContact CD1-CH2 4.46Å; F17-W271 AromaticContact CD1-CZ2 3.55Å; F17-W271 HydrophobicContact CD1-CZ2 3.55Å; F17-W271 AromaticContact CD1-NE1 3.09Å; F17-W271 HydrophobicContact CD2-CD2 4.35Å; F17-W271 HydrophobicContact CD2-CE3 4.43Å; F17-W271 AromaticContact CD2-CH2 3.96Å; F17-W271 HydrophobicContact CD2-CH2 3.96Å; F17-W271 AromaticContact CD2-CZ2 3.84Å; F17-W271 HydrophobicContact CD2-CZ2 3.84Å; F17-W271 HydrophobicContact CD2-CZ3 4.24Å; F17-W271 AromaticContact CE1-CD1 3.42Å; F17-W271 VanDerWaalsContact CE1-CD1 3.42Å; F17-W271 AromaticContact CE1-CD2 3.83Å; F17-W271 HydrophobicContact CE1-CD2 3.83Å; F17-W271 AromaticContact CE1-CE2 3.57Å; F17-W271 AromaticContact CE1-CG 3.8Å; F17-W271 HydrophobicContact CE1-CG 3.8Å; F17-W271 HydrophobicContact CE1-CZ2 4.27Å; F17-W271 AromaticContact CE1-NE1 3.3Å; F17-W271 VanDerWaalsContact CE1-NE1 3.3Å; F17-W271 HydrophobicContact CE2-CD2 4.21Å; F17-W271 HydrophobicContact CE2-CE3 4.31Å; F17-W271 HydrophobicContact CE2-CZ3 4.5Å; F17-W271 HydrophobicContact CG-CD2 4.23Å; F17-W271 AromaticContact CG-CE2 3.49Å; F17-W271 VanDerWaalsContact CG-CE2 3.49Å; F17-W271 AromaticContact CG-CH2 3.87Å; F17-W271 HydrophobicContact CG-CH2 3.87Å; F17-W271 AromaticContact CG-CZ2 3.29Å; F17-W271 HydrophobicContact CG-CZ2 3.29Å; F17-W271 AromaticContact CG-NE1 3.85Å; F17-W271 AromaticContact CZ-CD2 3.95Å; F17-W271 HydrophobicContact CZ-CD2 3.95Å; F17-W271 HydrophobicContact CZ-CE3 4.44Å; F17-W271 HydrophobicContact CZ-CG 4.07Å; Y138-W271 HydrophobicContact CD1-CB 4.47Å; Y138-W271 HydrophobicContact CE1-CB 4.01Å; P148-W271 HydrophobicContact CB-CB 4.39Å; P148-W271 HydrophobicContact CB-CD2 4.31Å; P148-W271 HydrophobicContact CB-CG 3.75Å; P148-W271 HydrophobicContact CG-CB 3.66Å; P148-W271 HydrophobicContact CG-CD2 4.44Å; P148-W271 HydrophobicContact CG-CG 3.56Å; T150-W271 PolarHBondContact OG1-NE1 3.2Å; Y185-W271 HydrophobicContact CD2-CH2 4.34Å; Y185-W271 HydrophobicContact CD2-CZ2 4.12Å; Y185-W271 HydrophobicContact CE1-CH2 4.42Å; Y185-W271 HydrophobicContact CE1-CZ2 4.21Å; Y185-W271 HydrophobicContact CE2-CH2 4.21Å; Y185-W271 AromaticContact CE2-CZ2 3.58Å; Y185-W271 HydrophobicContact CE2-CZ2 3.58Å; Y185-W271 AromaticContact CZ-CZ2 3.65Å; C192-W271 HydrophobicContact CB-CH2 4.14Å; C192-W271 HydrophobicContact CB-CZ3 4.34Å; Y268-W271 WeakPolarHBondContact CB-O 3.43Å; Y268-W271 WeakPolarHBondContact O-CB 3.29Å; Y268-W271 PolarHBondContact O-N 3.37Å; W271-A273 PolarHBondContact O-N 3.48Å
272G98.5Very high98.7Very high23 Ų2320.8 Ų20.824%0.23715%0.15CC..SBendtrans63-123.2-17800000111.2
273A98.7Very high98.7Very high33 Ų3319.5 Ų19.527%0.27315%0.145SC..  trans-154.9173174.200000110F136 W271 L312F136-A273 HydrophobicContact CB-CB 4.4Å; F136-A273 WeakPolarHBondContact CB-O 3.4Å; F136-A273 HydrophobicContact CD1-CB 3.74Å; F136-A273 HydrophobicContact CD2-CB 3.81Å; F136-A273 HydrophobicContact CE1-CB 3.76Å; F136-A273 HydrophobicContact CE2-CB 3.82Å; F136-A273 HydrophobicContact CG-CB 3.74Å; F136-A273 HydrophobicContact CZ-CB 3.79Å; W271-A273 PolarHBondContact O-N 3.48Å; A273-L312 HydrophobicContact CB-CD1 4.21Å; A273-L312 HydrophobicContact CB-CD2 4.05Å
274H98.8Very high98.7Very high42 Ų4217.9 Ų17.919%0.19414%0.136CC..  trans-137.5145.5175.8-161.5-84.1000110.8F136 I264 T267 G276 G277F136-H274 VanDerWaalsContact CD2-C 3.48Å; I264-H274 HydrophobicContact CD1-CB 3.58Å; T267-H274 PolarHBondContact OG1-CD2 3.38Å; H274-G276 PolarHBondContact ND1-N 3.01Å; H274-G277 PolarHBondContact CE1-O 3.36Å
275G98.4Very high98.6Very high27 Ų2714.4 Ų14.428%0.27812%0.118SC..  trans-89-21.1-17500000115.9L134L134-G275 WeakPolarHBondContact O-CA 3.23Å
276G98.3Very high98.6Very high48 Ų4815.5 Ų15.550%0.49512%0.123SC..SBendtrans110.3-27.4177.800000113.3H274H274-G276 PolarHBondContact ND1-N 3.01Å
277G98.3Very high98.6Very high13 Ų1315.5 Ų15.513%0.13412%0.123CC..  trans-66.2128.9178.500000113.9H274 D288H274-G277 PolarHBondContact CE1-O 3.36Å; G277-D288 VanDerWaalsContact CA-CG 3.46Å
278A98.8Very high98.6Very high13 Ų1316.5 Ų16.511%0.10713%0.128CC..  trans-72.5158170.100000111.9G260 I263 K282G260-A278 VanDerWaalsContact CA-CB 3.4Å; I263-A278 HydrophobicContact CG2-CB 4.32Å; A278-K282 VanDerWaalsContact O-CD 3.32Å; A278-K282 WeakPolarHBondContact O-CD 3.3Å; A278-K282 WeakPolarHBondContact O-CE 3.35Å; A278-K282 PolarHBondContact O-NZ 2.89Å
279F98.9Very high98.6Very high5 Ų516.5 Ų16.52%0.02213%0.128CC..  trans-97.1-56.9178.4-54.6-29.9000112.5D266 T267 K282 D288 R289 A292 Y293 H376 F377D266-F279 HydrophobicContact CB-CD2 3.98Å; D266-F279 HydrophobicContact CB-CE2 3.97Å; T267-F279 HydrophobicContact CG2-CE2 3.42Å; T267-F279 VanDerWaalsContact CG2-CE2 3.42Å; T267-F279 HydrophobicContact CG2-CZ 3.36Å; F279-K282 WeakPolarHBondContact O-CB 3.23Å; F279-K282 PolarHBondContact O-N 3.47Å; F279-D288 WeakPolarHBondContact CD1-O 3.27Å; F279-D288 VanDerWaalsContact CE1-O 3.27Å; F279-D288 WeakPolarHBondContact CE1-O 3.31Å; F279-R289 VanDerWaalsContact C-CZ 3.4Å; F279-R289 HydrophobicContact CB-CB 4.49Å; F279-R289 HydrophobicContact CD1-CB 4.36Å; F279-R289 PolarHBondContact O-NE 3.26Å; F279-R289 PolarHBondContact O-NH1 3.15Å; F279-R289 PolarHBondContact O-NH2 2.81Å; F279-R289 VanDerWaalsContact O-NH2 3.09Å; F279-A292 HydrophobicContact CE1-CB 3.68Å; F279-A292 HydrophobicContact CZ-CB 3.97Å; F279-Y293 HydrophobicContact CD2-CE1 4.45Å; F279-H376 HydrophobicContact CD2-CB 4.36Å; F279-H376 AromaticContact CD2-CD2 3.71Å; F279-H376 AromaticContact CD2-CE1 3.69Å; F279-H376 AromaticContact CD2-CG 3.64Å; F279-H376 AromaticContact CD2-ND1 3.6Å; F279-H376 AromaticContact CD2-NE2 3.73Å; F279-H376 HydrophobicContact CE2-CB 4.42Å; F279-F377 HydrophobicContact CE2-CZ 4.32Å; F279-F377 HydrophobicContact CZ-CZ 4.33Å
280S98.9Very high98.6Very high1 Ų116.3 Ų16.31%0.00713%0.126CC..THydrogen-bonded Turntrans-49.6139.9-172-47.50000113.7D32 D36 K282D32-S280 VanDerWaalsContact CB-OG 3.23Å; D32-S280 WeakPolarHBondContact CB-OG 3.44Å; D32-S280 VanDerWaalsContact OD1-CB 3.28Å; D32-S280 WeakPolarHBondContact OD1-CB 3.38Å; D32-S280 PolarHBondContact OD1-OG 2.91Å; D36-S280 WeakPolarHBondContact OD1-CA 3.26Å; S280-K282 VanDerWaalsContact C-N 3.34Å; S280-K282 PolarHBondContact O-N 3.04Å
281G98.8Very high98.6Very high0 Ų014.1 Ų14.10%010%0.103CC..THydrogen-bonded Turntrans78.311.8176.400000115.4D36 V51 A52 C53D36-G281 PolarHBondContact OD1-N 3.08Å; V51-G281 CarbonylContact C-O 3.56Å; V51-G281 WeakPolarHBondContact CG1-O 3.25Å; A52-G281 CarbonylContact C-O 3.31Å; A52-G281 WeakPolarHBondContact CA-O 3.22Å; C53-G281 PolarHBondContact N-O 3.39Å; C53-G281 WeakPolarHBondContact O-CA 3.48Å
282K98.9Very high98.6Very high23 Ų2313.8 Ų13.810%0.110%0.103CC..BIsolated β-bridgetrans-119.5131.6-175.3-60.1179.6-178.4176.50112.7L39 V51 A278 F279 S280 K286 D288 R289L39-K282 VanDerWaalsContact CD2-O 3.31Å; L39-K282 WeakPolarHBondContact CD2-O 3.21Å; V51-K282 WeakPolarHBondContact O-CA 3.39Å; A278-K282 VanDerWaalsContact O-CD 3.32Å; A278-K282 WeakPolarHBondContact O-CD 3.3Å; A278-K282 WeakPolarHBondContact O-CE 3.35Å; A278-K282 PolarHBondContact O-NZ 2.89Å; F279-K282 WeakPolarHBondContact O-CB 3.23Å; F279-K282 PolarHBondContact O-N 3.47Å; S280-K282 VanDerWaalsContact C-N 3.34Å; S280-K282 PolarHBondContact O-N 3.04Å; K282-K286 HydrophobicContact CB-CB 3.84Å; K282-K286 HydrophobicContact CB-CG 4.07Å; K282-K286 HydrophobicContact CD-CB 4.08Å; K282-K286 HydrophobicContact CD-CG 4.25Å; K282-K286 HydrophobicContact CG-CB 4.37Å; K282-K286 HydrophobicContact CG-CG 4.29Å; K282-D288 HydrophobicContact CD-CB 4.46Å; K282-D288 IonicContact NZ-OD2 3.42Å; K282-D288 PolarHBondContact NZ-OD2 2.93Å; K282-R289 WeakPolarHBondContact O-CD 3.4Å; K282-R289 PolarHBondContact O-NH1 3.13Å
283D98.6Very high98.6Very high0 Ų012.7 Ų12.70%09%0.092CC..  trans-72.7171.8171.976.484.4000112.6L39 K50 V51 S285 K286L39-D283 HydrophobicContact CD1-CB 4.23Å; K50-D283 WeakPolarHBondContact CA-OD2 3.4Å; V51-D283 HydrophobicContact CB-CB 4.47Å; V51-D283 PolarHBondContact N-OD2 3.14Å; V51-D283 PolarHBondContact O-N 3.35Å; V51-D283 VanDerWaalsContact O-N 3.14Å; D283-S285 PolarHBondContact O-N 3.1Å; D283-S285 VanDerWaalsContact O-N 3.1Å; D283-S285 VanDerWaalsContact OD1-CB 3.23Å; D283-S285 WeakPolarHBondContact OD1-CB 3.49Å; D283-S285 PolarHBondContact OD1-N 3.37Å; D283-S285 PolarHBondContact OD1-OG 2.92Å; D283-S285 PolarHBondContact OD2-OG 3.27Å; D283-K286 PolarHBondContact O-N 2.83Å; D283-K286 VanDerWaalsContact O-N 3.08Å; D283-K286 IonicContact OD2-NZ 3.94Å; D283-K286 PolarHBondContact OD2-NZ 3.41Å
284Y98.3Very high98.6Very high4 Ų411.2 Ų11.22%0.0168%0.079CC..THydrogen-bonded Turntrans-60.8-22.5-173.574.1-92.7000114.9E48 I124 I127 K286 S290 V358 R364E48-Y284 PolarHBondContact OE2-OH 3.48Å; E48-Y284 VanDerWaalsContact OE2-OH 3.1Å; I124-Y284 HydrophobicContact CD1-CE2 4.04Å; I124-Y284 WeakPolarHBondContact CD1-OH 3.48Å; I127-Y284 HydrophobicContact CD1-CD2 4.23Å; I127-Y284 HydrophobicContact CD1-CE2 3.46Å; I127-Y284 VanDerWaalsContact CD1-CE2 3.46Å; Y284-K286 PolarHBondContact O-N 3.01Å; Y284-S290 WeakPolarHBondContact O-CB 3.47Å; Y284-S290 PolarHBondContact O-OG 3.38Å; Y284-V358 HydrophobicContact CD1-CB 4.5Å; Y284-V358 HydrophobicContact CD1-CG2 3.71Å; Y284-V358 HydrophobicContact CD2-CB 3.41Å; Y284-V358 VanDerWaalsContact CD2-CB 3.41Å; Y284-V358 HydrophobicContact CD2-CG1 3.85Å; Y284-V358 HydrophobicContact CD2-CG2 3.53Å; Y284-V358 HydrophobicContact CE1-CG2 4.05Å; Y284-V358 HydrophobicContact CE2-CB 3.83Å; Y284-V358 HydrophobicContact CE2-CG1 3.76Å; Y284-V358 HydrophobicContact CE2-CG2 3.84Å; Y284-V358 HydrophobicContact CG-CB 3.78Å; Y284-V358 HydrophobicContact CG-CG2 3.45Å; Y284-V358 VanDerWaalsContact CG-CG2 3.45Å; Y284-R364 HydrophobicContact CD1-CG 4.37Å; Y284-R364 HydrophobicContact CE1-CG 4.3Å; Y284-R364 PolarHBondContact OH-NH2 3.49Å
285S97.8Very high98.7Very high0 Ų09.2 Ų9.20%07%0.07CC..THydrogen-bonded Turntrans-68.8-21.1177.965.70000112.6G130 D283 V287G130-S285 VanDerWaalsContact CA-O 3.31Å; G130-S285 WeakPolarHBondContact CA-O 3.46Å; G130-S285 PolarHBondContact N-O 2.89Å; D283-S285 PolarHBondContact O-N 3.1Å; D283-S285 VanDerWaalsContact O-N 3.1Å; D283-S285 VanDerWaalsContact OD1-CB 3.23Å; D283-S285 WeakPolarHBondContact OD1-CB 3.49Å; D283-S285 PolarHBondContact OD1-N 3.37Å; D283-S285 PolarHBondContact OD1-OG 2.92Å; D283-S285 PolarHBondContact OD2-OG 3.27Å; S285-V287 PolarHBondContact O-N 3.05Å
286K98.6Very high98.7Very high26 Ų267.9 Ų7.911%0.1136%0.057CC..  trans-82102.1176.7-78.561.5174.1-176.70108.7K282 D283 Y284 D288 R289 S290K282-K286 HydrophobicContact CB-CB 3.84Å; K282-K286 HydrophobicContact CB-CG 4.07Å; K282-K286 HydrophobicContact CD-CB 4.08Å; K282-K286 HydrophobicContact CD-CG 4.25Å; K282-K286 HydrophobicContact CG-CB 4.37Å; K282-K286 HydrophobicContact CG-CG 4.29Å; D283-K286 PolarHBondContact O-N 2.83Å; D283-K286 VanDerWaalsContact O-N 3.08Å; D283-K286 IonicContact OD2-NZ 3.94Å; D283-K286 PolarHBondContact OD2-NZ 3.41Å; Y284-K286 PolarHBondContact O-N 3.01Å; K286-D288 PolarHBondContact O-N 3.31Å; K286-D288 VanDerWaalsContact O-N 3.1Å; K286-R289 PolarHBondContact O-N 2.67Å; K286-S290 PolarHBondContact O-N 2.9Å; K286-S290 PolarHBondContact O-OG 3.11Å
287V98.5Very high98.7Very high1 Ų16.6 Ų6.61%0.0064%0.037CC..Hα-helixtrans-61.4-21.6-174-70.30000113.7A129 M135 S285 R289 A291 Y317 P354A129-V287 HydrophobicContact CB-CB 4.49Å; A129-V287 HydrophobicContact CB-CG1 3.56Å; A129-V287 HydrophobicContact CB-CG2 4.1Å; M135-V287 HydrophobicContact CE-CB 4.27Å; M135-V287 HydrophobicContact CE-CG2 3.7Å; M135-V287 WeakPolarHBondContact CG-O 3.28Å; M135-V287 HydrophobicContact SD-CB 4.32Å; M135-V287 HydrophobicContact SD-CG2 4.26Å; S285-V287 PolarHBondContact O-N 3.05Å; V287-R289 PolarHBondContact O-N 3.15Å; V287-R289 VanDerWaalsContact O-N 3.13Å; V287-A291 HydrophobicContact CB-CB 4.08Å; V287-A291 WeakPolarHBondContact O-CA 3.31Å; V287-A291 WeakPolarHBondContact O-CB 3.42Å; V287-A291 PolarHBondContact O-N 3.43Å; V287-Y317 HydrophobicContact CB-CD2 4.04Å; V287-Y317 HydrophobicContact CB-CE2 4.41Å; V287-Y317 HydrophobicContact CB-CG 4.37Å; V287-Y317 HydrophobicContact CG1-CD1 4.32Å; V287-Y317 HydrophobicContact CG1-CD2 4.19Å; V287-Y317 HydrophobicContact CG1-CE2 4.45Å; V287-Y317 HydrophobicContact CG1-CG 4.13Å; V287-Y317 HydrophobicContact CG2-CD2 4.19Å; V287-Y317 HydrophobicContact CG2-CG 4.33Å; V287-P354 HydrophobicContact CG1-CB 4.35Å; V287-P354 HydrophobicContact CG1-CG 3.63Å
288D98.8Very high98.7Very high26 Ų266 Ų614%0.1393%0.03CC..Hα-helixtrans-45.4-44.1169.3-73.5-22.1000112.4M135 G277 F279 K282 K286 A292M135-D288 WeakPolarHBondContact CE-OD1 3.49Å; G277-D288 VanDerWaalsContact CA-CG 3.46Å; F279-D288 WeakPolarHBondContact CD1-O 3.27Å; F279-D288 VanDerWaalsContact CE1-O 3.27Å; F279-D288 WeakPolarHBondContact CE1-O 3.31Å; K282-D288 HydrophobicContact CD-CB 4.46Å; K282-D288 IonicContact NZ-OD2 3.42Å; K282-D288 PolarHBondContact NZ-OD2 2.93Å; K286-D288 PolarHBondContact O-N 3.31Å; K286-D288 VanDerWaalsContact O-N 3.1Å; D288-A292 WeakPolarHBondContact O-CB 3.45Å
289R98.9Very high98.7Very high0 Ų05.3 Ų5.30%03%0.025CC..Hα-helixtrans-90.6-58.3179.9168.7174.7-87.9-178.1-10.8111.6D36 F279 K282 K286 V287 A291 A292 Y293D36-R289 IonicContact OD1-CZ 3.67Å; D36-R289 VanDerWaalsContact OD1-CZ 3.28Å; D36-R289 IonicContact OD1-NH1 3.57Å; D36-R289 PolarHBondContact OD1-NH1 3.19Å; D36-R289 IonicContact OD1-NH2 3.57Å; D36-R289 PolarHBondContact OD1-NH2 2.86Å; D36-R289 IonicContact OD2-CZ 2.7Å; D36-R289 IonicContact OD2-NH2 2.85Å; D36-R289 PolarHBondContact OD2-NH2 2.88Å; F279-R289 VanDerWaalsContact C-CZ 3.4Å; F279-R289 HydrophobicContact CB-CB 4.49Å; F279-R289 HydrophobicContact CD1-CB 4.36Å; F279-R289 PolarHBondContact O-NE 3.26Å; F279-R289 PolarHBondContact O-NH1 3.15Å; F279-R289 PolarHBondContact O-NH2 2.81Å; F279-R289 VanDerWaalsContact O-NH2 3.09Å; K282-R289 WeakPolarHBondContact O-CD 3.4Å; K282-R289 PolarHBondContact O-NH1 3.13Å; K286-R289 PolarHBondContact O-N 2.67Å; V287-R289 PolarHBondContact O-N 3.15Å; V287-R289 VanDerWaalsContact O-N 3.13Å; R289-A291 PolarHBondContact O-N 3.02Å; R289-A292 PolarHBondContact O-N 3.24Å; R289-Y293 HydrophobicContact CG-CD2 4.32Å; R289-Y293 HydrophobicContact CG-CE1 4.16Å; R289-Y293 HydrophobicContact CG-CE2 3.85Å; R289-Y293 WeakPolarHBondContact O-CD1 3.33Å; R289-Y293 PolarHBondContact O-N 3.4Å
290S98.8Very high98.7Very high1 Ų15.8 Ų5.81%0.0073%0.027CC..Hα-helixtrans-66.3-41.7-169.454.50000112.3Y284 K286 Y293 A294Y284-S290 WeakPolarHBondContact O-CB 3.47Å; Y284-S290 PolarHBondContact O-OG 3.38Å; K286-S290 PolarHBondContact O-N 2.9Å; K286-S290 PolarHBondContact O-OG 3.11Å; S290-Y293 PolarHBondContact O-N 3.46Å; S290-A294 WeakPolarHBondContact O-CB 3.48Å; S290-A294 PolarHBondContact O-N 3.37Å
291A98.9Very high98.7Very high0 Ų05.8 Ų5.80%03%0.027CC..Hα-helixtrans-75.3-29.5177.700000112.5M135 V287 R289 A294 A295 L315 Y317M135-A291 HydrophobicContact CB-CB 4.36Å; M135-A291 HydrophobicContact CG-CB 4.11Å; M135-A291 HydrophobicContact SD-CB 4.08Å; V287-A291 HydrophobicContact CB-CB 4.08Å; V287-A291 WeakPolarHBondContact O-CA 3.31Å; V287-A291 WeakPolarHBondContact O-CB 3.42Å; V287-A291 PolarHBondContact O-N 3.43Å; R289-A291 PolarHBondContact O-N 3.02Å; A291-A294 PolarHBondContact O-N 3.11Å; A291-A295 VanDerWaalsContact O-CB 3.23Å; A291-A295 WeakPolarHBondContact O-CB 3.41Å; A291-A295 PolarHBondContact O-N 2.79Å; A291-L315 HydrophobicContact CB-CD1 4.18Å; A291-Y317 HydrophobicContact CB-CD2 4.3Å; A291-Y317 HydrophobicContact CB-CE2 3.43Å; A291-Y317 VanDerWaalsContact CB-CE2 3.43Å
292A98.9Very high98.7Very high4 Ų45.8 Ų5.83%0.0333%0.027CC..Hα-helixtrans-64.5-42.6170.200000111.6M135 F279 D288 R289 A295 R296M135-A292 HydrophobicContact CB-CB 4.26Å; F279-A292 HydrophobicContact CE1-CB 3.68Å; F279-A292 HydrophobicContact CZ-CB 3.97Å; D288-A292 WeakPolarHBondContact O-CB 3.45Å; R289-A292 PolarHBondContact O-N 3.24Å; A292-A295 PolarHBondContact O-N 2.96Å; A292-R296 PolarHBondContact O-N 2.9Å
293Y98.9Very high98.7Very high0 Ų05.3 Ų5.30%03%0.026CC..Hα-helixtrans-63.2-43.7174.3-68.54.4000111.5F279 R289 S290 R296 W297 L363 Y368 H376 F377 W384F279-Y293 HydrophobicContact CD2-CE1 4.45Å; R289-Y293 HydrophobicContact CG-CD2 4.32Å; R289-Y293 HydrophobicContact CG-CE1 4.16Å; R289-Y293 HydrophobicContact CG-CE2 3.85Å; R289-Y293 WeakPolarHBondContact O-CD1 3.33Å; R289-Y293 PolarHBondContact O-N 3.4Å; S290-Y293 PolarHBondContact O-N 3.46Å; Y293-R296 WeakPolarHBondContact O-CB 3.36Å; Y293-R296 PolarHBondContact O-N 3.44Å; Y293-W297 WeakPolarHBondContact O-CB 3.4Å; Y293-W297 PolarHBondContact O-N 3.16Å; Y293-L363 HydrophobicContact CD2-CD2 3.99Å; Y293-L363 HydrophobicContact CE2-CD2 4.47Å; Y293-Y368 HydrophobicContact CE2-CE1 4.27Å; Y293-H376 HydrophobicContact CE1-CB 4.1Å; Y293-H376 AromaticContact CE1-ND1 3.61Å; Y293-H376 AromaticContact CZ-ND1 3.56Å; Y293-H376 PolarHBondContact OH-CE1 2.94Å; Y293-H376 PolarHBondContact OH-ND1 2.82Å; Y293-F377 AromaticContact CD1-CE1 3.62Å; Y293-F377 HydrophobicContact CD1-CE1 3.62Å; Y293-F377 HydrophobicContact CD1-CZ 4.11Å; Y293-F377 HydrophobicContact CE1-CE1 4.09Å; Y293-W384 AromaticContact CD2-CD2 3.78Å; Y293-W384 HydrophobicContact CD2-CD2 3.78Å; Y293-W384 AromaticContact CD2-CE3 3.39Å; Y293-W384 HydrophobicContact CD2-CE3 3.39Å; Y293-W384 AromaticContact CD2-CH2 3.77Å; Y293-W384 HydrophobicContact CD2-CH2 3.77Å; Y293-W384 HydrophobicContact CD2-CZ2 4.12Å; Y293-W384 AromaticContact CD2-CZ3 3.39Å; Y293-W384 HydrophobicContact CD2-CZ3 3.39Å; Y293-W384 HydrophobicContact CE1-CZ2 4.47Å; Y293-W384 HydrophobicContact CE2-CD2 4.33Å; Y293-W384 AromaticContact CE2-CE3 3.92Å; Y293-W384 HydrophobicContact CE2-CE3 3.92Å; Y293-W384 AromaticContact CE2-CH2 3.36Å; Y293-W384 HydrophobicContact CE2-CH2 3.36Å; Y293-W384 AromaticContact CE2-CZ2 3.8Å; Y293-W384 HydrophobicContact CE2-CZ2 3.8Å; Y293-W384 AromaticContact CE2-CZ3 3.42Å; Y293-W384 HydrophobicContact CE2-CZ3 3.42Å; Y293-W384 VanDerWaalsContact CE2-CZ3 3.42Å; Y293-W384 AromaticContact CG-CD2 3.92Å; Y293-W384 HydrophobicContact CG-CD2 3.92Å; Y293-W384 AromaticContact CG-CE3 3.98Å; Y293-W384 HydrophobicContact CG-CE3 3.98Å; Y293-W384 HydrophobicContact CG-CG 4.36Å; Y293-W384 HydrophobicContact CG-CZ3 4.34Å; Y293-W384 AromaticContact CZ-CH2 3.94Å; Y293-W384 AromaticContact CZ-CZ2 3.99Å; Y293-W384 WeakPolarHBondContact O-CB 3.49Å
294A98.9Very high98.7Very high1 Ų110.4 Ų10.41%0.0085%0.048CC..Hα-helixtrans-64-41.4175.600000112.1S290 A291 R296 W297 V298 L352 I357 L361S290-A294 WeakPolarHBondContact O-CB 3.48Å; S290-A294 PolarHBondContact O-N 3.37Å; A291-A294 PolarHBondContact O-N 3.11Å; A294-R296 PolarHBondContact O-N 2.82Å; A294-W297 WeakPolarHBondContact O-CB 3.44Å; A294-W297 PolarHBondContact O-N 2.79Å; A294-V298 VanDerWaalsContact O-CG2 3.32Å; A294-V298 WeakPolarHBondContact O-CG2 3.49Å; A294-V298 PolarHBondContact O-N 3.35Å; A294-L352 HydrophobicContact CB-CD2 4.02Å; A294-I357 HydrophobicContact CB-CD1 3.69Å; A294-I357 HydrophobicContact CB-CG1 3.93Å; A294-I357 HydrophobicContact CB-CG2 4.01Å; A294-L361 HydrophobicContact CB-CD1 4.32Å
295A98.9Very high98.7Very high0 Ų012.3 Ų12.30%06%0.062CC..Hα-helixtrans-63.9-40.9176.600000111.3G137 A291 A292 W297 V298 A299 L315G137-A295 WeakPolarHBondContact CA-O 3.34Å; G137-A295 VanDerWaalsContact N-CB 3.3Å; A291-A295 VanDerWaalsContact O-CB 3.23Å; A291-A295 WeakPolarHBondContact O-CB 3.41Å; A291-A295 PolarHBondContact O-N 2.79Å; A292-A295 PolarHBondContact O-N 2.96Å; A295-W297 VanDerWaalsContact C-N 3.34Å; A295-V298 PolarHBondContact O-N 2.97Å; A295-A299 WeakPolarHBondContact O-CB 3.41Å; A295-A299 PolarHBondContact O-N 3.39Å; A295-L315 HydrophobicContact CB-CD1 3.9Å; A295-L315 HydrophobicContact CB-CG 4.18Å
296R98.9Very high98.7Very high0 Ų014 Ų140%08%0.079CC..Hα-helixtrans-58-47170.8168.460.6179.8173.62.1111.2Y138 E145 C146 M147 A292 Y293 A294 V298 A299 K300 F377 E385Y138-R296 PolarHBondContact O-NH1 2.89Å; E145-R296 PolarHBondContact O-NH2 2.92Å; C146-R296 PolarHBondContact O-NH1 3.02Å; M147-R296 VanDerWaalsContact SD-CZ 3.59Å; A292-R296 PolarHBondContact O-N 2.9Å; Y293-R296 WeakPolarHBondContact O-CB 3.36Å; Y293-R296 PolarHBondContact O-N 3.44Å; A294-R296 PolarHBondContact O-N 2.82Å; R296-V298 VanDerWaalsContact C-N 3.34Å; R296-V298 PolarHBondContact O-N 3.25Å; R296-A299 PolarHBondContact O-N 3.39Å; R296-K300 WeakPolarHBondContact O-CB 3.5Å; R296-K300 PolarHBondContact O-N 2.9Å; R296-F377 HydrophobicContact CB-CD1 3.97Å; R296-F377 HydrophobicContact CB-CE1 3.8Å; R296-F377 HydrophobicContact CB-CG 4.44Å; R296-F377 HydrophobicContact CB-CZ 4.1Å; R296-F377 HydrophobicContact CG-CB 4.34Å; R296-F377 HydrophobicContact CG-CD1 3.58Å; R296-F377 HydrophobicContact CG-CE1 3.95Å; R296-F377 HydrophobicContact CG-CG 3.9Å; R296-E385 IonicContact CZ-OE1 2.69Å; R296-E385 IonicContact CZ-OE2 2.78Å; R296-E385 IonicContact NE-OE1 2.75Å; R296-E385 PolarHBondContact NE-OE1 2.79Å; R296-E385 IonicContact NE-OE2 2.88Å; R296-E385 IonicContact NH2-OE1 2.93Å; R296-E385 PolarHBondContact NH2-OE1 2.95Å; R296-E385 IonicContact NH2-OE2 2.77Å; R296-E385 PolarHBondContact NH2-OE2 2.99Å
297W98.9Very high98.6Very high20 Ų2013.4 Ų13.48%0.0768%0.077CC..Hα-helixtrans-59.7-43.5179.2179.849000112.5Y293 A294 A295 S301 F350 E360 L361 W384 Q386 K388Y293-W297 WeakPolarHBondContact O-CB 3.4Å; Y293-W297 PolarHBondContact O-N 3.16Å; A294-W297 WeakPolarHBondContact O-CB 3.44Å; A294-W297 PolarHBondContact O-N 2.79Å; A295-W297 VanDerWaalsContact C-N 3.34Å; W297-S301 VanDerWaalsContact O-CB 3.3Å; W297-S301 WeakPolarHBondContact O-CB 3.44Å; W297-S301 PolarHBondContact O-N 2.85Å; W297-S301 PolarHBondContact O-OG 2.68Å; W297-F350 HydrophobicContact CD2-CD1 4.35Å; W297-F350 AromaticContact CD2-CE1 3.78Å; W297-F350 HydrophobicContact CD2-CE1 3.78Å; W297-F350 AromaticContact CE3-CD1 3.68Å; W297-F350 HydrophobicContact CE3-CD1 3.68Å; W297-F350 AromaticContact CE3-CE1 3.59Å; W297-F350 HydrophobicContact CE3-CE1 3.59Å; W297-F350 HydrophobicContact CH2-CD1 4.06Å; W297-F350 AromaticContact CH2-CE1 3.97Å; W297-F350 HydrophobicContact CH2-CE1 3.97Å; W297-F350 HydrophobicContact CZ2-CE1 4.13Å; W297-F350 AromaticContact CZ3-CD1 3.53Å; W297-F350 HydrophobicContact CZ3-CD1 3.53Å; W297-F350 AromaticContact CZ3-CE1 3.7Å; W297-F350 HydrophobicContact CZ3-CE1 3.7Å; W297-E360 HydrophobicContact CH2-CB 4.04Å; W297-E360 HydrophobicContact CH2-CG 4.38Å; W297-E360 WeakPolarHBondContact CH2-OE2 3.28Å; W297-E360 HydrophobicContact CZ3-CB 4.16Å; W297-L361 HydrophobicContact CD2-CD2 3.9Å; W297-L361 HydrophobicContact CE3-CD2 3.96Å; W297-L361 HydrophobicContact CG-CD2 4.19Å; W297-L361 HydrophobicContact CZ3-CD2 4.36Å; W297-W384 WeakPolarHBondContact CA-O 3.44Å; W297-W384 HydrophobicContact CB-CB 4.05Å; W297-Q386 VanDerWaalsContact CD1-O 3.25Å; W297-Q386 PolarHBondContact NE1-O 2.98Å; W297-K388 HydrophobicContact CH2-CB 4.47Å; W297-K388 HydrophobicContact CH2-CD 3.74Å; W297-K388 HydrophobicContact CH2-CG 4.48Å; W297-K388 HydrophobicContact CZ2-CB 3.67Å; W297-K388 HydrophobicContact CZ2-CD 3.77Å; W297-K388 HydrophobicContact CZ2-CG 4.01Å
298V98.9Very high98.6Very high0 Ų013.7 Ų13.70%08%0.079CC..Hα-helixtrans-60.2-54.3172.7174.30000110.5A294 A295 R296 K300 S301 L302 V313 I346 F350 L352A294-V298 VanDerWaalsContact O-CG2 3.32Å; A294-V298 WeakPolarHBondContact O-CG2 3.49Å; A294-V298 PolarHBondContact O-N 3.35Å; A295-V298 PolarHBondContact O-N 2.97Å; R296-V298 VanDerWaalsContact C-N 3.34Å; R296-V298 PolarHBondContact O-N 3.25Å; V298-K300 PolarHBondContact O-N 3.16Å; V298-S301 PolarHBondContact O-N 2.92Å; V298-L302 HydrophobicContact CG1-CD1 4.09Å; V298-L302 WeakPolarHBondContact O-CG 3.21Å; V298-L302 PolarHBondContact O-N 3.03Å; V298-V313 HydrophobicContact CG1-CG1 4.39Å; V298-V313 HydrophobicContact CG1-CG2 4.08Å; V298-I346 HydrophobicContact CG1-CB 4.46Å; V298-I346 HydrophobicContact CG1-CD1 3.91Å; V298-I346 HydrophobicContact CG1-CG1 3.72Å; V298-I346 HydrophobicContact CG1-CG2 3.96Å; V298-F350 HydrophobicContact CB-CE2 4.49Å; V298-F350 HydrophobicContact CB-CZ 4.47Å; V298-F350 HydrophobicContact CG1-CD2 4.47Å; V298-F350 HydrophobicContact CG1-CE2 4.28Å; V298-F350 HydrophobicContact CG2-CB 4.31Å; V298-F350 HydrophobicContact CG2-CD1 3.72Å; V298-F350 HydrophobicContact CG2-CD2 3.9Å; V298-F350 HydrophobicContact CG2-CE1 3.9Å; V298-F350 HydrophobicContact CG2-CE2 4.06Å; V298-F350 HydrophobicContact CG2-CG 3.71Å; V298-F350 HydrophobicContact CG2-CZ 4.06Å; V298-L352 HydrophobicContact CG2-CD2 4.24Å
299A98.9Very high98.6Very high0 Ų016.4 Ų16.40%09%0.088CC..Hα-helixtrans-57.1-47.4-177.500000111.9A139 A295 R296 S301 L302 V303 V311 V313A139-A299 VanDerWaalsContact CB-C 3.48Å; A139-A299 HydrophobicContact CB-CB 3.89Å; A139-A299 WeakPolarHBondContact CB-O 3.31Å; A295-A299 WeakPolarHBondContact O-CB 3.41Å; A295-A299 PolarHBondContact O-N 3.39Å; R296-A299 PolarHBondContact O-N 3.39Å; A299-S301 PolarHBondContact O-N 3.39Å; A299-L302 PolarHBondContact O-N 3.46Å; A299-V303 PolarHBondContact O-N 2.84Å; A299-V303 VanDerWaalsContact O-N 3.16Å; A299-V311 HydrophobicContact CB-CG1 3.85Å; A299-V311 WeakPolarHBondContact O-CG1 3.4Å; A299-V313 HydrophobicContact CB-CG2 4.14Å
300K98.9Very high98.6Very high15 Ų1518 Ų187%0.0659%0.094CC..Hα-helixtrans-63.8-40.8178.6-163.2-175.6-175.1179.20111.9A139 E145 C146 R296 V298 L302 V303 K304 E385A139-K300 HydrophobicContact CB-CB 4.5Å; E145-K300 WeakPolarHBondContact O-CE 3.34Å; C146-K300 HydrophobicContact CB-CG 4.02Å; R296-K300 WeakPolarHBondContact O-CB 3.5Å; R296-K300 PolarHBondContact O-N 2.9Å; V298-K300 PolarHBondContact O-N 3.16Å; K300-L302 VanDerWaalsContact C-N 3.34Å; K300-L302 PolarHBondContact O-N 3.12Å; K300-V303 PolarHBondContact O-N 2.72Å; K300-K304 HydrophobicContact CG-CG 4.42Å; K300-K304 WeakPolarHBondContact O-CB 3.33Å; K300-K304 PolarHBondContact O-N 3.39Å; K300-E385 VanDerWaalsContact CD-OE2 3.3Å; K300-E385 WeakPolarHBondContact CD-OE2 3.4Å; K300-E385 WeakPolarHBondContact CE-OE2 3.48Å; K300-E385 PolarHBondContact NZ-O 3.23Å; K300-E385 IonicContact NZ-OE2 3.28Å; K300-E385 PolarHBondContact NZ-OE2 2.86Å
301S98.8Very high98.6Very high1 Ų117.9 Ų17.91%0.0079%0.093CC..Hα-helixtrans-63.8-37.3177.6-58.30000112.3W297 V298 A299 S305 K388W297-S301 VanDerWaalsContact O-CB 3.3Å; W297-S301 WeakPolarHBondContact O-CB 3.44Å; W297-S301 PolarHBondContact O-N 2.85Å; W297-S301 PolarHBondContact O-OG 2.68Å; V298-S301 PolarHBondContact O-N 2.92Å; A299-S301 PolarHBondContact O-N 3.39Å; S301-S305 VanDerWaalsContact O-CB 3.26Å; S301-S305 WeakPolarHBondContact O-CB 3.32Å; S301-S305 PolarHBondContact O-N 2.93Å; S301-S305 PolarHBondContact O-OG 2.93Å; S301-K388 PolarHBondContact OG-N 3.02Å
302L98.7Very high98.6Very high0 Ų019 Ų190%010%0.099CC..Hα-helixtrans-65.6-43.2175-67170.7000112V298 A299 K300 S305 L307 V311 V313 V329 L342 I346 L390V298-L302 HydrophobicContact CG1-CD1 4.09Å; V298-L302 WeakPolarHBondContact O-CG 3.21Å; V298-L302 PolarHBondContact O-N 3.03Å; A299-L302 PolarHBondContact O-N 3.46Å; K300-L302 VanDerWaalsContact C-N 3.34Å; K300-L302 PolarHBondContact O-N 3.12Å; L302-S305 PolarHBondContact O-OG 3.25Å; L302-L307 HydrophobicContact CD2-CD1 3.81Å; L302-L307 PolarHBondContact O-N 2.86Å; L302-V311 HydrophobicContact CB-CG1 4.39Å; L302-V311 HydrophobicContact CD1-CG1 4.48Å; L302-V311 HydrophobicContact CD1-CG2 4.19Å; L302-V313 HydrophobicContact CD1-CG2 4.43Å; L302-V329 HydrophobicContact CD1-CG2 4.45Å; L302-L342 HydrophobicContact CD2-CD2 4.19Å; L302-I346 HydrophobicContact CD1-CD1 3.92Å; L302-I346 HydrophobicContact CD1-CG1 4.07Å; L302-I346 HydrophobicContact CD2-CG1 4.42Å; L302-L390 HydrophobicContact CD2-CD1 3.78Å
303V98.6Very high98.6Very high12 Ų1218.8 Ų18.87%0.07310%0.097CC..Hα-helixtrans-67.8-49.2177.2174.70000111.1A139 D141 A299 K300 S305 G306 V311A139-V303 HydrophobicContact CB-CB 4.26Å; A139-V303 HydrophobicContact CB-CG2 3.65Å; D141-V303 HydrophobicContact CB-CG1 4.08Å; A299-V303 PolarHBondContact O-N 2.84Å; A299-V303 VanDerWaalsContact O-N 3.16Å; K300-V303 PolarHBondContact O-N 2.72Å; V303-S305 VanDerWaalsContact C-N 3.26Å; V303-S305 PolarHBondContact O-N 3.25Å; V303-G306 PolarHBondContact O-N 3.21Å; V303-V311 HydrophobicContact CG2-CG1 3.97Å
304K98.1Very high98.6Very high108 Ų10821.7 Ų21.747%0.4711%0.111SC..Hα-helixtrans-67.1-21.9-179.3-74.1-62.6-166.3-173.70114.2E144 C146 K300 C387E144-K304 VanDerWaalsContact O-CE 3.29Å; E144-K304 WeakPolarHBondContact O-CE 3.46Å; E144-K304 PolarHBondContact O-NZ 3.3Å; C146-K304 WeakPolarHBondContact SG-CE 3.36Å; K300-K304 HydrophobicContact CG-CG 4.42Å; K300-K304 WeakPolarHBondContact O-CB 3.33Å; K300-K304 PolarHBondContact O-N 3.39Å; K304-C387 HydrophobicContact CB-CB 4.35Å; K304-C387 VanDerWaalsContact CG-SG 3.58Å
305S98Very high98.6Very high43 Ų4321.6 Ų21.630%0.30111%0.11SC..THydrogen-bonded Turntrans-79.4-4.2171.258.90000113.8S301 L302 V303 L307S301-S305 VanDerWaalsContact O-CB 3.26Å; S301-S305 WeakPolarHBondContact O-CB 3.32Å; S301-S305 PolarHBondContact O-N 2.93Å; S301-S305 PolarHBondContact O-OG 2.93Å; L302-S305 PolarHBondContact O-OG 3.25Å; V303-S305 VanDerWaalsContact C-N 3.26Å; V303-S305 PolarHBondContact O-N 3.25Å; S305-L307 VanDerWaalsContact C-N 3.3Å; S305-L307 PolarHBondContact O-N 3.3Å; S305-L307 WeakPolarHBondContact OG-CD1 3.38Å
306G97.5Very high98.6Very high36 Ų3622.8 Ų22.837%0.37112%0.118SC..THydrogen-bonded Turntrans74.418178.200000114.4V303 K336V303-G306 PolarHBondContact O-N 3.21Å; G306-K336 PolarHBondContact O-NZ 2.97Å
307L98.2Very high98.6Very high13 Ų1322.9 Ų22.97%0.06812%0.119CC..SBendtrans-76.2-34.4177.4-73.3173.4000112.3L302 S305 A335 K336 I337 L342 I345 L390 F392L302-L307 HydrophobicContact CD2-CD1 3.81Å; L302-L307 PolarHBondContact O-N 2.86Å; S305-L307 VanDerWaalsContact C-N 3.3Å; S305-L307 PolarHBondContact O-N 3.3Å; S305-L307 WeakPolarHBondContact OG-CD1 3.38Å; L307-A335 VanDerWaalsContact O-CA 3.27Å; L307-A335 WeakPolarHBondContact O-CA 3.39Å; L307-K336 PolarHBondContact O-N 3.33Å; L307-K336 VanDerWaalsContact O-N 3.1Å; L307-I337 HydrophobicContact CD2-CD1 4.12Å; L307-L342 HydrophobicContact CB-CD2 3.97Å; L307-L342 HydrophobicContact CD1-CD2 4.17Å; L307-I345 HydrophobicContact CD1-CD1 4.04Å; L307-I345 HydrophobicContact CD1-CG2 4.43Å; L307-I345 HydrophobicContact CD2-CD1 4.4Å; L307-L390 HydrophobicContact CD1-CD1 3.98Å; L307-F392 HydrophobicContact CD1-CD1 4.03Å; L307-F392 HydrophobicContact CD1-CE1 3.83Å; L307-F392 HydrophobicContact CD1-CZ 4.29Å; L307-F392 HydrophobicContact CD2-CD1 4.38Å; L307-F392 HydrophobicContact CD2-CD2 4.07Å; L307-F392 HydrophobicContact CD2-CE1 4.02Å; L307-F392 HydrophobicContact CD2-CE2 3.68Å; L307-F392 HydrophobicContact CD2-CG 4.4Å; L307-F392 HydrophobicContact CD2-CZ 3.65Å; L307-F392 HydrophobicContact CG-CE1 4.01Å; L307-F392 HydrophobicContact CG-CE2 4.49Å; L307-F392 HydrophobicContact CG-CZ 3.96Å
308C98.4Very high98.6Very high7 Ų723.2 Ų23.25%0.04713%0.125CC..  trans-149.1167.2178.258.90000110.4A335C308-A335 HydrophobicContact CB-CB 3.88Å
309R98.5Very high98.5Very high84 Ų8427 Ų2732%0.31715%0.145SC..SBendtrans-102.2-25.6177.2-62.8179.361.9-162.7-3.7112.2T140 D141 D188 A191 T334T140-R309 CarbonylContact C-O 3.41Å; T140-R309 WeakPolarHBondContact CA-O 3.44Å; D141-R309 HydrophobicContact CB-CB 4.39Å; D141-R309 WeakPolarHBondContact CB-O 3.3Å; D141-R309 PolarHBondContact N-O 3Å; D141-R309 IonicContact OD1-NE 3.81Å; D141-R309 IonicContact OD1-NH2 3.89Å; D141-R309 WeakPolarHBondContact OD2-CB 3.5Å; D141-R309 WeakPolarHBondContact OD2-CG 3.5Å; D141-R309 IonicContact OD2-CZ 3.55Å; D141-R309 IonicContact OD2-NE 2.74Å; D141-R309 PolarHBondContact OD2-NE 3.32Å; D141-R309 IonicContact OD2-NH2 3.51Å; D188-R309 IonicContact OD1-NH1 2.82Å; D188-R309 IonicContact OD2-CZ 3.41Å; D188-R309 IonicContact OD2-NH1 2.73Å; D188-R309 PolarHBondContact OD2-NH1 2.56Å; D188-R309 IonicContact OD2-NH2 3.17Å; D188-R309 PolarHBondContact OD2-NH2 2.92Å; A191-R309 HydrophobicContact CB-CB 4.12Å; A191-R309 VanDerWaalsContact CB-CZ 3.47Å; R309-T334 HydrophobicContact CB-CG2 4.27Å; R309-T334 PolarHBondContact N-OG1 3.02Å
310R98.7Very high98.4Very high32 Ų3227.6 Ų27.612%0.12115%0.152CC..EExtended strand (participates in β ladder)trans-147.7136.8179.4-171.1-178.4172.1-162.6-1.9109.3Y138 A139 G190 C192 S331 Y332 T334Y138-R310 HydrophobicContact CE2-CG 3.81Å; Y138-R310 WeakPolarHBondContact OH-CD 3.45Å; Y138-R310 WeakPolarHBondContact OH-CG 3.36Å; Y138-R310 PolarHBondContact OH-NE 3.18Å; A139-R310 WeakPolarHBondContact O-CA 3.47Å; G190-R310 WeakPolarHBondContact O-CD 3.37Å; G190-R310 PolarHBondContact O-NH1 3.43Å; C192-R310 PolarHBondContact SG-NH1 2.89Å; R310-S331 CarbonylContact O-C 3.19Å; R310-S331 VanDerWaalsContact O-CA 3.26Å; R310-S331 WeakPolarHBondContact O-CA 3.27Å; R310-Y332 HydrophobicContact CB-CD2 4.3Å; R310-Y332 HydrophobicContact CG-CD2 3.74Å; R310-Y332 HydrophobicContact CG-CE2 4.11Å; R310-Y332 HydrophobicContact CG-CG 4.39Å; R310-T334 HydrophobicContact CB-CG2 4.14Å; R310-T334 PolarHBondContact N-OG1 3.07Å; R310-T334 PolarHBondContact O-OG1 2.9Å; R310-T334 VanDerWaalsContact O-OG1 3.08Å
311V98.9Very high98.4Very high0 Ų030.5 Ų30.50%017%0.167CC..EExtended strand (participates in β ladder)trans-151.5141.3-178.167.80000112.2Y138 A139 A299 L302 V303 V313 V329 N330Y138-V311 WeakPolarHBondContact CA-O 3.19Å; Y138-V311 VanDerWaalsContact CD2-O 3.25Å; Y138-V311 WeakPolarHBondContact CD2-O 3.16Å; A139-V311 HydrophobicContact CB-CG1 4.36Å; A139-V311 PolarHBondContact N-O 3.33Å; A139-V311 VanDerWaalsContact N-O 3.16Å; A139-V311 PolarHBondContact O-N 3.24Å; A299-V311 HydrophobicContact CB-CG1 3.85Å; A299-V311 WeakPolarHBondContact O-CG1 3.4Å; L302-V311 HydrophobicContact CB-CG1 4.39Å; L302-V311 HydrophobicContact CD1-CG1 4.48Å; L302-V311 HydrophobicContact CD1-CG2 4.19Å; V303-V311 HydrophobicContact CG2-CG1 3.97Å; V311-V313 HydrophobicContact CG2-CG2 4.29Å; V311-V329 HydrophobicContact CG2-CG2 3.48Å; V311-V329 VanDerWaalsContact CG2-CG2 3.48Å; V311-N330 WeakPolarHBondContact CA-O 3.4Å
312L98.9Very high98.4Very high23 Ų2330.8 Ų30.812%0.1217%0.169CC..EExtended strand (participates in β ladder)trans-114.1129.6167.8-177.265.7000108.8F136 G137 Y138 A273 V329 N330 Y332F136-L312 HydrophobicContact CB-CD1 4.06Å; F136-L312 HydrophobicContact CD1-CD1 3.75Å; F136-L312 HydrophobicContact CD1-CD2 4.16Å; F136-L312 HydrophobicContact CD1-CG 3.98Å; F136-L312 HydrophobicContact CE1-CD2 4.25Å; F136-L312 HydrophobicContact CE1-CG 4.5Å; F136-L312 HydrophobicContact CG-CD1 4.28Å; G137-L312 CarbonylContact O-C 3.55Å; G137-L312 WeakPolarHBondContact O-CA 3.41Å; Y138-L312 HydrophobicContact CD2-CD1 4.44Å; A273-L312 HydrophobicContact CB-CD1 4.21Å; A273-L312 HydrophobicContact CB-CD2 4.05Å; L312-V329 WeakPolarHBondContact O-CA 3.11Å; L312-N330 PolarHBondContact N-O 2.94Å; L312-N330 PolarHBondContact O-N 2.69Å; L312-Y332 HydrophobicContact CB-CE2 3.82Å
313V98.9Very high98.3Very high0 Ų035.9 Ų35.90%019%0.193CC..EExtended strand (participates in β ladder)trans-116.9128.4176.2-179.90000107.9F136 G137 V298 A299 L302 V311 L315 N328 V329F136-V313 CarbonylContact C-O 3.58Å; F136-V313 VanDerWaalsContact CA-O 3.23Å; F136-V313 WeakPolarHBondContact CA-O 3.18Å; G137-V313 PolarHBondContact N-O 2.82Å; G137-V313 PolarHBondContact O-N 2.92Å; V298-V313 HydrophobicContact CG1-CG1 4.39Å; V298-V313 HydrophobicContact CG1-CG2 4.08Å; A299-V313 HydrophobicContact CB-CG2 4.14Å; L302-V313 HydrophobicContact CD1-CG2 4.43Å; V311-V313 HydrophobicContact CG2-CG2 4.29Å; V313-L315 HydrophobicContact CG1-CD2 4.3Å; V313-N328 CarbonylContact C-O 3.53Å; V313-N328 WeakPolarHBondContact CA-O 3.48Å; V313-V329 HydrophobicContact CG2-CG2 4.37Å
314Q98.9Very high98.3Very high60 Ų6036.8 Ų36.828%0.2820%0.199SC..EExtended strand (participates in β ladder)trans-110.9136172.7-172.5-174.543.700109.7M135 F136 I327 N328M135-Q314 WeakPolarHBondContact O-CA 3.41Å; F136-Q314 HydrophobicContact CD1-CB 3.79Å; F136-Q314 HydrophobicContact CD1-CG 3.98Å; F136-Q314 HydrophobicContact CE1-CB 3.58Å; F136-Q314 HydrophobicContact CE1-CG 3.52Å; F136-Q314 HydrophobicContact CZ-CB 4.41Å; F136-Q314 HydrophobicContact CZ-CG 3.85Å; F136-Q314 VanDerWaalsContact CZ-NE2 3.28Å; Q314-I327 WeakPolarHBondContact O-CA 3.38Å; Q314-N328 HydrophobicContact CB-CB 4.11Å; Q314-N328 PolarHBondContact N-O 3.24Å; Q314-N328 PolarHBondContact O-N 3.22Å
315L98.8Very high98.3Very high0 Ų036.7 Ų36.70%020%0.203CC..EExtended strand (participates in β ladder)trans-119.5151.6168.4-53.6179.7000109.2L134 M135 A291 A295 V313 Y317 A326 I327 L352L134-L315 CarbonylContact C-O 3.52Å; L134-L315 VanDerWaalsContact CA-O 3.23Å; L134-L315 WeakPolarHBondContact CA-O 3.27Å; M135-L315 PolarHBondContact N-O 2.98Å; M135-L315 PolarHBondContact O-N 2.94Å; A291-L315 HydrophobicContact CB-CD1 4.18Å; A295-L315 HydrophobicContact CB-CD1 3.9Å; A295-L315 HydrophobicContact CB-CG 4.18Å; V313-L315 HydrophobicContact CG1-CD2 4.3Å; L315-Y317 HydrophobicContact CB-CE2 3.98Å; L315-A326 WeakPolarHBondContact CA-O 3.24Å; L315-I327 HydrophobicContact CD2-CB 4.28Å; L315-I327 HydrophobicContact CD2-CG1 3.86Å; L315-I327 HydrophobicContact CD2-CG2 3.93Å; L315-L352 HydrophobicContact CD1-CD1 3.98Å; L315-L352 HydrophobicContact CD2-CD1 3.5Å; L315-L352 HydrophobicContact CG-CD1 4.42Å
316S98.7Very high98.3Very high24 Ų2436.8 Ų36.817%0.16821%0.207CC..EExtended strand (participates in β ladder)trans-142.3152.1167.564.40000112.4G133 P324 L325 A326G133-S316 CarbonylContact O-C 3.55Å; G133-S316 WeakPolarHBondContact O-CA 3.47Å; G133-S316 VanDerWaalsContact O-CB 3.31Å; G133-S316 WeakPolarHBondContact O-CB 3.35Å; S316-P324 CarbonylContact O-C 3.49Å; S316-P324 VanDerWaalsContact O-CA 3.24Å; S316-P324 WeakPolarHBondContact O-CA 3.41Å; S316-L325 PolarHBondContact O-N 3.4Å; S316-A326 PolarHBondContact N-O 2.72Å; S316-A326 PolarHBondContact OG-N 2.98Å
317Y98.8Very high98.4Very high3 Ų337.3 Ų37.31%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-136.6160.9-177-63.1-96.1000110.9A129 Q132 G133 M135 V287 A291 L315 P324 L352 P354A129-Y317 HydrophobicContact CB-CD1 4.02Å; A129-Y317 HydrophobicContact CB-CG 4.06Å; Q132-Y317 VanDerWaalsContact CA-O 3.26Å; Q132-Y317 WeakPolarHBondContact CA-O 3.49Å; G133-Y317 PolarHBondContact N-O 3.36Å; G133-Y317 VanDerWaalsContact N-O 3.12Å; G133-Y317 PolarHBondContact O-N 2.96Å; M135-Y317 HydrophobicContact SD-CD2 3.99Å; M135-Y317 HydrophobicContact SD-CE2 4.32Å; V287-Y317 HydrophobicContact CB-CD2 4.04Å; V287-Y317 HydrophobicContact CB-CE2 4.41Å; V287-Y317 HydrophobicContact CB-CG 4.37Å; V287-Y317 HydrophobicContact CG1-CD1 4.32Å; V287-Y317 HydrophobicContact CG1-CD2 4.19Å; V287-Y317 HydrophobicContact CG1-CE2 4.45Å; V287-Y317 HydrophobicContact CG1-CG 4.13Å; V287-Y317 HydrophobicContact CG2-CD2 4.19Å; V287-Y317 HydrophobicContact CG2-CG 4.33Å; A291-Y317 HydrophobicContact CB-CD2 4.3Å; A291-Y317 HydrophobicContact CB-CE2 3.43Å; A291-Y317 VanDerWaalsContact CB-CE2 3.43Å; L315-Y317 HydrophobicContact CB-CE2 3.98Å; Y317-P324 HydrophobicContact CE1-CB 4.08Å; Y317-P324 HydrophobicContact CE1-CG 3.81Å; Y317-L352 PolarHBondContact OH-O 3.33Å; Y317-P354 HydrophobicContact CE1-CG 4.36Å
318A98.2Very high98.4Very high26 Ų2640.8 Ų40.822%0.21522%0.219CC..  trans-115.1145.9162.100000109.3G320 I321 L325A318-G320 PolarHBondContact O-N 3.47Å; A318-I321 HydrophobicContact CB-CD1 3.98Å; A318-I321 HydrophobicContact CB-CG1 4.27Å; A318-I321 PolarHBondContact O-N 3.32Å; A318-I321 VanDerWaalsContact O-N 3.13Å; A318-L325 HydrophobicContact CB-CD1 3.98Å; A318-L325 HydrophobicContact CB-CD2 4.18Å; A318-L325 HydrophobicContact CB-CG 4.41Å
319I97.4Very high98.4Very high79 Ų7940.9 Ų40.941%0.40522%0.22SC..BIsolated β-bridgetrans-52.9132.6176.8-169.2169.6000111V118 A129 I321V118-I319 HydrophobicContact CG2-CD1 4.42Å; V118-I319 HydrophobicContact CG2-CG1 3.95Å; A129-I319 WeakPolarHBondContact O-CA 3.32Å; I319-I321 VanDerWaalsContact C-N 3.28Å; I319-I321 PolarHBondContact O-N 2.93Å
320G97.3Very high98.5Very high14 Ų1439.9 Ų39.914%0.14422%0.221CC..THydrogen-bonded Turntrans79-3.317800000116G117 R122 G128 A129 A318G117-G320 WeakPolarHBondContact O-CA 3.38Å; R122-G320 PolarHBondContact NH1-O 3.46Å; R122-G320 PolarHBondContact NH2-O 3.47Å; G128-G320 VanDerWaalsContact CA-C 3.48Å; A129-G320 PolarHBondContact O-N 2.63Å; A318-G320 PolarHBondContact O-N 3.47Å
321I97.9Very high98.4Very high75 Ų7538.6 Ų38.639%0.38522%0.216SC..  trans-101132.5173.6-57.2-172.9000109.5A129 A318 I319 L325A129-I321 PolarHBondContact N-O 3.23Å; A318-I321 HydrophobicContact CB-CD1 3.98Å; A318-I321 HydrophobicContact CB-CG1 4.27Å; A318-I321 PolarHBondContact O-N 3.32Å; A318-I321 VanDerWaalsContact O-N 3.13Å; I319-I321 VanDerWaalsContact C-N 3.28Å; I319-I321 PolarHBondContact O-N 2.93Å; I321-L325 HydrophobicContact CD1-CD2 4.34Å
322A98.2Very high98.4Very high7 Ų741.5 Ų41.56%0.05823%0.228CC..SBendtrans-78.1-46.9-177.100000111.5I127 R353 P354I127-A322 WeakPolarHBondContact O-CA 3.21Å; I127-A322 VanDerWaalsContact O-CB 3.3Å; I127-A322 WeakPolarHBondContact O-CB 3.43Å; A322-R353 HydrophobicContact CB-CB 4.43Å; A322-R353 HydrophobicContact CB-CG 4.11Å; A322-R353 WeakPolarHBondContact O-CA 3.4Å; A322-R353 WeakPolarHBondContact O-CG 3.47Å; A322-P354 WeakPolarHBondContact O-CD 3.35Å
323E98.2Very high98.3Very high108 Ų10843.5 Ų43.551%0.50525%0.254SS..SBendtrans-71.5145.8-179.4-62.182.6-176.600112.5R353E323-R353 HydrophobicContact CG-CG 4.34Å
324P98.4Very high98.3Very high31 Ų3144.4 Ų44.420%0.20126%0.26CS..  trans-60.2140.5167.4-15.426.6000111.3S316 Y317 I327 L352S316-P324 CarbonylContact O-C 3.49Å; S316-P324 VanDerWaalsContact O-CA 3.24Å; S316-P324 WeakPolarHBondContact O-CA 3.41Å; Y317-P324 HydrophobicContact CE1-CB 4.08Å; Y317-P324 HydrophobicContact CE1-CG 3.81Å; P324-I327 HydrophobicContact CB-CG1 4.17Å; P324-I327 HydrophobicContact CG-CD1 4.44Å; P324-I327 HydrophobicContact CG-CG1 4.45Å; P324-L352 HydrophobicContact CG-CB 3.81Å
325L98.4Very high98.2Very high105 Ų10542.6 Ų42.655%0.5526%0.255SS..SBendtrans-71.1-35.4172.7-55.7179000111.8S316 A318 I321S316-L325 PolarHBondContact O-N 3.4Å; A318-L325 HydrophobicContact CB-CD1 3.98Å; A318-L325 HydrophobicContact CB-CD2 4.18Å; A318-L325 HydrophobicContact CB-CG 4.41Å; I321-L325 HydrophobicContact CD1-CD2 4.34Å
326A98.2Very high97.9Very high46 Ų4651.1 Ų51.138%0.3829%0.292SS..EExtended strand (participates in β ladder)trans-148.8147.317900000111.3L315 S316L315-A326 WeakPolarHBondContact CA-O 3.24Å; S316-A326 PolarHBondContact N-O 2.72Å; S316-A326 PolarHBondContact OG-N 2.98Å
327I98.7Very high97.8Very high46 Ų4652.5 Ų52.524%0.23630%0.297CS..EExtended strand (participates in β ladder)trans-128.3121.2168.6-54.4174.1000106.8Q314 L315 P324 L343 I346 V347 L352Q314-I327 WeakPolarHBondContact O-CA 3.38Å; L315-I327 HydrophobicContact CD2-CB 4.28Å; L315-I327 HydrophobicContact CD2-CG1 3.86Å; L315-I327 HydrophobicContact CD2-CG2 3.93Å; P324-I327 HydrophobicContact CB-CG1 4.17Å; P324-I327 HydrophobicContact CG-CD1 4.44Å; P324-I327 HydrophobicContact CG-CG1 4.45Å; I327-L343 HydrophobicContact CB-CD1 3.84Å; I327-L343 HydrophobicContact CG2-CD1 3.53Å; I327-I346 HydrophobicContact CG2-CG2 4.33Å; I327-V347 HydrophobicContact CD1-CG2 4.35Å; I327-L352 HydrophobicContact CD1-CD1 3.96Å
328N98.6Very high97.8Very high87 Ų8755.4 Ų55.447%0.46532%0.317SS..EExtended strand (participates in β ladder)trans-120.3144.4174-178.3-90.2000110.2V313 Q314V313-N328 CarbonylContact C-O 3.53Å; V313-N328 WeakPolarHBondContact CA-O 3.48Å; Q314-N328 HydrophobicContact CB-CB 4.11Å; Q314-N328 PolarHBondContact N-O 3.24Å; Q314-N328 PolarHBondContact O-N 3.22Å
329V98.7Very high97.8Very high9 Ų956.6 Ų56.66%0.05532%0.32CS..EExtended strand (participates in β ladder)trans-133135.5175.3620000109.5L302 V311 L312 V313 D339 L342 L343 I346L302-V329 HydrophobicContact CD1-CG2 4.45Å; V311-V329 HydrophobicContact CG2-CG2 3.48Å; V311-V329 VanDerWaalsContact CG2-CG2 3.48Å; L312-V329 WeakPolarHBondContact O-CA 3.11Å; V313-V329 HydrophobicContact CG2-CG2 4.37Å; V329-D339 HydrophobicContact CG1-CB 4.26Å; V329-D339 WeakPolarHBondContact CG1-O 3.45Å; V329-L342 HydrophobicContact CG1-CB 4.02Å; V329-L342 HydrophobicContact CG2-CB 4.23Å; V329-L342 HydrophobicContact CG2-CD1 4.28Å; V329-L343 HydrophobicContact CG1-CB 3.94Å; V329-I346 HydrophobicContact CB-CD1 3.96Å; V329-I346 HydrophobicContact CG1-CD1 4.34Å; V329-I346 HydrophobicContact CG2-CD1 4.07Å
330N98.7Very high97.8Very high63 Ų6360.3 Ų60.334%0.33733%0.333SS..EExtended strand (participates in β ladder)trans-133.7114.4175179.8-13.4000108.9V311 L312 Y332V311-N330 WeakPolarHBondContact CA-O 3.4Å; L312-N330 PolarHBondContact N-O 2.94Å; L312-N330 PolarHBondContact O-N 2.69Å; N330-Y332 VanDerWaalsContact C-N 3.3Å; N330-Y332 WeakPolarHBondContact OD1-CA 3.28Å; N330-Y332 PolarHBondContact OD1-N 2.67Å
331S98.6Very high97.9Very high4 Ų465.3 Ų65.33%0.02835%0.351CS..  trans-87.37-179.963.30000114.5R310 G333 T334 A335 D339R310-S331 CarbonylContact O-C 3.19Å; R310-S331 VanDerWaalsContact O-CA 3.26Å; R310-S331 WeakPolarHBondContact O-CA 3.27Å; S331-G333 PolarHBondContact O-N 2.93Å; S331-T334 WeakPolarHBondContact O-CB 3.33Å; S331-T334 WeakPolarHBondContact O-CG2 3.26Å; S331-T334 PolarHBondContact O-N 3.39Å; S331-T334 PolarHBondContact O-OG1 3.36Å; S331-A335 VanDerWaalsContact OG-CB 3.31Å; S331-A335 WeakPolarHBondContact OG-CB 3.32Å; S331-D339 WeakPolarHBondContact CB-OD1 3.34Å; S331-D339 PolarHBondContact N-OD1 3.42Å; S331-D339 VanDerWaalsContact N-OD1 3.12Å; S331-D339 PolarHBondContact N-OD2 2.92Å; S331-D339 PolarHBondContact OG-OD1 2.92Å
332Y98Very high97.9Very high62 Ų6261.8 Ų61.824%0.24333%0.333CS..THydrogen-bonded Turntrans54.823.6-174-60.6-92.7000113.3Y138 G190 R310 L312 N330 T334Y138-Y332 HydrophobicContact CE2-CE2 4.06Å; G190-Y332 WeakPolarHBondContact CA-O 3.33Å; R310-Y332 HydrophobicContact CB-CD2 4.3Å; R310-Y332 HydrophobicContact CG-CD2 3.74Å; R310-Y332 HydrophobicContact CG-CE2 4.11Å; R310-Y332 HydrophobicContact CG-CG 4.39Å; L312-Y332 HydrophobicContact CB-CE2 3.82Å; N330-Y332 VanDerWaalsContact C-N 3.3Å; N330-Y332 WeakPolarHBondContact OD1-CA 3.28Å; N330-Y332 PolarHBondContact OD1-N 2.67Å; Y332-T334 VanDerWaalsContact C-N 3.3Å
333G97.2Very high97.9Very high65 Ų6563.8 Ų63.867%0.6734%0.342SS*.THydrogen-bonded Turntrans78.56.5-174.200000115S331S331-G333 PolarHBondContact O-N 2.93Å
334T98.2Very high97.9Very high19 Ų1963 Ų6312%0.11734%0.342CS..  trans-88.3-7.6-177.4710000114.3G190 A191 R309 R310 S331 Y332G190-T334 VanDerWaalsContact C-CG2 3.41Å; A191-T334 HydrophobicContact CB-CG2 4.08Å; A191-T334 VanDerWaalsContact N-CG2 3.32Å; R309-T334 HydrophobicContact CB-CG2 4.27Å; R309-T334 PolarHBondContact N-OG1 3.02Å; R310-T334 HydrophobicContact CB-CG2 4.14Å; R310-T334 PolarHBondContact N-OG1 3.07Å; R310-T334 PolarHBondContact O-OG1 2.9Å; R310-T334 VanDerWaalsContact O-OG1 3.08Å; S331-T334 WeakPolarHBondContact O-CB 3.33Å; S331-T334 WeakPolarHBondContact O-CG2 3.26Å; S331-T334 PolarHBondContact O-N 3.39Å; S331-T334 PolarHBondContact O-OG1 3.36Å; Y332-T334 VanDerWaalsContact C-N 3.3Å
335A97.3Very high97.9Very high21 Ų2162.3 Ų62.317%0.17434%0.336CS..  trans-77.7147.4-18000000112.5L307 C308 S331 I337 L342L307-A335 VanDerWaalsContact O-CA 3.27Å; L307-A335 WeakPolarHBondContact O-CA 3.39Å; C308-A335 HydrophobicContact CB-CB 3.88Å; S331-A335 VanDerWaalsContact OG-CB 3.31Å; S331-A335 WeakPolarHBondContact OG-CB 3.32Å; A335-I337 WeakPolarHBondContact CB-O 3.25Å; A335-I337 PolarHBondContact O-N 3.49Å; A335-L342 HydrophobicContact CB-CD1 3.76Å; A335-L342 HydrophobicContact CB-CG 4.5Å
336K92.4Very high97.9Very high180 Ų18057.3 Ų57.378%0.78331%0.31SS*.SBendtrans-76.2-12172.4-61.8176.2-176.1164.70113G306 L307G306-K336 PolarHBondContact O-NZ 2.97Å; L307-K336 PolarHBondContact O-N 3.33Å; L307-K336 VanDerWaalsContact O-N 3.1Å
337I96.9Very high97.9Very high53 Ų5359.5 Ų59.527%0.27232%0.318SS..SBendtrans-130.5164.8-17957.8175.9000109.1L307 A335 K341 L342 I345L307-I337 HydrophobicContact CD2-CD1 4.12Å; A335-I337 WeakPolarHBondContact CB-O 3.25Å; A335-I337 PolarHBondContact O-N 3.49Å; I337-K341 HydrophobicContact CB-CB 4.26Å; I337-K341 HydrophobicContact CB-CD 4.27Å; I337-K341 HydrophobicContact CD1-CB 3.92Å; I337-K341 HydrophobicContact CG1-CB 4.34Å; I337-L342 HydrophobicContact CD1-CD2 3.8Å; I337-L342 HydrophobicContact CD1-CG 4.22Å; I337-L342 HydrophobicContact CG1-CD2 3.94Å; I337-L342 HydrophobicContact CG1-CG 4.09Å; I337-I345 HydrophobicContact CD1-CD1 3.63Å
338S97.9Very high97.9Very high63 Ų6363.9 Ų63.944%0.44134%0.336SS..  trans-67152.317862.20000112.2K340 K341 L342S338-K340 PolarHBondContact O-N 3.41Å; S338-K341 PolarHBondContact O-N 3.1Å; S338-K341 PolarHBondContact OG-N 3Å; S338-L342 PolarHBondContact O-N 3.03Å
339D98.3Very high97.9Very high52 Ų5260.6 Ų60.628%0.27832%0.318SS..Hα-helixtrans-56.7-32.2174.6-71.8-15.7000112.2V329 S331 K341 L342 L343V329-D339 HydrophobicContact CG1-CB 4.26Å; V329-D339 WeakPolarHBondContact CG1-O 3.45Å; S331-D339 WeakPolarHBondContact CB-OD1 3.34Å; S331-D339 PolarHBondContact N-OD1 3.42Å; S331-D339 VanDerWaalsContact N-OD1 3.12Å; S331-D339 PolarHBondContact N-OD2 2.92Å; S331-D339 PolarHBondContact OG-OD1 2.92Å; D339-K341 PolarHBondContact O-N 2.99Å; D339-L342 WeakPolarHBondContact O-CB 3.46Å; D339-L342 PolarHBondContact O-N 2.98Å; D339-L343 PolarHBondContact O-N 3.27Å
340K98.2Very high97.9Very high157 Ų15760.7 Ų60.768%0.68332%0.318SS*.Hα-helixtrans-58.8-44.9171.5-178.7176.6177.7177.90112.3S338 L342 L343 D344S338-K340 PolarHBondContact O-N 3.41Å; K340-L342 VanDerWaalsContact C-N 3.35Å; K340-L343 WeakPolarHBondContact O-CB 3.37Å; K340-L343 PolarHBondContact O-N 2.84Å; K340-D344 PolarHBondContact O-N 2.98Å; K340-D344 VanDerWaalsContact O-N 3.08Å
341K98.3Very high97.9Very high119 Ų11960.9 Ų60.952%0.51732%0.319SS..Hα-helixtrans-69.6-33.9177.1-71.9-175.4175.1-175.10111.7I337 S338 D339 L343 D344 I345I337-K341 HydrophobicContact CB-CB 4.26Å; I337-K341 HydrophobicContact CB-CD 4.27Å; I337-K341 HydrophobicContact CD1-CB 3.92Å; I337-K341 HydrophobicContact CG1-CB 4.34Å; S338-K341 PolarHBondContact O-N 3.1Å; S338-K341 PolarHBondContact OG-N 3Å; D339-K341 PolarHBondContact O-N 2.99Å; K341-L343 VanDerWaalsContact C-N 3.31Å; K341-D344 PolarHBondContact O-N 3.17Å; K341-I345 VanDerWaalsContact O-CG1 3.31Å; K341-I345 WeakPolarHBondContact O-CG1 3.4Å; K341-I345 PolarHBondContact O-N 3.06Å; K341-I345 VanDerWaalsContact O-N 3.08Å
342L98.5Very high97.9Very high0 Ų060.9 Ų60.90%032%0.319CS..Hα-helixtrans-60.2-43.3170.9-68.7175.8000111L302 L307 V329 A335 I337 S338 D339 K340 D344 I345 I346L302-L342 HydrophobicContact CD2-CD2 4.19Å; L307-L342 HydrophobicContact CB-CD2 3.97Å; L307-L342 HydrophobicContact CD1-CD2 4.17Å; V329-L342 HydrophobicContact CG1-CB 4.02Å; V329-L342 HydrophobicContact CG2-CB 4.23Å; V329-L342 HydrophobicContact CG2-CD1 4.28Å; A335-L342 HydrophobicContact CB-CD1 3.76Å; A335-L342 HydrophobicContact CB-CG 4.5Å; I337-L342 HydrophobicContact CD1-CD2 3.8Å; I337-L342 HydrophobicContact CD1-CG 4.22Å; I337-L342 HydrophobicContact CG1-CD2 3.94Å; I337-L342 HydrophobicContact CG1-CG 4.09Å; S338-L342 PolarHBondContact O-N 3.03Å; D339-L342 WeakPolarHBondContact O-CB 3.46Å; D339-L342 PolarHBondContact O-N 2.98Å; K340-L342 VanDerWaalsContact C-N 3.35Å; L342-D344 PolarHBondContact O-N 3.42Å; L342-I345 WeakPolarHBondContact O-CB 3.44Å; L342-I345 PolarHBondContact O-N 3.15Å; L342-I346 VanDerWaalsContact O-CG1 3.29Å; L342-I346 WeakPolarHBondContact O-CG1 3.47Å; L342-I346 PolarHBondContact O-N 3.11Å
343L98.7Very high97.9Very high49 Ų4960.2 Ų60.226%0.25732%0.316SS..Hα-helixtrans-59-45.7175.7-178.961.9000111.8I327 V329 D339 K340 K341 I345 I346 V347I327-L343 HydrophobicContact CB-CD1 3.84Å; I327-L343 HydrophobicContact CG2-CD1 3.53Å; V329-L343 HydrophobicContact CG1-CB 3.94Å; D339-L343 PolarHBondContact O-N 3.27Å; K340-L343 WeakPolarHBondContact O-CB 3.37Å; K340-L343 PolarHBondContact O-N 2.84Å; K341-L343 VanDerWaalsContact C-N 3.31Å; L343-I345 VanDerWaalsContact C-N 3.28Å; L343-I345 PolarHBondContact O-N 2.94Å; L343-I346 WeakPolarHBondContact O-CB 3.13Å; L343-I346 PolarHBondContact O-N 2.66Å; L343-I346 VanDerWaalsContact O-N 3.1Å; L343-V347 HydrophobicContact CD1-CG2 4.22Å; L343-V347 HydrophobicContact CG-CG2 4.46Å; L343-V347 WeakPolarHBondContact O-CG2 3.3Å; L343-V347 PolarHBondContact O-N 3.06Å
344D98.4Very high98Very high93 Ų9357.1 Ų57.150%0.49728%0.284SS..Hα-helixtrans-58.5-40.5176.7-63.3-28000111.6K340 K341 L342 K348K340-D344 PolarHBondContact O-N 2.98Å; K340-D344 VanDerWaalsContact O-N 3.08Å; K341-D344 PolarHBondContact O-N 3.17Å; L342-D344 PolarHBondContact O-N 3.42Å; D344-K348 VanDerWaalsContact O-CB 3.32Å; D344-K348 WeakPolarHBondContact O-CB 3.49Å; D344-K348 PolarHBondContact O-N 3.04Å
345I98.5Very high98Very high16 Ų1656.2 Ų56.28%0.08228%0.278CS..Hα-helixtrans-64.9-42.4175.1-65.4168.8000111L307 I337 K341 L342 L343 K348 N349 L390 F392L307-I345 HydrophobicContact CD1-CD1 4.04Å; L307-I345 HydrophobicContact CD1-CG2 4.43Å; L307-I345 HydrophobicContact CD2-CD1 4.4Å; I337-I345 HydrophobicContact CD1-CD1 3.63Å; K341-I345 VanDerWaalsContact O-CG1 3.31Å; K341-I345 WeakPolarHBondContact O-CG1 3.4Å; K341-I345 PolarHBondContact O-N 3.06Å; K341-I345 VanDerWaalsContact O-N 3.08Å; L342-I345 WeakPolarHBondContact O-CB 3.44Å; L342-I345 PolarHBondContact O-N 3.15Å; L343-I345 VanDerWaalsContact C-N 3.28Å; L343-I345 PolarHBondContact O-N 2.94Å; I345-K348 PolarHBondContact O-N 2.88Å; I345-N349 WeakPolarHBondContact O-CB 3.43Å; I345-N349 PolarHBondContact O-N 2.82Å; I345-N349 VanDerWaalsContact O-N 3.14Å; I345-N349 PolarHBondContact O-ND2 2.83Å; I345-L390 HydrophobicContact CG2-CB 4.43Å; I345-L390 HydrophobicContact CG2-CD1 4.2Å; I345-F392 HydrophobicContact CD1-CB 3.49Å; I345-F392 VanDerWaalsContact CD1-CB 3.49Å; I345-F392 HydrophobicContact CD1-CD1 4.39Å; I345-F392 HydrophobicContact CD1-CG 3.98Å; I345-F392 HydrophobicContact CG1-CB 3.68Å; I345-F392 HydrophobicContact CG2-CB 4.33Å; I345-F392 HydrophobicContact CG2-CD1 4.41Å
346I98.5Very high98Very high0 Ų056.2 Ų56.20%028%0.276CS..Hα-helixtrans-59.8-54.6177.4-65.7166.6000109.7V298 L302 I327 V329 L342 L343 K348 N349 F350V298-I346 HydrophobicContact CG1-CB 4.46Å; V298-I346 HydrophobicContact CG1-CD1 3.91Å; V298-I346 HydrophobicContact CG1-CG1 3.72Å; V298-I346 HydrophobicContact CG1-CG2 3.96Å; L302-I346 HydrophobicContact CD1-CD1 3.92Å; L302-I346 HydrophobicContact CD1-CG1 4.07Å; L302-I346 HydrophobicContact CD2-CG1 4.42Å; I327-I346 HydrophobicContact CG2-CG2 4.33Å; V329-I346 HydrophobicContact CB-CD1 3.96Å; V329-I346 HydrophobicContact CG1-CD1 4.34Å; V329-I346 HydrophobicContact CG2-CD1 4.07Å; L342-I346 VanDerWaalsContact O-CG1 3.29Å; L342-I346 WeakPolarHBondContact O-CG1 3.47Å; L342-I346 PolarHBondContact O-N 3.11Å; L343-I346 WeakPolarHBondContact O-CB 3.13Å; L343-I346 PolarHBondContact O-N 2.66Å; L343-I346 VanDerWaalsContact O-N 3.1Å; I346-K348 PolarHBondContact O-N 2.86Å; I346-N349 PolarHBondContact O-N 2.83Å; I346-N349 VanDerWaalsContact O-N 3.08Å; I346-F350 HydrophobicContact CG2-CD2 4.3Å; I346-F350 WeakPolarHBondContact O-CD2 3.35Å; I346-F350 PolarHBondContact O-N 3.35Å
347V98.2Very high98.3Very high91 Ų9147.8 Ų47.855%0.55224%0.239SC*.Hα-helixtrans-59.8-35.7-177.8173.50000111.8I327 L343I327-V347 HydrophobicContact CD1-CG2 4.35Å; L343-V347 HydrophobicContact CD1-CG2 4.22Å; L343-V347 HydrophobicContact CG-CG2 4.46Å; L343-V347 WeakPolarHBondContact O-CG2 3.3Å; L343-V347 PolarHBondContact O-N 3.06Å
348K98.2Very high98.4Very high139 Ų13945.3 Ų45.360%0.60423%0.227SC*.Hα-helixtrans-70-33.2177.3-179-179.2173.7-167.80113.7D344 I345 I346 T391D344-K348 VanDerWaalsContact O-CB 3.32Å; D344-K348 WeakPolarHBondContact O-CB 3.49Å; D344-K348 PolarHBondContact O-N 3.04Å; I345-K348 PolarHBondContact O-N 2.88Å; I346-K348 PolarHBondContact O-N 2.86Å; K348-T391 WeakPolarHBondContact CE-OG1 3.47Å
349N98.7Very high98.4Very high18 Ų1847.3 Ų47.310%0.09623%0.227CC..Hα-helixtrans-105.2-16.6-169.1-71.1-88.5000113.8I345 I346 K388 L390 T391I345-N349 WeakPolarHBondContact O-CB 3.43Å; I345-N349 PolarHBondContact O-N 2.82Å; I345-N349 VanDerWaalsContact O-N 3.14Å; I345-N349 PolarHBondContact O-ND2 2.83Å; I346-N349 PolarHBondContact O-N 2.83Å; I346-N349 VanDerWaalsContact O-N 3.08Å; N349-K388 VanDerWaalsContact O-CE 3.25Å; N349-K388 WeakPolarHBondContact O-CE 3.49Å; N349-K388 PolarHBondContact O-NZ 2.65Å; N349-L390 HydrophobicContact CB-CD2 4.04Å; N349-T391 PolarHBondContact ND2-O 2.71Å; N349-T391 VanDerWaalsContact ND2-O 3.12Å; N349-T391 PolarHBondContact OD1-N 3.04Å; N349-T391 PolarHBondContact OD1-OG1 3.42Å
350F98.7Very high98.4Very high11 Ų1149.6 Ų49.65%0.04824%0.236CC..  trans-129.4121-174.6-60.4-88000111.6W297 V298 I346 L352 K388 L390W297-F350 HydrophobicContact CD2-CD1 4.35Å; W297-F350 AromaticContact CD2-CE1 3.78Å; W297-F350 HydrophobicContact CD2-CE1 3.78Å; W297-F350 AromaticContact CE3-CD1 3.68Å; W297-F350 HydrophobicContact CE3-CD1 3.68Å; W297-F350 AromaticContact CE3-CE1 3.59Å; W297-F350 HydrophobicContact CE3-CE1 3.59Å; W297-F350 HydrophobicContact CH2-CD1 4.06Å; W297-F350 AromaticContact CH2-CE1 3.97Å; W297-F350 HydrophobicContact CH2-CE1 3.97Å; W297-F350 HydrophobicContact CZ2-CE1 4.13Å; W297-F350 AromaticContact CZ3-CD1 3.53Å; W297-F350 HydrophobicContact CZ3-CD1 3.53Å; W297-F350 AromaticContact CZ3-CE1 3.7Å; W297-F350 HydrophobicContact CZ3-CE1 3.7Å; V298-F350 HydrophobicContact CB-CE2 4.49Å; V298-F350 HydrophobicContact CB-CZ 4.47Å; V298-F350 HydrophobicContact CG1-CD2 4.47Å; V298-F350 HydrophobicContact CG1-CE2 4.28Å; V298-F350 HydrophobicContact CG2-CB 4.31Å; V298-F350 HydrophobicContact CG2-CD1 3.72Å; V298-F350 HydrophobicContact CG2-CD2 3.9Å; V298-F350 HydrophobicContact CG2-CE1 3.9Å; V298-F350 HydrophobicContact CG2-CE2 4.06Å; V298-F350 HydrophobicContact CG2-CG 3.71Å; V298-F350 HydrophobicContact CG2-CZ 4.06Å; I346-F350 HydrophobicContact CG2-CD2 4.3Å; I346-F350 WeakPolarHBondContact O-CD2 3.35Å; I346-F350 PolarHBondContact O-N 3.35Å; F350-L352 HydrophobicContact CB-CD2 3.96Å; F350-L352 HydrophobicContact CB-CG 4.11Å; F350-K388 HydrophobicContact CD1-CD 3.99Å; F350-K388 HydrophobicContact CE1-CB 3.87Å; F350-K388 HydrophobicContact CE1-CD 3.6Å; F350-K388 HydrophobicContact CE1-CG 4.35Å; F350-K388 HydrophobicContact CZ-CB 3.89Å; F350-K388 HydrophobicContact CZ-CD 4.02Å; F350-K388 HydrophobicContact CZ-CG 4.49Å; F350-L390 HydrophobicContact CE2-CD2 3.48Å; F350-L390 VanDerWaalsContact CE2-CD2 3.48Å; F350-L390 HydrophobicContact CZ-CD2 3.62Å
351D98.4Very high98.4Very high66 Ų6642.2 Ų42.235%0.35320%0.204SC..  trans-92.4112.3163.2-177.2-18.9000107.7R353 V356D351-R353 WeakPolarHBondContact OD1-CB 3.4Å; D351-R353 VanDerWaalsContact OD1-CG 3.29Å; D351-R353 WeakPolarHBondContact OD1-CG 3.4Å; D351-R353 PolarHBondContact OD1-N 3.1Å; D351-R353 VanDerWaalsContact OD1-N 3.09Å; D351-R353 IonicContact OD1-NE 3.98Å; D351-R353 PolarHBondContact OD1-NE 3.34Å; D351-R353 IonicContact OD2-CZ 2.86Å; D351-R353 IonicContact OD2-NE 2.73Å; D351-R353 PolarHBondContact OD2-NE 3.25Å; D351-R353 VanDerWaalsContact OD2-NE 3.11Å; D351-R353 IonicContact OD2-NH2 3.26Å; D351-R353 PolarHBondContact OD2-NH2 3.23Å; D351-V356 HydrophobicContact CB-CB 4.37Å; D351-V356 HydrophobicContact CB-CG1 3.91Å
352L98.7Very high98.4Very high5 Ų540 Ų403%0.02620%0.198CC..  trans-100.321.8-171.7-61175.8000112.2A294 V298 L315 Y317 P324 I327 F350 I357A294-L352 HydrophobicContact CB-CD2 4.02Å; V298-L352 HydrophobicContact CG2-CD2 4.24Å; L315-L352 HydrophobicContact CD1-CD1 3.98Å; L315-L352 HydrophobicContact CD2-CD1 3.5Å; L315-L352 HydrophobicContact CG-CD1 4.42Å; Y317-L352 PolarHBondContact OH-O 3.33Å; P324-L352 HydrophobicContact CG-CB 3.81Å; I327-L352 HydrophobicContact CD1-CD1 3.96Å; F350-L352 HydrophobicContact CB-CD2 3.96Å; F350-L352 HydrophobicContact CB-CG 4.11Å; L352-I357 HydrophobicContact CB-CD1 4.42Å; L352-I357 WeakPolarHBondContact O-CD1 3.15Å
353R98.6Very high98.4Very high48 Ų4840 Ų4018%0.18120%0.199CC..  trans-69.2137.1168.1-65.8179.6-66.7156.71.6109.8E125 D126 A322 E323 D351 G355 V356 I357E125-R353 PolarHBondContact O-NH1 3.47Å; D126-R353 IonicContact OD1-NH1 3.11Å; D126-R353 PolarHBondContact OD1-NH1 2.64Å; A322-R353 HydrophobicContact CB-CB 4.43Å; A322-R353 HydrophobicContact CB-CG 4.11Å; A322-R353 WeakPolarHBondContact O-CA 3.4Å; A322-R353 WeakPolarHBondContact O-CG 3.47Å; E323-R353 HydrophobicContact CG-CG 4.34Å; D351-R353 WeakPolarHBondContact OD1-CB 3.4Å; D351-R353 VanDerWaalsContact OD1-CG 3.29Å; D351-R353 WeakPolarHBondContact OD1-CG 3.4Å; D351-R353 PolarHBondContact OD1-N 3.1Å; D351-R353 VanDerWaalsContact OD1-N 3.09Å; D351-R353 IonicContact OD1-NE 3.98Å; D351-R353 PolarHBondContact OD1-NE 3.34Å; D351-R353 IonicContact OD2-CZ 2.86Å; D351-R353 IonicContact OD2-NE 2.73Å; D351-R353 PolarHBondContact OD2-NE 3.25Å; D351-R353 VanDerWaalsContact OD2-NE 3.11Å; D351-R353 IonicContact OD2-NH2 3.26Å; D351-R353 PolarHBondContact OD2-NH2 3.23Å; R353-G355 PolarHBondContact O-N 2.96Å; R353-G355 VanDerWaalsContact O-N 3.11Å; R353-V356 HydrophobicContact CB-CG2 4.26Å; R353-V356 PolarHBondContact O-N 2.83Å; R353-I357 WeakPolarHBondContact O-CG1 3.06Å; R353-I357 PolarHBondContact O-N 3.05Å
354P98.2Very high98.4Very high0 Ų040.2 Ų40.20%020%0.196CC..Hα-helixtrans-54.3-36.8-176.9-25.833.3000113.3I127 A129 V287 Y317 A322 V356 I357 V358I127-P354 HydrophobicContact CD1-CB 4.27Å; I127-P354 HydrophobicContact CG1-CB 4.37Å; A129-P354 HydrophobicContact CB-CG 4.42Å; V287-P354 HydrophobicContact CG1-CB 4.35Å; V287-P354 HydrophobicContact CG1-CG 3.63Å; Y317-P354 HydrophobicContact CE1-CG 4.36Å; A322-P354 WeakPolarHBondContact O-CD 3.35Å; P354-V356 VanDerWaalsContact C-N 3.29Å; P354-V356 PolarHBondContact O-N 3.12Å; P354-I357 PolarHBondContact O-N 2.92Å; P354-V358 WeakPolarHBondContact O-CG1 3.5Å; P354-V358 PolarHBondContact O-N 3.49Å
355G98.1Very high98.3Very high0 Ų038 Ų380%019%0.186CC..Hα-helixtrans-64.3-25175.400000116.3I124 R353 V358I124-G355 WeakPolarHBondContact O-CA 3.38Å; R353-G355 PolarHBondContact O-N 2.96Å; R353-G355 VanDerWaalsContact O-N 3.11Å; G355-V358 WeakPolarHBondContact O-CG1 3.44Å
356V98.5Very high98.3Very high20 Ų2039.3 Ų39.312%0.12120%0.195CC..Hα-helixtrans-92.1-41174.9-179.50000110.3E125 D351 R353 P354 V358 K359 E360E125-V356 HydrophobicContact CB-CG2 4.41Å; D351-V356 HydrophobicContact CB-CB 4.37Å; D351-V356 HydrophobicContact CB-CG1 3.91Å; R353-V356 HydrophobicContact CB-CG2 4.26Å; R353-V356 PolarHBondContact O-N 2.83Å; P354-V356 VanDerWaalsContact C-N 3.29Å; P354-V356 PolarHBondContact O-N 3.12Å; V356-V358 VanDerWaalsContact C-N 3.3Å; V356-V358 PolarHBondContact O-N 3.19Å; V356-K359 WeakPolarHBondContact O-CB 3.27Å; V356-K359 PolarHBondContact O-N 3.1Å; V356-E360 HydrophobicContact CG1-CG 4.14Å; V356-E360 PolarHBondContact O-N 3.4Å
357I98.7Very high98.3Very high3 Ų341.6 Ų41.62%0.01520%0.204CC..Hα-helixtrans-54.3-45.5175.1-67.8169.4000111.3A294 L352 R353 P354 K359 E360 L361 L363A294-I357 HydrophobicContact CB-CD1 3.69Å; A294-I357 HydrophobicContact CB-CG1 3.93Å; A294-I357 HydrophobicContact CB-CG2 4.01Å; L352-I357 HydrophobicContact CB-CD1 4.42Å; L352-I357 WeakPolarHBondContact O-CD1 3.15Å; R353-I357 WeakPolarHBondContact O-CG1 3.06Å; R353-I357 PolarHBondContact O-N 3.05Å; P354-I357 PolarHBondContact O-N 2.92Å; I357-K359 PolarHBondContact O-N 3.18Å; I357-E360 PolarHBondContact O-N 3.28Å; I357-L361 HydrophobicContact CG2-CD1 3.83Å; I357-L361 HydrophobicContact CG2-CG 4.35Å; I357-L361 WeakPolarHBondContact O-CB 3.36Å; I357-L361 PolarHBondContact O-N 3.26Å; I357-L363 HydrophobicContact CG2-CD1 3.83Å
358V98.3Very high98.3Very high2 Ų237.4 Ų37.41%0.01218%0.178CC..Hα-helixtrans-58-32.3178.6610000112.9I124 Y284 P354 G355 V356 D362 L363 R364I124-V358 HydrophobicContact CD1-CG1 4.29Å; I124-V358 HydrophobicContact CG1-CG1 4.44Å; Y284-V358 HydrophobicContact CD1-CB 4.5Å; Y284-V358 HydrophobicContact CD1-CG2 3.71Å; Y284-V358 HydrophobicContact CD2-CB 3.41Å; Y284-V358 VanDerWaalsContact CD2-CB 3.41Å; Y284-V358 HydrophobicContact CD2-CG1 3.85Å; Y284-V358 HydrophobicContact CD2-CG2 3.53Å; Y284-V358 HydrophobicContact CE1-CG2 4.05Å; Y284-V358 HydrophobicContact CE2-CB 3.83Å; Y284-V358 HydrophobicContact CE2-CG1 3.76Å; Y284-V358 HydrophobicContact CE2-CG2 3.84Å; Y284-V358 HydrophobicContact CG-CB 3.78Å; Y284-V358 HydrophobicContact CG-CG2 3.45Å; Y284-V358 VanDerWaalsContact CG-CG2 3.45Å; P354-V358 WeakPolarHBondContact O-CG1 3.5Å; P354-V358 PolarHBondContact O-N 3.49Å; G355-V358 WeakPolarHBondContact O-CG1 3.44Å; V356-V358 VanDerWaalsContact C-N 3.3Å; V356-V358 PolarHBondContact O-N 3.19Å; V358-D362 VanDerWaalsContact O-CA 3.3Å; V358-D362 WeakPolarHBondContact O-CA 3.08Å; V358-D362 PolarHBondContact O-N 3Å; V358-D362 VanDerWaalsContact O-N 3.12Å; V358-L363 HydrophobicContact CB-CB 4.36Å; V358-L363 HydrophobicContact CG2-CB 4.02Å; V358-L363 PolarHBondContact O-N 3.47Å; V358-R364 HydrophobicContact CG2-CG 3.8Å
359K97.5Very high98.4Very high104 Ų10433.6 Ų33.645%0.45216%0.164SC..Hα-helixtrans-79.6-48.3178.5-62.8-176.1-178.4-170.90111.5E125 V356 I357 L361 D362E125-K359 IonicContact OE1-NZ 3.58Å; E125-K359 PolarHBondContact OE1-NZ 2.85Å; V356-K359 WeakPolarHBondContact O-CB 3.27Å; V356-K359 PolarHBondContact O-N 3.1Å; I357-K359 PolarHBondContact O-N 3.18Å; K359-L361 VanDerWaalsContact C-N 3.29Å; K359-L361 PolarHBondContact O-N 3.12Å; K359-D362 PolarHBondContact O-N 3.42Å
360E98.2Very high98.3Very high100 Ų10038 Ų3847%0.46718%0.184SC..Hα-helixtrans-63.9-35-178.5-69-81.7156.800112W297 V356 I357 K388W297-E360 HydrophobicContact CH2-CB 4.04Å; W297-E360 HydrophobicContact CH2-CG 4.38Å; W297-E360 WeakPolarHBondContact CH2-OE2 3.28Å; W297-E360 HydrophobicContact CZ3-CB 4.16Å; V356-E360 HydrophobicContact CG1-CG 4.14Å; V356-E360 PolarHBondContact O-N 3.4Å; I357-E360 PolarHBondContact O-N 3.28Å; E360-K388 IonicContact OE2-NZ 2.59Å
361L98.6Very high98.3Very high2 Ų237.5 Ų37.51%0.0118%0.182CC..THydrogen-bonded Turntrans-106.16.4-177.6-56.9-175.7000113.7A294 W297 I357 K359 L363 P383 W384A294-L361 HydrophobicContact CB-CD1 4.32Å; W297-L361 HydrophobicContact CD2-CD2 3.9Å; W297-L361 HydrophobicContact CE3-CD2 3.96Å; W297-L361 HydrophobicContact CG-CD2 4.19Å; W297-L361 HydrophobicContact CZ3-CD2 4.36Å; I357-L361 HydrophobicContact CG2-CD1 3.83Å; I357-L361 HydrophobicContact CG2-CG 4.35Å; I357-L361 WeakPolarHBondContact O-CB 3.36Å; I357-L361 PolarHBondContact O-N 3.26Å; K359-L361 VanDerWaalsContact C-N 3.29Å; K359-L361 PolarHBondContact O-N 3.12Å; L361-L363 VanDerWaalsContact C-N 3.34Å; L361-L363 HydrophobicContact CB-CD1 4.32Å; L361-L363 HydrophobicContact CB-CD2 3.78Å; L361-L363 HydrophobicContact CB-CG 3.8Å; L361-L363 PolarHBondContact O-N 3.2Å; L361-P383 HydrophobicContact CB-CB 4.36Å; L361-P383 HydrophobicContact CD2-CB 4.32Å; L361-P383 WeakPolarHBondContact O-CB 3.25Å; L361-P383 WeakPolarHBondContact O-CG 3.44Å; L361-W384 HydrophobicContact CD1-CB 4.22Å; L361-W384 HydrophobicContact CD2-CB 4.26Å
362D98.1Very high98.4Very high73 Ų7334.4 Ų34.439%0.3917%0.165SC..THydrogen-bonded Turntrans48.552.6178.2-177.824.4000112.6V358 K359 R364 T365 R367V358-D362 VanDerWaalsContact O-CA 3.3Å; V358-D362 WeakPolarHBondContact O-CA 3.08Å; V358-D362 PolarHBondContact O-N 3Å; V358-D362 VanDerWaalsContact O-N 3.12Å; K359-D362 PolarHBondContact O-N 3.42Å; D362-R364 PolarHBondContact O-N 3.26Å; D362-T365 VanDerWaalsContact CG-OG1 3.23Å; D362-T365 PolarHBondContact O-N 2.87Å; D362-T365 PolarHBondContact OD1-OG1 2.87Å; D362-T365 PolarHBondContact OD2-OG1 2.88Å; D362-R367 VanDerWaalsContact CB-NH2 3.29Å; D362-R367 PolarHBondContact O-NH2 3.36Å; D362-R367 IonicContact OD1-NH2 3.06Å; D362-R367 IonicContact OD2-CZ 3.78Å; D362-R367 IonicContact OD2-NH1 3.89Å; D362-R367 IonicContact OD2-NH2 2.63Å; D362-R367 PolarHBondContact OD2-NH2 3.37Å
363L98.6Very high98.3Very high1 Ų134.7 Ų34.71%0.00517%0.167CC..THydrogen-bonded Turntrans-82.79.2-172-58.8-177.6000113.9Y293 I357 V358 L361 Y368 W384Y293-L363 HydrophobicContact CD2-CD2 3.99Å; Y293-L363 HydrophobicContact CE2-CD2 4.47Å; I357-L363 HydrophobicContact CG2-CD1 3.83Å; V358-L363 HydrophobicContact CB-CB 4.36Å; V358-L363 HydrophobicContact CG2-CB 4.02Å; V358-L363 PolarHBondContact O-N 3.47Å; L361-L363 VanDerWaalsContact C-N 3.34Å; L361-L363 HydrophobicContact CB-CD1 4.32Å; L361-L363 HydrophobicContact CB-CD2 3.78Å; L361-L363 HydrophobicContact CB-CG 3.8Å; L361-L363 PolarHBondContact O-N 3.2Å; L363-Y368 VanDerWaalsContact C-OH 3.27Å; L363-Y368 WeakPolarHBondContact CA-OH 3.46Å; L363-Y368 WeakPolarHBondContact CB-OH 3.49Å; L363-Y368 PolarHBondContact O-OH 3.08Å; L363-W384 HydrophobicContact CD2-CE3 4.31Å; L363-W384 HydrophobicContact CD2-CZ3 4.06Å
364R97.9Very high98.3Very high52 Ų5233.9 Ų33.920%0.19616%0.164CC..THydrogen-bonded Turntrans-92.8-18.3169.3-68.1-178.7173.791-4112.7P47 E48 Y284 V358 D362P47-R364 HydrophobicContact CB-CB 4.25Å; P47-R364 WeakPolarHBondContact O-CG 3.19Å; E48-R364 IonicContact OE1-CZ 3.35Å; E48-R364 IonicContact OE1-NE 2.83Å; E48-R364 PolarHBondContact OE1-NE 2.98Å; E48-R364 IonicContact OE1-NH2 2.54Å; E48-R364 PolarHBondContact OE1-NH2 3.32Å; E48-R364 IonicContact OE2-NE 2.74Å; E48-R364 IonicContact OE2-NH2 3.7Å; E48-R364 PolarHBondContact OE2-NH2 2.94Å; Y284-R364 HydrophobicContact CD1-CG 4.37Å; Y284-R364 HydrophobicContact CE1-CG 4.3Å; Y284-R364 PolarHBondContact OH-NH2 3.49Å; V358-R364 HydrophobicContact CG2-CG 3.8Å; D362-R364 PolarHBondContact O-N 3.26Å
365T98.2Very high98.4Very high47 Ų4733.9 Ų33.929%0.28817%0.165SC..SBendtrans-71.4128.4-176.7-71.30000110.7D362 R367D362-T365 VanDerWaalsContact CG-OG1 3.23Å; D362-T365 PolarHBondContact O-N 2.87Å; D362-T365 PolarHBondContact OD1-OG1 2.87Å; D362-T365 PolarHBondContact OD2-OG1 2.88Å; T365-R367 PolarHBondContact O-N 3.2Å
366P98.3Very high98.4Very high44 Ų4433.9 Ų33.929%0.28617%0.165SC..SBendtrans-72.696.6-177.929.5-35.8000111.4D40 L43 R44D40-P366 HydrophobicContact CB-CB 3.96Å; D40-P366 VanDerWaalsContact O-CB 3.31Å; D40-P366 WeakPolarHBondContact O-CB 3.42Å; D40-P366 VanDerWaalsContact OD1-CA 3.25Å; D40-P366 WeakPolarHBondContact OD1-CA 3.4Å; L43-P366 HydrophobicContact CB-CB 4.28Å; R44-P366 HydrophobicContact CB-CG 4.26Å
367R98Very high98.4Very high48 Ų4833.2 Ų33.218%0.18116%0.16CC..  trans-145.211.9177.964.4-178.1134.1-136-0.7113.4D40 D362 T365 Q370D40-R367 PolarHBondContact OD1-N 3.07Å; D362-R367 VanDerWaalsContact CB-NH2 3.29Å; D362-R367 PolarHBondContact O-NH2 3.36Å; D362-R367 IonicContact OD1-NH2 3.06Å; D362-R367 IonicContact OD2-CZ 3.78Å; D362-R367 IonicContact OD2-NH1 3.89Å; D362-R367 IonicContact OD2-NH2 2.63Å; D362-R367 PolarHBondContact OD2-NH2 3.37Å; T365-R367 PolarHBondContact O-N 3.2Å; R367-Q370 WeakPolarHBondContact O-CB 3.39Å; R367-Q370 PolarHBondContact O-N 3.14Å
368Y98.8Very high98.4Very high3 Ų333.7 Ų33.71%0.01217%0.166CC..G310 helixtrans-71.7-32.3-171.1-68.2-76.7000112.5L39 D40 L43 Y293 L363 Q370 T371 A372L39-Y368 HydrophobicContact CD2-CD1 4.14Å; L39-Y368 HydrophobicContact CD2-CD2 3.5Å; L39-Y368 VanDerWaalsContact CD2-CD2 3.5Å; L39-Y368 HydrophobicContact CD2-CE2 4.04Å; L39-Y368 HydrophobicContact CD2-CG 3.54Å; L39-Y368 HydrophobicContact CG-CD2 3.94Å; L39-Y368 HydrophobicContact CG-CG 4.38Å; D40-Y368 WeakPolarHBondContact OD1-CB 3.21Å; D40-Y368 WeakPolarHBondContact OD1-CD2 3.41Å; D40-Y368 PolarHBondContact OD1-N 3.28Å; D40-Y368 PolarHBondContact OD2-N 2.94Å; D40-Y368 VanDerWaalsContact OD2-N 3.12Å; L43-Y368 HydrophobicContact CD1-CD2 3.76Å; L43-Y368 HydrophobicContact CD1-CE2 3.38Å; Y293-Y368 HydrophobicContact CE2-CE1 4.27Å; L363-Y368 VanDerWaalsContact C-OH 3.27Å; L363-Y368 WeakPolarHBondContact CA-OH 3.46Å; L363-Y368 WeakPolarHBondContact CB-OH 3.49Å; L363-Y368 PolarHBondContact O-OH 3.08Å; Y368-Q370 PolarHBondContact O-N 3.44Å; Y368-Q370 VanDerWaalsContact O-N 3.13Å; Y368-T371 WeakPolarHBondContact O-CA 3.16Å; Y368-T371 WeakPolarHBondContact O-CB 3.33Å; Y368-T371 PolarHBondContact O-N 3Å; Y368-T371 PolarHBondContact O-OG1 3.45Å; Y368-A372 PolarHBondContact O-N 3.45Å
369L98.7Very high98.4Very high59 Ų5935.4 Ų35.431%0.30917%0.172SC..G310 helixtrans-55.3-36.2175.6173.958.3000111.5Q33 A37 D40 T371 A372Q33-L369 HydrophobicContact CB-CD1 3.81Å; Q33-L369 HydrophobicContact CG-CD1 4.13Å; Q33-L369 VanDerWaalsContact O-CD1 3.3Å; Q33-L369 WeakPolarHBondContact O-CD1 3.46Å; A37-L369 HydrophobicContact CB-CD1 4.17Å; A37-L369 HydrophobicContact CB-CD2 4.18Å; D40-L369 VanDerWaalsContact OD2-CB 3.31Å; D40-L369 WeakPolarHBondContact OD2-CB 3.46Å; D40-L369 PolarHBondContact OD2-N 2.92Å; L369-T371 PolarHBondContact O-N 2.78Å; L369-A372 PolarHBondContact O-N 3.28Å
370Q98.3Very high98.4Very high111 Ų11134.8 Ų34.852%0.51918%0.178SC..G310 helixtrans-66.7-25.1178.1-59.8-17730.300112.3R367 Y368 R379 F382R367-Q370 WeakPolarHBondContact O-CB 3.39Å; R367-Q370 PolarHBondContact O-N 3.14Å; Y368-Q370 PolarHBondContact O-N 3.44Å; Y368-Q370 VanDerWaalsContact O-N 3.13Å; Q370-R379 VanDerWaalsContact O-CZ 3.26Å; Q370-R379 PolarHBondContact O-NH1 3.46Å; Q370-R379 PolarHBondContact O-NH2 2.66Å; Q370-F382 HydrophobicContact CB-CE1 4.38Å; Q370-F382 HydrophobicContact CB-CZ 4.22Å
371T98.8Very high98.4Very high0 Ų034.5 Ų34.50%018%0.177CC..THydrogen-bonded Turntrans-81.6-27.8-178.971.90000112.7Y368 L369 V373 H376 F382 W384Y368-T371 WeakPolarHBondContact O-CA 3.16Å; Y368-T371 WeakPolarHBondContact O-CB 3.33Å; Y368-T371 PolarHBondContact O-N 3Å; Y368-T371 PolarHBondContact O-OG1 3.45Å; L369-T371 PolarHBondContact O-N 2.78Å; T371-V373 PolarHBondContact O-N 3.32Å; T371-H376 WeakPolarHBondContact CB-ND1 3.26Å; T371-H376 PolarHBondContact O-CD2 2.87Å; T371-H376 PolarHBondContact O-NE2 3.26Å; T371-H376 PolarHBondContact OG1-CE1 3.45Å; T371-H376 PolarHBondContact OG1-ND1 3.17Å; T371-F382 HydrophobicContact CG2-CD1 4.36Å; T371-F382 HydrophobicContact CG2-CE1 3.71Å; T371-F382 HydrophobicContact CG2-CE2 4.09Å; T371-F382 HydrophobicContact CG2-CZ 3.55Å; T371-W384 HydrophobicContact CG2-CH2 3.84Å; T371-W384 HydrophobicContact CG2-CZ2 3.96Å
372A98.8Very high98.4Very high0 Ų034.5 Ų34.50%018%0.177CC..SBendtrans-65.2-7.6-170.800000115.4K29 D32 Q33 D36 Y368 L369K29-A372 WeakPolarHBondContact CD-O 3.29Å; K29-A372 WeakPolarHBondContact CE-O 3.45Å; K29-A372 PolarHBondContact NZ-O 3.48Å; D32-A372 HydrophobicContact CB-CB 4.18Å; Q33-A372 HydrophobicContact CB-CB 4.41Å; Q33-A372 HydrophobicContact CG-CB 3.87Å; D36-A372 HydrophobicContact CB-CB 4.25Å; Y368-A372 PolarHBondContact O-N 3.45Å; L369-A372 PolarHBondContact O-N 3.28Å
373V98.3Very high98.4Very high11 Ų1132.3 Ų32.37%0.06717%0.167CC..SBendtrans-141.6150.8177.767.30000111.1E24 T371 G375 R379E24-V373 HydrophobicContact CB-CG2 4.49Å; E24-V373 HydrophobicContact CG-CB 4.46Å; E24-V373 HydrophobicContact CG-CG1 4.21Å; E24-V373 HydrophobicContact CG-CG2 3.75Å; T371-V373 PolarHBondContact O-N 3.32Å; V373-G375 VanDerWaalsContact C-N 3.29Å; V373-G375 PolarHBondContact O-N 3.07Å; V373-R379 PolarHBondContact O-NH1 3.13Å
374Y98.6Very high98.4Very high31 Ų3132.3 Ų32.312%0.12217%0.167CC..SBendtrans63.228.6-177.3-45.7-55.7000115E24 H155 N158 K159 A162E24-Y374 HydrophobicContact CG-CE2 4.17Å; E24-Y374 WeakPolarHBondContact CG-OH 3.35Å; E24-Y374 PolarHBondContact OE1-OH 2.89Å; H155-Y374 PolarHBondContact CD2-O 3.28Å; N158-Y374 HydrophobicContact CB-CD1 4.37Å; N158-Y374 HydrophobicContact CB-CE1 3.93Å; K159-Y374 HydrophobicContact CB-CD1 4.03Å; K159-Y374 HydrophobicContact CB-CD2 4.5Å; K159-Y374 HydrophobicContact CB-CE1 3.83Å; K159-Y374 HydrophobicContact CB-CE2 4.31Å; K159-Y374 HydrophobicContact CB-CG 4.35Å; K159-Y374 HydrophobicContact CD-CD2 4.38Å; K159-Y374 HydrophobicContact CG-CD2 4.37Å; K159-Y374 HydrophobicContact CG-CE2 4.11Å; A162-Y374 VanDerWaalsContact CB-OH 3.29Å; A162-Y374 WeakPolarHBondContact CB-OH 3.33Å
375G98.7Very high98.5Very high1 Ų130 Ų301%0.0116%0.158CC..  trans81.7144.4176.900000112.9H155 V373 F377 R379H155-G375 WeakPolarHBondContact NE2-CA 3.33Å; V373-G375 VanDerWaalsContact C-N 3.29Å; V373-G375 PolarHBondContact O-N 3.07Å; G375-F377 VanDerWaalsContact C-N 3.32Å; G375-R379 WeakPolarHBondContact O-CD 3.37Å; G375-R379 PolarHBondContact O-NH1 2.96Å
376H98.9Very high98.5Very high0 Ų032.9 Ų32.90%017%0.169CC..SBendtrans-79.7-19.3176.4-71.6-116.1000112D266 F279 Y293 T371 W384D266-H376 PolarHBondContact O-N 3.3Å; D266-H376 IonicContact OD1-CD2 3.96Å; D266-H376 PolarHBondContact OD1-CD2 2.89Å; D266-H376 IonicContact OD1-NE2 2.69Å; F279-H376 HydrophobicContact CD2-CB 4.36Å; F279-H376 AromaticContact CD2-CD2 3.71Å; F279-H376 AromaticContact CD2-CE1 3.69Å; F279-H376 AromaticContact CD2-CG 3.64Å; F279-H376 AromaticContact CD2-ND1 3.6Å; F279-H376 AromaticContact CD2-NE2 3.73Å; F279-H376 HydrophobicContact CE2-CB 4.42Å; Y293-H376 HydrophobicContact CE1-CB 4.1Å; Y293-H376 AromaticContact CE1-ND1 3.61Å; Y293-H376 AromaticContact CZ-ND1 3.56Å; Y293-H376 PolarHBondContact OH-CE1 2.94Å; Y293-H376 PolarHBondContact OH-ND1 2.82Å; T371-H376 WeakPolarHBondContact CB-ND1 3.26Å; T371-H376 PolarHBondContact O-CD2 2.87Å; T371-H376 PolarHBondContact O-NE2 3.26Å; T371-H376 PolarHBondContact OG1-CE1 3.45Å; T371-H376 PolarHBondContact OG1-ND1 3.17Å; H376-W384 PolarHBondContact O-NE1 3.48Å
377F98.9Very high98.4Very high6 Ų633.3 Ų33.33%0.02617%0.172CC..SBendtrans-117.9159.2-170.4-52.6-40.4000112.8M147 T267 Y268 F279 Y293 R296 G375 W384 E385M147-F377 HydrophobicContact CE-CB 3.86Å; M147-F377 HydrophobicContact SD-CB 3.76Å; T267-F377 HydrophobicContact CG2-CD2 4.47Å; T267-F377 HydrophobicContact CG2-CE2 3.74Å; Y268-F377 HydrophobicContact CD1-CD2 4.01Å; Y268-F377 AromaticContact CE1-CD2 3.32Å; Y268-F377 HydrophobicContact CE1-CD2 3.32Å; Y268-F377 AromaticContact CE1-CE2 3.72Å; Y268-F377 HydrophobicContact CE1-CE2 3.72Å; Y268-F377 HydrophobicContact CE1-CG 4.21Å; Y268-F377 HydrophobicContact CE2-CE2 4.15Å; Y268-F377 AromaticContact CZ-CD2 3.6Å; Y268-F377 AromaticContact CZ-CE2 3.45Å; Y268-F377 VanDerWaalsContact CZ-CE2 3.45Å; Y268-F377 VanDerWaalsContact OH-CE2 3.27Å; Y268-F377 WeakPolarHBondContact OH-CE2 3.47Å; F279-F377 HydrophobicContact CE2-CZ 4.32Å; F279-F377 HydrophobicContact CZ-CZ 4.33Å; Y293-F377 AromaticContact CD1-CE1 3.62Å; Y293-F377 HydrophobicContact CD1-CE1 3.62Å; Y293-F377 HydrophobicContact CD1-CZ 4.11Å; Y293-F377 HydrophobicContact CE1-CE1 4.09Å; R296-F377 HydrophobicContact CB-CD1 3.97Å; R296-F377 HydrophobicContact CB-CE1 3.8Å; R296-F377 HydrophobicContact CB-CG 4.44Å; R296-F377 HydrophobicContact CB-CZ 4.1Å; R296-F377 HydrophobicContact CG-CB 4.34Å; R296-F377 HydrophobicContact CG-CD1 3.58Å; R296-F377 HydrophobicContact CG-CE1 3.95Å; R296-F377 HydrophobicContact CG-CG 3.9Å; G375-F377 VanDerWaalsContact C-N 3.32Å; F377-W384 AromaticContact CD1-CD1 3.81Å; F377-W384 AromaticContact CD1-NE1 3.65Å; F377-E385 VanDerWaalsContact CA-OE1 3.32Å; F377-E385 WeakPolarHBondContact CA-OE1 3.5Å
378G98.6Very high98.4Very high12 Ų1233.9 Ų33.912%0.12418%0.176CC..SBendtrans82.38-178.800000115.2E145 E385E145-G378 WeakPolarHBondContact CB-O 3.17Å; E145-G378 WeakPolarHBondContact CG-O 3.26Å; G378-E385 WeakPolarHBondContact CA-OE2 3.17Å; G378-E385 PolarHBondContact N-OE1 3.11Å; G378-E385 PolarHBondContact N-OE2 3.24Å
379R98.2Very high98.4Very high39 Ų3943.1 Ų43.115%0.14722%0.216CC..  trans-111.8111.9-172.5-72.6172.157.6-168.8-1.2111.5Q370 V373 G375 E381 F382 E385Q370-R379 VanDerWaalsContact O-CZ 3.26Å; Q370-R379 PolarHBondContact O-NH1 3.46Å; Q370-R379 PolarHBondContact O-NH2 2.66Å; V373-R379 PolarHBondContact O-NH1 3.13Å; G375-R379 WeakPolarHBondContact O-CD 3.37Å; G375-R379 PolarHBondContact O-NH1 2.96Å; R379-E381 IonicContact CZ-OE1 3.92Å; R379-E381 VanDerWaalsContact CZ-OE1 3.26Å; R379-E381 IonicContact NE-OE1 3.22Å; R379-E381 PolarHBondContact NE-OE1 3.23Å; R379-E381 IonicContact NH2-OE1 2.72Å; R379-E381 PolarHBondContact NH2-OE1 2.74Å; R379-E381 PolarHBondContact O-N 2.91Å; R379-E381 VanDerWaalsContact O-N 3.08Å; R379-F382 HydrophobicContact CB-CD2 3.74Å; R379-F382 HydrophobicContact CB-CE2 3.77Å; R379-F382 VanDerWaalsContact CZ-CZ 3.48Å; R379-F382 VanDerWaalsContact NH2-CZ 3.32Å; R379-F382 PolarHBondContact O-N 2.84Å; R379-E385 WeakPolarHBondContact O-CB 3.42Å; R379-E385 VanDerWaalsContact O-CG 3.25Å; R379-E385 WeakPolarHBondContact O-CG 3.36Å
380P97.6Very high98.3Very high90 Ų9041.1 Ų41.158%0.58421%0.206SC*.THydrogen-bonded Turntrans-65.8-17.1-165.727.4-35.9000114.1F382 Q386P380-F382 PolarHBondContact O-N 3.04Å; P380-Q386 PolarHBondContact O-NE2 2.86Å
381E97.4Very high98.2Very high94 Ų9439.4 Ų39.444%0.43920%0.202SC..THydrogen-bonded Turntrans-65.5-14.3176.763.5-92.5-149.200114.3R379R379-E381 IonicContact CZ-OE1 3.92Å; R379-E381 VanDerWaalsContact CZ-OE1 3.26Å; R379-E381 IonicContact NE-OE1 3.22Å; R379-E381 PolarHBondContact NE-OE1 3.23Å; R379-E381 IonicContact NH2-OE1 2.72Å; R379-E381 PolarHBondContact NH2-OE1 2.74Å; R379-E381 PolarHBondContact O-N 2.91Å; R379-E381 VanDerWaalsContact O-N 3.08Å
382F98.6Very high97.9Very high2 Ų247.1 Ų47.11%0.00924%0.237CC..SBendtrans-99.4143.6-174.2-58.8-51.8000114.7Q370 T371 R379 P380 W384 E385Q370-F382 HydrophobicContact CB-CE1 4.38Å; Q370-F382 HydrophobicContact CB-CZ 4.22Å; T371-F382 HydrophobicContact CG2-CD1 4.36Å; T371-F382 HydrophobicContact CG2-CE1 3.71Å; T371-F382 HydrophobicContact CG2-CE2 4.09Å; T371-F382 HydrophobicContact CG2-CZ 3.55Å; R379-F382 HydrophobicContact CB-CD2 3.74Å; R379-F382 HydrophobicContact CB-CE2 3.77Å; R379-F382 VanDerWaalsContact CZ-CZ 3.48Å; R379-F382 VanDerWaalsContact NH2-CZ 3.32Å; R379-F382 PolarHBondContact O-N 2.84Å; P380-F382 PolarHBondContact O-N 3.04Å; F382-W384 HydrophobicContact CB-CD2 3.84Å; F382-W384 VanDerWaalsContact CB-CE2 3.45Å; F382-W384 HydrophobicContact CB-CE3 4.17Å; F382-W384 HydrophobicContact CB-CG 4.48Å; F382-W384 HydrophobicContact CB-CH2 3.82Å; F382-W384 HydrophobicContact CB-CZ2 3.46Å; F382-W384 VanDerWaalsContact CB-CZ2 3.46Å; F382-W384 HydrophobicContact CB-CZ3 4.16Å; F382-W384 AromaticContact CD1-CH2 3.79Å; F382-W384 HydrophobicContact CD1-CH2 3.79Å; F382-W384 AromaticContact CD1-CZ2 3.87Å; F382-W384 HydrophobicContact CD1-CZ2 3.87Å; F382-W384 HydrophobicContact CD2-CH2 4.33Å; F382-W384 AromaticContact CD2-CZ2 3.56Å; F382-W384 HydrophobicContact CD2-CZ2 3.56Å; F382-W384 HydrophobicContact CE1-CH2 4.46Å; F382-W384 HydrophobicContact CE2-CZ2 4.22Å; F382-W384 AromaticContact CG-CE2 3.85Å; F382-W384 AromaticContact CG-CH2 3.74Å; F382-W384 HydrophobicContact CG-CH2 3.74Å; F382-W384 AromaticContact CG-CZ2 3.36Å; F382-W384 HydrophobicContact CG-CZ2 3.36Å; F382-W384 PolarHBondContact O-N 2.89Å; F382-E385 HydrophobicContact CB-CG 4.41Å; F382-E385 WeakPolarHBondContact O-CB 3.42Å; F382-E385 PolarHBondContact O-N 2.95Å
383P98.5Very high97.9Very high28 Ų2849.5 Ų49.518%0.18225%0.248CC..G310 helixtrans-58.5-38.4-178.6-28.937.7000115L361 E385 Q386L361-P383 HydrophobicContact CB-CB 4.36Å; L361-P383 HydrophobicContact CD2-CB 4.32Å; L361-P383 WeakPolarHBondContact O-CB 3.25Å; L361-P383 WeakPolarHBondContact O-CG 3.44Å; P383-E385 PolarHBondContact O-N 3.29Å; P383-Q386 WeakPolarHBondContact O-CB 3.5Å; P383-Q386 PolarHBondContact O-N 2.99Å
384W98.8Very high97.9Very high1 Ų151.5 Ų51.50%0.00426%0.258CS..G310 helixtrans-69.1-12.8178.153.788.1000113.6Y293 W297 L361 L363 T371 H376 F377 F382Y293-W384 AromaticContact CD2-CD2 3.78Å; Y293-W384 HydrophobicContact CD2-CD2 3.78Å; Y293-W384 AromaticContact CD2-CE3 3.39Å; Y293-W384 HydrophobicContact CD2-CE3 3.39Å; Y293-W384 AromaticContact CD2-CH2 3.77Å; Y293-W384 HydrophobicContact CD2-CH2 3.77Å; Y293-W384 HydrophobicContact CD2-CZ2 4.12Å; Y293-W384 AromaticContact CD2-CZ3 3.39Å; Y293-W384 HydrophobicContact CD2-CZ3 3.39Å; Y293-W384 HydrophobicContact CE1-CZ2 4.47Å; Y293-W384 HydrophobicContact CE2-CD2 4.33Å; Y293-W384 AromaticContact CE2-CE3 3.92Å; Y293-W384 HydrophobicContact CE2-CE3 3.92Å; Y293-W384 AromaticContact CE2-CH2 3.36Å; Y293-W384 HydrophobicContact CE2-CH2 3.36Å; Y293-W384 AromaticContact CE2-CZ2 3.8Å; Y293-W384 HydrophobicContact CE2-CZ2 3.8Å; Y293-W384 AromaticContact CE2-CZ3 3.42Å; Y293-W384 HydrophobicContact CE2-CZ3 3.42Å; Y293-W384 VanDerWaalsContact CE2-CZ3 3.42Å; Y293-W384 AromaticContact CG-CD2 3.92Å; Y293-W384 HydrophobicContact CG-CD2 3.92Å; Y293-W384 AromaticContact CG-CE3 3.98Å; Y293-W384 HydrophobicContact CG-CE3 3.98Å; Y293-W384 HydrophobicContact CG-CG 4.36Å; Y293-W384 HydrophobicContact CG-CZ3 4.34Å; Y293-W384 AromaticContact CZ-CH2 3.94Å; Y293-W384 AromaticContact CZ-CZ2 3.99Å; Y293-W384 WeakPolarHBondContact O-CB 3.49Å; W297-W384 WeakPolarHBondContact CA-O 3.44Å; W297-W384 HydrophobicContact CB-CB 4.05Å; L361-W384 HydrophobicContact CD1-CB 4.22Å; L361-W384 HydrophobicContact CD2-CB 4.26Å; L363-W384 HydrophobicContact CD2-CE3 4.31Å; L363-W384 HydrophobicContact CD2-CZ3 4.06Å; T371-W384 HydrophobicContact CG2-CH2 3.84Å; T371-W384 HydrophobicContact CG2-CZ2 3.96Å; H376-W384 PolarHBondContact O-NE1 3.48Å; F377-W384 AromaticContact CD1-CD1 3.81Å; F377-W384 AromaticContact CD1-NE1 3.65Å; F382-W384 HydrophobicContact CB-CD2 3.84Å; F382-W384 VanDerWaalsContact CB-CE2 3.45Å; F382-W384 HydrophobicContact CB-CE3 4.17Å; F382-W384 HydrophobicContact CB-CG 4.48Å; F382-W384 HydrophobicContact CB-CH2 3.82Å; F382-W384 HydrophobicContact CB-CZ2 3.46Å; F382-W384 VanDerWaalsContact CB-CZ2 3.46Å; F382-W384 HydrophobicContact CB-CZ3 4.16Å; F382-W384 AromaticContact CD1-CH2 3.79Å; F382-W384 HydrophobicContact CD1-CH2 3.79Å; F382-W384 AromaticContact CD1-CZ2 3.87Å; F382-W384 HydrophobicContact CD1-CZ2 3.87Å; F382-W384 HydrophobicContact CD2-CH2 4.33Å; F382-W384 AromaticContact CD2-CZ2 3.56Å; F382-W384 HydrophobicContact CD2-CZ2 3.56Å; F382-W384 HydrophobicContact CE1-CH2 4.46Å; F382-W384 HydrophobicContact CE2-CZ2 4.22Å; F382-W384 AromaticContact CG-CE2 3.85Å; F382-W384 AromaticContact CG-CH2 3.74Å; F382-W384 HydrophobicContact CG-CH2 3.74Å; F382-W384 AromaticContact CG-CZ2 3.36Å; F382-W384 HydrophobicContact CG-CZ2 3.36Å; F382-W384 PolarHBondContact O-N 2.89Å
385E98.8Very high97.8Very high4 Ų452.7 Ų52.72%0.01927%0.265CS..G310 helixtrans-90.4-8.1174-64.3-64.8148.600112.4R296 K300 F377 G378 R379 F382 P383R296-E385 IonicContact CZ-OE1 2.69Å; R296-E385 IonicContact CZ-OE2 2.78Å; R296-E385 IonicContact NE-OE1 2.75Å; R296-E385 PolarHBondContact NE-OE1 2.79Å; R296-E385 IonicContact NE-OE2 2.88Å; R296-E385 IonicContact NH2-OE1 2.93Å; R296-E385 PolarHBondContact NH2-OE1 2.95Å; R296-E385 IonicContact NH2-OE2 2.77Å; R296-E385 PolarHBondContact NH2-OE2 2.99Å; K300-E385 VanDerWaalsContact CD-OE2 3.3Å; K300-E385 WeakPolarHBondContact CD-OE2 3.4Å; K300-E385 WeakPolarHBondContact CE-OE2 3.48Å; K300-E385 PolarHBondContact NZ-O 3.23Å; K300-E385 IonicContact NZ-OE2 3.28Å; K300-E385 PolarHBondContact NZ-OE2 2.86Å; F377-E385 VanDerWaalsContact CA-OE1 3.32Å; F377-E385 WeakPolarHBondContact CA-OE1 3.5Å; G378-E385 WeakPolarHBondContact CA-OE2 3.17Å; G378-E385 PolarHBondContact N-OE1 3.11Å; G378-E385 PolarHBondContact N-OE2 3.24Å; R379-E385 WeakPolarHBondContact O-CB 3.42Å; R379-E385 VanDerWaalsContact O-CG 3.25Å; R379-E385 WeakPolarHBondContact O-CG 3.36Å; F382-E385 HydrophobicContact CB-CG 4.41Å; F382-E385 WeakPolarHBondContact O-CB 3.42Å; F382-E385 PolarHBondContact O-N 2.95Å; P383-E385 PolarHBondContact O-N 3.29Å
386Q98.3Very high97.8Very high107 Ų10755.7 Ų55.750%0.528%0.28SS..SBendtrans-89.1103.5175.4-57.5-54.8-44.700110.6W297 P380 P383 K388W297-Q386 VanDerWaalsContact CD1-O 3.25Å; W297-Q386 PolarHBondContact NE1-O 2.98Å; P380-Q386 PolarHBondContact O-NE2 2.86Å; P383-Q386 WeakPolarHBondContact O-CB 3.5Å; P383-Q386 PolarHBondContact O-N 2.99Å; Q386-K388 PolarHBondContact O-N 2.83Å
387C97.4Very high97.7Very high53 Ų5359.2 Ų59.236%0.35830%0.298SS..  trans-64.4136.4-170.6-63.90000113K304K304-C387 HydrophobicContact CB-CB 4.35Å; K304-C387 VanDerWaalsContact CG-SG 3.58Å
388K97.8Very high97.6Very high59 Ų5962.7 Ų62.726%0.25732%0.316SS..  trans-74.7134.1172.3-164.2170.2-167.1161.40109.8W297 S301 N349 F350 E360 Q386 L390W297-K388 HydrophobicContact CH2-CB 4.47Å; W297-K388 HydrophobicContact CH2-CD 3.74Å; W297-K388 HydrophobicContact CH2-CG 4.48Å; W297-K388 HydrophobicContact CZ2-CB 3.67Å; W297-K388 HydrophobicContact CZ2-CD 3.77Å; W297-K388 HydrophobicContact CZ2-CG 4.01Å; S301-K388 PolarHBondContact OG-N 3.02Å; N349-K388 VanDerWaalsContact O-CE 3.25Å; N349-K388 WeakPolarHBondContact O-CE 3.49Å; N349-K388 PolarHBondContact O-NZ 2.65Å; F350-K388 HydrophobicContact CD1-CD 3.99Å; F350-K388 HydrophobicContact CE1-CB 3.87Å; F350-K388 HydrophobicContact CE1-CD 3.6Å; F350-K388 HydrophobicContact CE1-CG 4.35Å; F350-K388 HydrophobicContact CZ-CB 3.89Å; F350-K388 HydrophobicContact CZ-CD 4.02Å; F350-K388 HydrophobicContact CZ-CG 4.49Å; E360-K388 IonicContact OE2-NZ 2.59Å; Q386-K388 PolarHBondContact O-N 2.83Å; K388-L390 HydrophobicContact CB-CD2 4.37Å; K388-L390 PolarHBondContact O-N 2.72Å
389K97.5Very high97.6Very high197 Ų19766.4 Ų66.486%0.85733%0.33SS*.  trans-69.9115.1169-174.5178.4-178.9179.80109.1
390L97.9Very high97.5Very high18 Ų1868.5 Ų68.59%0.09434%0.344CS..  trans-85.8147.2-176.8-53.2-177.4000111.8L302 L307 I345 N349 F350 K388 F392L302-L390 HydrophobicContact CD2-CD1 3.78Å; L307-L390 HydrophobicContact CD1-CD1 3.98Å; I345-L390 HydrophobicContact CG2-CB 4.43Å; I345-L390 HydrophobicContact CG2-CD1 4.2Å; N349-L390 HydrophobicContact CB-CD2 4.04Å; F350-L390 HydrophobicContact CE2-CD2 3.48Å; F350-L390 VanDerWaalsContact CE2-CD2 3.48Å; F350-L390 HydrophobicContact CZ-CD2 3.62Å; K388-L390 HydrophobicContact CB-CD2 4.37Å; K388-L390 PolarHBondContact O-N 2.72Å; L390-F392 HydrophobicContact CB-CD1 3.85Å; L390-F392 HydrophobicContact CB-CE1 4.02Å
391T96.2Very high97.5Very high74 Ų7466.7 Ų66.745%0.45432%0.324SS..  trans-108.3116.7171.260.90000110.1K348 N349K348-T391 WeakPolarHBondContact CE-OG1 3.47Å; N349-T391 PolarHBondContact ND2-O 2.71Å; N349-T391 VanDerWaalsContact ND2-O 3.12Å; N349-T391 PolarHBondContact OD1-N 3.04Å; N349-T391 PolarHBondContact OD1-OG1 3.42Å
392F93.1Very high97.5Very high163 Ų16364.2 Ų64.272%0.71531%0.313SS*.  trans-150.30-179.356.5-98.1000112.8L307 I345 L390L307-F392 HydrophobicContact CD1-CD1 4.03Å; L307-F392 HydrophobicContact CD1-CE1 3.83Å; L307-F392 HydrophobicContact CD1-CZ 4.29Å; L307-F392 HydrophobicContact CD2-CD1 4.38Å; L307-F392 HydrophobicContact CD2-CD2 4.07Å; L307-F392 HydrophobicContact CD2-CE1 4.02Å; L307-F392 HydrophobicContact CD2-CE2 3.68Å; L307-F392 HydrophobicContact CD2-CG 4.4Å; L307-F392 HydrophobicContact CD2-CZ 3.65Å; L307-F392 HydrophobicContact CG-CE1 4.01Å; L307-F392 HydrophobicContact CG-CE2 4.49Å; L307-F392 HydrophobicContact CG-CZ 3.96Å; I345-F392 HydrophobicContact CD1-CB 3.49Å; I345-F392 VanDerWaalsContact CD1-CB 3.49Å; I345-F392 HydrophobicContact CD1-CD1 4.39Å; I345-F392 HydrophobicContact CD1-CG 3.98Å; I345-F392 HydrophobicContact CG1-CB 3.68Å; I345-F392 HydrophobicContact CG2-CB 4.33Å; I345-F392 HydrophobicContact CG2-CD1 4.41Å; L390-F392 HydrophobicContact CB-CD1 3.85Å; L390-F392 HydrophobicContact CB-CE1 4.02Å

Retrieved 392 of 392 residues in 225.6 ms (Link to these results)

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