A0A087YFV9_POEFO Loading...

Aldehyde dehydrogenase

AlphaFold DB , UniProt , Accession A0A087YFV9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 507 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
1M82.8Confident93.1Very high141 Ų14181.4 Ų81.470%0.69537%0.369SS*.  0-49.60177.81786400110.1R3 Q4 L5M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.49Å; M1-Q4 WeakPolarHBondContact O-CB 3.45Å; M1-Q4 PolarHBondContact O-N 3.09Å; M1-L5 HydrophobicContact CG-CD1 4.25Å; M1-L5 PolarHBondContact O-N 3.47Å
2E87.3Confident93.5Very high33 Ų3375.2 Ų75.215%0.15434%0.343CS..Hα-helixtrans-46.2-47.6175.9-5572.4-159.900113.4Q4 L5 L6 V164 Q173 L174 L177E2-Q4 VanDerWaalsContact C-N 3.31Å; E2-Q4 PolarHBondContact O-N 3.15Å; E2-L5 PolarHBondContact O-N 2.85Å; E2-L6 PolarHBondContact O-N 2.87Å; E2-V164 HydrophobicContact CG-CG1 4.43Å; E2-Q173 HydrophobicContact CG-CB 4.31Å; E2-L174 HydrophobicContact CB-CD2 3.91Å; E2-L174 HydrophobicContact CB-CG 4.36Å; E2-L174 HydrophobicContact CG-CD2 4.19Å; E2-L174 HydrophobicContact CG-CG 4.17Å; E2-L177 HydrophobicContact CB-CD1 4.29Å
3R90.9Very high93.9Very high191 Ų19172 Ų7272%0.72133%0.328SS*.Hα-helixtrans-61.3-38.7178.7-176.3179.9-73-174.2-2.2112.5M1 Q7 L177M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.49Å; R3-Q7 WeakPolarHBondContact O-CB 3.49Å; R3-Q7 PolarHBondContact O-N 3.18Å; R3-L177 HydrophobicContact CB-CD2 4.31Å; R3-L177 HydrophobicContact CG-CD2 4.38Å
4Q92.6Very high94.2Very high148 Ų14875.2 Ų75.269%0.69236%0.355SS*.Hα-helixtrans-70.7-43.5-179.7-176.2179.5-3.300110.8M1 E2 L6 Q7 Q8M1-Q4 WeakPolarHBondContact O-CB 3.45Å; M1-Q4 PolarHBondContact O-N 3.09Å; E2-Q4 VanDerWaalsContact C-N 3.31Å; E2-Q4 PolarHBondContact O-N 3.15Å; Q4-L6 PolarHBondContact O-N 3.23Å; Q4-Q7 PolarHBondContact O-N 3.36Å; Q4-Q8 WeakPolarHBondContact O-CB 3.08Å; Q4-Q8 PolarHBondContact O-N 3.41Å
5L91.9Very high94.5Very high40 Ų4075.4 Ų75.421%0.20937%0.368CS..Hα-helixtrans-61.7-42.7175.8-71.3170.5000112M1 E2 Q7 Q8 A9 P162 V164M1-L5 HydrophobicContact CG-CD1 4.25Å; M1-L5 PolarHBondContact O-N 3.47Å; E2-L5 PolarHBondContact O-N 2.85Å; L5-Q7 VanDerWaalsContact C-N 3.33Å; L5-Q7 PolarHBondContact O-N 3.38Å; L5-Q8 PolarHBondContact O-N 2.93Å; L5-A9 PolarHBondContact O-N 3.47Å; L5-P162 HydrophobicContact CD2-CB 4.12Å; L5-V164 HydrophobicContact CD1-CG2 3.77Å
6L93.8Very high94.7Very high7 Ų771.8 Ų71.84%0.03736%0.356CS..Hα-helixtrans-62.8-42174.3177.960.2000111.8E2 Q4 Q8 A9 K10 V105 V134 L177 F179E2-L6 PolarHBondContact O-N 2.87Å; Q4-L6 PolarHBondContact O-N 3.23Å; L6-Q8 VanDerWaalsContact C-N 3.32Å; L6-Q8 PolarHBondContact O-N 3.24Å; L6-A9 PolarHBondContact O-N 2.97Å; L6-K10 HydrophobicContact CD1-CD 4.43Å; L6-K10 HydrophobicContact CD1-CG 4.29Å; L6-K10 HydrophobicContact CG-CD 4.24Å; L6-K10 HydrophobicContact CG-CG 4.5Å; L6-K10 WeakPolarHBondContact O-CB 3.37Å; L6-K10 WeakPolarHBondContact O-CG 3.31Å; L6-K10 PolarHBondContact O-N 3.2Å; L6-V105 HydrophobicContact CD1-CB 4.2Å; L6-V105 HydrophobicContact CD1-CG1 3.73Å; L6-V134 HydrophobicContact CD1-CG2 4.27Å; L6-L177 HydrophobicContact CB-CD1 4.14Å; L6-L177 HydrophobicContact CD2-CB 3.4Å; L6-L177 VanDerWaalsContact CD2-CB 3.4Å; L6-L177 HydrophobicContact CD2-CD1 3.71Å; L6-L177 HydrophobicContact CD2-CG 4.1Å; L6-F179 HydrophobicContact CD1-CD1 3.96Å; L6-F179 HydrophobicContact CD1-CE1 3.49Å; L6-F179 VanDerWaalsContact CD1-CE1 3.49Å; L6-F179 HydrophobicContact CD1-CZ 4.01Å; L6-F179 HydrophobicContact CD2-CE1 4.44Å; L6-F179 HydrophobicContact CD2-CE2 4.47Å; L6-F179 HydrophobicContact CD2-CZ 4.21Å
7Q95.9Very high94.8Very high98 Ų9872.3 Ų72.346%0.45835%0.353SS..Hα-helixtrans-62.2-42.8178.8-176.657.53400111.2R3 Q4 L5 K10 E11R3-Q7 WeakPolarHBondContact O-CB 3.49Å; R3-Q7 PolarHBondContact O-N 3.18Å; Q4-Q7 PolarHBondContact O-N 3.36Å; L5-Q7 VanDerWaalsContact C-N 3.33Å; L5-Q7 PolarHBondContact O-N 3.38Å; Q7-K10 WeakPolarHBondContact O-CB 3.39Å; Q7-K10 PolarHBondContact O-N 3.32Å; Q7-E11 WeakPolarHBondContact CG-OE1 3.31Å; Q7-E11 PolarHBondContact NE2-OE1 2.92Å; Q7-E11 WeakPolarHBondContact O-CG 3.39Å; Q7-E11 PolarHBondContact O-N 2.95Å
8Q96.1Very high94.9Very high66 Ų6668.3 Ų68.331%0.30833%0.334SS..Hα-helixtrans-60.6-45174.2177.5174.38.200112Q4 L5 L6 K10 E11 A12 D159Q4-Q8 WeakPolarHBondContact O-CB 3.08Å; Q4-Q8 PolarHBondContact O-N 3.41Å; L5-Q8 PolarHBondContact O-N 2.93Å; L6-Q8 VanDerWaalsContact C-N 3.32Å; L6-Q8 PolarHBondContact O-N 3.24Å; Q8-K10 VanDerWaalsContact C-N 3.33Å; Q8-K10 PolarHBondContact O-N 3.12Å; Q8-E11 PolarHBondContact O-N 3.21Å; Q8-A12 WeakPolarHBondContact O-CB 3.14Å; Q8-A12 PolarHBondContact O-N 2.83Å; Q8-D159 HydrophobicContact CG-CB 3.76Å; Q8-D159 PolarHBondContact NE2-OD1 3.42Å
9A97.5Very high95Very high0 Ų073.1 Ų73.10%035%0.348CS..Hα-helixtrans-63.2-37.217500000113.1L5 L6 F13 V105 A132 D159 P162L5-A9 PolarHBondContact O-N 3.47Å; L6-A9 PolarHBondContact O-N 2.97Å; A9-F13 WeakPolarHBondContact O-CB 3.47Å; A9-F13 PolarHBondContact O-N 3.48Å; A9-V105 HydrophobicContact CB-CG1 4.18Å; A9-A132 HydrophobicContact CB-CB 4.36Å; A9-D159 WeakPolarHBondContact CA-O 3.43Å; A9-D159 WeakPolarHBondContact CB-O 3.31Å; A9-P162 HydrophobicContact CB-CG 4.35Å
10K97.4Very high95.2Very high53 Ų5372.6 Ų72.623%0.2335%0.351CS..Hα-helixtrans-65.3-45.7174.2-76.3179.9177.2-178.50112.1L6 Q7 Q8 A12 F13 V14 V105 R178L6-K10 HydrophobicContact CD1-CD 4.43Å; L6-K10 HydrophobicContact CD1-CG 4.29Å; L6-K10 HydrophobicContact CG-CD 4.24Å; L6-K10 HydrophobicContact CG-CG 4.5Å; L6-K10 WeakPolarHBondContact O-CB 3.37Å; L6-K10 WeakPolarHBondContact O-CG 3.31Å; L6-K10 PolarHBondContact O-N 3.2Å; Q7-K10 WeakPolarHBondContact O-CB 3.39Å; Q7-K10 PolarHBondContact O-N 3.32Å; Q8-K10 VanDerWaalsContact C-N 3.33Å; Q8-K10 PolarHBondContact O-N 3.12Å; K10-A12 VanDerWaalsContact C-N 3.33Å; K10-F13 PolarHBondContact O-N 2.97Å; K10-V14 WeakPolarHBondContact O-CB 3.28Å; K10-V14 VanDerWaalsContact O-CG2 3.25Å; K10-V14 WeakPolarHBondContact O-CG2 3.4Å; K10-V14 PolarHBondContact O-N 2.98Å; K10-V105 HydrophobicContact CB-CG2 4.38Å; K10-V105 HydrophobicContact CG-CG2 3.53Å; K10-R178 VanDerWaalsContact CE-O 3.3Å; K10-R178 WeakPolarHBondContact CE-O 3.49Å; K10-R178 PolarHBondContact NZ-O 2.88Å
11E98Very high95.4Very high118 Ų11871.6 Ų71.655%0.55135%0.347SS*.Hα-helixtrans-61.8-43.7177-74.3166.7-167.700111.1Q7 Q8 F13 V14 S15Q7-E11 WeakPolarHBondContact CG-OE1 3.31Å; Q7-E11 PolarHBondContact NE2-OE1 2.92Å; Q7-E11 WeakPolarHBondContact O-CG 3.39Å; Q7-E11 PolarHBondContact O-N 2.95Å; Q8-E11 PolarHBondContact O-N 3.21Å; E11-F13 PolarHBondContact O-N 3.33Å; E11-V14 PolarHBondContact O-N 3.39Å; E11-S15 PolarHBondContact O-N 3.15Å
12A98Very high96.1Very high7 Ų770.9 Ų70.96%0.05834%0.342CS..Hα-helixtrans-61.8-42.6175.100000112.4Q8 K10 S15 D159 L160Q8-A12 WeakPolarHBondContact O-CB 3.14Å; Q8-A12 PolarHBondContact O-N 2.83Å; K10-A12 VanDerWaalsContact C-N 3.33Å; A12-S15 WeakPolarHBondContact O-CB 3.38Å; A12-S15 PolarHBondContact O-N 3.29Å; A12-S15 PolarHBondContact O-OG 3.39Å; A12-D159 HydrophobicContact CB-CB 3.83Å; A12-L160 HydrophobicContact CB-CD2 3.67Å; A12-L160 HydrophobicContact CB-CG 3.89Å
13F98.5Very high96.7Very high34 Ų3471 Ų7115%0.14934%0.342CS..Hα-helixtrans-63.3-47.8174.4175.4-103.8000112.1A9 K10 E11 S15 G16 P102 G104 A132A9-F13 WeakPolarHBondContact O-CB 3.47Å; A9-F13 PolarHBondContact O-N 3.48Å; K10-F13 PolarHBondContact O-N 2.97Å; E11-F13 PolarHBondContact O-N 3.33Å; F13-S15 PolarHBondContact O-N 2.87Å; F13-G16 PolarHBondContact O-N 3.1Å; F13-P102 HydrophobicContact CE2-CB 3.89Å; F13-P102 HydrophobicContact CE2-CG 3.87Å; F13-P102 HydrophobicContact CZ-CB 4.27Å; F13-P102 HydrophobicContact CZ-CG 4.06Å; F13-G104 VanDerWaalsContact CZ-CA 3.5Å; F13-A132 HydrophobicContact CB-CB 4.02Å
14V98.3Very high97Very high117 Ų11762.7 Ų62.771%0.70931%0.311SS*.Hα-helixtrans-63.3-29.1-178.7169.30000112.1K10 E11 G16K10-V14 WeakPolarHBondContact O-CB 3.28Å; K10-V14 VanDerWaalsContact O-CG2 3.25Å; K10-V14 WeakPolarHBondContact O-CG2 3.4Å; K10-V14 PolarHBondContact O-N 2.98Å; E11-V14 PolarHBondContact O-N 3.39Å; V14-G16 PolarHBondContact O-N 2.97Å
15S98.1Very high97.3Very high78 Ų7858.1 Ų58.155%0.54529%0.291SS..THydrogen-bonded Turntrans-56.7-21172.181.10000113.5E11 A12 F13 R17E11-S15 PolarHBondContact O-N 3.15Å; A12-S15 WeakPolarHBondContact O-CB 3.38Å; A12-S15 PolarHBondContact O-N 3.29Å; A12-S15 PolarHBondContact O-OG 3.39Å; F13-S15 PolarHBondContact O-N 2.87Å; S15-R17 VanDerWaalsContact C-N 3.29Å; S15-R17 PolarHBondContact O-N 3.46Å; S15-R17 WeakPolarHBondContact OG-CG 3.37Å; S15-R17 PolarHBondContact OG-N 3.02Å
16G97.5Very high97.7Very high18 Ų1861.9 Ų61.919%0.18631%0.307CS..THydrogen-bonded Turntrans81.40.8179.400000114.3F13 V14 A18 R19F13-G16 PolarHBondContact O-N 3.1Å; V14-G16 PolarHBondContact O-N 2.97Å; G16-A18 PolarHBondContact O-N 3.32Å; G16-R19 VanDerWaalsContact O-CB 3.25Å; G16-R19 WeakPolarHBondContact O-CB 3.29Å; G16-R19 WeakPolarHBondContact O-CG 3.4Å; G16-R19 PolarHBondContact O-N 2.8Å
17R96.3Very high97.9Very high80 Ų8062.4 Ų62.430%0.30231%0.31SS..THydrogen-bonded Turntrans-63.1-24.3-176.474.9-177.2177.7-164.4-0.4114.6S15 R19 P20 F23 D157 D159 L160S15-R17 VanDerWaalsContact C-N 3.29Å; S15-R17 PolarHBondContact O-N 3.46Å; S15-R17 WeakPolarHBondContact OG-CG 3.37Å; S15-R17 PolarHBondContact OG-N 3.02Å; R17-R19 VanDerWaalsContact C-N 3.3Å; R17-P20 WeakPolarHBondContact O-CD 3.33Å; R17-F23 HydrophobicContact CG-CZ 4.38Å; R17-F23 WeakPolarHBondContact O-CB 3.35Å; R17-F23 VanDerWaalsContact O-CD1 3.31Å; R17-F23 WeakPolarHBondContact O-CD1 3.38Å; R17-F23 WeakPolarHBondContact O-CG 3.25Å; R17-D157 IonicContact CZ-OD1 2.84Å; R17-D157 IonicContact CZ-OD2 2.66Å; R17-D157 IonicContact NE-OD1 3.55Å; R17-D157 IonicContact NE-OD2 3.69Å; R17-D157 PolarHBondContact NE-OD2 2.82Å; R17-D157 IonicContact NH1-OD2 2.84Å; R17-D157 IonicContact NH2-OD1 2.86Å; R17-D157 PolarHBondContact NH2-OD1 3.04Å; R17-D157 IonicContact NH2-OD2 3.93Å; R17-D157 PolarHBondContact NH2-OD2 3.46Å; R17-D159 IonicContact CZ-OD2 3.12Å; R17-D159 IonicContact NH1-OD2 2.71Å; R17-D159 VanDerWaalsContact NH2-CB 3.27Å; R17-D159 IonicContact NH2-OD2 3.64Å; R17-D159 PolarHBondContact NH2-OD2 3.02Å; R17-L160 HydrophobicContact CG-CD1 4.02Å
18A97.4Very high98.1Very high1 Ų157.8 Ų57.81%0.00829%0.288CS..THydrogen-bonded Turntrans-80-6.7174.400000113.9G16 F23 R24 L160G16-A18 PolarHBondContact O-N 3.32Å; A18-F23 HydrophobicContact CB-CD1 4.44Å; A18-F23 HydrophobicContact CB-CE1 4.39Å; A18-R24 WeakPolarHBondContact O-CG 3.44Å; A18-R24 PolarHBondContact O-NE 2.91Å; A18-L160 HydrophobicContact CB-CD1 4.06Å; A18-L160 HydrophobicContact CB-CD2 4.28Å
19R97.3Very high98.2Very high159 Ų15958.8 Ų58.860%0.629%0.293SS*.SBendtrans-72.9-46.7-177.4-64.6178.9175.9-127.8-2.2113.8G16 R17 R24G16-R19 VanDerWaalsContact O-CB 3.25Å; G16-R19 WeakPolarHBondContact O-CB 3.29Å; G16-R19 WeakPolarHBondContact O-CG 3.4Å; G16-R19 PolarHBondContact O-N 2.8Å; R17-R19 VanDerWaalsContact C-N 3.3Å; R19-R24 PolarHBondContact O-NE 3.11Å; R19-R24 PolarHBondContact O-NH2 3.26Å
20P98.5Very high98.3Very high62 Ų6259.1 Ų59.140%0.40330%0.295SS..SBendtrans-61.3140.8-179.4-22.535.1000111.9R17 E22 F23 R24R17-P20 WeakPolarHBondContact O-CD 3.33Å; P20-E22 WeakPolarHBondContact CB-OE2 3.26Å; P20-E22 PolarHBondContact O-N 3.01Å; P20-F23 PolarHBondContact O-N 3.46Å; P20-R24 PolarHBondContact O-N 2.97Å
21L98.6Very high98.3Very high53 Ų5356.6 Ų56.628%0.27728%0.284SS..Hα-helixtrans-65.1-34.7-179.6-60.3-176.6000111.1F23 R24 L25 L76 A77 A80L21-F23 VanDerWaalsContact C-N 3.31Å; L21-F23 PolarHBondContact O-N 3.18Å; L21-R24 PolarHBondContact O-N 2.88Å; L21-R24 VanDerWaalsContact O-N 3.16Å; L21-L25 WeakPolarHBondContact O-CG 3.47Å; L21-L25 PolarHBondContact O-N 3.39Å; L21-L76 HydrophobicContact CB-CD2 4.38Å; L21-L76 HydrophobicContact CD2-CD1 4.4Å; L21-L76 HydrophobicContact CD2-CD2 4.33Å; L21-L76 HydrophobicContact CD2-CG 4.11Å; L21-A77 HydrophobicContact CD1-CB 4.27Å; L21-A80 HydrophobicContact CD2-CB 3.67Å
22E98.7Very high98.4Very high126 Ų12652.6 Ų52.659%0.58927%0.265SS*.Hα-helixtrans-59.3-42.7179.1-60.175.3-164.800111.1P20 L25 Q26P20-E22 WeakPolarHBondContact CB-OE2 3.26Å; P20-E22 PolarHBondContact O-N 3.01Å; E22-L25 PolarHBondContact O-N 3.23Å; E22-Q26 VanDerWaalsContact O-CG 3.27Å; E22-Q26 WeakPolarHBondContact O-CG 3.41Å; E22-Q26 PolarHBondContact O-N 3.17Å
23F98.8Very high98.4Very high34 Ų3458.6 Ų58.615%0.14929%0.287CS..Hα-helixtrans-64.6-44.5176.7-178.4-91.1000111.1R17 A18 P20 L21 L25 Q26 Q27 D157 L160R17-F23 HydrophobicContact CG-CZ 4.38Å; R17-F23 WeakPolarHBondContact O-CB 3.35Å; R17-F23 VanDerWaalsContact O-CD1 3.31Å; R17-F23 WeakPolarHBondContact O-CD1 3.38Å; R17-F23 WeakPolarHBondContact O-CG 3.25Å; A18-F23 HydrophobicContact CB-CD1 4.44Å; A18-F23 HydrophobicContact CB-CE1 4.39Å; P20-F23 PolarHBondContact O-N 3.46Å; L21-F23 VanDerWaalsContact C-N 3.31Å; L21-F23 PolarHBondContact O-N 3.18Å; F23-L25 VanDerWaalsContact C-N 3.34Å; F23-L25 PolarHBondContact O-N 3.35Å; F23-Q26 WeakPolarHBondContact O-CB 3.44Å; F23-Q26 PolarHBondContact O-N 2.79Å; F23-Q27 HydrophobicContact CD1-CG 4.03Å; F23-Q27 HydrophobicContact CE1-CG 3.59Å; F23-Q27 HydrophobicContact CZ-CG 3.93Å; F23-Q27 WeakPolarHBondContact O-CG 3.45Å; F23-Q27 PolarHBondContact O-N 3.14Å; F23-Q27 VanDerWaalsContact O-N 3.07Å; F23-D157 HydrophobicContact CZ-CB 4.08Å; F23-L160 HydrophobicContact CE1-CD1 3.43Å; F23-L160 VanDerWaalsContact CE1-CD1 3.43Å; F23-L160 HydrophobicContact CZ-CD1 3.54Å
24R98.8Very high98.4Very high18 Ų1857 Ų577%0.06828%0.28CS..Hα-helixtrans-61.5-43178.4-57.6179.3-156.9-167.23.6111.3A18 R19 P20 L21 Q26 Q27 L28 L76 I127 A128 A129 G130A18-R24 WeakPolarHBondContact O-CG 3.44Å; A18-R24 PolarHBondContact O-NE 2.91Å; R19-R24 PolarHBondContact O-NE 3.11Å; R19-R24 PolarHBondContact O-NH2 3.26Å; P20-R24 PolarHBondContact O-N 2.97Å; L21-R24 PolarHBondContact O-N 2.88Å; L21-R24 VanDerWaalsContact O-N 3.16Å; R24-Q26 PolarHBondContact O-N 3.44Å; R24-Q27 PolarHBondContact O-N 3.05Å; R24-L28 WeakPolarHBondContact O-CG 3.29Å; R24-L28 PolarHBondContact O-N 3.06Å; R24-L76 HydrophobicContact CB-CD2 3.83Å; R24-I127 WeakPolarHBondContact CD-O 3.48Å; R24-I127 WeakPolarHBondContact CG-O 3.41Å; R24-A128 VanDerWaalsContact CD-O 3.27Å; R24-A128 WeakPolarHBondContact CD-O 3.47Å; R24-A128 PolarHBondContact NH1-O 3.11Å; R24-A129 PolarHBondContact NH1-O 3.33Å; R24-G130 VanDerWaalsContact CZ-CA 3.46Å
25L98.9Very high98.4Very high52 Ų5251.4 Ų51.427%0.27225%0.246SC..Hα-helixtrans-60.4-42.5174.8-69.5172.8000112L21 E22 F23 Q27 L28 H29 I73 L76L21-L25 WeakPolarHBondContact O-CG 3.47Å; L21-L25 PolarHBondContact O-N 3.39Å; E22-L25 PolarHBondContact O-N 3.23Å; F23-L25 VanDerWaalsContact C-N 3.34Å; F23-L25 PolarHBondContact O-N 3.35Å; L25-Q27 VanDerWaalsContact C-N 3.33Å; L25-Q27 PolarHBondContact O-N 2.7Å; L25-L28 PolarHBondContact O-N 3.17Å; L25-H29 PolarHBondContact O-CD2 3.48Å; L25-H29 PolarHBondContact O-N 2.94Å; L25-I73 HydrophobicContact CD2-CB 4.3Å; L25-I73 HydrophobicContact CD2-CG1 4.31Å; L25-I73 HydrophobicContact CD2-CG2 4.14Å; L25-L76 HydrophobicContact CD2-CB 4.37Å; L25-L76 HydrophobicContact CD2-CD2 3.75Å; L25-L76 HydrophobicContact CG-CD2 3.8Å
26Q98.8Very high98.3Very high119 Ų11953 Ų5356%0.55625%0.246SC*.Hα-helixtrans-59.3-43.9176.1-72.8167.81.800111.9E22 F23 R24 A30E22-Q26 VanDerWaalsContact O-CG 3.27Å; E22-Q26 WeakPolarHBondContact O-CG 3.41Å; E22-Q26 PolarHBondContact O-N 3.17Å; F23-Q26 WeakPolarHBondContact O-CB 3.44Å; F23-Q26 PolarHBondContact O-N 2.79Å; R24-Q26 PolarHBondContact O-N 3.44Å; Q26-A30 WeakPolarHBondContact O-CB 3.41Å; Q26-A30 PolarHBondContact O-N 3.42Å
27Q98.9Very high98.4Very high18 Ų1857 Ų578%0.08426%0.26CS..Hα-helixtrans-66.1-42177.3-60.9-57.5-57.100111.7F23 R24 L25 A30 L31 I127 L156 Y161F23-Q27 HydrophobicContact CD1-CG 4.03Å; F23-Q27 HydrophobicContact CE1-CG 3.59Å; F23-Q27 HydrophobicContact CZ-CG 3.93Å; F23-Q27 WeakPolarHBondContact O-CG 3.45Å; F23-Q27 PolarHBondContact O-N 3.14Å; F23-Q27 VanDerWaalsContact O-N 3.07Å; R24-Q27 PolarHBondContact O-N 3.05Å; L25-Q27 VanDerWaalsContact C-N 3.33Å; L25-Q27 PolarHBondContact O-N 2.7Å; Q27-A30 PolarHBondContact O-N 3.44Å; Q27-L31 PolarHBondContact O-N 3.42Å; Q27-I127 HydrophobicContact CB-CG2 3.73Å; Q27-L156 HydrophobicContact CB-CD2 4.36Å; Q27-L156 VanDerWaalsContact O-CD2 3.25Å; Q27-L156 WeakPolarHBondContact O-CD2 3.37Å; Q27-Y161 HydrophobicContact CB-CE2 4.43Å; Q27-Y161 HydrophobicContact CG-CE2 3.92Å
28L98.9Very high98.5Very high0 Ų055.6 Ų55.60%026%0.256CS..Hα-helixtrans-63-44176.4-70.2171.2000112.2R24 L25 A30 L31 Q32 I69 A72 I73 V124 I127R24-L28 WeakPolarHBondContact O-CG 3.29Å; R24-L28 PolarHBondContact O-N 3.06Å; L25-L28 PolarHBondContact O-N 3.17Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A30 PolarHBondContact O-N 3.47Å; L28-L31 PolarHBondContact O-N 2.79Å; L28-Q32 PolarHBondContact O-N 2.92Å; L28-I69 HydrophobicContact CB-CG2 4.31Å; L28-I69 WeakPolarHBondContact O-CG2 3.42Å; L28-A72 HydrophobicContact CD1-CB 3.98Å; L28-A72 HydrophobicContact CD2-CB 4.46Å; L28-I73 HydrophobicContact CB-CD1 4.14Å; L28-I73 HydrophobicContact CB-CG1 3.79Å; L28-I73 HydrophobicContact CD1-CG1 4.12Å; L28-V124 HydrophobicContact CD2-CB 4.48Å; L28-V124 HydrophobicContact CD2-CG1 3.94Å; L28-I127 HydrophobicContact CD2-CB 4.24Å; L28-I127 HydrophobicContact CD2-CG2 3.97Å; L28-I127 HydrophobicContact CG-CG2 3.87Å
29H98.9Very high98.5Very high88 Ų8859.3 Ų59.341%0.40727%0.273SS..Hα-helixtrans-64.6-36.6173.8-77-59.5000112.6L25 Q32 R33L25-H29 PolarHBondContact O-CD2 3.48Å; L25-H29 PolarHBondContact O-N 2.94Å; H29-Q32 WeakPolarHBondContact O-CB 3.43Å; H29-Q32 PolarHBondContact O-N 3.48Å; H29-R33 WeakPolarHBondContact O-CG 3.15Å; H29-R33 PolarHBondContact O-N 2.87Å
30A98.9Very high98.5Very high7 Ų756.6 Ų56.66%0.05827%0.274CS..Hα-helixtrans-66.8-39.3175.200000112.1Q26 Q27 L28 R33 M34 Y155 L156Q26-A30 WeakPolarHBondContact O-CB 3.41Å; Q26-A30 PolarHBondContact O-N 3.42Å; Q27-A30 PolarHBondContact O-N 3.44Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A30 PolarHBondContact O-N 3.47Å; A30-R33 PolarHBondContact O-N 3.03Å; A30-M34 PolarHBondContact O-N 3.33Å; A30-Y155 VanDerWaalsContact CB-O 3.27Å; A30-Y155 WeakPolarHBondContact CB-O 3.34Å; A30-L156 HydrophobicContact CB-CD2 3.98Å
31L98.8Very high98.5Very high0 Ų057.1 Ų57.10%027%0.271CS..Hα-helixtrans-63.5-42172.9-172.960.2000111.5Q27 L28 R33 M34 I35 I69 L120 V124 I127 L152 L156Q27-L31 PolarHBondContact O-N 3.42Å; L28-L31 PolarHBondContact O-N 2.79Å; L31-R33 VanDerWaalsContact C-N 3.35Å; L31-R33 PolarHBondContact O-N 3.37Å; L31-M34 HydrophobicContact CD1-CE 3.57Å; L31-M34 HydrophobicContact CD1-SD 4.39Å; L31-M34 WeakPolarHBondContact O-CB 3.4Å; L31-M34 PolarHBondContact O-N 2.97Å; L31-I35 WeakPolarHBondContact O-CG1 3.3Å; L31-I35 PolarHBondContact O-N 3.34Å; L31-I35 VanDerWaalsContact O-N 3.12Å; L31-I69 HydrophobicContact CB-CD1 4.3Å; L31-I69 HydrophobicContact CD2-CD1 4.02Å; L31-I69 HydrophobicContact CD2-CG1 4.29Å; L31-I69 HydrophobicContact CG-CD1 3.86Å; L31-L120 HydrophobicContact CD1-CD1 4.42Å; L31-L120 HydrophobicContact CD1-CD2 4.28Å; L31-V124 HydrophobicContact CD2-CG2 3.67Å; L31-I127 HydrophobicContact CD2-CD1 4.45Å; L31-L152 HydrophobicContact CD1-CD1 4.2Å; L31-L156 HydrophobicContact CB-CD2 4.16Å; L31-L156 HydrophobicContact CD1-CD1 4.43Å
32Q98.6Very high98.5Very high33 Ų3354.6 Ų54.615%0.15426%0.258CS..Hα-helixtrans-58.3-46.8174.6-169.9176.225.400111.6L28 H29 M34 I35 M36 I69L28-Q32 PolarHBondContact O-N 2.92Å; H29-Q32 WeakPolarHBondContact O-CB 3.43Å; H29-Q32 PolarHBondContact O-N 3.48Å; Q32-M34 VanDerWaalsContact C-N 3.33Å; Q32-M34 PolarHBondContact O-N 2.78Å; Q32-I35 PolarHBondContact O-N 2.83Å; Q32-M36 HydrophobicContact CG-SD 4.03Å; Q32-M36 WeakPolarHBondContact O-CG 3.4Å; Q32-M36 PolarHBondContact O-N 3.14Å; Q32-M36 VanDerWaalsContact O-N 3.08Å; Q32-I69 HydrophobicContact CB-CD1 4.45Å; Q32-I69 HydrophobicContact CB-CG2 3.95Å; Q32-I69 HydrophobicContact CG-CG2 4.48Å
33R98.7Very high98.5Very high133 Ų13349 Ų4950%0.50223%0.233SC..Hα-helixtrans-59.8-42.5175.8-73.5-169.6-60.4136.40.3112H29 A30 L31 I35 M36 E37 Y155H29-R33 WeakPolarHBondContact O-CG 3.15Å; H29-R33 PolarHBondContact O-N 2.87Å; A30-R33 PolarHBondContact O-N 3.03Å; L31-R33 VanDerWaalsContact C-N 3.35Å; L31-R33 PolarHBondContact O-N 3.37Å; R33-I35 VanDerWaalsContact C-N 3.33Å; R33-I35 PolarHBondContact O-N 3.33Å; R33-M36 PolarHBondContact O-N 2.88Å; R33-E37 VanDerWaalsContact O-CB 3.24Å; R33-E37 WeakPolarHBondContact O-CB 3.29Å; R33-E37 VanDerWaalsContact O-CG 3.24Å; R33-E37 WeakPolarHBondContact O-CG 3.41Å; R33-E37 PolarHBondContact O-N 3.18Å; R33-Y155 HydrophobicContact CB-CD1 4.46Å; R33-Y155 HydrophobicContact CB-CE1 4.39Å
34M98.7Very high98.4Very high0 Ų050.7 Ų50.70%025%0.246CC..Hα-helixtrans-55.9-48.1176.4-173.3-172.179.800111.5A30 L31 Q32 K38 W116 L120 L148 L151 L152 Y155A30-M34 PolarHBondContact O-N 3.33Å; L31-M34 HydrophobicContact CD1-CE 3.57Å; L31-M34 HydrophobicContact CD1-SD 4.39Å; L31-M34 WeakPolarHBondContact O-CB 3.4Å; L31-M34 PolarHBondContact O-N 2.97Å; Q32-M34 VanDerWaalsContact C-N 3.33Å; Q32-M34 PolarHBondContact O-N 2.78Å; M34-K38 WeakPolarHBondContact O-CB 3.27Å; M34-K38 WeakPolarHBondContact O-CG 3.35Å; M34-K38 PolarHBondContact O-N 3.06Å; M34-W116 HydrophobicContact CE-CZ3 4.34Å; M34-L120 HydrophobicContact CE-CD1 3.99Å; M34-L148 HydrophobicContact CE-CD1 4.46Å; M34-L151 HydrophobicContact CG-CB 4.34Å; M34-L151 HydrophobicContact SD-CB 3.93Å; M34-L152 HydrophobicContact CE-CD1 4.26Å; M34-L152 HydrophobicContact SD-CD1 4.09Å; M34-Y155 HydrophobicContact CB-CD1 3.7Å; M34-Y155 HydrophobicContact CB-CD2 3.77Å; M34-Y155 HydrophobicContact CB-CE1 4.01Å; M34-Y155 HydrophobicContact CB-CE2 4.08Å; M34-Y155 HydrophobicContact CB-CG 3.58Å; M34-Y155 HydrophobicContact CG-CD1 4.39Å; M34-Y155 HydrophobicContact CG-CD2 3.54Å; M34-Y155 HydrophobicContact CG-CE2 3.75Å; M34-Y155 HydrophobicContact CG-CG 3.91Å; M34-Y155 HydrophobicContact SD-CD2 4.15Å
35I98.1Very high98.4Very high1 Ų150.1 Ų50.11%0.00525%0.245CC..Hα-helixtrans-64.4-45.6-178.1-62.1-66.2000111.1L31 Q32 R33 E39 I42 L62 I65 E66 L120L31-I35 WeakPolarHBondContact O-CG1 3.3Å; L31-I35 PolarHBondContact O-N 3.34Å; L31-I35 VanDerWaalsContact O-N 3.12Å; Q32-I35 PolarHBondContact O-N 2.83Å; R33-I35 VanDerWaalsContact C-N 3.33Å; R33-I35 PolarHBondContact O-N 3.33Å; I35-E39 PolarHBondContact O-N 2.85Å; I35-E39 VanDerWaalsContact O-N 3.15Å; I35-I42 HydrophobicContact CD1-CD1 4.16Å; I35-L62 HydrophobicContact CG2-CB 4.15Å; I35-L62 HydrophobicContact CG2-CD2 4.45Å; I35-I65 HydrophobicContact CD1-CG2 4.32Å; I35-I65 HydrophobicContact CG1-CG2 4.17Å; I35-E66 HydrophobicContact CG2-CG 4.16Å; I35-L120 HydrophobicContact CD1-CD1 3.64Å
36M97.3Very high98.4Very high112 Ų11247.6 Ų47.655%0.55223%0.232SC*.Hα-helixtrans-67.3-43.2179.8-66.6175.264.800112.7Q32 R33 K38Q32-M36 HydrophobicContact CG-SD 4.03Å; Q32-M36 WeakPolarHBondContact O-CG 3.4Å; Q32-M36 PolarHBondContact O-N 3.14Å; Q32-M36 VanDerWaalsContact O-N 3.08Å; R33-M36 PolarHBondContact O-N 2.88Å; M36-K38 VanDerWaalsContact C-N 3.31Å; M36-K38 PolarHBondContact O-N 3.46Å
37E98.4Very high98.3Very high100 Ų10046.3 Ų46.347%0.46723%0.225SC..Hα-helixtrans-74.9-21.6-177.6-69.6172.6-163.100112.9R33 Y155R33-E37 VanDerWaalsContact O-CB 3.24Å; R33-E37 WeakPolarHBondContact O-CB 3.29Å; R33-E37 VanDerWaalsContact O-CG 3.24Å; R33-E37 WeakPolarHBondContact O-CG 3.41Å; R33-E37 PolarHBondContact O-N 3.18Å; E37-Y155 VanDerWaalsContact OE2-CE1 3.26Å; E37-Y155 WeakPolarHBondContact OE2-CE1 3.32Å; E37-Y155 PolarHBondContact OE2-OH 3.04Å
38K98.2Very high98.2Very high51 Ų5151.6 Ų51.622%0.22225%0.249CC..THydrogen-bonded Turntrans-117.313.9-172.8-56.3-63.8175.5-160.10114.9M34 M36 T40 E41 I42 L151M34-K38 WeakPolarHBondContact O-CB 3.27Å; M34-K38 WeakPolarHBondContact O-CG 3.35Å; M34-K38 PolarHBondContact O-N 3.06Å; M36-K38 VanDerWaalsContact C-N 3.31Å; M36-K38 PolarHBondContact O-N 3.46Å; K38-T40 VanDerWaalsContact C-N 3.25Å; K38-T40 PolarHBondContact O-N 3Å; K38-E41 WeakPolarHBondContact CA-OE2 3.43Å; K38-E41 WeakPolarHBondContact CD-OE1 3.24Å; K38-E41 IonicContact NZ-OE1 2.77Å; K38-E41 PolarHBondContact NZ-OE1 3.47Å; K38-E41 PolarHBondContact O-N 3.07Å; K38-I42 HydrophobicContact CB-CD1 4.2Å; K38-I42 HydrophobicContact CB-CG1 4.44Å; K38-I42 WeakPolarHBondContact O-CB 3.23Å; K38-I42 WeakPolarHBondContact O-CD1 3.42Å; K38-I42 WeakPolarHBondContact O-CG1 3.33Å; K38-I42 PolarHBondContact O-N 3.13Å; K38-L151 HydrophobicContact CB-CD1 3.86Å; K38-L151 HydrophobicContact CD-CD1 4.43Å; K38-L151 HydrophobicContact CD-CD2 4Å; K38-L151 HydrophobicContact CG-CD1 3.82Å; K38-L151 HydrophobicContact CG-CD2 3.96Å
39E97.8Very high98.2Very high79 Ų7952.3 Ų52.337%0.36925%0.253SS..Hα-helixtrans-51.9-42.9179.1178.7175.9151.100112.8I35 I42 S43 P58 L62I35-E39 PolarHBondContact O-N 2.85Å; I35-E39 VanDerWaalsContact O-N 3.15Å; E39-I42 PolarHBondContact O-N 2.66Å; E39-S43 WeakPolarHBondContact O-CB 3.39Å; E39-S43 PolarHBondContact O-N 2.92Å; E39-S43 PolarHBondContact O-OG 3.17Å; E39-P58 HydrophobicContact CG-CG 4.49Å; E39-P58 WeakPolarHBondContact OE1-CG 3.44Å; E39-L62 HydrophobicContact CB-CD1 4.32Å; E39-L62 HydrophobicContact CG-CD1 3.78Å
40T97.7Very high98.1Very high102 Ų10248.1 Ų48.163%0.62623%0.234SC*.Hα-helixtrans-67.7-46.6-178.5-580000111.5K38 I42 S43 T44K38-T40 VanDerWaalsContact C-N 3.25Å; K38-T40 PolarHBondContact O-N 3Å; T40-I42 VanDerWaalsContact C-N 3.33Å; T40-I42 PolarHBondContact O-N 2.94Å; T40-S43 PolarHBondContact O-N 3.47Å; T40-T44 WeakPolarHBondContact O-CB 3.34Å; T40-T44 PolarHBondContact O-N 3.2Å; T40-T44 PolarHBondContact O-OG1 3.33Å
41E98.5Very high98Very high73 Ų7349.5 Ų49.534%0.34124%0.243SC..Hα-helixtrans-64.1-40.2177.9-64.595.9133.500111.3K38 T44 A45 L147K38-E41 WeakPolarHBondContact CA-OE2 3.43Å; K38-E41 WeakPolarHBondContact CD-OE1 3.24Å; K38-E41 IonicContact NZ-OE1 2.77Å; K38-E41 PolarHBondContact NZ-OE1 3.47Å; K38-E41 PolarHBondContact O-N 3.07Å; E41-T44 PolarHBondContact O-N 2.96Å; E41-A45 PolarHBondContact O-N 3.08Å; E41-L147 HydrophobicContact CB-CD1 4.47Å; E41-L147 HydrophobicContact CB-CD2 3.93Å; E41-L147 WeakPolarHBondContact O-CD2 3.34Å
42I98.4Very high97.8Very high0 Ų049.8 Ų49.80%024%0.244CC..Hα-helixtrans-62.6-47.7175.8-68.1165.4000110.8I35 K38 E39 T40 T44 A45 L46 T57 L62 W116 L147I35-I42 HydrophobicContact CD1-CD1 4.16Å; K38-I42 HydrophobicContact CB-CD1 4.2Å; K38-I42 HydrophobicContact CB-CG1 4.44Å; K38-I42 WeakPolarHBondContact O-CB 3.23Å; K38-I42 WeakPolarHBondContact O-CD1 3.42Å; K38-I42 WeakPolarHBondContact O-CG1 3.33Å; K38-I42 PolarHBondContact O-N 3.13Å; E39-I42 PolarHBondContact O-N 2.66Å; T40-I42 VanDerWaalsContact C-N 3.33Å; T40-I42 PolarHBondContact O-N 2.94Å; I42-T44 VanDerWaalsContact C-N 3.28Å; I42-T44 PolarHBondContact O-N 2.81Å; I42-A45 PolarHBondContact O-N 3.09Å; I42-L46 HydrophobicContact CG2-CD1 4.2Å; I42-L46 PolarHBondContact O-N 2.91Å; I42-T57 HydrophobicContact CG2-CG2 4.39Å; I42-L62 HydrophobicContact CD1-CD2 4.44Å; I42-L62 HydrophobicContact CG2-CD1 4.38Å; I42-L62 HydrophobicContact CG2-CD2 3.85Å; I42-W116 HydrophobicContact CB-CZ2 4.37Å; I42-W116 HydrophobicContact CD1-CD2 4.45Å; I42-W116 HydrophobicContact CD1-CE3 4.09Å; I42-W116 HydrophobicContact CD1-CH2 4.31Å; I42-W116 HydrophobicContact CD1-CZ3 4.01Å; I42-W116 HydrophobicContact CG1-CD2 4.22Å; I42-W116 HydrophobicContact CG1-CE3 4.18Å; I42-W116 HydrophobicContact CG1-CH2 3.74Å; I42-W116 HydrophobicContact CG1-CZ2 3.76Å; I42-W116 HydrophobicContact CG1-CZ3 3.94Å; I42-W116 HydrophobicContact CG2-CD2 3.84Å; I42-W116 HydrophobicContact CG2-CG 3.97Å; I42-W116 HydrophobicContact CG2-CZ2 4.22Å; I42-L147 HydrophobicContact CG1-CD2 4.28Å
43S97.9Very high97.6Very high9 Ų948.5 Ų48.56%0.06324%0.239CC..Hα-helixtrans-61.7-38177.4-60.50000111.9E39 T40 L46 K47 T57E39-S43 WeakPolarHBondContact O-CB 3.39Å; E39-S43 PolarHBondContact O-N 2.92Å; E39-S43 PolarHBondContact O-OG 3.17Å; T40-S43 PolarHBondContact O-N 3.47Å; S43-L46 PolarHBondContact O-N 3.33Å; S43-K47 WeakPolarHBondContact O-CB 3.44Å; S43-K47 PolarHBondContact O-N 3.34Å; S43-T57 WeakPolarHBondContact OG-CG2 3.45Å
44T98.2Very high97.2Very high70 Ų7047.7 Ų47.743%0.42924%0.241SC..Hα-helixtrans-64.4-44.3175.4-58.70000111.4T40 E41 I42 L46 K47 Q48T40-T44 WeakPolarHBondContact O-CB 3.34Å; T40-T44 PolarHBondContact O-N 3.2Å; T40-T44 PolarHBondContact O-OG1 3.33Å; E41-T44 PolarHBondContact O-N 2.96Å; I42-T44 VanDerWaalsContact C-N 3.28Å; I42-T44 PolarHBondContact O-N 2.81Å; T44-L46 PolarHBondContact O-N 3.05Å; T44-K47 PolarHBondContact O-N 3.12Å; T44-Q48 WeakPolarHBondContact O-CG 3.45Å; T44-Q48 PolarHBondContact O-N 3.25Å
45A98.3Very high97Very high5 Ų555.4 Ų55.44%0.04127%0.271CS..Hα-helixtrans-61.6-43.9177.200000111.9E41 I42 Q48 D49 C143 L147E41-A45 PolarHBondContact O-N 3.08Å; I42-A45 PolarHBondContact O-N 3.09Å; A45-Q48 WeakPolarHBondContact O-CB 3.45Å; A45-Q48 PolarHBondContact O-N 3.44Å; A45-Q48 VanDerWaalsContact O-N 3.15Å; A45-D49 PolarHBondContact O-N 2.91Å; A45-C143 HydrophobicContact CB-CB 3.96Å; A45-L147 HydrophobicContact CB-CD2 4Å
46L97.9Very high96.8Very high0 Ų057.2 Ų57.20%028%0.281CS..Hα-helixtrans-67.6-34.4176.5-78.2166.9000113.2I42 S43 T44 Q48 D49 I50 S51 T57 P115I42-L46 HydrophobicContact CG2-CD1 4.2Å; I42-L46 PolarHBondContact O-N 2.91Å; S43-L46 PolarHBondContact O-N 3.33Å; T44-L46 PolarHBondContact O-N 3.05Å; L46-Q48 VanDerWaalsContact C-N 3.26Å; L46-Q48 PolarHBondContact O-N 2.9Å; L46-D49 PolarHBondContact O-N 3.07Å; L46-I50 HydrophobicContact CD2-CD1 3.91Å; L46-I50 HydrophobicContact CD2-CG1 4.33Å; L46-I50 WeakPolarHBondContact O-CG1 3.44Å; L46-I50 PolarHBondContact O-N 3.02Å; L46-S51 PolarHBondContact O-N 2.94Å; L46-T57 HydrophobicContact CD1-CG2 3.42Å; L46-T57 VanDerWaalsContact CD1-CG2 3.42Å; L46-P115 HydrophobicContact CD2-CG 3.61Å
47K97.4Very high96.6Very high92 Ų9251.9 Ų51.940%0.425%0.254SS..Hα-helixtrans-61.8-38.1171.5-171.370.5-174.8175.30110.9S43 T44 S51 R52S43-K47 WeakPolarHBondContact O-CB 3.44Å; S43-K47 PolarHBondContact O-N 3.34Å; T44-K47 PolarHBondContact O-N 3.12Å; K47-S51 PolarHBondContact NZ-O 2.73Å; K47-S51 WeakPolarHBondContact O-CA 3.46Å; K47-S51 PolarHBondContact O-N 3.2Å; K47-R52 WeakPolarHBondContact CD-O 3.13Å
48Q97.7Very high96.5Very high128 Ų12848.1 Ų48.160%0.59824%0.238SC*.Hα-helixtrans-73.3-39.5177.7-69.5173-13.600112.9T44 A45 L46 C143T44-Q48 WeakPolarHBondContact O-CG 3.45Å; T44-Q48 PolarHBondContact O-N 3.25Å; A45-Q48 WeakPolarHBondContact O-CB 3.45Å; A45-Q48 PolarHBondContact O-N 3.44Å; A45-Q48 VanDerWaalsContact O-N 3.15Å; L46-Q48 VanDerWaalsContact C-N 3.26Å; L46-Q48 PolarHBondContact O-N 2.9Å; Q48-C143 HydrophobicContact CB-CB 4.27Å; Q48-C143 PolarHBondContact OE1-SG 3.07Å
49D97.9Very high96.3Very high15 Ų1551.1 Ų51.18%0.0826%0.256CS..Hα-helixtrans-73.7-43.4-177.1-71.4-34.8000112.4A45 L46 S141 K142 C143 S144A45-D49 PolarHBondContact O-N 2.91Å; L46-D49 PolarHBondContact O-N 3.07Å; D49-S141 VanDerWaalsContact OD1-C 3.31Å; D49-S141 WeakPolarHBondContact OD2-CB 3.43Å; D49-K142 PolarHBondContact OD1-N 3.18Å; D49-K142 VanDerWaalsContact OD1-N 3.08Å; D49-C143 WeakPolarHBondContact OD1-CB 3.28Å; D49-C143 PolarHBondContact OD1-N 2.8Å; D49-S144 VanDerWaalsContact OD2-CB 3.24Å; D49-S144 WeakPolarHBondContact OD2-CB 3.43Å; D49-S144 PolarHBondContact OD2-N 2.72Å; D49-S144 PolarHBondContact OD2-OG 3.49Å
50I96.9Very high96.2Very high1 Ų148.6 Ų48.61%0.00525%0.245CC..Hα-helixtrans-140.812.4-168.453.8175.8000113.7L46 R52 N237 G281 R282 I284L46-I50 HydrophobicContact CD2-CD1 3.91Å; L46-I50 HydrophobicContact CD2-CG1 4.33Å; L46-I50 WeakPolarHBondContact O-CG1 3.44Å; L46-I50 PolarHBondContact O-N 3.02Å; I50-R52 HydrophobicContact CD1-CB 4.26Å; I50-R52 HydrophobicContact CG1-CB 4.09Å; I50-R52 PolarHBondContact O-N 3.17Å; I50-R52 VanDerWaalsContact O-N 3.11Å; I50-N237 WeakPolarHBondContact CD1-OD1 3.48Å; I50-G281 WeakPolarHBondContact O-CA 3.49Å; I50-R282 PolarHBondContact O-N 2.79Å; I50-I284 HydrophobicContact CG2-CB 4.41Å; I50-I284 HydrophobicContact CG2-CD1 3.46Å; I50-I284 VanDerWaalsContact CG2-CD1 3.46Å
51S96.7Very high96Very high35 Ų3543.8 Ų43.825%0.24522%0.216CC..  trans58.320.6-179.6-630000115.3L46 K47 R282L46-S51 PolarHBondContact O-N 2.94Å; K47-S51 PolarHBondContact NZ-O 2.73Å; K47-S51 WeakPolarHBondContact O-CA 3.46Å; K47-S51 PolarHBondContact O-N 3.2Å; S51-R282 WeakPolarHBondContact OG-CG 3.31Å
52R95.6Very high96Very high6 Ų640.4 Ų40.42%0.02320%0.2CC..  trans-63.1139.5-180-172175.3-64.8163.85.6111.9K47 I50 D56 E61 N113 N237K47-R52 WeakPolarHBondContact CD-O 3.13Å; I50-R52 HydrophobicContact CD1-CB 4.26Å; I50-R52 HydrophobicContact CG1-CB 4.09Å; I50-R52 PolarHBondContact O-N 3.17Å; I50-R52 VanDerWaalsContact O-N 3.11Å; R52-D56 HydrophobicContact CG-CB 3.86Å; R52-E61 IonicContact CZ-OE1 2.78Å; R52-E61 IonicContact NH1-OE1 3.02Å; R52-E61 PolarHBondContact NH1-OE1 2.95Å; R52-E61 IonicContact NH2-OE1 2.83Å; R52-N113 PolarHBondContact NH2-O 3.49Å; R52-N237 PolarHBondContact NE-OD1 3.01Å; R52-N237 PolarHBondContact NH2-ND2 3.37Å; R52-N237 PolarHBondContact NH2-OD1 3.03Å
53S93.1Very high95.8Very high6 Ų643.7 Ų43.74%0.04222%0.217CC..  trans-58.5143.9174.8-173.60000111Y55 D56 T57 D279S53-Y55 PolarHBondContact O-N 2.72Å; S53-Y55 PolarHBondContact OG-N 3.29Å; S53-D56 PolarHBondContact O-N 3.41Å; S53-T57 PolarHBondContact O-N 3.41Å; S53-T57 VanDerWaalsContact O-N 3.17Å; S53-T57 PolarHBondContact O-OG1 3.47Å; S53-D279 PolarHBondContact OG-OD1 3.43Å
54Q91.8Very high95.7Very high116 Ų11644.3 Ų44.354%0.54222%0.221SC..THydrogen-bonded Turntrans-63.6-25.2174.468.3-176.28.300111.6P58Q54-P58 WeakPolarHBondContact O-CD 3.5Å
55Y93.1Very high95.7Very high163 Ų16341 Ų4164%0.63920%0.201SC*.THydrogen-bonded Turntrans-81-32.7177.3-58-66.7000112.4S53 L59S53-Y55 PolarHBondContact O-N 2.72Å; S53-Y55 PolarHBondContact OG-N 3.29Å; Y55-L59 WeakPolarHBondContact O-CG 3.41Å
56D93.6Very high95.7Very high39 Ų3942.3 Ų42.321%0.20921%0.206CC..Hα-helixtrans-73-29.4176.3-74.9-22.4000112.6R52 S53 L59 L60R52-D56 HydrophobicContact CG-CB 3.86Å; S53-D56 PolarHBondContact O-N 3.41Å; D56-L59 PolarHBondContact O-N 2.96Å; D56-L60 HydrophobicContact CB-CD1 3.97Å; D56-L60 HydrophobicContact CB-CG 4.44Å; D56-L60 WeakPolarHBondContact O-CB 3.33Å; D56-L60 VanDerWaalsContact O-CG 3.3Å; D56-L60 WeakPolarHBondContact O-CG 3.39Å; D56-L60 PolarHBondContact O-N 3.45Å
57T94.6Very high95.7Very high0 Ų046 Ų460%023%0.226CC..Hα-helixtrans-58.4-50.8-175.3-68.90000112.7I42 S43 L46 S53 L59 E61 L62I42-T57 HydrophobicContact CG2-CG2 4.39Å; S43-T57 WeakPolarHBondContact OG-CG2 3.45Å; L46-T57 HydrophobicContact CD1-CG2 3.42Å; L46-T57 VanDerWaalsContact CD1-CG2 3.42Å; S53-T57 PolarHBondContact O-N 3.41Å; S53-T57 VanDerWaalsContact O-N 3.17Å; S53-T57 PolarHBondContact O-OG1 3.47Å; T57-L59 PolarHBondContact O-N 3.03Å; T57-E61 PolarHBondContact O-N 3.33Å; T57-L62 HydrophobicContact CG2-CD1 4.07Å; T57-L62 HydrophobicContact CG2-CG 4.14Å; T57-L62 PolarHBondContact O-N 2.87Å
58P95.3Very high95.7Very high20 Ų2042 Ų4213%0.1321%0.208CC..Iπ-helixtrans-60.2-44173.9-25.834.6000113.3E39 Q54 L60 L62 I63E39-P58 HydrophobicContact CG-CG 4.49Å; E39-P58 WeakPolarHBondContact OE1-CG 3.44Å; Q54-P58 WeakPolarHBondContact O-CD 3.5Å; P58-L60 PolarHBondContact O-N 3.01Å; P58-L62 HydrophobicContact CG-CD1 4.48Å; P58-L62 PolarHBondContact O-N 2.86Å; P58-I63 HydrophobicContact CB-CD1 4.44Å; P58-I63 HydrophobicContact CB-CG1 4.44Å; P58-I63 WeakPolarHBondContact O-CB 3.4Å; P58-I63 WeakPolarHBondContact O-CG1 3.34Å; P58-I63 PolarHBondContact O-N 3.06Å
59L94.8Very high95.8Very high115 Ų11535.9 Ų35.960%0.60218%0.18SC*.Iπ-helixtrans-65-37.4-176.1-63.4177.3000112.8Y55 D56 T57 I63Y55-L59 WeakPolarHBondContact O-CG 3.41Å; D56-L59 PolarHBondContact O-N 2.96Å; T57-L59 PolarHBondContact O-N 3.03Å; L59-I63 HydrophobicContact CD2-CD1 4.02Å
60L94.8Very high95.8Very high26 Ų2638.8 Ų38.814%0.13619%0.192CC..Iπ-helixtrans-94.7-23.6-174.2-62178.1000114.1D56 P58 Y114 V236D56-L60 HydrophobicContact CB-CD1 3.97Å; D56-L60 HydrophobicContact CB-CG 4.44Å; D56-L60 WeakPolarHBondContact O-CB 3.33Å; D56-L60 VanDerWaalsContact O-CG 3.3Å; D56-L60 WeakPolarHBondContact O-CG 3.39Å; D56-L60 PolarHBondContact O-N 3.45Å; P58-L60 PolarHBondContact O-N 3.01Å; L60-Y114 HydrophobicContact CB-CE1 4.05Å; L60-Y114 HydrophobicContact CD1-CE1 4.45Å; L60-V236 HydrophobicContact CD1-CG2 3.41Å; L60-V236 VanDerWaalsContact CD1-CG2 3.41Å; L60-V236 HydrophobicContact CD2-CG2 3.76Å; L60-V236 HydrophobicContact CG-CG2 4.23Å
61E94.3Very high95.9Very high0 Ų040.8 Ų40.80%020%0.202CC..Iπ-helixtrans-129.4-57.7-179.2-66.9-162.7-120.600113.7R52 T57 I63 S64 I65 Y114 P115 W116 A117R52-E61 IonicContact CZ-OE1 2.78Å; R52-E61 IonicContact NH1-OE1 3.02Å; R52-E61 PolarHBondContact NH1-OE1 2.95Å; R52-E61 IonicContact NH2-OE1 2.83Å; T57-E61 PolarHBondContact O-N 3.33Å; E61-I63 PolarHBondContact O-N 3.43Å; E61-S64 PolarHBondContact O-N 2.94Å; E61-I65 WeakPolarHBondContact O-CG1 3.36Å; E61-I65 PolarHBondContact O-N 3.17Å; E61-I65 VanDerWaalsContact O-N 3.17Å; E61-Y114 VanDerWaalsContact CD-CA 3.47Å; E61-Y114 HydrophobicContact CG-CD1 3.65Å; E61-Y114 HydrophobicContact CG-CG 4.32Å; E61-Y114 WeakPolarHBondContact OE1-CA 3.31Å; E61-Y114 WeakPolarHBondContact OE2-CA 3.46Å; E61-P115 WeakPolarHBondContact OE1-CD 3.46Å; E61-W116 WeakPolarHBondContact OE2-CA 3.43Å; E61-W116 WeakPolarHBondContact OE2-CB 3.47Å; E61-W116 PolarHBondContact OE2-N 3.31Å; E61-A117 HydrophobicContact CB-CB 4.08Å; E61-A117 HydrophobicContact CG-CB 3.98Å; E61-A117 PolarHBondContact OE2-N 2.94Å
62L96.9Very high96Very high2 Ų239.2 Ų39.21%0.0119%0.192CC..Iπ-helixtrans-70.3-41.2-162.1-49.1-176.7000113.1I35 E39 I42 T57 P58 S64 I65 E66I35-L62 HydrophobicContact CG2-CB 4.15Å; I35-L62 HydrophobicContact CG2-CD2 4.45Å; E39-L62 HydrophobicContact CB-CD1 4.32Å; E39-L62 HydrophobicContact CG-CD1 3.78Å; I42-L62 HydrophobicContact CD1-CD2 4.44Å; I42-L62 HydrophobicContact CG2-CD1 4.38Å; I42-L62 HydrophobicContact CG2-CD2 3.85Å; T57-L62 HydrophobicContact CG2-CD1 4.07Å; T57-L62 HydrophobicContact CG2-CG 4.14Å; T57-L62 PolarHBondContact O-N 2.87Å; P58-L62 HydrophobicContact CG-CD1 4.48Å; P58-L62 PolarHBondContact O-N 2.86Å; L62-S64 VanDerWaalsContact C-N 3.26Å; L62-S64 PolarHBondContact O-N 2.85Å; L62-I65 HydrophobicContact CD2-CD1 4.29Å; L62-I65 WeakPolarHBondContact O-CB 3.49Å; L62-I65 PolarHBondContact O-N 3.36Å; L62-I65 VanDerWaalsContact O-N 3.16Å; L62-E66 PolarHBondContact O-N 3.28Å
63I96.2Very high96.1Very high70 Ų7040.7 Ų40.736%0.35920%0.2SC..Hα-helixtrans-61.4-38.3177.9-69172.2000110.8P58 L59 E61 E66 N67P58-I63 HydrophobicContact CB-CD1 4.44Å; P58-I63 HydrophobicContact CB-CG1 4.44Å; P58-I63 WeakPolarHBondContact O-CB 3.4Å; P58-I63 WeakPolarHBondContact O-CG1 3.34Å; P58-I63 PolarHBondContact O-N 3.06Å; L59-I63 HydrophobicContact CD2-CD1 4.02Å; E61-I63 PolarHBondContact O-N 3.43Å; I63-E66 PolarHBondContact O-N 2.88Å; I63-N67 WeakPolarHBondContact O-CB 3.29Å; I63-N67 PolarHBondContact O-N 3.42Å; I63-N67 PolarHBondContact O-ND2 2.64Å
64S95.4Very high96.4Very high22 Ų2247.3 Ų47.315%0.15423%0.23CC..Hα-helixtrans-64.9-42.4177-640000111.4E61 L62 N67 E68E61-S64 PolarHBondContact O-N 2.94Å; L62-S64 VanDerWaalsContact C-N 3.26Å; L62-S64 PolarHBondContact O-N 2.85Å; S64-N67 PolarHBondContact O-N 2.9Å; S64-E68 WeakPolarHBondContact O-CB 3.45Å; S64-E68 WeakPolarHBondContact O-CG 3.49Å; S64-E68 PolarHBondContact O-N 2.86Å
65I98.1Very high96.7Very high0 Ų045.5 Ų45.50%022%0.22CC..Hα-helixtrans-62.2-46.2175.2-61.5162.5000110.5I35 E61 L62 N67 E68 I69 W116 A117 L120 I121I35-I65 HydrophobicContact CD1-CG2 4.32Å; I35-I65 HydrophobicContact CG1-CG2 4.17Å; E61-I65 WeakPolarHBondContact O-CG1 3.36Å; E61-I65 PolarHBondContact O-N 3.17Å; E61-I65 VanDerWaalsContact O-N 3.17Å; L62-I65 HydrophobicContact CD2-CD1 4.29Å; L62-I65 WeakPolarHBondContact O-CB 3.49Å; L62-I65 PolarHBondContact O-N 3.36Å; L62-I65 VanDerWaalsContact O-N 3.16Å; I65-N67 PolarHBondContact O-N 3.44Å; I65-E68 PolarHBondContact O-N 3.21Å; I65-I69 HydrophobicContact CG2-CD1 3.82Å; I65-I69 HydrophobicContact CG2-CG1 4.47Å; I65-I69 VanDerWaalsContact O-CG1 3.29Å; I65-I69 WeakPolarHBondContact O-CG1 3.34Å; I65-I69 PolarHBondContact O-N 3.06Å; I65-W116 HydrophobicContact CD1-CB 3.95Å; I65-A117 HydrophobicContact CD1-CB 4.33Å; I65-A117 HydrophobicContact CG1-CB 4.25Å; I65-L120 HydrophobicContact CD1-CB 4.31Å; I65-L120 HydrophobicContact CD1-CD1 4.27Å; I65-L120 HydrophobicContact CG1-CB 4.45Å; I65-L120 HydrophobicContact CG2-CB 4.17Å; I65-I121 HydrophobicContact CG1-CD1 4.48Å; I65-I121 HydrophobicContact CG1-CG1 4.04Å
66E97.9Very high97Very high33 Ų3337.8 Ų37.815%0.15419%0.19CC..Hα-helixtrans-60.6-43.4177.7-77.6-169.5-155.500112.8I35 L62 I63 E68 I69 K70I35-E66 HydrophobicContact CG2-CG 4.16Å; L62-E66 PolarHBondContact O-N 3.28Å; I63-E66 PolarHBondContact O-N 2.88Å; E66-E68 VanDerWaalsContact C-N 3.33Å; E66-I69 PolarHBondContact O-N 3.33Å; E66-K70 WeakPolarHBondContact O-CB 3.26Å; E66-K70 VanDerWaalsContact O-CG 3.27Å; E66-K70 WeakPolarHBondContact O-CG 3.01Å; E66-K70 PolarHBondContact O-N 3.44Å; E66-K70 IonicContact OE2-NZ 3.83Å; E66-K70 PolarHBondContact OE2-NZ 3.28Å
67N97.3Very high97.2Very high78 Ų7839.1 Ų39.142%0.41721%0.206SC..Hα-helixtrans-64.3-40.6179-72-17.1000111.1I63 S64 I65 K70 L71I63-N67 WeakPolarHBondContact O-CB 3.29Å; I63-N67 PolarHBondContact O-N 3.42Å; I63-N67 PolarHBondContact O-ND2 2.64Å; S64-N67 PolarHBondContact O-N 2.9Å; I65-N67 PolarHBondContact O-N 3.44Å; N67-K70 PolarHBondContact O-N 3.01Å; N67-L71 VanDerWaalsContact O-CB 3.25Å; N67-L71 WeakPolarHBondContact O-CB 3.32Å; N67-L71 PolarHBondContact O-N 3.49Å
68E98.2Very high97.4Very high6 Ų645.3 Ų45.33%0.02824%0.235CC..Hα-helixtrans-62.5-43173.6-77.6-68.8145.900112.1S64 I65 E66 A72 I121 V124 S396 G413S64-E68 WeakPolarHBondContact O-CB 3.45Å; S64-E68 WeakPolarHBondContact O-CG 3.49Å; S64-E68 PolarHBondContact O-N 2.86Å; I65-E68 PolarHBondContact O-N 3.21Å; E66-E68 VanDerWaalsContact C-N 3.33Å; E68-A72 VanDerWaalsContact O-CB 3.31Å; E68-A72 WeakPolarHBondContact O-CB 3.39Å; E68-A72 PolarHBondContact O-N 3.23Å; E68-I121 HydrophobicContact CG-CD1 4.46Å; E68-I121 HydrophobicContact CG-CG1 4.21Å; E68-I121 HydrophobicContact CG-CG2 3.87Å; E68-V124 HydrophobicContact CB-CG1 4.4Å; E68-S396 WeakPolarHBondContact OE1-CB 3.36Å; E68-S396 PolarHBondContact OE1-OG 2.84Å; E68-G413 VanDerWaalsContact CD-N 3.33Å; E68-G413 PolarHBondContact OE1-N 3.34Å; E68-G413 WeakPolarHBondContact OE2-CA 3.37Å; E68-G413 PolarHBondContact OE2-N 2.92Å
69I98.8Very high97.6Very high0 Ų045 Ų450%023%0.231CC..Hα-helixtrans-63.2-49175.9-67162.9000111L28 L31 Q32 I65 E66 L71 A72 I73 V124L28-I69 HydrophobicContact CB-CG2 4.31Å; L28-I69 WeakPolarHBondContact O-CG2 3.42Å; L31-I69 HydrophobicContact CB-CD1 4.3Å; L31-I69 HydrophobicContact CD2-CD1 4.02Å; L31-I69 HydrophobicContact CD2-CG1 4.29Å; L31-I69 HydrophobicContact CG-CD1 3.86Å; Q32-I69 HydrophobicContact CB-CD1 4.45Å; Q32-I69 HydrophobicContact CB-CG2 3.95Å; Q32-I69 HydrophobicContact CG-CG2 4.48Å; I65-I69 HydrophobicContact CG2-CD1 3.82Å; I65-I69 HydrophobicContact CG2-CG1 4.47Å; I65-I69 VanDerWaalsContact O-CG1 3.29Å; I65-I69 WeakPolarHBondContact O-CG1 3.34Å; I65-I69 PolarHBondContact O-N 3.06Å; E66-I69 PolarHBondContact O-N 3.33Å; I69-L71 PolarHBondContact O-N 2.87Å; I69-A72 PolarHBondContact O-N 2.87Å; I69-I73 HydrophobicContact CG2-CD1 3.57Å; I69-I73 HydrophobicContact CG2-CG1 4.34Å; I69-I73 VanDerWaalsContact O-CG1 3.3Å; I69-I73 WeakPolarHBondContact O-CG1 3.34Å; I69-I73 PolarHBondContact O-N 3.1Å; I69-V124 HydrophobicContact CD1-CG2 4.32Å; I69-V124 HydrophobicContact CG1-CG1 4.39Å; I69-V124 HydrophobicContact CG1-CG2 3.47Å; I69-V124 VanDerWaalsContact CG1-CG2 3.47Å
70K98.5Very high97.7Very high76 Ų7640.3 Ų40.333%0.3321%0.209SC..Hα-helixtrans-59.3-47.3179.3-72.9167.1-169.2156.90110.6E66 N67 A72 I73 E74E66-K70 WeakPolarHBondContact O-CB 3.26Å; E66-K70 VanDerWaalsContact O-CG 3.27Å; E66-K70 WeakPolarHBondContact O-CG 3.01Å; E66-K70 PolarHBondContact O-N 3.44Å; E66-K70 IonicContact OE2-NZ 3.83Å; E66-K70 PolarHBondContact OE2-NZ 3.28Å; N67-K70 PolarHBondContact O-N 3.01Å; K70-A72 PolarHBondContact O-N 3.19Å; K70-I73 PolarHBondContact O-N 3.31Å; K70-E74 WeakPolarHBondContact O-CB 3.39Å; K70-E74 WeakPolarHBondContact O-CG 3.33Å; K70-E74 PolarHBondContact O-N 2.96Å
71L98.6Very high97.9Very high44 Ų4441 Ų4123%0.2322%0.218CC..Hα-helixtrans-60.5-44.9177.3-179.363.8000111.6N67 I69 E74 K75 W79N67-L71 VanDerWaalsContact O-CB 3.25Å; N67-L71 WeakPolarHBondContact O-CB 3.32Å; N67-L71 PolarHBondContact O-N 3.49Å; I69-L71 PolarHBondContact O-N 2.87Å; L71-E74 PolarHBondContact O-N 2.82Å; L71-K75 HydrophobicContact CD1-CG 3.77Å; L71-K75 HydrophobicContact CG-CG 4.49Å; L71-K75 WeakPolarHBondContact O-CB 3.39Å; L71-K75 WeakPolarHBondContact O-CG 3.17Å; L71-K75 PolarHBondContact O-N 3.42Å; L71-W79 HydrophobicContact CD2-CH2 4.34Å; L71-W79 HydrophobicContact CD2-CZ2 4.39Å; L71-W79 HydrophobicContact CG-CH2 3.98Å; L71-W79 HydrophobicContact CG-CZ2 4.04Å
72A98.7Very high98Very high2 Ų244.3 Ų44.32%0.01724%0.24CC..Hα-helixtrans-61-47.2176.900000111.4L28 E68 I69 K70 E74 K75 L76 W79 V124 A128L28-A72 HydrophobicContact CD1-CB 3.98Å; L28-A72 HydrophobicContact CD2-CB 4.46Å; E68-A72 VanDerWaalsContact O-CB 3.31Å; E68-A72 WeakPolarHBondContact O-CB 3.39Å; E68-A72 PolarHBondContact O-N 3.23Å; I69-A72 PolarHBondContact O-N 2.87Å; K70-A72 PolarHBondContact O-N 3.19Å; A72-E74 PolarHBondContact O-N 3.49Å; A72-K75 PolarHBondContact O-N 2.93Å; A72-L76 WeakPolarHBondContact O-CA 3.45Å; A72-L76 WeakPolarHBondContact O-CB 3.47Å; A72-L76 PolarHBondContact O-N 3.03Å; A72-W79 HydrophobicContact CB-CH2 4.49Å; A72-W79 HydrophobicContact CB-CZ3 4.03Å; A72-V124 HydrophobicContact CB-CG1 3.88Å; A72-A128 HydrophobicContact CB-CB 4.33Å
73I98.8Very high98Very high37 Ų3747.1 Ų47.119%0.1925%0.25CS..Hα-helixtrans-56.5-49.4176.5-72.1162.5000111L25 L28 I69 K70 K75L25-I73 HydrophobicContact CD2-CB 4.3Å; L25-I73 HydrophobicContact CD2-CG1 4.31Å; L25-I73 HydrophobicContact CD2-CG2 4.14Å; L28-I73 HydrophobicContact CB-CD1 4.14Å; L28-I73 HydrophobicContact CB-CG1 3.79Å; L28-I73 HydrophobicContact CD1-CG1 4.12Å; I69-I73 HydrophobicContact CG2-CD1 3.57Å; I69-I73 HydrophobicContact CG2-CG1 4.34Å; I69-I73 VanDerWaalsContact O-CG1 3.3Å; I69-I73 WeakPolarHBondContact O-CG1 3.34Å; I69-I73 PolarHBondContact O-N 3.1Å; K70-I73 PolarHBondContact O-N 3.31Å; I73-K75 VanDerWaalsContact C-N 3.33Å; I73-K75 PolarHBondContact O-N 2.98Å
74E98.6Very high97.9Very high144 Ų14447.8 Ų47.867%0.67326%0.259SS*.Hα-helixtrans-65.2-35.2-177.4-74.5178.2-170.200113.2K70 L71 A72K70-E74 WeakPolarHBondContact O-CB 3.39Å; K70-E74 WeakPolarHBondContact O-CG 3.33Å; K70-E74 PolarHBondContact O-N 2.96Å; L71-E74 PolarHBondContact O-N 2.82Å; A72-E74 PolarHBondContact O-N 3.49Å
75K98.6Very high97.8Very high79 Ų7948.8 Ų48.834%0.34326%0.264SS..Hα-helixtrans-106.5-7.8-170.4-59.1-60.6-177.4-173.10114.5L71 A72 I73 A77 Q78 W79L71-K75 HydrophobicContact CD1-CG 3.77Å; L71-K75 HydrophobicContact CG-CG 4.49Å; L71-K75 WeakPolarHBondContact O-CB 3.39Å; L71-K75 WeakPolarHBondContact O-CG 3.17Å; L71-K75 PolarHBondContact O-N 3.42Å; A72-K75 PolarHBondContact O-N 2.93Å; I73-K75 VanDerWaalsContact C-N 3.33Å; I73-K75 PolarHBondContact O-N 2.98Å; K75-A77 VanDerWaalsContact C-N 3.33Å; K75-A77 PolarHBondContact O-N 3.4Å; K75-Q78 WeakPolarHBondContact O-CA 3.37Å; K75-Q78 WeakPolarHBondContact O-CB 3.49Å; K75-Q78 PolarHBondContact O-N 2.94Å; K75-W79 HydrophobicContact CB-CD2 3.81Å; K75-W79 HydrophobicContact CB-CE3 4.46Å; K75-W79 HydrophobicContact CB-CG 4.2Å; K75-W79 HydrophobicContact CB-CH2 4.23Å; K75-W79 HydrophobicContact CB-CZ2 3.53Å; K75-W79 HydrophobicContact CG-CZ2 4Å; K75-W79 PolarHBondContact O-N 3.11Å
76L98.7Very high97.4Very high1 Ų153.5 Ų53.51%0.00529%0.286CS..Hα-helixtrans-52.3-48.4-172.2177.362.3000113.1L21 R24 L25 A72 Q78 W79 A80 A128 F417L21-L76 HydrophobicContact CB-CD2 4.38Å; L21-L76 HydrophobicContact CD2-CD1 4.4Å; L21-L76 HydrophobicContact CD2-CD2 4.33Å; L21-L76 HydrophobicContact CD2-CG 4.11Å; R24-L76 HydrophobicContact CB-CD2 3.83Å; L25-L76 HydrophobicContact CD2-CB 4.37Å; L25-L76 HydrophobicContact CD2-CD2 3.75Å; L25-L76 HydrophobicContact CG-CD2 3.8Å; A72-L76 WeakPolarHBondContact O-CA 3.45Å; A72-L76 WeakPolarHBondContact O-CB 3.47Å; A72-L76 PolarHBondContact O-N 3.03Å; L76-Q78 VanDerWaalsContact C-N 3.29Å; L76-Q78 PolarHBondContact O-N 2.91Å; L76-W79 PolarHBondContact O-N 2.91Å; L76-A80 WeakPolarHBondContact O-CB 3.22Å; L76-A80 PolarHBondContact O-N 3.32Å; L76-A128 HydrophobicContact CD1-CB 4.13Å; L76-A128 WeakPolarHBondContact CD1-O 3.43Å; L76-F417 HydrophobicContact CD1-CE2 4.23Å
77A98.6Very high96.9Very high66 Ų6653.4 Ų53.455%0.54529%0.285SS..Hα-helixtrans-61.1-39.418000000112L21 K75 A81L21-A77 HydrophobicContact CD1-CB 4.27Å; K75-A77 VanDerWaalsContact C-N 3.33Å; K75-A77 PolarHBondContact O-N 3.4Å; A77-A81 WeakPolarHBondContact O-CB 3.43Å; A77-A81 PolarHBondContact O-N 3.5Å
78Q98.5Very high96.3Very high130 Ų13050.8 Ų50.861%0.60727%0.274SS*.Hα-helixtrans-68-42.7175.3-177.7-173.1-500111.5K75 L76K75-Q78 WeakPolarHBondContact O-CA 3.37Å; K75-Q78 WeakPolarHBondContact O-CB 3.49Å; K75-Q78 PolarHBondContact O-N 2.94Å; L76-Q78 VanDerWaalsContact C-N 3.29Å; L76-Q78 PolarHBondContact O-N 2.91Å
79W98.6Very high95.5Very high14 Ų1455.2 Ų55.25%0.05330%0.297CS..Hα-helixtrans-67.3-38.2-177.5-68.1-9.4000112.8L71 A72 K75 L76 R83 G413 K414 F417L71-W79 HydrophobicContact CD2-CH2 4.34Å; L71-W79 HydrophobicContact CD2-CZ2 4.39Å; L71-W79 HydrophobicContact CG-CH2 3.98Å; L71-W79 HydrophobicContact CG-CZ2 4.04Å; A72-W79 HydrophobicContact CB-CH2 4.49Å; A72-W79 HydrophobicContact CB-CZ3 4.03Å; K75-W79 HydrophobicContact CB-CD2 3.81Å; K75-W79 HydrophobicContact CB-CE3 4.46Å; K75-W79 HydrophobicContact CB-CG 4.2Å; K75-W79 HydrophobicContact CB-CH2 4.23Å; K75-W79 HydrophobicContact CB-CZ2 3.53Å; K75-W79 HydrophobicContact CG-CZ2 4Å; K75-W79 PolarHBondContact O-N 3.11Å; L76-W79 PolarHBondContact O-N 2.91Å; W79-R83 PolarHBondContact O-NH2 3.23Å; W79-G413 VanDerWaalsContact CH2-C 3.46Å; W79-K414 HydrophobicContact CD2-CB 4.38Å; W79-K414 HydrophobicContact CD2-CG 4.27Å; W79-K414 HydrophobicContact CG-CG 4.23Å; W79-K414 HydrophobicContact CZ2-CB 3.78Å; W79-F417 HydrophobicContact CB-CD1 3.85Å; W79-F417 HydrophobicContact CB-CD2 4.1Å; W79-F417 HydrophobicContact CB-CE1 3.86Å; W79-F417 HydrophobicContact CB-CE2 4.07Å; W79-F417 HydrophobicContact CB-CG 4Å; W79-F417 HydrophobicContact CB-CZ 3.98Å; W79-F417 HydrophobicContact CD2-CB 4.37Å; W79-F417 HydrophobicContact CD2-CG 4.39Å; W79-F417 HydrophobicContact CE3-CB 3.73Å; W79-F417 HydrophobicContact CE3-CD2 4Å; W79-F417 AromaticContact CE3-CG 3.92Å; W79-F417 HydrophobicContact CE3-CG 3.92Å; W79-F417 HydrophobicContact CG-CG 4.49Å; W79-F417 HydrophobicContact CZ3-CB 4.18Å; W79-F417 VanDerWaalsContact O-CE1 3.22Å; W79-F417 WeakPolarHBondContact O-CE1 3.44Å; W79-F417 WeakPolarHBondContact O-CZ 3.3Å
80A98.5Very high94.6Very high17 Ų1757.4 Ų57.414%0.1431%0.306CS..Hα-helixtrans-82.4-13.1-179.300000114.5L21 L76 Q99 F417L21-A80 HydrophobicContact CD2-CB 3.67Å; L76-A80 WeakPolarHBondContact O-CB 3.22Å; L76-A80 PolarHBondContact O-N 3.32Å; A80-Q99 PolarHBondContact O-NE2 3.47Å; A80-F417 HydrophobicContact CB-CE2 4.47Å; A80-F417 HydrophobicContact CB-CZ 4.15Å
81A98.2Very high94.1Very high39 Ų3955 Ų5532%0.32230%0.298SS..SBendtrans-64.5147.2179.300000112.2A77 R83A77-A81 WeakPolarHBondContact O-CB 3.43Å; A77-A81 PolarHBondContact O-N 3.5Å; A81-R83 PolarHBondContact O-N 2.96Å
82P97.4Very high93.5Very high71 Ų7156 Ų5646%0.46130%0.303SS..  trans-52.6137.6166.9-21.428.8000111.3P84 Y97P82-P84 WeakPolarHBondContact O-CD 3.41Å; P82-Y97 HydrophobicContact CB-CD2 3.69Å; P82-Y97 HydrophobicContact CB-CE2 4.13Å; P82-Y97 HydrophobicContact CB-CG 4.27Å
83R96.4Very high92.9Very high60 Ų6060.4 Ų60.423%0.22633%0.333CS..EExtended strand (participates in β ladder)trans-110.899.1-178.4-53.6172.6-170.8175.10.6109.1W79 A81 Y97 I98 D418 Q423W79-R83 PolarHBondContact O-NH2 3.23Å; A81-R83 PolarHBondContact O-N 2.96Å; R83-Y97 CarbonylContact O-C 3.51Å; R83-Y97 VanDerWaalsContact O-CA 3.22Å; R83-Y97 WeakPolarHBondContact O-CA 3.43Å; R83-Y97 WeakPolarHBondContact O-CB 3.37Å; R83-I98 HydrophobicContact CB-CB 4.29Å; R83-I98 PolarHBondContact N-O 3.24Å; R83-I98 PolarHBondContact O-N 3.3Å; R83-D418 IonicContact CZ-OD1 3.54Å; R83-D418 IonicContact NH1-OD1 2.69Å; R83-D418 PolarHBondContact NH1-OD1 3.49Å; R83-D418 IonicContact NH1-OD2 3.92Å; R83-D418 IonicContact NH2-OD1 2.69Å; R83-D418 PolarHBondContact NH2-OD1 3.28Å; R83-Q423 VanDerWaalsContact NH1-OE1 3.07Å
84P94.6Very high92.5Very high84 Ų8458.8 Ų58.855%0.54533%0.325SS..EExtended strand (participates in β ladder)trans-58142.4175.3-23.434.1000111.1P82P82-P84 WeakPolarHBondContact O-CD 3.41Å
85V92.8Very high92.3Very high43 Ų4357.1 Ų57.126%0.26132%0.318SS..  trans-119.1166.2179.6-61.60000111.6V96 I98V85-V96 HydrophobicContact CG2-CB 4.04Å; V85-V96 HydrophobicContact CG2-CG1 3.45Å; V85-V96 VanDerWaalsContact CG2-CG1 3.45Å; V85-V96 PolarHBondContact N-O 3.19Å; V85-I98 HydrophobicContact CG1-CD1 3.68Å; V85-I98 HydrophobicContact CG1-CG1 3.82Å
86E90.4Very high92.1Very high99 Ų9954.6 Ų54.646%0.46331%0.309SS..  trans-61.9144.8174.8-53.2-174.8160.600111.3L460 D462E86-L460 HydrophobicContact CB-CB 3.97Å; E86-L460 HydrophobicContact CB-CD1 4.42Å; E86-L460 WeakPolarHBondContact OE2-CB 3.37Å; E86-D462 HydrophobicContact CG-CB 4.06Å
87K87.4Confident92Very high31 Ų3156.4 Ų56.414%0.13532%0.316CS..BIsolated β-bridgetrans-117.7155.7-175.2-57.3-180-168.5179.10110.6I92 D94 V96 L460 I461 T463K87-I92 HydrophobicContact CB-CD1 4.31Å; K87-D94 WeakPolarHBondContact CE-O 3.46Å; K87-D94 PolarHBondContact NZ-O 3.24Å; K87-V96 HydrophobicContact CD-CG2 4.2Å; K87-V96 HydrophobicContact CG-CB 4.29Å; K87-V96 HydrophobicContact CG-CG2 4.09Å; K87-L460 CarbonylContact O-C 3.58Å; K87-L460 WeakPolarHBondContact O-CA 3.25Å; K87-I461 PolarHBondContact N-O 2.98Å; K87-I461 PolarHBondContact O-N 3.48Å; K87-T463 HydrophobicContact CD-CG2 4.38Å; K87-T463 WeakPolarHBondContact CE-OG1 3.24Å
88S84.4Confident92Very high24 Ų2455.9 Ų55.917%0.16830%0.303CS..  trans-91.9169.6167.668.80000110.2F90 T91 I92S88-F90 PolarHBondContact O-N 2.88Å; S88-F90 VanDerWaalsContact O-N 3.09Å; S88-F90 WeakPolarHBondContact OG-CB 3.18Å; S88-F90 PolarHBondContact OG-N 3.48Å; S88-T91 PolarHBondContact N-OG1 2.96Å; S88-T91 CarbonylContact O-C 3.5Å; S88-T91 PolarHBondContact O-N 3.03Å; S88-T91 PolarHBondContact O-OG1 3.27Å; S88-T91 PolarHBondContact OG-N 3.45Å; S88-T91 PolarHBondContact OG-OG1 2.9Å; S88-I92 PolarHBondContact O-N 3.18Å
89L80.3Confident92Very high99 Ų9952 Ų5252%0.51829%0.285SS..THydrogen-bonded Turntrans-56.2-25.9168.1-71.7-179.9000112.4T91 S458 I461L89-T91 VanDerWaalsContact C-N 3.28Å; L89-T91 PolarHBondContact O-N 2.99Å; L89-S458 PolarHBondContact N-OG 3.39Å; L89-I461 HydrophobicContact CD2-CD1 3.7Å; L89-I461 HydrophobicContact CG-CD1 4.3Å
90F80.4Confident92Very high45 Ų4551.9 Ų51.920%0.19729%0.286CS..THydrogen-bonded Turntrans-73.9-19.1178.6-138.6-82.8000113.8S88 R429 R440 V452 A455 L456S88-F90 PolarHBondContact O-N 2.88Å; S88-F90 VanDerWaalsContact O-N 3.09Å; S88-F90 WeakPolarHBondContact OG-CB 3.18Å; S88-F90 PolarHBondContact OG-N 3.48Å; F90-R429 PolarHBondContact O-NH2 3.37Å; F90-R440 HydrophobicContact CZ-CB 4.37Å; F90-V452 HydrophobicContact CE2-CG1 4.45Å; F90-A455 HydrophobicContact CD2-CB 3.6Å; F90-A455 HydrophobicContact CE2-CB 4.1Å; F90-L456 HydrophobicContact CD2-CD2 4.49Å
91T87.3Confident92Very high26 Ų2653.9 Ų53.916%0.1629%0.292CS..THydrogen-bonded Turntrans-126.89.5-175.356.60000112.8S88 L89 S93 D94 L427S88-T91 PolarHBondContact N-OG1 2.96Å; S88-T91 CarbonylContact O-C 3.5Å; S88-T91 PolarHBondContact O-N 3.03Å; S88-T91 PolarHBondContact O-OG1 3.27Å; S88-T91 PolarHBondContact OG-N 3.45Å; S88-T91 PolarHBondContact OG-OG1 2.9Å; L89-T91 VanDerWaalsContact C-N 3.28Å; L89-T91 PolarHBondContact O-N 2.99Å; T91-S93 PolarHBondContact O-N 3.15Å; T91-D94 VanDerWaalsContact CA-OD2 3.31Å; T91-D94 WeakPolarHBondContact CA-OD2 3.48Å; T91-D94 WeakPolarHBondContact O-CB 3.3Å; T91-D94 PolarHBondContact O-N 3.44Å; T91-L427 HydrophobicContact CG2-CD1 3.9Å
92I86Confident92Very high66 Ų6653.1 Ų53.134%0.33828%0.284SS..THydrogen-bonded Turntrans-62.4-30.9-172.1-164.262.6000113.2K87 S88 I461 T463K87-I92 HydrophobicContact CB-CD1 4.31Å; S88-I92 PolarHBondContact O-N 3.18Å; I92-I461 HydrophobicContact CD1-CB 4.29Å; I92-I461 HydrophobicContact CD1-CD1 4.2Å; I92-I461 HydrophobicContact CD1-CG2 4.25Å; I92-T463 HydrophobicContact CD1-CG2 3.56Å
93S86.8Confident92.1Very high93 Ų9352 Ų5265%0.6527%0.274SS*.THydrogen-bonded Turntrans-86.2-6.3175.959.50000114T91T91-S93 PolarHBondContact O-N 3.15Å
94D90.6Very high92.2Very high4 Ų449.1 Ų49.12%0.02126%0.263CS..SBendtrans-89.1152.4-179-55.9-33.9000110.2K87 T91 V96 L427 I428 R429K87-D94 WeakPolarHBondContact CE-O 3.46Å; K87-D94 PolarHBondContact NZ-O 3.24Å; T91-D94 VanDerWaalsContact CA-OD2 3.31Å; T91-D94 WeakPolarHBondContact CA-OD2 3.48Å; T91-D94 WeakPolarHBondContact O-CB 3.3Å; T91-D94 PolarHBondContact O-N 3.44Å; D94-V96 HydrophobicContact CB-CG2 4.03Å; D94-L427 HydrophobicContact CB-CD2 4.16Å; D94-L427 HydrophobicContact CB-CG 4.18Å; D94-I428 WeakPolarHBondContact CA-O 3.46Å; D94-R429 WeakPolarHBondContact OD1-CB 3.26Å; D94-R429 VanDerWaalsContact OD1-CG 3.27Å; D94-R429 WeakPolarHBondContact OD1-CG 3.44Å; D94-R429 IonicContact OD1-CZ 2.7Å; D94-R429 IonicContact OD1-NE 3.92Å; D94-R429 PolarHBondContact OD1-NE 3.03Å; D94-R429 IonicContact OD1-NH2 3.54Å; D94-R429 IonicContact OD2-CZ 2.82Å; D94-R429 VanDerWaalsContact OD2-CZ 3.3Å; D94-R429 IonicContact OD2-NE 3.66Å; D94-R429 PolarHBondContact OD2-NE 2.91Å; D94-R429 VanDerWaalsContact OD2-NE 3.09Å; D94-R429 IonicContact OD2-NH2 3.48Å; D94-R429 PolarHBondContact OD2-NH2 3.41Å
95E93.7Very high92.4Very high109 Ų10945.1 Ų45.151%0.50924%0.237SC..EExtended strand (participates in β ladder)trans-80.2123.5163.3-159.2-176.2153.100108Y97 L427 I428E95-Y97 HydrophobicContact CG-CD1 3.98Å; E95-Y97 HydrophobicContact CG-CE1 4.14Å; E95-Y97 WeakPolarHBondContact OE1-CE1 3.31Å; E95-L427 CarbonylContact O-C 3.54Å; E95-L427 VanDerWaalsContact O-CA 3.32Å; E95-L427 WeakPolarHBondContact O-CA 3.21Å; E95-I428 HydrophobicContact CB-CB 3.99Å; E95-I428 HydrophobicContact CB-CG1 4.46Å; E95-I428 PolarHBondContact N-O 3.22Å; E95-I428 PolarHBondContact O-N 2.84Å
96V94.8Very high92.7Very high25 Ų2543.1 Ų43.115%0.15223%0.225CC..EExtended strand (participates in β ladder)trans-134.1119.1-177.7-164.90000108.8V85 K87 D94 C426 L427V85-V96 HydrophobicContact CG2-CB 4.04Å; V85-V96 HydrophobicContact CG2-CG1 3.45Å; V85-V96 VanDerWaalsContact CG2-CG1 3.45Å; V85-V96 PolarHBondContact N-O 3.19Å; K87-V96 HydrophobicContact CD-CG2 4.2Å; K87-V96 HydrophobicContact CG-CB 4.29Å; K87-V96 HydrophobicContact CG-CG2 4.09Å; D94-V96 HydrophobicContact CB-CG2 4.03Å; V96-C426 WeakPolarHBondContact CA-O 3.42Å; V96-L427 HydrophobicContact CG2-CD1 4.4Å; V96-L427 HydrophobicContact CG2-CG 4.23Å
97Y96.5Very high93.1Very high40 Ų4038.4 Ų38.416%0.15720%0.203CC..EExtended strand (participates in β ladder)trans-154.6163.3-176.863.2-85.6000111.9P82 R83 E95 Q99 C426 I428P82-Y97 HydrophobicContact CB-CD2 3.69Å; P82-Y97 HydrophobicContact CB-CE2 4.13Å; P82-Y97 HydrophobicContact CB-CG 4.27Å; R83-Y97 CarbonylContact O-C 3.51Å; R83-Y97 VanDerWaalsContact O-CA 3.22Å; R83-Y97 WeakPolarHBondContact O-CA 3.43Å; R83-Y97 WeakPolarHBondContact O-CB 3.37Å; E95-Y97 HydrophobicContact CG-CD1 3.98Å; E95-Y97 HydrophobicContact CG-CE1 4.14Å; E95-Y97 WeakPolarHBondContact OE1-CE1 3.31Å; Y97-Q99 HydrophobicContact CD2-CB 4.25Å; Y97-Q99 HydrophobicContact CE2-CB 3.97Å; Y97-C426 HydrophobicContact CD1-CB 3.93Å; Y97-C426 HydrophobicContact CD2-CB 3.92Å; Y97-C426 HydrophobicContact CE1-CB 3.6Å; Y97-C426 HydrophobicContact CE2-CB 3.63Å; Y97-C426 HydrophobicContact CG-CB 4.09Å; Y97-C426 VanDerWaalsContact CZ-CB 3.45Å; Y97-C426 PolarHBondContact N-O 3.06Å; Y97-C426 PolarHBondContact O-N 2.66Å; Y97-I428 HydrophobicContact CE1-CD1 3.8Å; Y97-I428 HydrophobicContact CE1-CG1 4.25Å
98I98.5Very high93.6Very high54 Ų5436.9 Ų36.928%0.27720%0.196SC..EExtended strand (participates in β ladder)trans-101.7127.1169.7-62.4167.2000108R83 V85 Q423 R424R83-I98 HydrophobicContact CB-CB 4.29Å; R83-I98 PolarHBondContact N-O 3.24Å; R83-I98 PolarHBondContact O-N 3.3Å; V85-I98 HydrophobicContact CG1-CD1 3.68Å; V85-I98 HydrophobicContact CG1-CG1 3.82Å; I98-Q423 HydrophobicContact CG2-CB 3.71Å; I98-R424 CarbonylContact C-O 3.34Å; I98-R424 WeakPolarHBondContact CA-O 3.37Å
99Q98.4Very high94.3Very high50 Ų5036.1 Ų36.123%0.23419%0.19CC..EExtended strand (participates in β ladder)trans-107.6113.9174.6-17959.757.700110A80 Y97 E101 R424A80-Q99 PolarHBondContact O-NE2 3.47Å; Y97-Q99 HydrophobicContact CD2-CB 4.25Å; Y97-Q99 HydrophobicContact CE2-CB 3.97Å; Q99-E101 PolarHBondContact O-N 3.01Å; Q99-R424 HydrophobicContact CB-CB 4.49Å; Q99-R424 PolarHBondContact N-O 2.98Å; Q99-R424 WeakPolarHBondContact O-CB 3.33Å; Q99-R424 PolarHBondContact O-N 3.31Å
100P98.7Very high95.2Very high11 Ų1131.6 Ų31.67%0.07117%0.168CC..EExtended strand (participates in β ladder)trans-65.6129.1166.6-1932.6000110.3F417 H422P100-F417 HydrophobicContact CB-CE1 3.74Å; P100-F417 HydrophobicContact CB-CZ 3.93Å; P100-F417 HydrophobicContact CG-CE1 4.13Å; P100-H422 WeakPolarHBondContact CA-O 3.45Å
101E98.2Very high96.1Very high58 Ų5829.8 Ų29.827%0.27116%0.161SC..EExtended strand (participates in β ladder)trans-132.4146.3172.166.6-171.2174.200110.6Q99 S421 H422 R424Q99-E101 PolarHBondContact O-N 3.01Å; E101-S421 CarbonylContact O-C 3.54Å; E101-S421 WeakPolarHBondContact O-CA 3.22Å; E101-H422 HydrophobicContact CG-CB 3.88Å; E101-H422 PolarHBondContact N-O 3Å; E101-H422 PolarHBondContact O-N 3.5Å; E101-H422 IonicContact OE1-CE1 3.12Å; E101-H422 IonicContact OE1-CG 3.08Å; E101-H422 IonicContact OE1-ND1 3.56Å; E101-H422 PolarHBondContact OE1-ND1 3.22Å; E101-R424 VanDerWaalsContact OE1-CD 3.24Å; E101-R424 WeakPolarHBondContact OE1-CD 3.17Å; E101-R424 WeakPolarHBondContact OE2-CD 3.28Å; E101-R424 IonicContact OE2-CZ 3.21Å; E101-R424 IonicContact OE2-NH1 3.76Å; E101-R424 PolarHBondContact OE2-NH1 3.02Å
102P98.7Very high96.6Very high23 Ų2330 Ų3015%0.14916%0.159CC..EExtended strand (participates in β ladder)trans-61.3146.2177.525.3-33.9000111.1F13 A129 G130 N131F13-P102 HydrophobicContact CE2-CB 3.89Å; F13-P102 HydrophobicContact CE2-CG 3.87Å; F13-P102 HydrophobicContact CZ-CB 4.27Å; F13-P102 HydrophobicContact CZ-CG 4.06Å; P102-A129 WeakPolarHBondContact CB-O 3.21Å; P102-G130 VanDerWaalsContact CB-O 3.32Å; P102-G130 WeakPolarHBondContact CB-O 3.24Å; P102-N131 WeakPolarHBondContact CB-OD1 3.26Å
103L98.8Very high97.2Very high47 Ų4727 Ų2725%0.24614%0.144CC..  trans-70.4-42.4176.4-62.6175.3000111.7N131 D180 H181 H422L103-N131 PolarHBondContact N-OD1 3.37Å; L103-D180 HydrophobicContact CB-CB 4.06Å; L103-D180 WeakPolarHBondContact O-CB 3.21Å; L103-H181 HydrophobicContact CD1-CB 3.74Å; L103-H422 HydrophobicContact CD2-CB 3.87Å
104G98.7Very high97.7Very high0 Ų023.6 Ų23.60%012%0.117CC..SBendtrans144.3-116.7-175.200000112.6F13 N131 A132 D180F13-G104 VanDerWaalsContact CZ-CA 3.5Å; G104-N131 PolarHBondContact N-OD1 3.31Å; G104-N131 WeakPolarHBondContact O-CA 3.27Å; G104-N131 WeakPolarHBondContact O-CB 3.45Å; G104-A132 PolarHBondContact O-N 2.92Å; G104-D180 WeakPolarHBondContact CA-OD2 3.16Å
105V98.8Very high98.1Very high1 Ų123.7 Ų23.71%0.00612%0.118CC..EExtended strand (participates in β ladder)trans-103.7118.1173.7-167.50000110.3L6 A9 K10 A132 V134 F179 D180L6-V105 HydrophobicContact CD1-CB 4.2Å; L6-V105 HydrophobicContact CD1-CG1 3.73Å; A9-V105 HydrophobicContact CB-CG1 4.18Å; K10-V105 HydrophobicContact CB-CG2 4.38Å; K10-V105 HydrophobicContact CG-CG2 3.53Å; V105-A132 WeakPolarHBondContact CA-O 3.48Å; V105-A132 HydrophobicContact CG1-CB 4.27Å; V105-A132 HydrophobicContact CG2-CB 4.13Å; V105-V134 HydrophobicContact CG1-CG2 4.15Å; V105-F179 HydrophobicContact CB-CD1 4.46Å; V105-F179 HydrophobicContact CG1-CD1 4.09Å; V105-F179 HydrophobicContact CG1-CE1 4.22Å; V105-D180 PolarHBondContact N-OD2 3.21Å; V105-D180 PolarHBondContact O-N 2.88Å
106V98.9Very high98.3Very high0 Ų018.6 Ų18.60%09%0.094CC..EExtended strand (participates in β ladder)trans-92.3137.3176.9-178.10000109.7I108 N131 A132 A133 V134 H181 L420V106-I108 HydrophobicContact CG1-CG1 3.95Å; V106-N131 HydrophobicContact CG2-CB 3.82Å; V106-A132 PolarHBondContact N-O 3.49Å; V106-A133 CarbonylContact O-C 3.55Å; V106-A133 VanDerWaalsContact O-CA 3.22Å; V106-A133 WeakPolarHBondContact O-CA 3.34Å; V106-V134 PolarHBondContact O-N 3.48Å; V106-H181 WeakPolarHBondContact CA-O 3.27Å; V106-H181 HydrophobicContact CG1-CB 4.23Å; V106-H181 HydrophobicContact CG2-CB 4.13Å; V106-L420 HydrophobicContact CG1-CD2 4.12Å; V106-L420 HydrophobicContact CG2-CD2 4.25Å
107L98.9Very high98.5Very high0 Ų017.4 Ų17.40%09%0.087CC..EExtended strand (participates in β ladder)trans-95.3125.5164.7177.360.9000108.9I109 V134 L174 L175 F179 H181 I182 F183L107-I109 HydrophobicContact CD1-CG1 4.35Å; L107-I109 HydrophobicContact CD2-CD1 3.93Å; L107-I109 HydrophobicContact CD2-CG1 4.1Å; L107-I109 HydrophobicContact CG-CD1 4.31Å; L107-I109 HydrophobicContact CG-CG1 3.93Å; L107-V134 HydrophobicContact CD1-CB 4.16Å; L107-V134 HydrophobicContact CD1-CG1 4.11Å; L107-L174 HydrophobicContact CD1-CD1 4.24Å; L107-L174 HydrophobicContact CD2-CB 4.36Å; L107-L175 HydrophobicContact CD2-CD2 4.04Å; L107-F179 HydrophobicContact CB-CB 4.4Å; L107-F179 HydrophobicContact CB-CD1 3.64Å; L107-F179 HydrophobicContact CB-CD2 3.92Å; L107-F179 HydrophobicContact CB-CE1 3.75Å; L107-F179 HydrophobicContact CB-CE2 4.03Å; L107-F179 HydrophobicContact CB-CG 3.72Å; L107-F179 HydrophobicContact CB-CZ 3.95Å; L107-F179 HydrophobicContact CD1-CE1 4.27Å; L107-F179 HydrophobicContact CD1-CE2 4.4Å; L107-F179 HydrophobicContact CD1-CZ 3.96Å; L107-F179 HydrophobicContact CD2-CD2 4.06Å; L107-F179 HydrophobicContact CD2-CE2 3.78Å; L107-F179 HydrophobicContact CD2-CZ 4.19Å; L107-F179 HydrophobicContact CG-CE1 4.47Å; L107-F179 HydrophobicContact CG-CE2 4.29Å; L107-F179 HydrophobicContact CG-CZ 4.25Å; L107-H181 PolarHBondContact N-O 3.47Å; L107-I182 HydrophobicContact CB-CG1 4.08Å; L107-I182 HydrophobicContact CB-CG2 4.4Å; L107-I182 HydrophobicContact CD2-CG1 4.27Å; L107-I182 HydrophobicContact CD2-CG2 4.18Å; L107-I182 HydrophobicContact CG-CG2 4.44Å; L107-F183 PolarHBondContact O-N 3.28Å
108I98.9Very high98.6Very high0 Ų016.1 Ų16.10%08%0.082CC..EExtended strand (participates in β ladder)trans-113.2114.4175.5-59.9169.1000108.2V106 P122 L123 A126 A133 V134 K136 F183V106-I108 HydrophobicContact CG1-CG1 3.95Å; I108-P122 HydrophobicContact CD1-CB 4.15Å; I108-P122 HydrophobicContact CG1-CB 4.35Å; I108-P122 HydrophobicContact CG2-CB 3.97Å; I108-P122 HydrophobicContact CG2-CG 4.41Å; I108-L123 HydrophobicContact CD1-CB 3.89Å; I108-L123 HydrophobicContact CD1-CD1 4.13Å; I108-A126 HydrophobicContact CD1-CB 4.33Å; I108-A133 HydrophobicContact CD1-CB 4.03Å; I108-V134 PolarHBondContact N-O 3.03Å; I108-K136 PolarHBondContact O-N 3.27Å; I108-F183 HydrophobicContact CG1-CB 4.39Å
109I98.9Very high98.6Very high7 Ų713.5 Ų13.54%0.0367%0.069CC..EExtended strand (participates in β ladder)trans-106.8103.5176.3-54.8172.6000108L107 K136 T171 L175 I182 F183 Y184 T185 V194L107-I109 HydrophobicContact CD1-CG1 4.35Å; L107-I109 HydrophobicContact CD2-CD1 3.93Å; L107-I109 HydrophobicContact CD2-CG1 4.1Å; L107-I109 HydrophobicContact CG-CD1 4.31Å; L107-I109 HydrophobicContact CG-CG1 3.93Å; I109-K136 WeakPolarHBondContact CA-O 3.31Å; I109-K136 HydrophobicContact CG1-CB 4.45Å; I109-K136 HydrophobicContact CG2-CD 4.15Å; I109-T171 HydrophobicContact CD1-CG2 4.14Å; I109-L175 HydrophobicContact CD1-CD2 4.18Å; I109-I182 HydrophobicContact CD1-CG2 4.43Å; I109-F183 PolarHBondContact N-O 3.06Å; I109-Y184 HydrophobicContact CB-CD2 3.82Å; I109-Y184 HydrophobicContact CD1-CD2 4.14Å; I109-Y184 HydrophobicContact CG2-CD2 3.68Å; I109-Y184 HydrophobicContact CG2-CE2 3.98Å; I109-T185 PolarHBondContact O-N 3.49Å; I109-T185 VanDerWaalsContact O-N 3.13Å; I109-V194 HydrophobicContact CD1-CG2 4.33Å
110G98.6Very high98.6Very high5 Ų511.1 Ų11.15%0.0526%0.058CC..  trans-80.7152.6-179.100000113K136 S138G110-K136 PolarHBondContact N-O 3.48Å; G110-S138 PolarHBondContact O-N 3.05Å
111A98.4Very high98.6Very high7 Ų710.7 Ų10.76%0.0586%0.055CC..  trans-89172.8173.400000111.9N113 P115 L118 T185A111-N113 WeakPolarHBondContact CB-OD1 3.31Å; A111-P115 VanDerWaalsContact O-CA 3.32Å; A111-P115 WeakPolarHBondContact O-CA 3.45Å; A111-L118 HydrophobicContact CB-CD1 3.79Å; A111-T185 HydrophobicContact CB-CG2 4.03Å
112W98.6Very high98.7Very high29 Ų297.9 Ų7.911%0.114%0.042CC..SBendtrans-93.6-24.2-175.450.5-93.8000114.3P115 S138 L140 S141 Q240 I284 H288 F334W112-P115 VanDerWaalsContact O-CD 3.29Å; W112-P115 WeakPolarHBondContact O-CD 3.41Å; W112-S138 WeakPolarHBondContact CB-OG 3.26Å; W112-L140 HydrophobicContact CB-CB 3.82Å; W112-L140 HydrophobicContact CG-CB 4.05Å; W112-L140 HydrophobicContact CG-CD1 4.06Å; W112-S141 VanDerWaalsContact CA-OG 3.31Å; W112-S141 WeakPolarHBondContact CA-OG 3.37Å; W112-S141 VanDerWaalsContact CB-OG 3.27Å; W112-S141 WeakPolarHBondContact CB-OG 2.97Å; W112-S141 PolarHBondContact O-OG 2.96Å; W112-Q240 HydrophobicContact CH2-CB 3.98Å; W112-Q240 HydrophobicContact CH2-CG 4.03Å; W112-Q240 HydrophobicContact CZ3-CB 3.9Å; W112-Q240 HydrophobicContact CZ3-CG 4.12Å; W112-I284 HydrophobicContact CD2-CB 4.42Å; W112-I284 HydrophobicContact CD2-CG1 4.16Å; W112-I284 HydrophobicContact CD2-CG2 4.3Å; W112-I284 HydrophobicContact CE3-CB 3.71Å; W112-I284 HydrophobicContact CE3-CD1 4.1Å; W112-I284 HydrophobicContact CE3-CG1 3.73Å; W112-I284 HydrophobicContact CE3-CG2 3.93Å; W112-I284 HydrophobicContact CH2-CB 4.13Å; W112-I284 HydrophobicContact CH2-CG2 3.6Å; W112-I284 HydrophobicContact CZ2-CG2 4.01Å; W112-I284 HydrophobicContact CZ3-CB 3.57Å; W112-I284 HydrophobicContact CZ3-CG1 4.15Å; W112-I284 HydrophobicContact CZ3-CG2 3.6Å; W112-H288 AromaticContact CZ2-CE1 3.68Å; W112-H288 AromaticContact CZ2-NE2 3.83Å; W112-F334 AromaticContact CH2-CD1 3.54Å; W112-F334 HydrophobicContact CH2-CD1 3.54Å; W112-F334 AromaticContact CH2-CE1 3.31Å; W112-F334 HydrophobicContact CH2-CE1 3.31Å; W112-F334 AromaticContact CZ2-CD1 3.68Å; W112-F334 HydrophobicContact CZ2-CD1 3.68Å; W112-F334 AromaticContact CZ2-CE1 3.37Å; W112-F334 HydrophobicContact CZ2-CE1 3.37Å; W112-F334 HydrophobicContact CZ3-CE1 4.07Å
113N98.4Very high98.7Very high4 Ų46.8 Ų6.82%0.0214%0.035CC..SBendtrans-75.1-29.9-170.361.5-43.3000113.8R52 A111 L118 N237 Q240 F334R52-N113 PolarHBondContact NH2-O 3.49Å; A111-N113 WeakPolarHBondContact CB-OD1 3.31Å; N113-L118 VanDerWaalsContact OD1-CD1 3.29Å; N113-L118 WeakPolarHBondContact OD1-CD1 3.32Å; N113-N237 PolarHBondContact O-ND2 3.38Å; N113-Q240 HydrophobicContact CB-CB 4.4Å; N113-Q240 WeakPolarHBondContact CB-O 3.37Å; N113-Q240 PolarHBondContact ND2-O 3.39Å; N113-F334 HydrophobicContact CB-CE1 4Å; N113-F334 HydrophobicContact CB-CZ 4.03Å; N113-F334 WeakPolarHBondContact ND2-CZ 3.32Å
114Y98.6Very high98.7Very high22 Ų224.7 Ų4.79%0.0862%0.024CC..SBendtrans-135.971.6167.8-62-87.9000108.1L60 E61 W116 A117 L118 T241L60-Y114 HydrophobicContact CB-CE1 4.05Å; L60-Y114 HydrophobicContact CD1-CE1 4.45Å; E61-Y114 VanDerWaalsContact CD-CA 3.47Å; E61-Y114 HydrophobicContact CG-CD1 3.65Å; E61-Y114 HydrophobicContact CG-CG 4.32Å; E61-Y114 WeakPolarHBondContact OE1-CA 3.31Å; E61-Y114 WeakPolarHBondContact OE2-CA 3.46Å; Y114-W116 PolarHBondContact O-N 2.98Å; Y114-A117 PolarHBondContact O-N 3.34Å; Y114-L118 HydrophobicContact CD2-CD1 4.43Å; Y114-L118 VanDerWaalsContact O-CB 3.32Å; Y114-L118 WeakPolarHBondContact O-CB 3.21Å; Y114-L118 WeakPolarHBondContact O-CG 3.45Å; Y114-L118 PolarHBondContact O-N 3.49Å; Y114-T241 HydrophobicContact CE2-CG2 3.78Å; Y114-T241 WeakPolarHBondContact CE2-OG1 3.21Å; Y114-T241 PolarHBondContact OH-OG1 2.87Å
115P98.3Very high98.7Very high6 Ų64.9 Ų4.94%0.0393%0.026CC..THydrogen-bonded Turntrans-69.1-18.4-161.528.8-33.6000113.8L46 E61 A111 W112 T119L46-P115 HydrophobicContact CD2-CG 3.61Å; E61-P115 WeakPolarHBondContact OE1-CD 3.46Å; A111-P115 VanDerWaalsContact O-CA 3.32Å; A111-P115 WeakPolarHBondContact O-CA 3.45Å; W112-P115 VanDerWaalsContact O-CD 3.29Å; W112-P115 WeakPolarHBondContact O-CD 3.41Å; P115-T119 VanDerWaalsContact O-CB 3.32Å; P115-T119 WeakPolarHBondContact O-CB 3.47Å; P115-T119 PolarHBondContact O-OG1 3.16Å
116W98.6Very high98.7Very high1 Ų14.8 Ų4.80%0.0043%0.025CC..THydrogen-bonded Turntrans-89-52.2175.9-64.686.4000110.5M34 I42 E61 I65 Y114 L118 T119 L120 S144 L147 L148 L151M34-W116 HydrophobicContact CE-CZ3 4.34Å; I42-W116 HydrophobicContact CB-CZ2 4.37Å; I42-W116 HydrophobicContact CD1-CD2 4.45Å; I42-W116 HydrophobicContact CD1-CE3 4.09Å; I42-W116 HydrophobicContact CD1-CH2 4.31Å; I42-W116 HydrophobicContact CD1-CZ3 4.01Å; I42-W116 HydrophobicContact CG1-CD2 4.22Å; I42-W116 HydrophobicContact CG1-CE3 4.18Å; I42-W116 HydrophobicContact CG1-CH2 3.74Å; I42-W116 HydrophobicContact CG1-CZ2 3.76Å; I42-W116 HydrophobicContact CG1-CZ3 3.94Å; I42-W116 HydrophobicContact CG2-CD2 3.84Å; I42-W116 HydrophobicContact CG2-CG 3.97Å; I42-W116 HydrophobicContact CG2-CZ2 4.22Å; E61-W116 WeakPolarHBondContact OE2-CA 3.43Å; E61-W116 WeakPolarHBondContact OE2-CB 3.47Å; E61-W116 PolarHBondContact OE2-N 3.31Å; I65-W116 HydrophobicContact CD1-CB 3.95Å; Y114-W116 PolarHBondContact O-N 2.98Å; W116-L118 PolarHBondContact O-N 3.14Å; W116-T119 PolarHBondContact O-N 2.9Å; W116-L120 HydrophobicContact CE3-CD1 3.86Å; W116-L120 VanDerWaalsContact O-CB 3.23Å; W116-L120 WeakPolarHBondContact O-CB 3.06Å; W116-L120 WeakPolarHBondContact O-CG 3.46Å; W116-L120 PolarHBondContact O-N 2.97Å; W116-S144 PolarHBondContact NE1-OG 3.32Å; W116-L147 HydrophobicContact CH2-CB 4.3Å; W116-L147 HydrophobicContact CH2-CD2 4.11Å; W116-L147 HydrophobicContact CH2-CG 3.99Å; W116-L147 HydrophobicContact CZ2-CB 4.15Å; W116-L147 HydrophobicContact CZ2-CD2 3.87Å; W116-L147 HydrophobicContact CZ2-CG 4.09Å; W116-L148 HydrophobicContact CE3-CD1 4.22Å; W116-L148 HydrophobicContact CH2-CB 3.92Å; W116-L148 HydrophobicContact CH2-CD1 4.3Å; W116-L148 HydrophobicContact CZ2-CB 4.5Å; W116-L148 HydrophobicContact CZ3-CB 4.12Å; W116-L148 HydrophobicContact CZ3-CD1 3.66Å; W116-L148 HydrophobicContact CZ3-CG 4.46Å; W116-L151 HydrophobicContact CH2-CD1 4.29Å
117A98.3Very high98.7Very high1 Ų14.8 Ų4.81%0.0083%0.025CC..Hα-helixtrans-63.9-45.2-17700000112E61 I65 Y114 T119 I121E61-A117 HydrophobicContact CB-CB 4.08Å; E61-A117 HydrophobicContact CG-CB 3.98Å; E61-A117 PolarHBondContact OE2-N 2.94Å; I65-A117 HydrophobicContact CD1-CB 4.33Å; I65-A117 HydrophobicContact CG1-CB 4.25Å; Y114-A117 PolarHBondContact O-N 3.34Å; A117-T119 PolarHBondContact O-N 2.93Å; A117-I121 HydrophobicContact CB-CD1 4.06Å; A117-I121 WeakPolarHBondContact O-CB 3.43Å; A117-I121 WeakPolarHBondContact O-CG1 3.38Å; A117-I121 PolarHBondContact O-N 3.15Å
118L98.7Very high98.7Very high12 Ų124.8 Ų4.86%0.0633%0.025CC..Hα-helixtrans-74.7-7.9-178-59.3175.5000113.4A111 N113 Y114 W116 T185A111-L118 HydrophobicContact CB-CD1 3.79Å; N113-L118 VanDerWaalsContact OD1-CD1 3.29Å; N113-L118 WeakPolarHBondContact OD1-CD1 3.32Å; Y114-L118 HydrophobicContact CD2-CD1 4.43Å; Y114-L118 VanDerWaalsContact O-CB 3.32Å; Y114-L118 WeakPolarHBondContact O-CB 3.21Å; Y114-L118 WeakPolarHBondContact O-CG 3.45Å; Y114-L118 PolarHBondContact O-N 3.49Å; W116-L118 PolarHBondContact O-N 3.14Å; L118-T185 HydrophobicContact CD1-CG2 3.98Å; L118-T185 HydrophobicContact CD2-CG2 4.23Å; L118-T185 HydrophobicContact CG-CG2 4.46Å
119T98.8Very high98.7Very high0 Ų04.9 Ų4.90%03%0.026CC..Hα-helixtrans-103.2-44.5173.7-53.40000111.1P115 W116 A117 L123 V135 L148P115-T119 VanDerWaalsContact O-CB 3.32Å; P115-T119 WeakPolarHBondContact O-CB 3.47Å; P115-T119 PolarHBondContact O-OG1 3.16Å; W116-T119 PolarHBondContact O-N 2.9Å; A117-T119 PolarHBondContact O-N 2.93Å; T119-L123 PolarHBondContact O-N 3.03Å; T119-V135 HydrophobicContact CG2-CG1 3.25Å; T119-L148 HydrophobicContact CG2-CD2 3.75Å
120L98.8Very high98.7Very high0 Ų04.5 Ų4.50%02%0.024CC..Hα-helixtrans-87.2-31.6-170.1-64.2-175.4000113.7L31 M34 I35 I65 W116 L123 V124 L148 L152L31-L120 HydrophobicContact CD1-CD1 4.42Å; L31-L120 HydrophobicContact CD1-CD2 4.28Å; M34-L120 HydrophobicContact CE-CD1 3.99Å; I35-L120 HydrophobicContact CD1-CD1 3.64Å; I65-L120 HydrophobicContact CD1-CB 4.31Å; I65-L120 HydrophobicContact CD1-CD1 4.27Å; I65-L120 HydrophobicContact CG1-CB 4.45Å; I65-L120 HydrophobicContact CG2-CB 4.17Å; W116-L120 HydrophobicContact CE3-CD1 3.86Å; W116-L120 VanDerWaalsContact O-CB 3.23Å; W116-L120 WeakPolarHBondContact O-CB 3.06Å; W116-L120 WeakPolarHBondContact O-CG 3.46Å; W116-L120 PolarHBondContact O-N 2.97Å; L120-L123 HydrophobicContact CD2-CD2 3.81Å; L120-L123 CarbonylContact O-C 3.59Å; L120-L123 WeakPolarHBondContact O-CB 3.41Å; L120-L123 PolarHBondContact O-N 3.29Å; L120-L123 VanDerWaalsContact O-N 3.13Å; L120-V124 VanDerWaalsContact O-CG2 3.3Å; L120-V124 WeakPolarHBondContact O-CG2 3.33Å; L120-V124 PolarHBondContact O-N 3.25Å; L120-L148 HydrophobicContact CD2-CD1 4.03Å; L120-L152 HydrophobicContact CD2-CD1 4.39Å
121I98.7Very high98.7Very high1 Ų14.3 Ų4.31%0.0052%0.022CC..Hα-helixtrans-63.2-45.4175.8-63.7170.9000111.1I65 E68 A117 L123 V124 G125 Y393 Y411I65-I121 HydrophobicContact CG1-CD1 4.48Å; I65-I121 HydrophobicContact CG1-CG1 4.04Å; E68-I121 HydrophobicContact CG-CD1 4.46Å; E68-I121 HydrophobicContact CG-CG1 4.21Å; E68-I121 HydrophobicContact CG-CG2 3.87Å; A117-I121 HydrophobicContact CB-CD1 4.06Å; A117-I121 WeakPolarHBondContact O-CB 3.43Å; A117-I121 WeakPolarHBondContact O-CG1 3.38Å; A117-I121 PolarHBondContact O-N 3.15Å; I121-L123 VanDerWaalsContact C-N 3.28Å; I121-L123 PolarHBondContact O-N 3.45Å; I121-V124 WeakPolarHBondContact O-CB 3.49Å; I121-V124 PolarHBondContact O-N 2.89Å; I121-G125 PolarHBondContact O-N 2.68Å; I121-Y393 WeakPolarHBondContact CD1-OH 3.31Å; I121-Y411 HydrophobicContact CB-CE2 4.11Å; I121-Y411 HydrophobicContact CG2-CD2 3.82Å; I121-Y411 HydrophobicContact CG2-CE2 3.55Å
122P98.9Very high98.7Very high0 Ų04 Ų40%02%0.019CC..Hα-helixtrans-59.7-37.4170.8-25.235.6000113I108 G125 A126 F183 Y411I108-P122 HydrophobicContact CD1-CB 4.15Å; I108-P122 HydrophobicContact CG1-CB 4.35Å; I108-P122 HydrophobicContact CG2-CB 3.97Å; I108-P122 HydrophobicContact CG2-CG 4.41Å; P122-G125 PolarHBondContact O-N 3.26Å; P122-A126 PolarHBondContact O-N 2.91Å; P122-F183 HydrophobicContact CB-CD1 3.96Å; P122-F183 HydrophobicContact CB-CD2 4.14Å; P122-F183 HydrophobicContact CB-CE1 4.06Å; P122-F183 HydrophobicContact CB-CE2 4.21Å; P122-F183 HydrophobicContact CB-CG 4.02Å; P122-F183 HydrophobicContact CB-CZ 4.2Å; P122-F183 HydrophobicContact CG-CD1 3.82Å; P122-F183 HydrophobicContact CG-CE1 3.51Å; P122-F183 HydrophobicContact CG-CE2 4.31Å; P122-F183 HydrophobicContact CG-CG 4.37Å; P122-F183 HydrophobicContact CG-CZ 3.79Å; P122-Y411 HydrophobicContact CG-CD2 4.36Å; P122-Y411 HydrophobicContact CG-CE2 4.16Å
123L98.9Very high98.7Very high0 Ų02.6 Ų2.60%01%0.014CC..Hα-helixtrans-65.6-40.2178.4-179.462.7000112.2I108 T119 L120 I121 G125 A126 I127 A133 V135 L152 L156 Y161I108-L123 HydrophobicContact CD1-CB 3.89Å; I108-L123 HydrophobicContact CD1-CD1 4.13Å; T119-L123 PolarHBondContact O-N 3.03Å; L120-L123 HydrophobicContact CD2-CD2 3.81Å; L120-L123 CarbonylContact O-C 3.59Å; L120-L123 WeakPolarHBondContact O-CB 3.41Å; L120-L123 PolarHBondContact O-N 3.29Å; L120-L123 VanDerWaalsContact O-N 3.13Å; I121-L123 VanDerWaalsContact C-N 3.28Å; I121-L123 PolarHBondContact O-N 3.45Å; L123-G125 VanDerWaalsContact C-N 3.29Å; L123-G125 PolarHBondContact O-N 3.31Å; L123-A126 PolarHBondContact O-N 3.4Å; L123-A126 VanDerWaalsContact O-N 3.14Å; L123-I127 HydrophobicContact CD1-CD1 4.19Å; L123-I127 HydrophobicContact CD1-CG1 4.19Å; L123-I127 HydrophobicContact CD2-CD1 4.49Å; L123-I127 HydrophobicContact CG-CD1 3.88Å; L123-I127 HydrophobicContact CG-CG1 4.34Å; L123-I127 VanDerWaalsContact O-CG1 3.29Å; L123-I127 WeakPolarHBondContact O-CG1 3.39Å; L123-I127 PolarHBondContact O-N 3.11Å; L123-A133 HydrophobicContact CD1-CB 3.68Å; L123-V135 HydrophobicContact CD1-CG2 4.04Å; L123-V135 HydrophobicContact CD2-CG2 4.13Å; L123-L152 HydrophobicContact CD2-CD1 4.13Å; L123-L152 HydrophobicContact CD2-CD2 4.14Å; L123-L156 HydrophobicContact CD2-CD1 4.19Å; L123-Y161 HydrophobicContact CD1-CD1 4Å
124V98.9Very high98.8Very high2 Ų22.4 Ų2.41%0.0121%0.013CC..Hα-helixtrans-54.3-48.5173.9168.30000110.3L28 L31 E68 I69 A72 L120 I121 I127 A128L28-V124 HydrophobicContact CD2-CB 4.48Å; L28-V124 HydrophobicContact CD2-CG1 3.94Å; L31-V124 HydrophobicContact CD2-CG2 3.67Å; E68-V124 HydrophobicContact CB-CG1 4.4Å; I69-V124 HydrophobicContact CD1-CG2 4.32Å; I69-V124 HydrophobicContact CG1-CG1 4.39Å; I69-V124 HydrophobicContact CG1-CG2 3.47Å; I69-V124 VanDerWaalsContact CG1-CG2 3.47Å; A72-V124 HydrophobicContact CB-CG1 3.88Å; L120-V124 VanDerWaalsContact O-CG2 3.3Å; L120-V124 WeakPolarHBondContact O-CG2 3.33Å; L120-V124 PolarHBondContact O-N 3.25Å; I121-V124 WeakPolarHBondContact O-CB 3.49Å; I121-V124 PolarHBondContact O-N 2.89Å; V124-I127 PolarHBondContact O-N 3.38Å; V124-A128 VanDerWaalsContact O-CB 3.3Å; V124-A128 WeakPolarHBondContact O-CB 3.08Å; V124-A128 PolarHBondContact O-N 3.32Å
125G98.8Very high98.8Very high4 Ų41.4 Ų1.44%0.0411%0.009CC..Hα-helixtrans-67.2-36.917700000113.6I121 P122 L123 A128 A129I121-G125 PolarHBondContact O-N 2.68Å; P122-G125 PolarHBondContact O-N 3.26Å; L123-G125 VanDerWaalsContact C-N 3.29Å; L123-G125 PolarHBondContact O-N 3.31Å; G125-A128 PolarHBondContact O-N 3.46Å; G125-A129 VanDerWaalsContact O-CB 3.27Å; G125-A129 WeakPolarHBondContact O-CB 3.22Å; G125-A129 PolarHBondContact O-N 3.03Å
126A98.9Very high98.8Very high0 Ų01.4 Ų1.40%01%0.008CC..Hα-helixtrans-62.2-45.6176.100000111.6I108 P122 L123 A129 G130 N131 A133 L420I108-A126 HydrophobicContact CD1-CB 4.33Å; P122-A126 PolarHBondContact O-N 2.91Å; L123-A126 PolarHBondContact O-N 3.4Å; L123-A126 VanDerWaalsContact O-N 3.14Å; A126-A129 PolarHBondContact O-N 2.95Å; A126-G130 PolarHBondContact O-N 3.39Å; A126-G130 VanDerWaalsContact O-N 3.11Å; A126-N131 HydrophobicContact CB-CB 4.45Å; A126-N131 WeakPolarHBondContact O-CB 3.22Å; A126-N131 PolarHBondContact O-N 2.61Å; A126-N131 PolarHBondContact O-ND2 3.38Å; A126-A133 HydrophobicContact CB-CB 4.23Å; A126-L420 HydrophobicContact CB-CD1 3.82Å
127I98.9Very high98.8Very high0 Ų01.4 Ų1.40%01%0.009CC..Hα-helixtrans-61.5-49.1174.5-66.5167.5000110.1R24 Q27 L28 L31 L123 V124 A129 G130 L156 Y161R24-I127 WeakPolarHBondContact CD-O 3.48Å; R24-I127 WeakPolarHBondContact CG-O 3.41Å; Q27-I127 HydrophobicContact CB-CG2 3.73Å; L28-I127 HydrophobicContact CD2-CB 4.24Å; L28-I127 HydrophobicContact CD2-CG2 3.97Å; L28-I127 HydrophobicContact CG-CG2 3.87Å; L31-I127 HydrophobicContact CD2-CD1 4.45Å; L123-I127 HydrophobicContact CD1-CD1 4.19Å; L123-I127 HydrophobicContact CD1-CG1 4.19Å; L123-I127 HydrophobicContact CD2-CD1 4.49Å; L123-I127 HydrophobicContact CG-CD1 3.88Å; L123-I127 HydrophobicContact CG-CG1 4.34Å; L123-I127 VanDerWaalsContact O-CG1 3.29Å; L123-I127 WeakPolarHBondContact O-CG1 3.39Å; L123-I127 PolarHBondContact O-N 3.11Å; V124-I127 PolarHBondContact O-N 3.38Å; I127-A129 VanDerWaalsContact C-N 3.32Å; I127-A129 PolarHBondContact O-N 3.26Å; I127-G130 WeakPolarHBondContact O-CA 3.46Å; I127-G130 PolarHBondContact O-N 3.34Å; I127-L156 HydrophobicContact CD1-CD1 4.01Å; I127-Y161 HydrophobicContact CD1-CE1 4.46Å; I127-Y161 HydrophobicContact CG1-CD1 4.21Å; I127-Y161 HydrophobicContact CG1-CE1 3.58Å; I127-Y161 HydrophobicContact CG1-CE2 4.44Å
128A98.9Very high98.8Very high0 Ų01.8 Ų1.80%01%0.011CC..Hα-helixtrans-60.5-41.5-179.600000111.8R24 A72 L76 V124 G125 G130 F417R24-A128 VanDerWaalsContact CD-O 3.27Å; R24-A128 WeakPolarHBondContact CD-O 3.47Å; R24-A128 PolarHBondContact NH1-O 3.11Å; A72-A128 HydrophobicContact CB-CB 4.33Å; L76-A128 HydrophobicContact CD1-CB 4.13Å; L76-A128 WeakPolarHBondContact CD1-O 3.43Å; V124-A128 VanDerWaalsContact O-CB 3.3Å; V124-A128 WeakPolarHBondContact O-CB 3.08Å; V124-A128 PolarHBondContact O-N 3.32Å; G125-A128 PolarHBondContact O-N 3.46Å; A128-G130 PolarHBondContact O-N 3.17Å; A128-F417 HydrophobicContact CB-CD2 4.13Å; A128-F417 WeakPolarHBondContact O-CE2 3.29Å
129A98.9Very high98.7Very high1 Ų14.5 Ų4.51%0.0082%0.024CC..Hα-helixtrans-70.4-16.2175.400000113.5R24 P102 G125 A126 I127 N131 F417 L420 S421R24-A129 PolarHBondContact NH1-O 3.33Å; P102-A129 WeakPolarHBondContact CB-O 3.21Å; G125-A129 VanDerWaalsContact O-CB 3.27Å; G125-A129 WeakPolarHBondContact O-CB 3.22Å; G125-A129 PolarHBondContact O-N 3.03Å; A126-A129 PolarHBondContact O-N 2.95Å; I127-A129 VanDerWaalsContact C-N 3.32Å; I127-A129 PolarHBondContact O-N 3.26Å; A129-N131 VanDerWaalsContact CB-ND2 3.3Å; A129-N131 WeakPolarHBondContact CB-ND2 3.38Å; A129-F417 HydrophobicContact CB-CD2 4.22Å; A129-F417 HydrophobicContact CB-CE2 4.44Å; A129-L420 HydrophobicContact CB-CB 4.18Å; A129-L420 WeakPolarHBondContact CB-O 3.33Å; A129-S421 WeakPolarHBondContact CB-OG 3.39Å
130G98.8Very high98.7Very high0 Ų07.4 Ų7.40%04%0.039CC..THydrogen-bonded Turntrans90.423.517600000114R24 P102 A126 I127 A128R24-G130 VanDerWaalsContact CZ-CA 3.46Å; P102-G130 VanDerWaalsContact CB-O 3.32Å; P102-G130 WeakPolarHBondContact CB-O 3.24Å; A126-G130 PolarHBondContact O-N 3.39Å; A126-G130 VanDerWaalsContact O-N 3.11Å; I127-G130 WeakPolarHBondContact O-CA 3.46Å; I127-G130 PolarHBondContact O-N 3.34Å; A128-G130 PolarHBondContact O-N 3.17Å
131N98.9Very high98.7Very high0 Ų07.4 Ų7.40%04%0.039CC..  trans-84.8158.2177.5-61-72.5000111.2P102 L103 G104 V106 A126 A129 Y161 L420P102-N131 WeakPolarHBondContact CB-OD1 3.26Å; L103-N131 PolarHBondContact N-OD1 3.37Å; G104-N131 PolarHBondContact N-OD1 3.31Å; G104-N131 WeakPolarHBondContact O-CA 3.27Å; G104-N131 WeakPolarHBondContact O-CB 3.45Å; V106-N131 HydrophobicContact CG2-CB 3.82Å; A126-N131 HydrophobicContact CB-CB 4.45Å; A126-N131 WeakPolarHBondContact O-CB 3.22Å; A126-N131 PolarHBondContact O-N 2.61Å; A126-N131 PolarHBondContact O-ND2 3.38Å; A129-N131 VanDerWaalsContact CB-ND2 3.3Å; A129-N131 WeakPolarHBondContact CB-ND2 3.38Å; N131-Y161 WeakPolarHBondContact O-CE1 3.11Å; N131-L420 PolarHBondContact ND2-O 2.61Å
132A98.9Very high98.6Very high0 Ų014 Ų140%07%0.068CC..EExtended strand (participates in β ladder)trans-80.3157.3152.400000109.2A9 F13 G104 V105 V106 L160A9-A132 HydrophobicContact CB-CB 4.36Å; F13-A132 HydrophobicContact CB-CB 4.02Å; G104-A132 PolarHBondContact O-N 2.92Å; V105-A132 WeakPolarHBondContact CA-O 3.48Å; V105-A132 HydrophobicContact CG1-CB 4.27Å; V105-A132 HydrophobicContact CG2-CB 4.13Å; V106-A132 PolarHBondContact N-O 3.49Å; A132-L160 WeakPolarHBondContact CA-O 3.38Å; A132-L160 HydrophobicContact CB-CD2 3.73Å; A132-L160 WeakPolarHBondContact CB-O 3.05Å
133A98.8Very high98.6Very high0 Ų015.8 Ų15.80%08%0.079CC..EExtended strand (participates in β ladder)trans-142.5129.1178.200000112.6V106 I108 L123 A126 L160 Y161 P162V106-A133 CarbonylContact O-C 3.55Å; V106-A133 VanDerWaalsContact O-CA 3.22Å; V106-A133 WeakPolarHBondContact O-CA 3.34Å; I108-A133 HydrophobicContact CD1-CB 4.03Å; L123-A133 HydrophobicContact CD1-CB 3.68Å; A126-A133 HydrophobicContact CB-CB 4.23Å; A133-L160 PolarHBondContact N-O 2.65Å; A133-Y161 HydrophobicContact CB-CD1 4.2Å; A133-Y161 VanDerWaalsContact O-CA 3.29Å; A133-Y161 WeakPolarHBondContact O-CA 3.29Å; A133-P162 WeakPolarHBondContact O-CD 3.46Å
134V98.8Very high98.6Very high1 Ų115.9 Ų15.91%0.0068%0.08CC..EExtended strand (participates in β ladder)trans-89.6119.8165.9179.20000107.9L6 V105 V106 L107 I108 P162 V164 L174 F179L6-V134 HydrophobicContact CD1-CG2 4.27Å; V105-V134 HydrophobicContact CG1-CG2 4.15Å; V106-V134 PolarHBondContact O-N 3.48Å; L107-V134 HydrophobicContact CD1-CB 4.16Å; L107-V134 HydrophobicContact CD1-CG1 4.11Å; I108-V134 PolarHBondContact N-O 3.03Å; V134-P162 HydrophobicContact CG2-CG 4.12Å; V134-V164 HydrophobicContact CG1-CG2 3.76Å; V134-L174 HydrophobicContact CG1-CD2 4.15Å; V134-F179 HydrophobicContact CB-CE1 3.93Å; V134-F179 HydrophobicContact CB-CZ 4.38Å; V134-F179 HydrophobicContact CG2-CE1 3.76Å; V134-F179 HydrophobicContact CG2-CZ 4.34Å
135V98.8Very high98.6Very high0 Ų016.1 Ų16.10%08%0.082CC..EExtended strand (participates in β ladder)trans-100.2119.7-175.5-176.30000109.6T119 L123 P137 L148 L152 P162 V163 V164T119-V135 HydrophobicContact CG2-CG1 3.25Å; L123-V135 HydrophobicContact CD1-CG2 4.04Å; L123-V135 HydrophobicContact CD2-CG2 4.13Å; V135-P137 WeakPolarHBondContact O-CD 3.49Å; V135-L148 HydrophobicContact CG1-CD2 4.21Å; V135-L152 HydrophobicContact CB-CD2 4.48Å; V135-L152 HydrophobicContact CG2-CD2 4.06Å; V135-P162 PolarHBondContact N-O 3.46Å; V135-V163 HydrophobicContact CB-CG2 4.33Å; V135-V163 CarbonylContact O-C 3.15Å; V135-V163 VanDerWaalsContact O-CA 3.32Å; V135-V163 WeakPolarHBondContact O-CA 3.4Å; V135-V164 PolarHBondContact O-N 2.91Å
136K98.6Very high98.6Very high6 Ų620.3 Ų20.33%0.02610%0.103CC..EExtended strand (participates in β ladder)trans-116.792.4176.9-164.6-86.7161.4177.80109.4I108 I109 G110 E139 G166 T171 L174I108-K136 PolarHBondContact O-N 3.27Å; I109-K136 WeakPolarHBondContact CA-O 3.31Å; I109-K136 HydrophobicContact CG1-CB 4.45Å; I109-K136 HydrophobicContact CG2-CD 4.15Å; G110-K136 PolarHBondContact N-O 3.48Å; K136-E139 IonicContact NZ-OE2 3.92Å; K136-E139 PolarHBondContact NZ-OE2 3.28Å; K136-G166 WeakPolarHBondContact CE-O 3.48Å; K136-G166 PolarHBondContact NZ-O 3.36Å; K136-T171 WeakPolarHBondContact CE-OG1 3.36Å; K136-T171 PolarHBondContact NZ-OG1 2.88Å; K136-L174 HydrophobicContact CB-CD1 4.23Å; K136-L174 HydrophobicContact CG-CD1 3.95Å
137P98.6Very high98.6Very high2 Ų222.1 Ų22.11%0.01311%0.112CC..  trans-67.1157.1171.226.9-33.1000111.4V135 S145 L148 V163 T165V135-P137 WeakPolarHBondContact O-CD 3.49Å; P137-S145 WeakPolarHBondContact CG-OG 3.18Å; P137-L148 HydrophobicContact CB-CD2 4.09Å; P137-L148 HydrophobicContact CG-CD2 4.27Å; P137-V163 HydrophobicContact CG-CG1 4Å; P137-T165 HydrophobicContact CG-CG2 4.47Å
138S98.3Very high98.6Very high9 Ų922.2 Ų22.26%0.06311%0.113CC..  trans-67.6137.5174.9-177.10000111.7G110 W112 L140 S145G110-S138 PolarHBondContact O-N 3.05Å; W112-S138 WeakPolarHBondContact CB-OG 3.26Å; S138-L140 VanDerWaalsContact C-N 3.26Å; S138-L140 PolarHBondContact O-N 3.19Å; S138-L140 PolarHBondContact OG-N 2.92Å; S138-S145 VanDerWaalsContact O-CB 3.29Å; S138-S145 WeakPolarHBondContact O-CB 3.25Å; S138-S145 PolarHBondContact O-OG 2.76Å
139E97.1Very high98.5Very high69 Ų6926.2 Ų26.232%0.32213%0.131SC..SBendtrans-70.9-19.9174.566.3-86.5-148.300113.5K136 G167K136-E139 IonicContact NZ-OE2 3.92Å; K136-E139 PolarHBondContact NZ-OE2 3.28Å; E139-G167 VanDerWaalsContact CD-CA 3.46Å; E139-G167 VanDerWaalsContact OE1-CA 3.25Å; E139-G167 WeakPolarHBondContact OE1-CA 3.28Å
140L98.2Very high98.5Very high60 Ų6028.9 Ų28.931%0.31415%0.154SC..SBendtrans-71.8-37-178-60.4-174.3000111.5W112 S138 K142 I284W112-L140 HydrophobicContact CB-CB 3.82Å; W112-L140 HydrophobicContact CG-CB 4.05Å; W112-L140 HydrophobicContact CG-CD1 4.06Å; S138-L140 VanDerWaalsContact C-N 3.26Å; S138-L140 PolarHBondContact O-N 3.19Å; S138-L140 PolarHBondContact OG-N 2.92Å; L140-K142 PolarHBondContact O-N 2.84Å; L140-K142 VanDerWaalsContact O-N 3.11Å; L140-I284 HydrophobicContact CB-CG1 3.99Å
141S98.4Very high98.5Very high0 Ų029.8 Ų29.80%016%0.158CC..SBendtrans-88.167.6170.2-560000109.5D49 W112 C143 S144 S145D49-S141 VanDerWaalsContact OD1-C 3.31Å; D49-S141 WeakPolarHBondContact OD2-CB 3.43Å; W112-S141 VanDerWaalsContact CA-OG 3.31Å; W112-S141 WeakPolarHBondContact CA-OG 3.37Å; W112-S141 VanDerWaalsContact CB-OG 3.27Å; W112-S141 WeakPolarHBondContact CB-OG 2.97Å; W112-S141 PolarHBondContact O-OG 2.96Å; S141-C143 PolarHBondContact O-N 3.29Å; S141-S144 PolarHBondContact O-N 3.34Å; S141-S145 VanDerWaalsContact O-CB 3.26Å; S141-S145 WeakPolarHBondContact O-CB 3.33Å; S141-S145 PolarHBondContact O-N 3.39Å
142K98.1Very high98.5Very high141 Ų14129.8 Ų29.861%0.61316%0.158SC*.Hα-helixtrans-56.9-46.6-167.8-178.4-178.7177.8-177.10112.5D49 L140 S145 L146D49-K142 PolarHBondContact OD1-N 3.18Å; D49-K142 VanDerWaalsContact OD1-N 3.08Å; L140-K142 PolarHBondContact O-N 2.84Å; L140-K142 VanDerWaalsContact O-N 3.11Å; K142-S145 PolarHBondContact O-N 3.12Å; K142-L146 HydrophobicContact CG-CD1 4.08Å; K142-L146 WeakPolarHBondContact O-CB 3.4Å; K142-L146 VanDerWaalsContact O-CG 3.31Å; K142-L146 WeakPolarHBondContact O-CG 3.42Å; K142-L146 PolarHBondContact O-N 2.9Å
143C98.6Very high98.4Very high37 Ų3732.3 Ų32.325%0.2518%0.175CC..Hα-helixtrans-66.3-44.3-178-67.70000110.6A45 Q48 D49 S141 S145 L147A45-C143 HydrophobicContact CB-CB 3.96Å; Q48-C143 HydrophobicContact CB-CB 4.27Å; Q48-C143 PolarHBondContact OE1-SG 3.07Å; D49-C143 WeakPolarHBondContact OD1-CB 3.28Å; D49-C143 PolarHBondContact OD1-N 2.8Å; S141-C143 PolarHBondContact O-N 3.29Å; C143-S145 PolarHBondContact O-N 2.97Å; C143-L147 VanDerWaalsContact O-CB 3.28Å; C143-L147 WeakPolarHBondContact O-CB 3.34Å; C143-L147 PolarHBondContact O-N 3.25Å
144S98.6Very high98.4Very high2 Ų237.1 Ų37.11%0.01421%0.207CC..Hα-helixtrans-62.3-43.1176.4-60.30000112.1D49 W116 S141 L147 L148D49-S144 VanDerWaalsContact OD2-CB 3.24Å; D49-S144 WeakPolarHBondContact OD2-CB 3.43Å; D49-S144 PolarHBondContact OD2-N 2.72Å; D49-S144 PolarHBondContact OD2-OG 3.49Å; W116-S144 PolarHBondContact NE1-OG 3.32Å; S141-S144 PolarHBondContact O-N 3.34Å; S144-L147 PolarHBondContact O-N 2.77Å; S144-L148 WeakPolarHBondContact O-CB 3.36Å; S144-L148 PolarHBondContact O-N 2.89Å
145S98.4Very high98.4Very high6 Ų638.9 Ų38.94%0.04221%0.214CC..Hα-helixtrans-62.7-47179.5-176.80000112.6P137 S138 S141 K142 C143 L148 H149P137-S145 WeakPolarHBondContact CG-OG 3.18Å; S138-S145 VanDerWaalsContact O-CB 3.29Å; S138-S145 WeakPolarHBondContact O-CB 3.25Å; S138-S145 PolarHBondContact O-OG 2.76Å; S141-S145 VanDerWaalsContact O-CB 3.26Å; S141-S145 WeakPolarHBondContact O-CB 3.33Å; S141-S145 PolarHBondContact O-N 3.39Å; K142-S145 PolarHBondContact O-N 3.12Å; C143-S145 PolarHBondContact O-N 2.97Å; S145-L148 PolarHBondContact O-N 3.17Å; S145-H149 WeakPolarHBondContact O-CB 2.75Å; S145-H149 PolarHBondContact O-N 3.33Å
146L98.6Very high98.4Very high93 Ų9339.4 Ų39.449%0.48722%0.217SC..Hα-helixtrans-66.8-40.5176.9-69.1174.3000111.9K142 H149 A150K142-L146 HydrophobicContact CG-CD1 4.08Å; K142-L146 WeakPolarHBondContact O-CB 3.4Å; K142-L146 VanDerWaalsContact O-CG 3.31Å; K142-L146 WeakPolarHBondContact O-CG 3.42Å; K142-L146 PolarHBondContact O-N 2.9Å; L146-H149 PolarHBondContact O-N 3.38Å; L146-A150 PolarHBondContact O-N 3.22Å
147L98.8Very high98.4Very high38 Ų3840.4 Ų40.420%0.19922%0.222CC..Hα-helixtrans-64.6-45.3177.3-176.860.8000111.1E41 I42 A45 W116 C143 S144 H149 A150 L151E41-L147 HydrophobicContact CB-CD1 4.47Å; E41-L147 HydrophobicContact CB-CD2 3.93Å; E41-L147 WeakPolarHBondContact O-CD2 3.34Å; I42-L147 HydrophobicContact CG1-CD2 4.28Å; A45-L147 HydrophobicContact CB-CD2 4Å; W116-L147 HydrophobicContact CH2-CB 4.3Å; W116-L147 HydrophobicContact CH2-CD2 4.11Å; W116-L147 HydrophobicContact CH2-CG 3.99Å; W116-L147 HydrophobicContact CZ2-CB 4.15Å; W116-L147 HydrophobicContact CZ2-CD2 3.87Å; W116-L147 HydrophobicContact CZ2-CG 4.09Å; C143-L147 VanDerWaalsContact O-CB 3.28Å; C143-L147 WeakPolarHBondContact O-CB 3.34Å; C143-L147 PolarHBondContact O-N 3.25Å; S144-L147 PolarHBondContact O-N 2.77Å; L147-H149 VanDerWaalsContact C-N 3.31Å; L147-H149 PolarHBondContact O-N 2.9Å; L147-A150 PolarHBondContact O-N 2.95Å; L147-A150 VanDerWaalsContact O-N 3.16Å; L147-L151 HydrophobicContact CD1-CD1 3.74Å; L147-L151 HydrophobicContact CD1-CD2 4.39Å; L147-L151 HydrophobicContact CD1-CG 3.84Å; L147-L151 HydrophobicContact CD2-CD1 4.3Å; L147-L151 HydrophobicContact CG-CD1 3.7Å; L147-L151 HydrophobicContact CG-CG 4.17Å; L147-L151 WeakPolarHBondContact O-CB 3.45Å; L147-L151 VanDerWaalsContact O-CG 3.31Å; L147-L151 WeakPolarHBondContact O-CG 3.37Å; L147-L151 PolarHBondContact O-N 3.31Å
148L98.6Very high98.4Very high2 Ų246.6 Ų46.61%0.0125%0.249CC..Hα-helixtrans-60.1-42.4176.5-178.763.4000111.7M34 W116 T119 L120 V135 P137 S144 S145 A150 L151 L152M34-L148 HydrophobicContact CE-CD1 4.46Å; W116-L148 HydrophobicContact CE3-CD1 4.22Å; W116-L148 HydrophobicContact CH2-CB 3.92Å; W116-L148 HydrophobicContact CH2-CD1 4.3Å; W116-L148 HydrophobicContact CZ2-CB 4.5Å; W116-L148 HydrophobicContact CZ3-CB 4.12Å; W116-L148 HydrophobicContact CZ3-CD1 3.66Å; W116-L148 HydrophobicContact CZ3-CG 4.46Å; T119-L148 HydrophobicContact CG2-CD2 3.75Å; L120-L148 HydrophobicContact CD2-CD1 4.03Å; V135-L148 HydrophobicContact CG1-CD2 4.21Å; P137-L148 HydrophobicContact CB-CD2 4.09Å; P137-L148 HydrophobicContact CG-CD2 4.27Å; S144-L148 WeakPolarHBondContact O-CB 3.36Å; S144-L148 PolarHBondContact O-N 2.89Å; S145-L148 PolarHBondContact O-N 3.17Å; L148-A150 VanDerWaalsContact C-N 3.31Å; L148-A150 PolarHBondContact O-N 2.96Å; L148-L151 PolarHBondContact O-N 2.91Å; L148-L152 HydrophobicContact CD1-CB 4.4Å; L148-L152 HydrophobicContact CD1-CD1 4.19Å; L148-L152 WeakPolarHBondContact O-CB 3.29Å; L148-L152 PolarHBondContact O-N 3.48Å
149H98.4Very high98.4Very high83 Ų8348 Ų4838%0.38426%0.256SS..Hα-helixtrans-60.5-38.8175.6178.274.6000112.8S145 L146 L147 P153 V163 T165S145-H149 WeakPolarHBondContact O-CB 2.75Å; S145-H149 PolarHBondContact O-N 3.33Å; L146-H149 PolarHBondContact O-N 3.38Å; L147-H149 VanDerWaalsContact C-N 3.31Å; L147-H149 PolarHBondContact O-N 2.9Å; H149-P153 WeakPolarHBondContact O-CD 3.49Å; H149-V163 HydrophobicContact CB-CB 4.31Å; H149-V163 HydrophobicContact CB-CG1 3.89Å; H149-V163 PolarHBondContact ND1-O 2.75Å; H149-V163 VanDerWaalsContact ND1-O 3.15Å; H149-T165 HydrophobicContact CB-CG2 3.65Å
150A98.6Very high98.4Very high58 Ų5844.7 Ų44.748%0.47924%0.24SC..Hα-helixtrans-74.6-35.5177.800000113.1L146 L147 L148 C154L146-A150 PolarHBondContact O-N 3.22Å; L147-A150 PolarHBondContact O-N 2.95Å; L147-A150 VanDerWaalsContact O-N 3.16Å; L148-A150 VanDerWaalsContact C-N 3.31Å; L148-A150 PolarHBondContact O-N 2.96Å; A150-C154 PolarHBondContact O-SG 3.2Å; A150-C154 VanDerWaalsContact O-SG 3.32Å
151L98.6Very high98.5Very high18 Ų1841.9 Ų41.99%0.09423%0.226CC..Hα-helixtrans-84.2-46.9-174.1-68.8-179.9000113.1M34 K38 W116 L147 L148 P153 C154 Y155M34-L151 HydrophobicContact CG-CB 4.34Å; M34-L151 HydrophobicContact SD-CB 3.93Å; K38-L151 HydrophobicContact CB-CD1 3.86Å; K38-L151 HydrophobicContact CD-CD1 4.43Å; K38-L151 HydrophobicContact CD-CD2 4Å; K38-L151 HydrophobicContact CG-CD1 3.82Å; K38-L151 HydrophobicContact CG-CD2 3.96Å; W116-L151 HydrophobicContact CH2-CD1 4.29Å; L147-L151 HydrophobicContact CD1-CD1 3.74Å; L147-L151 HydrophobicContact CD1-CD2 4.39Å; L147-L151 HydrophobicContact CD1-CG 3.84Å; L147-L151 HydrophobicContact CD2-CD1 4.3Å; L147-L151 HydrophobicContact CG-CD1 3.7Å; L147-L151 HydrophobicContact CG-CG 4.17Å; L147-L151 WeakPolarHBondContact O-CB 3.45Å; L147-L151 VanDerWaalsContact O-CG 3.31Å; L147-L151 WeakPolarHBondContact O-CG 3.37Å; L147-L151 PolarHBondContact O-N 3.31Å; L148-L151 PolarHBondContact O-N 2.91Å; L151-P153 VanDerWaalsContact C-CD 3.47Å; L151-C154 VanDerWaalsContact O-CB 3.28Å; L151-C154 WeakPolarHBondContact O-CB 3.31Å; L151-C154 PolarHBondContact O-N 3.45Å; L151-Y155 HydrophobicContact CD2-CE2 4.5Å; L151-Y155 WeakPolarHBondContact O-CD2 3.49Å
152L98.4Very high98.5Very high0 Ų042.3 Ų42.30%023%0.228CC..Hα-helixtrans-54.7-43.9-168.7-15772.8000113.4L31 M34 L120 L123 V135 L148 C154 Y155 L156 V163L31-L152 HydrophobicContact CD1-CD1 4.2Å; M34-L152 HydrophobicContact CE-CD1 4.26Å; M34-L152 HydrophobicContact SD-CD1 4.09Å; L120-L152 HydrophobicContact CD2-CD1 4.39Å; L123-L152 HydrophobicContact CD2-CD1 4.13Å; L123-L152 HydrophobicContact CD2-CD2 4.14Å; V135-L152 HydrophobicContact CB-CD2 4.48Å; V135-L152 HydrophobicContact CG2-CD2 4.06Å; L148-L152 HydrophobicContact CD1-CB 4.4Å; L148-L152 HydrophobicContact CD1-CD1 4.19Å; L148-L152 WeakPolarHBondContact O-CB 3.29Å; L148-L152 PolarHBondContact O-N 3.48Å; L152-C154 PolarHBondContact O-N 3.03Å; L152-Y155 PolarHBondContact O-N 2.87Å; L152-L156 HydrophobicContact CD1-CD1 3.64Å; L152-L156 HydrophobicContact CD1-CG 4.13Å; L152-L156 HydrophobicContact CG-CD1 3.98Å; L152-L156 HydrophobicContact CG-CG 4.35Å; L152-L156 PolarHBondContact O-N 2.92Å; L152-V163 HydrophobicContact CB-CG2 3.67Å; L152-V163 HydrophobicContact CD2-CG2 3.38Å; L152-V163 HydrophobicContact CG-CG2 4.16Å
153P98.1Very high98.5Very high54 Ų5436 Ų3635%0.35120%0.201SC..Hα-helixtrans-68.6-15.7178.1-19.333.9000114.8H149 L151 K158H149-P153 WeakPolarHBondContact O-CD 3.49Å; L151-P153 VanDerWaalsContact C-CD 3.47Å; P153-K158 HydrophobicContact CB-CB 4.11Å
154C98.6Very high98.4Very high101 Ų10134.3 Ų34.368%0.68219%0.19SC*.Hα-helixtrans-80.4-21.2176.8-62.60000112.4A150 L151 L152A150-C154 PolarHBondContact O-SG 3.2Å; A150-C154 VanDerWaalsContact O-SG 3.32Å; L151-C154 VanDerWaalsContact O-CB 3.28Å; L151-C154 WeakPolarHBondContact O-CB 3.31Å; L151-C154 PolarHBondContact O-N 3.45Å; L152-C154 PolarHBondContact O-N 3.03Å
155Y98.8Very high98.4Very high37 Ų3736.2 Ų36.215%0.14520%0.202CC..Hα-helixtrans-113.5-40.9-176.1-70.4-94.6000112.5A30 R33 M34 E37 L151 L152A30-Y155 VanDerWaalsContact CB-O 3.27Å; A30-Y155 WeakPolarHBondContact CB-O 3.34Å; R33-Y155 HydrophobicContact CB-CD1 4.46Å; R33-Y155 HydrophobicContact CB-CE1 4.39Å; M34-Y155 HydrophobicContact CB-CD1 3.7Å; M34-Y155 HydrophobicContact CB-CD2 3.77Å; M34-Y155 HydrophobicContact CB-CE1 4.01Å; M34-Y155 HydrophobicContact CB-CE2 4.08Å; M34-Y155 HydrophobicContact CB-CG 3.58Å; M34-Y155 HydrophobicContact CG-CD1 4.39Å; M34-Y155 HydrophobicContact CG-CD2 3.54Å; M34-Y155 HydrophobicContact CG-CE2 3.75Å; M34-Y155 HydrophobicContact CG-CG 3.91Å; M34-Y155 HydrophobicContact SD-CD2 4.15Å; E37-Y155 VanDerWaalsContact OE2-CE1 3.26Å; E37-Y155 WeakPolarHBondContact OE2-CE1 3.32Å; E37-Y155 PolarHBondContact OE2-OH 3.04Å; L151-Y155 HydrophobicContact CD2-CE2 4.5Å; L151-Y155 WeakPolarHBondContact O-CD2 3.49Å; L152-Y155 PolarHBondContact O-N 2.87Å
156L98.7Very high98.2Very high11 Ų1136.8 Ų36.86%0.05821%0.208CC..SBendtrans-101.4165.5-176.8-57.9-168.1000112.4Q27 A30 L31 L123 I127 L152 K158 Y161Q27-L156 HydrophobicContact CB-CD2 4.36Å; Q27-L156 VanDerWaalsContact O-CD2 3.25Å; Q27-L156 WeakPolarHBondContact O-CD2 3.37Å; A30-L156 HydrophobicContact CB-CD2 3.98Å; L31-L156 HydrophobicContact CB-CD2 4.16Å; L31-L156 HydrophobicContact CD1-CD1 4.43Å; L123-L156 HydrophobicContact CD2-CD1 4.19Å; I127-L156 HydrophobicContact CD1-CD1 4.01Å; L152-L156 HydrophobicContact CD1-CD1 3.64Å; L152-L156 HydrophobicContact CD1-CG 4.13Å; L152-L156 HydrophobicContact CG-CD1 3.98Å; L152-L156 HydrophobicContact CG-CG 4.35Å; L152-L156 PolarHBondContact O-N 2.92Å; L156-K158 PolarHBondContact O-N 3.13Å; L156-Y161 HydrophobicContact CB-CD2 3.89Å; L156-Y161 HydrophobicContact CD1-CD2 4.21Å; L156-Y161 HydrophobicContact CD1-CG 4.33Å
157D98.6Very high98Very high27 Ų2733.1 Ų33.114%0.14419%0.194CC..  trans-60.1107.2170.2-175.4-56.7000110.9R17 F23 D159 L160 Y161R17-D157 IonicContact CZ-OD1 2.84Å; R17-D157 IonicContact CZ-OD2 2.66Å; R17-D157 IonicContact NE-OD1 3.55Å; R17-D157 IonicContact NE-OD2 3.69Å; R17-D157 PolarHBondContact NE-OD2 2.82Å; R17-D157 IonicContact NH1-OD2 2.84Å; R17-D157 IonicContact NH2-OD1 2.86Å; R17-D157 PolarHBondContact NH2-OD1 3.04Å; R17-D157 IonicContact NH2-OD2 3.93Å; R17-D157 PolarHBondContact NH2-OD2 3.46Å; F23-D157 HydrophobicContact CZ-CB 4.08Å; D157-D159 PolarHBondContact O-N 2.55Å; D157-D159 PolarHBondContact OD1-N 3.36Å; D157-L160 HydrophobicContact CB-CB 4.18Å; D157-L160 HydrophobicContact CB-CD1 4.14Å; D157-L160 HydrophobicContact CB-CG 4.5Å; D157-L160 PolarHBondContact O-N 2.65Å; D157-L160 PolarHBondContact OD1-N 2.86Å; D157-Y161 HydrophobicContact CB-CD2 4.07Å; D157-Y161 HydrophobicContact CB-CE2 4.08Å; D157-Y161 WeakPolarHBondContact O-CD2 3.33Å; D157-Y161 PolarHBondContact O-N 3.43Å
158K97.5Very high97.8Very high133 Ų13335.8 Ų35.858%0.57821%0.211SC*.THydrogen-bonded Turntrans-63.8-22.3-173.967.8-179.2-179179.20115.1P153 L156P153-K158 HydrophobicContact CB-CB 4.11Å; L156-K158 PolarHBondContact O-N 3.13Å
159D98.2Very high97.6Very high38 Ų3838.9 Ų38.920%0.20323%0.233CC..THydrogen-bonded Turntrans-87.2-35.4178.7-37.6-52.2000110.2Q8 A9 A12 R17 D157Q8-D159 HydrophobicContact CG-CB 3.76Å; Q8-D159 PolarHBondContact NE2-OD1 3.42Å; A9-D159 WeakPolarHBondContact CA-O 3.43Å; A9-D159 WeakPolarHBondContact CB-O 3.31Å; A12-D159 HydrophobicContact CB-CB 3.83Å; R17-D159 IonicContact CZ-OD2 3.12Å; R17-D159 IonicContact NH1-OD2 2.71Å; R17-D159 VanDerWaalsContact NH2-CB 3.27Å; R17-D159 IonicContact NH2-OD2 3.64Å; R17-D159 PolarHBondContact NH2-OD2 3.02Å; D157-D159 PolarHBondContact O-N 2.55Å; D157-D159 PolarHBondContact OD1-N 3.36Å
160L98.7Very high97.6Very high0 Ų037.8 Ų37.80%023%0.228CC..THydrogen-bonded Turntrans-75.9-32.9177-76.1170.9000113A12 R17 A18 F23 A132 A133 D157A12-L160 HydrophobicContact CB-CD2 3.67Å; A12-L160 HydrophobicContact CB-CG 3.89Å; R17-L160 HydrophobicContact CG-CD1 4.02Å; A18-L160 HydrophobicContact CB-CD1 4.06Å; A18-L160 HydrophobicContact CB-CD2 4.28Å; F23-L160 HydrophobicContact CE1-CD1 3.43Å; F23-L160 VanDerWaalsContact CE1-CD1 3.43Å; F23-L160 HydrophobicContact CZ-CD1 3.54Å; A132-L160 WeakPolarHBondContact CA-O 3.38Å; A132-L160 HydrophobicContact CB-CD2 3.73Å; A132-L160 WeakPolarHBondContact CB-O 3.05Å; A133-L160 PolarHBondContact N-O 2.65Å; D157-L160 HydrophobicContact CB-CB 4.18Å; D157-L160 HydrophobicContact CB-CD1 4.14Å; D157-L160 HydrophobicContact CB-CG 4.5Å; D157-L160 PolarHBondContact O-N 2.65Å; D157-L160 PolarHBondContact OD1-N 2.86Å
161Y98.7Very high97.5Very high1 Ų136.1 Ų36.10%0.00421%0.212CC..SBendtrans-126.554.6-171.4-45.2-67.4000113.5Q27 L123 I127 N131 A133 L156 D157Q27-Y161 HydrophobicContact CB-CE2 4.43Å; Q27-Y161 HydrophobicContact CG-CE2 3.92Å; L123-Y161 HydrophobicContact CD1-CD1 4Å; I127-Y161 HydrophobicContact CD1-CE1 4.46Å; I127-Y161 HydrophobicContact CG1-CD1 4.21Å; I127-Y161 HydrophobicContact CG1-CE1 3.58Å; I127-Y161 HydrophobicContact CG1-CE2 4.44Å; N131-Y161 WeakPolarHBondContact O-CE1 3.11Å; A133-Y161 HydrophobicContact CB-CD1 4.2Å; A133-Y161 VanDerWaalsContact O-CA 3.29Å; A133-Y161 WeakPolarHBondContact O-CA 3.29Å; L156-Y161 HydrophobicContact CB-CD2 3.89Å; L156-Y161 HydrophobicContact CD1-CD2 4.21Å; L156-Y161 HydrophobicContact CD1-CG 4.33Å; D157-Y161 HydrophobicContact CB-CD2 4.07Å; D157-Y161 HydrophobicContact CB-CE2 4.08Å; D157-Y161 WeakPolarHBondContact O-CD2 3.33Å; D157-Y161 PolarHBondContact O-N 3.43Å
162P98.3Very high97.4Very high8 Ų839.8 Ų39.85%0.05223%0.229CC..  trans-69.6145.3-18030.5-36.7000112.1L5 A9 A133 V134 V135L5-P162 HydrophobicContact CD2-CB 4.12Å; A9-P162 HydrophobicContact CB-CG 4.35Å; A133-P162 WeakPolarHBondContact O-CD 3.46Å; V134-P162 HydrophobicContact CG2-CG 4.12Å; V135-P162 PolarHBondContact N-O 3.46Å
163V98.4Very high97.3Very high8 Ų843.5 Ų43.55%0.04825%0.246CC..BIsolated β-bridgetrans-102.3126174.4-173.50000110.3V135 P137 H149 L152V135-V163 HydrophobicContact CB-CG2 4.33Å; V135-V163 CarbonylContact O-C 3.15Å; V135-V163 VanDerWaalsContact O-CA 3.32Å; V135-V163 WeakPolarHBondContact O-CA 3.4Å; P137-V163 HydrophobicContact CG-CG1 4Å; H149-V163 HydrophobicContact CB-CB 4.31Å; H149-V163 HydrophobicContact CB-CG1 3.89Å; H149-V163 PolarHBondContact ND1-O 2.75Å; H149-V163 VanDerWaalsContact ND1-O 3.15Å; L152-V163 HydrophobicContact CB-CG2 3.67Å; L152-V163 HydrophobicContact CD2-CG2 3.38Å; L152-V163 HydrophobicContact CG-CG2 4.16Å
164V97.8Very high97.3Very high2 Ų241 Ų411%0.01223%0.23CC..  trans-109.4114.4174.1-178.20000108.9E2 L5 V134 V135 L174E2-V164 HydrophobicContact CG-CG1 4.43Å; L5-V164 HydrophobicContact CD1-CG2 3.77Å; V134-V164 HydrophobicContact CG1-CG2 3.76Å; V135-V164 PolarHBondContact O-N 2.91Å; V164-L174 HydrophobicContact CB-CD1 4.15Å; V164-L174 HydrophobicContact CG1-CD1 3.95Å; V164-L174 HydrophobicContact CG2-CD2 4.41Å
165T97Very high97.2Very high42 Ų4236.9 Ų36.926%0.25820%0.201SC..  trans-91.4154.617157.50000110.1P137 H149P137-T165 HydrophobicContact CG-CG2 4.47Å; H149-T165 HydrophobicContact CB-CG2 3.65Å
166G94.8Very high97.2Very high18 Ų1841.6 Ų41.619%0.18622%0.218CC..  trans145169.5-179.300000112.5K136K136-G166 WeakPolarHBondContact CE-O 3.48Å; K136-G166 PolarHBondContact NZ-O 3.36Å
167G94.6Very high97.1Very high17 Ų1742.2 Ų42.218%0.17522%0.221CC..  trans-94.2-146.9-177.300000113.6E139 S169 E170 T171E139-G167 VanDerWaalsContact CD-CA 3.46Å; E139-G167 VanDerWaalsContact OE1-CA 3.25Å; E139-G167 WeakPolarHBondContact OE1-CA 3.28Å; G167-S169 VanDerWaalsContact C-N 3.3Å; G167-S169 PolarHBondContact O-N 2.69Å; G167-E170 PolarHBondContact N-OE2 3.07Å; G167-T171 WeakPolarHBondContact O-CB 3.41Å; G167-T171 PolarHBondContact O-N 2.77Å; G167-T171 PolarHBondContact O-OG1 2.84Å
168V93.7Very high97.1Very high94 Ų9448.1 Ų48.157%0.5724%0.242SC*.Hα-helixtrans-57.9-41177.5177.20000112.1T171 Q172V168-T171 PolarHBondContact O-N 3.01Å; V168-Q172 HydrophobicContact CG1-CG 4.3Å; V168-Q172 WeakPolarHBondContact O-CB 3.31Å; V168-Q172 VanDerWaalsContact O-CG 3.29Å; V168-Q172 WeakPolarHBondContact O-CG 3.31Å; V168-Q172 PolarHBondContact O-N 2.99Å
169S96Very high97.2Very high67 Ų6741.9 Ų41.947%0.46921%0.214SC..Hα-helixtrans-60.6-52.6-178.4178.70000111.7G167 T171 Q172 Q173G167-S169 VanDerWaalsContact C-N 3.3Å; G167-S169 PolarHBondContact O-N 2.69Å; S169-T171 VanDerWaalsContact C-N 3.34Å; S169-T171 PolarHBondContact O-N 3.19Å; S169-Q172 PolarHBondContact O-N 3.13Å; S169-Q173 WeakPolarHBondContact O-CG 3.21Å; S169-Q173 PolarHBondContact O-N 3.31Å
170E96.8Very high97.2Very high60 Ų6042.4 Ų42.428%0.2822%0.217SC..Hα-helixtrans-65.2-39.7180-65.272.6-157.900111G167 Q172 Q173 L174G167-E170 PolarHBondContact N-OE2 3.07Å; E170-Q172 PolarHBondContact O-N 2.96Å; E170-Q173 PolarHBondContact O-N 3.04Å; E170-L174 PolarHBondContact O-N 3.42Å
171T97.1Very high97.2Very high22 Ų2242.5 Ų42.514%0.13522%0.218CC..Hα-helixtrans-60.2-44.2175-54.30000111.2I109 K136 G167 V168 S169 Q173 L174 L175I109-T171 HydrophobicContact CD1-CG2 4.14Å; K136-T171 WeakPolarHBondContact CE-OG1 3.36Å; K136-T171 PolarHBondContact NZ-OG1 2.88Å; G167-T171 WeakPolarHBondContact O-CB 3.41Å; G167-T171 PolarHBondContact O-N 2.77Å; G167-T171 PolarHBondContact O-OG1 2.84Å; V168-T171 PolarHBondContact O-N 3.01Å; S169-T171 VanDerWaalsContact C-N 3.34Å; S169-T171 PolarHBondContact O-N 3.19Å; T171-Q173 VanDerWaalsContact C-N 3.34Å; T171-Q173 PolarHBondContact O-N 3.03Å; T171-L174 PolarHBondContact O-N 3.18Å; T171-L175 HydrophobicContact CG2-CD1 4.05Å; T171-L175 HydrophobicContact CG2-CG 4.47Å; T171-L175 WeakPolarHBondContact O-CB 3.23Å; T171-L175 VanDerWaalsContact O-CG 3.3Å; T171-L175 WeakPolarHBondContact O-CG 3.48Å; T171-L175 PolarHBondContact O-N 3.43Å
172Q96Very high97.2Very high96 Ų9642.5 Ų42.545%0.44922%0.218SC..Hα-helixtrans-64.9-36.2175.9-74.5177.4-000112.6V168 S169 E170 R176V168-Q172 HydrophobicContact CG1-CG 4.3Å; V168-Q172 WeakPolarHBondContact O-CB 3.31Å; V168-Q172 VanDerWaalsContact O-CG 3.29Å; V168-Q172 WeakPolarHBondContact O-CG 3.31Å; V168-Q172 PolarHBondContact O-N 2.99Å; S169-Q172 PolarHBondContact O-N 3.13Å; E170-Q172 PolarHBondContact O-N 2.96Å; Q172-R176 WeakPolarHBondContact O-CG 3.5Å; Q172-R176 PolarHBondContact O-N 2.77Å
173Q97.2Very high97.3Very high78 Ų7842.1 Ų42.136%0.36422%0.215SC..Hα-helixtrans-66.8-42.4175.1-64.3-61.9-11.200111.6E2 S169 E170 T171 R176E2-Q173 HydrophobicContact CG-CB 4.31Å; S169-Q173 WeakPolarHBondContact O-CG 3.21Å; S169-Q173 PolarHBondContact O-N 3.31Å; E170-Q173 PolarHBondContact O-N 3.04Å; T171-Q173 VanDerWaalsContact C-N 3.34Å; T171-Q173 PolarHBondContact O-N 3.03Å; Q173-R176 VanDerWaalsContact NE2-NH1 3.13Å; Q173-R176 PolarHBondContact O-N 3.29Å
174L97.4Very high97.3Very high2 Ų242.9 Ų42.91%0.0122%0.217CC..Hα-helixtrans-58.7-50.8173.4-75.1169.1000110.9E2 L107 V134 K136 V164 E170 T171 R176 L177 F179E2-L174 HydrophobicContact CB-CD2 3.91Å; E2-L174 HydrophobicContact CB-CG 4.36Å; E2-L174 HydrophobicContact CG-CD2 4.19Å; E2-L174 HydrophobicContact CG-CG 4.17Å; L107-L174 HydrophobicContact CD1-CD1 4.24Å; L107-L174 HydrophobicContact CD2-CB 4.36Å; V134-L174 HydrophobicContact CG1-CD2 4.15Å; K136-L174 HydrophobicContact CB-CD1 4.23Å; K136-L174 HydrophobicContact CG-CD1 3.95Å; V164-L174 HydrophobicContact CB-CD1 4.15Å; V164-L174 HydrophobicContact CG1-CD1 3.95Å; V164-L174 HydrophobicContact CG2-CD2 4.41Å; E170-L174 PolarHBondContact O-N 3.42Å; T171-L174 PolarHBondContact O-N 3.18Å; L174-R176 PolarHBondContact O-N 3.48Å; L174-L177 HydrophobicContact CD2-CD1 4.5Å; L174-L177 VanDerWaalsContact O-CB 3.27Å; L174-L177 WeakPolarHBondContact O-CB 3.38Å; L174-L177 PolarHBondContact O-N 3.37Å; L174-F179 HydrophobicContact CD2-CZ 4.23Å; L174-F179 WeakPolarHBondContact O-CE2 3.27Å
175L97.9Very high97.4Very high14 Ų1443.1 Ų43.17%0.07322%0.219CC..Hα-helixtrans-62.1-18.2-177.7-72.7172.2000114.4L107 I109 T171 L177 I182 V194 A197L107-L175 HydrophobicContact CD2-CD2 4.04Å; I109-L175 HydrophobicContact CD1-CD2 4.18Å; T171-L175 HydrophobicContact CG2-CD1 4.05Å; T171-L175 HydrophobicContact CG2-CG 4.47Å; T171-L175 WeakPolarHBondContact O-CB 3.23Å; T171-L175 VanDerWaalsContact O-CG 3.3Å; T171-L175 WeakPolarHBondContact O-CG 3.48Å; T171-L175 PolarHBondContact O-N 3.43Å; L175-L177 VanDerWaalsContact C-N 3.28Å; L175-I182 HydrophobicContact CD2-CD1 4.13Å; L175-I182 HydrophobicContact CD2-CG2 4.43Å; L175-V194 HydrophobicContact CD1-CG2 4.02Å; L175-V194 HydrophobicContact CD2-CB 4.47Å; L175-V194 HydrophobicContact CD2-CG1 4.13Å; L175-V194 HydrophobicContact CD2-CG2 4.25Å; L175-A197 HydrophobicContact CB-CB 3.78Å; L175-A197 HydrophobicContact CD2-CB 4.43Å; L175-A197 HydrophobicContact CG-CB 4.48Å
176R97.6Very high97.4Very high135 Ų13541.9 Ų41.951%0.50922%0.215SC..THydrogen-bonded Turntrans-74.4-20.1171.7-70.8166.5-174.2177-0.9112.9Q172 Q173 L174 H201Q172-R176 WeakPolarHBondContact O-CG 3.5Å; Q172-R176 PolarHBondContact O-N 2.77Å; Q173-R176 VanDerWaalsContact NE2-NH1 3.13Å; Q173-R176 PolarHBondContact O-N 3.29Å; L174-R176 PolarHBondContact O-N 3.48Å; R176-H201 PolarHBondContact O-NE2 3.08Å
177L98Very high97.4Very high24 Ų2442.8 Ų42.813%0.12622%0.224CC..SBendtrans-84.8160.4-177.6-51.8174.7000111.3E2 R3 L6 L174 L175 F179 H201E2-L177 HydrophobicContact CB-CD1 4.29Å; R3-L177 HydrophobicContact CB-CD2 4.31Å; R3-L177 HydrophobicContact CG-CD2 4.38Å; L6-L177 HydrophobicContact CB-CD1 4.14Å; L6-L177 HydrophobicContact CD2-CB 3.4Å; L6-L177 VanDerWaalsContact CD2-CB 3.4Å; L6-L177 HydrophobicContact CD2-CD1 3.71Å; L6-L177 HydrophobicContact CD2-CG 4.1Å; L174-L177 HydrophobicContact CD2-CD1 4.5Å; L174-L177 VanDerWaalsContact O-CB 3.27Å; L174-L177 WeakPolarHBondContact O-CB 3.38Å; L174-L177 PolarHBondContact O-N 3.37Å; L175-L177 VanDerWaalsContact C-N 3.28Å; L177-F179 HydrophobicContact CB-CE2 4.1Å; L177-H201 PolarHBondContact O-CD2 3.46Å
178R98.2Very high97.4Very high151 Ų15143.6 Ų43.657%0.5723%0.227SC*.  trans-87.5112.9-179.9179.1174.1175.6179.71.4111K10 H201K10-R178 VanDerWaalsContact CE-O 3.3Å; K10-R178 WeakPolarHBondContact CE-O 3.49Å; K10-R178 PolarHBondContact NZ-O 2.88Å; R178-H201 HydrophobicContact CG-CB 4.23Å
179F98.8Very high97.5Very high2 Ų244.4 Ų44.41%0.00923%0.232CC..  trans-108.4157.8168.1-67.4-85.1000110.4L6 V105 L107 V134 L174 L177 I182 T203L6-F179 HydrophobicContact CD1-CD1 3.96Å; L6-F179 HydrophobicContact CD1-CE1 3.49Å; L6-F179 VanDerWaalsContact CD1-CE1 3.49Å; L6-F179 HydrophobicContact CD1-CZ 4.01Å; L6-F179 HydrophobicContact CD2-CE1 4.44Å; L6-F179 HydrophobicContact CD2-CE2 4.47Å; L6-F179 HydrophobicContact CD2-CZ 4.21Å; V105-F179 HydrophobicContact CB-CD1 4.46Å; V105-F179 HydrophobicContact CG1-CD1 4.09Å; V105-F179 HydrophobicContact CG1-CE1 4.22Å; L107-F179 HydrophobicContact CB-CB 4.4Å; L107-F179 HydrophobicContact CB-CD1 3.64Å; L107-F179 HydrophobicContact CB-CD2 3.92Å; L107-F179 HydrophobicContact CB-CE1 3.75Å; L107-F179 HydrophobicContact CB-CE2 4.03Å; L107-F179 HydrophobicContact CB-CG 3.72Å; L107-F179 HydrophobicContact CB-CZ 3.95Å; L107-F179 HydrophobicContact CD1-CE1 4.27Å; L107-F179 HydrophobicContact CD1-CE2 4.4Å; L107-F179 HydrophobicContact CD1-CZ 3.96Å; L107-F179 HydrophobicContact CD2-CD2 4.06Å; L107-F179 HydrophobicContact CD2-CE2 3.78Å; L107-F179 HydrophobicContact CD2-CZ 4.19Å; L107-F179 HydrophobicContact CG-CE1 4.47Å; L107-F179 HydrophobicContact CG-CE2 4.29Å; L107-F179 HydrophobicContact CG-CZ 4.25Å; V134-F179 HydrophobicContact CB-CE1 3.93Å; V134-F179 HydrophobicContact CB-CZ 4.38Å; V134-F179 HydrophobicContact CG2-CE1 3.76Å; V134-F179 HydrophobicContact CG2-CZ 4.34Å; L174-F179 HydrophobicContact CD2-CZ 4.23Å; L174-F179 WeakPolarHBondContact O-CE2 3.27Å; L177-F179 HydrophobicContact CB-CE2 4.1Å; F179-I182 HydrophobicContact CB-CG1 4.11Å; F179-T203 HydrophobicContact CB-CG2 4.33Å; F179-T203 WeakPolarHBondContact O-CG2 3.47Å; F179-T203 PolarHBondContact O-OG1 3.37Å
180D98.9Very high97.5Very high49 Ų4943.1 Ų43.126%0.26223%0.225SC..SBendtrans-89.9-15.9178.1-55.8-68.6000111.6L103 G104 V105 P204L103-D180 HydrophobicContact CB-CB 4.06Å; L103-D180 WeakPolarHBondContact O-CB 3.21Å; G104-D180 WeakPolarHBondContact CA-OD2 3.16Å; V105-D180 PolarHBondContact N-OD2 3.21Å; V105-D180 PolarHBondContact O-N 2.88Å; D180-P204 WeakPolarHBondContact O-CD 3.47Å; D180-P204 VanDerWaalsContact O-CG 3.29Å; D180-P204 WeakPolarHBondContact O-CG 3.3Å
181H98.9Very high97.6Very high2 Ų240.3 Ų40.31%0.00921%0.213CC..EExtended strand (participates in β ladder)trans-155.7149.3165-161.691.3000110.3L103 V106 L107 P204 T206 L420L103-H181 HydrophobicContact CD1-CB 3.74Å; V106-H181 WeakPolarHBondContact CA-O 3.27Å; V106-H181 HydrophobicContact CG1-CB 4.23Å; V106-H181 HydrophobicContact CG2-CB 4.13Å; L107-H181 PolarHBondContact N-O 3.47Å; H181-P204 WeakPolarHBondContact CA-O 3.44Å; H181-T206 PolarHBondContact NE2-N 3.39Å; H181-T206 PolarHBondContact NE2-OG1 3.49Å; H181-L420 HydrophobicContact CB-CD2 4.24Å; H181-L420 VanDerWaalsContact CD2-CD2 3.47Å; H181-L420 WeakPolarHBondContact CD2-CD2 3.47Å
182I98.9Very high97.7Very high1 Ų145.1 Ų45.11%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-120.9120.1169.3-61.3159.4000109.4L107 I109 L175 F179 V194 A198 T203 P204 V205 T206L107-I182 HydrophobicContact CB-CG1 4.08Å; L107-I182 HydrophobicContact CB-CG2 4.4Å; L107-I182 HydrophobicContact CD2-CG1 4.27Å; L107-I182 HydrophobicContact CD2-CG2 4.18Å; L107-I182 HydrophobicContact CG-CG2 4.44Å; I109-I182 HydrophobicContact CD1-CG2 4.43Å; L175-I182 HydrophobicContact CD2-CD1 4.13Å; L175-I182 HydrophobicContact CD2-CG2 4.43Å; F179-I182 HydrophobicContact CB-CG1 4.11Å; I182-V194 HydrophobicContact CG2-CG1 3.6Å; I182-A198 HydrophobicContact CD1-CB 3.82Å; I182-T203 HydrophobicContact CD1-CG2 3.88Å; I182-T203 HydrophobicContact CG1-CG2 3.82Å; I182-P204 PolarHBondContact N-O 3.02Å; I182-V205 HydrophobicContact CB-CG1 4.28Å; I182-V205 CarbonylContact O-C 3.5Å; I182-V205 VanDerWaalsContact O-CA 3.23Å; I182-V205 WeakPolarHBondContact O-CA 3.48Å; I182-T206 PolarHBondContact O-N 3.19Å
183F98.9Very high97.8Very high1 Ų145.2 Ų45.20%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-103.2120.9173.5-162.6-68.8000108.7L107 I108 I109 P122 T206 E208 Y411L107-F183 PolarHBondContact O-N 3.28Å; I108-F183 HydrophobicContact CG1-CB 4.39Å; I109-F183 PolarHBondContact N-O 3.06Å; P122-F183 HydrophobicContact CB-CD1 3.96Å; P122-F183 HydrophobicContact CB-CD2 4.14Å; P122-F183 HydrophobicContact CB-CE1 4.06Å; P122-F183 HydrophobicContact CB-CE2 4.21Å; P122-F183 HydrophobicContact CB-CG 4.02Å; P122-F183 HydrophobicContact CB-CZ 4.2Å; P122-F183 HydrophobicContact CG-CD1 3.82Å; P122-F183 HydrophobicContact CG-CE1 3.51Å; P122-F183 HydrophobicContact CG-CE2 4.31Å; P122-F183 HydrophobicContact CG-CG 4.37Å; P122-F183 HydrophobicContact CG-CZ 3.79Å; F183-T206 HydrophobicContact CD2-CG2 3.88Å; F183-T206 HydrophobicContact CE2-CG2 3.5Å; F183-T206 HydrophobicContact CZ-CG2 3.87Å; F183-E208 HydrophobicContact CE1-CG 3.96Å; F183-E208 HydrophobicContact CZ-CG 3.91Å; F183-Y411 HydrophobicContact CE2-CD1 4.3Å; F183-Y411 HydrophobicContact CE2-CD2 4.34Å; F183-Y411 AromaticContact CE2-CG 3.97Å; F183-Y411 HydrophobicContact CE2-CG 3.97Å; F183-Y411 AromaticContact CZ-CD1 3.68Å; F183-Y411 HydrophobicContact CZ-CD1 3.68Å; F183-Y411 AromaticContact CZ-CD2 3.91Å; F183-Y411 HydrophobicContact CZ-CD2 3.91Å; F183-Y411 AromaticContact CZ-CE1 3.98Å; F183-Y411 HydrophobicContact CZ-CE1 3.98Å; F183-Y411 HydrophobicContact CZ-CE2 4.24Å; F183-Y411 AromaticContact CZ-CG 3.66Å; F183-Y411 HydrophobicContact CZ-CG 3.66Å
184Y98.9Very high97.8Very high23 Ų2341.7 Ų41.79%0.0922%0.219CC..EExtended strand (participates in β ladder)trans-129.7129.2-178.6171.7-97.7000110.7I109 G186 G187 A190 V194 T206 L207 E208 L209I109-Y184 HydrophobicContact CB-CD2 3.82Å; I109-Y184 HydrophobicContact CD1-CD2 4.14Å; I109-Y184 HydrophobicContact CG2-CD2 3.68Å; I109-Y184 HydrophobicContact CG2-CE2 3.98Å; Y184-G186 WeakPolarHBondContact OH-CA 3.38Å; Y184-G187 PolarHBondContact OH-N 3.1Å; Y184-G187 VanDerWaalsContact OH-N 3.16Å; Y184-A190 VanDerWaalsContact OH-CB 3.22Å; Y184-A190 WeakPolarHBondContact OH-CB 3.42Å; Y184-V194 HydrophobicContact CD2-CG2 3.86Å; Y184-V194 HydrophobicContact CE2-CG2 4.33Å; Y184-V194 HydrophobicContact CG-CG2 3.99Å; Y184-T206 PolarHBondContact N-O 3.06Å; Y184-L207 HydrophobicContact CD1-CD2 4.22Å; Y184-L207 WeakPolarHBondContact O-CA 3.41Å; Y184-E208 PolarHBondContact O-N 3.33Å; Y184-L209 HydrophobicContact CD1-CD2 3.81Å; Y184-L209 HydrophobicContact CE1-CD2 3.62Å
185T98.9Very high97.9Very high7 Ų745.8 Ų45.84%0.04324%0.239CC..EExtended strand (participates in β ladder)trans-113.9129.4165.7-52.30000109.9I109 A111 L118 E208I109-T185 PolarHBondContact O-N 3.49Å; I109-T185 VanDerWaalsContact O-N 3.13Å; A111-T185 HydrophobicContact CB-CG2 4.03Å; L118-T185 HydrophobicContact CD1-CG2 3.98Å; L118-T185 HydrophobicContact CD2-CG2 4.23Å; L118-T185 HydrophobicContact CG-CG2 4.46Å; T185-E208 VanDerWaalsContact CA-O 3.29Å; T185-E208 WeakPolarHBondContact CA-O 3.16Å; T185-E208 HydrophobicContact CG2-CB 3.89Å
186G97.9Very high97.9Very high17 Ų1750.7 Ų50.718%0.17526%0.261CS..SBendtrans158.7-150.9174.400000114.9Y184 E208 L209Y184-G186 WeakPolarHBondContact OH-CA 3.38Å; G186-E208 PolarHBondContact N-O 2.76Å; G186-L209 WeakPolarHBondContact O-CA 3.39Å; G186-L209 WeakPolarHBondContact O-CD2 3.44Å
187G95.6Very high98Very high36 Ų3645 Ų4537%0.37124%0.244SC..  trans-75.8145.8-175.300000113.3Y184 T189 A190 G191Y184-G187 PolarHBondContact OH-N 3.1Å; Y184-G187 VanDerWaalsContact OH-N 3.16Å; G187-T189 VanDerWaalsContact C-N 3.3Å; G187-T189 PolarHBondContact O-N 3.13Å; G187-A190 PolarHBondContact O-N 2.99Å; G187-A190 VanDerWaalsContact O-N 3.14Å; G187-G191 PolarHBondContact O-N 3.21Å
188S94.4Very high98Very high35 Ų3544 Ų4425%0.24524%0.238CC..Hα-helixtrans-60.8-33.1-176.663.70000114.4G191 K192 Q405S188-G191 PolarHBondContact O-N 3.41Å; S188-K192 WeakPolarHBondContact O-CG 3.29Å; S188-K192 PolarHBondContact O-N 2.99Å; S188-Q405 VanDerWaalsContact CB-NE2 3.3Å; S188-Q405 PolarHBondContact OG-NE2 2.84Å; S188-Q405 VanDerWaalsContact OG-NE2 3.13Å
189T95.1Very high98Very high111 Ų11140 Ų4068%0.68124%0.237SC*.Hα-helixtrans-59.6-47.6174.5-570000111.8G187 K192G187-T189 VanDerWaalsContact C-N 3.3Å; G187-T189 PolarHBondContact O-N 3.13Å; T189-K192 PolarHBondContact O-N 2.96Å
190A96.6Very high98Very high39 Ų3948.2 Ų48.232%0.32227%0.268SS..Hα-helixtrans-73.2-34177.600000111.8Y184 G187 K192 L193 V194Y184-A190 VanDerWaalsContact OH-CB 3.22Å; Y184-A190 WeakPolarHBondContact OH-CB 3.42Å; G187-A190 PolarHBondContact O-N 2.99Å; G187-A190 VanDerWaalsContact O-N 3.14Å; A190-K192 VanDerWaalsContact C-N 3.29Å; A190-K192 PolarHBondContact O-N 3.08Å; A190-L193 WeakPolarHBondContact O-CB 3.34Å; A190-L193 PolarHBondContact O-N 3.41Å; A190-L193 VanDerWaalsContact O-N 3.09Å; A190-V194 WeakPolarHBondContact O-CG2 2.92Å; A190-V194 PolarHBondContact O-N 2.93Å
191G98.3Very high98Very high1 Ų149.2 Ų49.21%0.0127%0.271CS..Hα-helixtrans-56-40.3172.300000113.3G187 S188 V194 M195G187-G191 PolarHBondContact O-N 3.21Å; S188-G191 PolarHBondContact O-N 3.41Å; G191-V194 PolarHBondContact O-N 3.28Å; G191-M195 PolarHBondContact O-N 3.4Å
192K98.5Very high98Very high123 Ų12356.8 Ų56.854%0.53531%0.311SS..Hα-helixtrans-61.7-43173.9-70.8172-176.9178.90112.1S188 T189 A190 M195 E196S188-K192 WeakPolarHBondContact O-CG 3.29Å; S188-K192 PolarHBondContact O-N 2.99Å; T189-K192 PolarHBondContact O-N 2.96Å; A190-K192 VanDerWaalsContact C-N 3.29Å; A190-K192 PolarHBondContact O-N 3.08Å; K192-M195 PolarHBondContact O-N 2.99Å; K192-E196 WeakPolarHBondContact O-CB 3.2Å; K192-E196 PolarHBondContact O-N 3.05Å
193L98.3Very high98Very high99 Ų9957.3 Ų57.352%0.51831%0.314SS..Hα-helixtrans-65.8-37.6177.1-61.9175.1000112.2A190 E196 A197A190-L193 WeakPolarHBondContact O-CB 3.34Å; A190-L193 PolarHBondContact O-N 3.41Å; A190-L193 VanDerWaalsContact O-N 3.09Å; L193-E196 PolarHBondContact O-N 2.86Å; L193-A197 WeakPolarHBondContact O-CB 3.28Å; L193-A197 PolarHBondContact O-N 3.36Å
194V98.8Very high98Very high4 Ų460.3 Ų60.32%0.02433%0.334CS..Hα-helixtrans-61.5-48.9173.7170.40000110.4I109 L175 I182 Y184 A190 G191 E196 A197 A198 L207I109-V194 HydrophobicContact CD1-CG2 4.33Å; L175-V194 HydrophobicContact CD1-CG2 4.02Å; L175-V194 HydrophobicContact CD2-CB 4.47Å; L175-V194 HydrophobicContact CD2-CG1 4.13Å; L175-V194 HydrophobicContact CD2-CG2 4.25Å; I182-V194 HydrophobicContact CG2-CG1 3.6Å; Y184-V194 HydrophobicContact CD2-CG2 3.86Å; Y184-V194 HydrophobicContact CE2-CG2 4.33Å; Y184-V194 HydrophobicContact CG-CG2 3.99Å; A190-V194 WeakPolarHBondContact O-CG2 2.92Å; A190-V194 PolarHBondContact O-N 2.93Å; G191-V194 PolarHBondContact O-N 3.28Å; V194-E196 PolarHBondContact O-N 3.07Å; V194-A197 PolarHBondContact O-N 2.94Å; V194-A198 WeakPolarHBondContact O-CB 3.36Å; V194-A198 PolarHBondContact O-N 3.32Å; V194-L207 HydrophobicContact CB-CD2 4.47Å; V194-L207 HydrophobicContact CG1-CD2 4.08Å
195M98.7Very high98Very high87 Ų8760 Ų6043%0.42934%0.335SS..Hα-helixtrans-63.6-40.2179.2-167.1179.2-178.900112.2G191 K192 A197 A198 A199 V205 L207 M408G191-M195 PolarHBondContact O-N 3.4Å; K192-M195 PolarHBondContact O-N 2.99Å; M195-A197 VanDerWaalsContact C-N 3.35Å; M195-A197 PolarHBondContact O-N 2.92Å; M195-A198 PolarHBondContact O-N 3.46Å; M195-A199 PolarHBondContact O-N 3.21Å; M195-V205 HydrophobicContact CG-CG2 4.33Å; M195-L207 HydrophobicContact CB-CD1 4.22Å; M195-L207 HydrophobicContact SD-CD1 4.42Å; M195-M408 HydrophobicContact CE-CE 3.7Å; M195-M408 HydrophobicContact CE-SD 4.09Å; M195-M408 HydrophobicContact SD-CE 3.72Å; M195-M408 HydrophobicContact SD-SD 4.38Å
196E98.7Very high98Very high117 Ų11759.7 Ų59.755%0.54733%0.333SS..Hα-helixtrans-60.4-43.9175-172.2-168.9151.300111.6K192 L193 V194 A199K192-E196 WeakPolarHBondContact O-CB 3.2Å; K192-E196 PolarHBondContact O-N 3.05Å; L193-E196 PolarHBondContact O-N 2.86Å; V194-E196 PolarHBondContact O-N 3.07Å; E196-A199 PolarHBondContact O-N 2.75Å
197A98.5Very high98Very high17 Ų1759.2 Ų59.214%0.1433%0.326CS..Hα-helixtrans-66.5-41.8176.800000112L175 L193 V194 M195 A199 R200L175-A197 HydrophobicContact CB-CB 3.78Å; L175-A197 HydrophobicContact CD2-CB 4.43Å; L175-A197 HydrophobicContact CG-CB 4.48Å; L193-A197 WeakPolarHBondContact O-CB 3.28Å; L193-A197 PolarHBondContact O-N 3.36Å; V194-A197 PolarHBondContact O-N 2.94Å; M195-A197 VanDerWaalsContact C-N 3.35Å; M195-A197 PolarHBondContact O-N 2.92Å; A197-A199 VanDerWaalsContact C-N 3.29Å; A197-A199 PolarHBondContact O-N 2.97Å; A197-R200 WeakPolarHBondContact O-CB 3.46Å; A197-R200 PolarHBondContact O-N 2.94Å
198A98.8Very high98.2Very high2 Ų257.7 Ų57.72%0.01731%0.309CS..Hα-helixtrans-60.3-37.2177.900000112.6I182 V194 M195 R200 H201 L202 T203 V205I182-A198 HydrophobicContact CD1-CB 3.82Å; V194-A198 WeakPolarHBondContact O-CB 3.36Å; V194-A198 PolarHBondContact O-N 3.32Å; M195-A198 PolarHBondContact O-N 3.46Å; A198-R200 PolarHBondContact O-N 3.04Å; A198-R200 VanDerWaalsContact O-N 3.15Å; A198-H201 PolarHBondContact O-N 2.97Å; A198-H201 VanDerWaalsContact O-N 3.07Å; A198-L202 PolarHBondContact O-N 3.05Å; A198-T203 PolarHBondContact O-N 3.23Å; A198-V205 HydrophobicContact CB-CG1 3.44Å; A198-V205 VanDerWaalsContact CB-CG1 3.44Å
199A98.7Very high98.4Very high66 Ų6656.5 Ų56.555%0.54530%0.3SS..Hα-helixtrans-58.4-29179.300000113.2M195 E196 A197 H201 L202M195-A199 PolarHBondContact O-N 3.21Å; E196-A199 PolarHBondContact O-N 2.75Å; A197-A199 VanDerWaalsContact C-N 3.29Å; A197-A199 PolarHBondContact O-N 2.97Å; A199-H201 PolarHBondContact O-N 2.69Å; A199-L202 PolarHBondContact O-N 3.31Å
200R98.3Very high98.4Very high176 Ų17651.5 Ų51.566%0.66427%0.271SS*.THydrogen-bonded Turntrans-63.3-25.9178.3-61.6-175.9-179.4-1720.6113.4A197 A198A197-R200 WeakPolarHBondContact O-CB 3.46Å; A197-R200 PolarHBondContact O-N 2.94Å; A198-R200 PolarHBondContact O-N 3.04Å; A198-R200 VanDerWaalsContact O-N 3.15Å
201H98.6Very high98.4Very high69 Ų6950.7 Ų50.732%0.31927%0.266SS..THydrogen-bonded Turntrans-114.74.8-178.9-63.2-61.9000112.9R176 L177 R178 A198 A199 T203R176-H201 PolarHBondContact O-NE2 3.08Å; L177-H201 PolarHBondContact O-CD2 3.46Å; R178-H201 HydrophobicContact CG-CB 4.23Å; A198-H201 PolarHBondContact O-N 2.97Å; A198-H201 VanDerWaalsContact O-N 3.07Å; A199-H201 PolarHBondContact O-N 2.69Å; H201-T203 WeakPolarHBondContact CB-OG1 3.34Å; H201-T203 PolarHBondContact O-N 3.19Å
202L98.8Very high98.4Very high161 Ų16152 Ų5284%0.84327%0.271SS*.THydrogen-bonded Turntrans52.935.6-169-56.5176.1000112.2A198 A199A198-L202 PolarHBondContact O-N 3.05Å; A199-L202 PolarHBondContact O-N 3.31Å
203T98.9Very high98.4Very high13 Ų1346.1 Ų46.18%0.0825%0.245CC..  trans-77.5124.8-179.2-60.80000109.5F179 I182 A198 H201F179-T203 HydrophobicContact CB-CG2 4.33Å; F179-T203 WeakPolarHBondContact O-CG2 3.47Å; F179-T203 PolarHBondContact O-OG1 3.37Å; I182-T203 HydrophobicContact CD1-CG2 3.88Å; I182-T203 HydrophobicContact CG1-CG2 3.82Å; A198-T203 PolarHBondContact O-N 3.23Å; H201-T203 WeakPolarHBondContact CB-OG1 3.34Å; H201-T203 PolarHBondContact O-N 3.19Å
204P98.8Very high98.5Very high64 Ų6441.4 Ų41.442%0.41622%0.221SC..  trans-64.2150.6171.527.6-33.9000110.9D180 H181 I182D180-P204 WeakPolarHBondContact O-CD 3.47Å; D180-P204 VanDerWaalsContact O-CG 3.29Å; D180-P204 WeakPolarHBondContact O-CG 3.3Å; H181-P204 WeakPolarHBondContact CA-O 3.44Å; I182-P204 PolarHBondContact N-O 3.02Å
205V98.9Very high98.5Very high17 Ų1741.2 Ų41.210%0.10322%0.22CC..EExtended strand (participates in β ladder)trans-127148.1-178.1-59.10000111.8I182 M195 A198 L207 M408I182-V205 HydrophobicContact CB-CG1 4.28Å; I182-V205 CarbonylContact O-C 3.5Å; I182-V205 VanDerWaalsContact O-CA 3.23Å; I182-V205 WeakPolarHBondContact O-CA 3.48Å; M195-V205 HydrophobicContact CG-CG2 4.33Å; A198-V205 HydrophobicContact CB-CG1 3.44Å; A198-V205 VanDerWaalsContact CB-CG1 3.44Å; V205-L207 HydrophobicContact CB-CD2 4.13Å; V205-L207 HydrophobicContact CB-CG 4.24Å; V205-L207 HydrophobicContact CG2-CD1 4.14Å; V205-L207 HydrophobicContact CG2-CD2 4.26Å; V205-L207 HydrophobicContact CG2-CG 3.9Å; V205-M408 HydrophobicContact CG2-CG 4.38Å; V205-M408 HydrophobicContact CG2-SD 3.84Å
206T98.9Very high98.5Very high0 Ų037.2 Ų37.20%020%0.2CC..EExtended strand (participates in β ladder)trans-114.6123157.9-57.50000107.1H181 I182 F183 Y184 E208 M408 Q419H181-T206 PolarHBondContact NE2-N 3.39Å; H181-T206 PolarHBondContact NE2-OG1 3.49Å; I182-T206 PolarHBondContact O-N 3.19Å; F183-T206 HydrophobicContact CD2-CG2 3.88Å; F183-T206 HydrophobicContact CE2-CG2 3.5Å; F183-T206 HydrophobicContact CZ-CG2 3.87Å; Y184-T206 PolarHBondContact N-O 3.06Å; T206-E208 HydrophobicContact CG2-CG 4.45Å; T206-M408 WeakPolarHBondContact CA-O 3.22Å; T206-Q419 WeakPolarHBondContact OG1-CG 3.29Å; T206-Q419 PolarHBondContact OG1-NE2 3.04Å
207L98.9Very high98.5Very high7 Ų731.6 Ų31.64%0.03717%0.174CC..EExtended strand (participates in β ladder)trans-119.3106.2-178-56.5-179.8000108.6Y184 V194 M195 V205 L209 G407 M408Y184-L207 HydrophobicContact CD1-CD2 4.22Å; Y184-L207 WeakPolarHBondContact O-CA 3.41Å; V194-L207 HydrophobicContact CB-CD2 4.47Å; V194-L207 HydrophobicContact CG1-CD2 4.08Å; M195-L207 HydrophobicContact CB-CD1 4.22Å; M195-L207 HydrophobicContact SD-CD1 4.42Å; V205-L207 HydrophobicContact CB-CD2 4.13Å; V205-L207 HydrophobicContact CB-CG 4.24Å; V205-L207 HydrophobicContact CG2-CD1 4.14Å; V205-L207 HydrophobicContact CG2-CD2 4.26Å; V205-L207 HydrophobicContact CG2-CG 3.9Å; L207-L209 HydrophobicContact CB-CD1 4.26Å; L207-L209 HydrophobicContact CB-CD2 4.25Å; L207-L209 HydrophobicContact CB-CG 4.1Å; L207-G407 CarbonylContact O-C 3.5Å; L207-G407 WeakPolarHBondContact O-CA 3.38Å; L207-M408 HydrophobicContact CB-CG 4.24Å; L207-M408 HydrophobicContact CD1-CE 4.47Å; L207-M408 HydrophobicContact CD1-CG 4.18Å; L207-M408 HydrophobicContact CD1-SD 4.48Å; L207-M408 HydrophobicContact CG-CG 4.16Å; L207-M408 PolarHBondContact N-O 2.88Å; L207-M408 PolarHBondContact O-N 2.83Å
208E98.8Very high98.5Very high4 Ų431.6 Ų31.62%0.01917%0.171CC..EExtended strand (participates in β ladder)trans-95.598.4173.5-65-60.615300108.5F183 Y184 T185 G186 T206 G401 Y411F183-E208 HydrophobicContact CE1-CG 3.96Å; F183-E208 HydrophobicContact CZ-CG 3.91Å; Y184-E208 PolarHBondContact O-N 3.33Å; T185-E208 VanDerWaalsContact CA-O 3.29Å; T185-E208 WeakPolarHBondContact CA-O 3.16Å; T185-E208 HydrophobicContact CG2-CB 3.89Å; G186-E208 PolarHBondContact N-O 2.76Å; T206-E208 HydrophobicContact CG2-CG 4.45Å; E208-G401 WeakPolarHBondContact OE1-CA 3.14Å; E208-G401 WeakPolarHBondContact OE2-CA 3.23Å; E208-Y411 HydrophobicContact CG-CD1 4.13Å; E208-Y411 HydrophobicContact CG-CE1 3.74Å; E208-Y411 WeakPolarHBondContact OE1-CD1 3.13Å
209L98.6Very high98.4Very high10 Ų1035.6 Ų35.65%0.05219%0.188CC..  trans-111.4177.6-172.4-46.8173.5000111.6Y184 G186 L207 Q405 S406Y184-L209 HydrophobicContact CD1-CD2 3.81Å; Y184-L209 HydrophobicContact CE1-CD2 3.62Å; G186-L209 WeakPolarHBondContact O-CA 3.39Å; G186-L209 WeakPolarHBondContact O-CD2 3.44Å; L207-L209 HydrophobicContact CB-CD1 4.26Å; L207-L209 HydrophobicContact CB-CD2 4.25Å; L207-L209 HydrophobicContact CB-CG 4.1Å; L209-Q405 WeakPolarHBondContact CD1-O 3.38Å; L209-S406 CarbonylContact C-O 3.49Å; L209-S406 VanDerWaalsContact CA-O 3.32Å; L209-S406 WeakPolarHBondContact CA-O 3.32Å; L209-S406 VanDerWaalsContact CB-O 3.31Å; L209-S406 WeakPolarHBondContact CB-O 3.34Å; L209-S406 PolarHBondContact N-O 2.85Å
210G95.6Very high98.2Very high6 Ų638 Ų386%0.06219%0.192CC..  trans-94.9-163.1179.900000114.2E332 S406G210-E332 WeakPolarHBondContact CA-OE1 3.27Å; G210-S406 VanDerWaalsContact O-CA 3.31Å; G210-S406 WeakPolarHBondContact O-CA 3.49Å; G210-S406 WeakPolarHBondContact O-CB 3.36Å
211G96.5Very high98.1Very high21 Ų2130.5 Ų30.522%0.21617%0.166CC..  trans155.4172.7177.700000110.7S213 E332G211-S213 PolarHBondContact O-N 2.93Å; G211-E332 PolarHBondContact N-OE1 3.11Å; G211-E332 PolarHBondContact N-OE2 3.46Å
212K98.6Very high98.1Very high28 Ų2831.7 Ų31.712%0.12218%0.175CC..  trans-86.891.2178.7-60.4-178.572.3700109.8P214 D246 Y247 L328 M329 E331K212-P214 WeakPolarHBondContact O-CD 3.31Å; K212-D246 HydrophobicContact CB-CB 4.12Å; K212-D246 WeakPolarHBondContact CB-OD1 3.2Å; K212-D246 WeakPolarHBondContact CE-OD1 3.46Å; K212-D246 WeakPolarHBondContact CG-OD1 3.4Å; K212-D246 IonicContact NZ-OD1 3Å; K212-D246 PolarHBondContact NZ-OD1 3.41Å; K212-Y247 HydrophobicContact CB-CD1 4.01Å; K212-Y247 HydrophobicContact CB-CE1 3.71Å; K212-Y247 WeakPolarHBondContact O-CE1 3.45Å; K212-L328 PolarHBondContact NZ-O 2.81Å; K212-M329 WeakPolarHBondContact CD-O 3.36Å; K212-M329 VanDerWaalsContact CE-O 3.26Å; K212-M329 WeakPolarHBondContact CE-O 3.48Å; K212-E331 WeakPolarHBondContact CD-O 2.97Å; K212-E331 PolarHBondContact NZ-O 3.17Å
213S98.9Very high98Very high0 Ų024.5 Ų24.50%014%0.138CC..  trans-66.3110.1179.1-63.20000111.1G211 C242 A244 D246 A361G211-S213 PolarHBondContact O-N 2.93Å; S213-C242 PolarHBondContact OG-O 3.27Å; S213-A244 WeakPolarHBondContact CB-O 3.27Å; S213-D246 PolarHBondContact O-N 3.43Å; S213-A361 VanDerWaalsContact CA-O 3.26Å; S213-A361 WeakPolarHBondContact CA-O 3.3Å; S213-A361 VanDerWaalsContact CB-O 3.24Å; S213-A361 WeakPolarHBondContact CB-O 3.27Å; S213-A361 PolarHBondContact OG-N 2.83Å; S213-A361 PolarHBondContact OG-O 3.32Å
214P98.9Very high98Very high1 Ų129.8 Ų29.81%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-73.2148.9-176.9-4.318.4000111.4K212 Y247 I353 P359 A361 L362 Y363K212-P214 WeakPolarHBondContact O-CD 3.31Å; P214-Y247 HydrophobicContact CB-CE1 4.1Å; P214-Y247 HydrophobicContact CB-CE2 3.98Å; P214-Y247 WeakPolarHBondContact CB-OH 3.23Å; P214-Y247 HydrophobicContact CG-CE1 4.32Å; P214-Y247 WeakPolarHBondContact CG-OH 3.19Å; P214-I353 HydrophobicContact CB-CD1 3.99Å; P214-I353 HydrophobicContact CB-CG1 3.94Å; P214-I353 HydrophobicContact CG-CD1 4.12Å; P214-I353 HydrophobicContact CG-CG1 3.83Å; P214-I353 HydrophobicContact CG-CG2 4.16Å; P214-P359 HydrophobicContact CG-CG 4.12Å; P214-A361 WeakPolarHBondContact CD-O 3.33Å; P214-L362 HydrophobicContact CB-CD1 3.96Å; P214-L362 HydrophobicContact CG-CD1 3.92Å; P214-Y363 PolarHBondContact O-N 3.45Å
215C98.9Very high98Very high0 Ų029.1 Ų29.10%015%0.151CC..EExtended strand (participates in β ladder)trans-126.8102.6168.7-178.50000110.7V230 P245 Y247 I248 L249 Y363C215-V230 WeakPolarHBondContact SG-CG2 3.45Å; C215-P245 HydrophobicContact CB-CB 4.15Å; C215-Y247 WeakPolarHBondContact CB-O 3.39Å; C215-Y247 PolarHBondContact N-O 3.44Å; C215-I248 HydrophobicContact CB-CG1 4.38Å; C215-I248 CarbonylContact O-C 3.52Å; C215-I248 VanDerWaalsContact O-CA 3.28Å; C215-I248 WeakPolarHBondContact O-CA 3.19Å; C215-L249 PolarHBondContact O-N 3.15Å; C215-Y363 WeakPolarHBondContact CA-O 3.39Å
216Y98.9Very high98Very high2 Ų228.3 Ų28.31%0.00815%0.147CC..EExtended strand (participates in β ladder)trans-82.7129.8173.5179.9-105.4000110.6D218 L249 V343 M346 A349 Y363 I364 F365 M375Y216-D218 HydrophobicContact CE1-CB 3.81Å; Y216-L249 CarbonylContact C-O 3.6Å; Y216-L249 WeakPolarHBondContact CA-O 3.42Å; Y216-L249 HydrophobicContact CD2-CB 4.06Å; Y216-V343 HydrophobicContact CE2-CG2 4.29Å; Y216-M346 HydrophobicContact CD1-CE 4.08Å; Y216-M346 HydrophobicContact CE1-CE 3.41Å; Y216-M346 VanDerWaalsContact CE1-CE 3.41Å; Y216-A349 HydrophobicContact CD2-CB 3.54Å; Y216-A349 HydrophobicContact CE2-CB 3.68Å; Y216-A349 HydrophobicContact CG-CB 4.47Å; Y216-Y363 PolarHBondContact N-O 3.16Å; Y216-I364 HydrophobicContact CD1-CG2 4.41Å; Y216-F365 PolarHBondContact O-N 2.99Å; Y216-M375 HydrophobicContact CD1-CE 3.65Å; Y216-M375 HydrophobicContact CD1-SD 4.33Å; Y216-M375 HydrophobicContact CD2-CE 4.18Å; Y216-M375 HydrophobicContact CE1-CE 4.17Å; Y216-M375 HydrophobicContact CG-CE 3.64Å; Y216-M375 HydrophobicContact CG-SD 4.33Å
217I98.9Very high98Very high0 Ų028.3 Ų28.30%015%0.147CC..EExtended strand (participates in β ladder)trans-118.6112172.9-54.7178.9000108.2V223 A226 I248 L249 C250 I254 V258 F365I217-V223 HydrophobicContact CG2-CG1 4.43Å; I217-A226 HydrophobicContact CG2-CB 4.28Å; I217-I248 HydrophobicContact CD1-CD1 4.14Å; I217-I248 HydrophobicContact CD1-CG1 4.36Å; I217-I248 HydrophobicContact CD1-CG2 3.95Å; I217-I248 HydrophobicContact CG1-CG2 4.2Å; I217-L249 PolarHBondContact N-O 3.07Å; I217-C250 HydrophobicContact CB-CB 4.4Å; I217-I254 HydrophobicContact CG2-CD1 4.08Å; I217-I254 WeakPolarHBondContact O-CD1 3.32Å; I217-V258 HydrophobicContact CD1-CG1 4.49Å; I217-V258 HydrophobicContact CD1-CG2 4.36Å; I217-F365 HydrophobicContact CG1-CB 4.31Å; I217-F365 HydrophobicContact CG1-CD2 4.23Å; I217-F365 HydrophobicContact CG2-CB 4.38Å
218D98.4Very high98Very high16 Ų1632.8 Ų32.89%0.08616%0.163CC..  trans-73.2148.7174.8-175.134.1000111.1Y216 D220 C221 F365 C366Y216-D218 HydrophobicContact CE1-CB 3.81Å; D218-D220 VanDerWaalsContact C-N 3.28Å; D218-D220 PolarHBondContact O-N 2.96Å; D218-C221 PolarHBondContact O-SG 2.61Å; D218-F365 WeakPolarHBondContact CB-O 3.41Å; D218-F365 PolarHBondContact N-O 3.16Å; D218-C366 HydrophobicContact CB-CB 3.87Å; D218-C366 PolarHBondContact OD2-SG 3.03Å
219K96.8Very high98Very high86 Ų8637.2 Ų37.237%0.37418%0.18SC..THydrogen-bonded Turntrans-71.4-24.9179.164.5177.6170.5-135.70113.4C221 E251 I254K219-C221 VanDerWaalsContact C-N 3.32Å; K219-C221 PolarHBondContact O-N 3.21Å; K219-E251 WeakPolarHBondContact CD-OE1 3.3Å; K219-E251 VanDerWaalsContact CE-OE1 3.27Å; K219-E251 WeakPolarHBondContact CE-OE1 3.37Å; K219-E251 IonicContact NZ-OE1 3.92Å; K219-E251 PolarHBondContact NZ-OE1 3.18Å; K219-E251 IonicContact NZ-OE2 2.96Å; K219-E251 PolarHBondContact NZ-OE2 2.78Å; K219-I254 HydrophobicContact CB-CD1 4.4Å; K219-I254 HydrophobicContact CB-CG2 3.73Å
220D93.6Very high98Very high117 Ų11736.8 Ų36.863%0.62618%0.177SC*.THydrogen-bonded Turntrans-96.123.4-176.5-63-38.8000112.5D218 S367D218-D220 VanDerWaalsContact C-N 3.28Å; D218-D220 PolarHBondContact O-N 2.96Å; D220-S367 PolarHBondContact O-OG 2.88Å; D220-S367 VanDerWaalsContact O-OG 3.07Å
221C96.5Very high98.2Very high19 Ų1936.5 Ų36.513%0.12817%0.174CC..SBendtrans-107.3172.4171.384.30000112.9D218 K219 V223D218-C221 PolarHBondContact O-SG 2.61Å; K219-C221 VanDerWaalsContact C-N 3.32Å; K219-C221 PolarHBondContact O-N 3.21Å; C221-V223 VanDerWaalsContact C-N 3.27Å; C221-V223 PolarHBondContact O-N 3.05Å
222D98.2Very high98.3Very high93 Ų9339.5 Ų39.550%0.49718%0.179SC..  trans-71.986.2166.2-179.6-6.6000109.6R224 T225 A226D222-R224 PolarHBondContact O-N 3.4Å; D222-R224 WeakPolarHBondContact OD1-CB 3.49Å; D222-R224 PolarHBondContact OD1-N 2.64Å; D222-T225 VanDerWaalsContact CG-CB 3.49Å; D222-T225 VanDerWaalsContact CG-OG1 3.26Å; D222-T225 PolarHBondContact O-N 2.82Å; D222-T225 PolarHBondContact OD1-N 3.12Å; D222-T225 VanDerWaalsContact OD2-CB 3.26Å; D222-T225 WeakPolarHBondContact OD2-CB 3.5Å; D222-T225 PolarHBondContact OD2-OG1 3.35Å; D222-A226 PolarHBondContact O-N 2.74Å
223V98.4Very high98.3Very high11 Ų1138.2 Ų38.27%0.06717%0.173CC..Hα-helixtrans-58.7-33.1-177.1-175.70000111.6I217 C221 A226 C227 V258 F261I217-V223 HydrophobicContact CG2-CG1 4.43Å; C221-V223 VanDerWaalsContact C-N 3.27Å; C221-V223 PolarHBondContact O-N 3.05Å; V223-A226 PolarHBondContact O-N 2.91Å; V223-C227 WeakPolarHBondContact O-CB 3.37Å; V223-C227 PolarHBondContact O-N 2.82Å; V223-C227 PolarHBondContact O-SG 2.88Å; V223-V258 HydrophobicContact CG1-CG2 3.8Å; V223-F261 HydrophobicContact CB-CD2 4.41Å; V223-F261 HydrophobicContact CB-CE2 4.28Å; V223-F261 HydrophobicContact CG1-CD2 4.07Å; V223-F261 HydrophobicContact CG1-CE2 4.29Å
224R98.6Very high98.3Very high123 Ų12338.3 Ų38.346%0.46417%0.174SC..Hα-helixtrans-65.4-49.9177.9177.7-176-73.4-79.30.8110.8D222 A226 C227 R228 F261 E264D222-R224 PolarHBondContact O-N 3.4Å; D222-R224 WeakPolarHBondContact OD1-CB 3.49Å; D222-R224 PolarHBondContact OD1-N 2.64Å; R224-A226 VanDerWaalsContact C-N 3.31Å; R224-A226 PolarHBondContact O-N 2.85Å; R224-C227 PolarHBondContact O-N 2.7Å; R224-R228 PolarHBondContact O-N 3.33Å; R224-F261 HydrophobicContact CB-CD1 4.45Å; R224-F261 HydrophobicContact CB-CD2 3.91Å; R224-F261 HydrophobicContact CB-CE1 4.49Å; R224-F261 HydrophobicContact CB-CE2 3.91Å; R224-F261 HydrophobicContact CB-CG 4.19Å; R224-F261 HydrophobicContact CB-CZ 4.22Å; R224-F261 HydrophobicContact CG-CD1 4.39Å; R224-F261 HydrophobicContact CG-CG 4.39Å; R224-F261 VanDerWaalsContact CZ-CE1 3.49Å; R224-E264 IonicContact CZ-OE2 2.92Å; R224-E264 IonicContact NH1-OE2 2.94Å; R224-E264 PolarHBondContact NH1-OE2 2.91Å; R224-E264 IonicContact NH2-OE2 3.83Å
225T98.8Very high98.3Very high50 Ų5038.3 Ų38.331%0.30717%0.174SC..Hα-helixtrans-63.3-39.8176.8-67.40000111.4D222 R228 R229D222-T225 VanDerWaalsContact CG-CB 3.49Å; D222-T225 VanDerWaalsContact CG-OG1 3.26Å; D222-T225 PolarHBondContact O-N 2.82Å; D222-T225 PolarHBondContact OD1-N 3.12Å; D222-T225 VanDerWaalsContact OD2-CB 3.26Å; D222-T225 WeakPolarHBondContact OD2-CB 3.5Å; D222-T225 PolarHBondContact OD2-OG1 3.35Å; T225-R228 PolarHBondContact O-N 2.9Å; T225-R229 PolarHBondContact O-N 3.01Å; T225-R229 VanDerWaalsContact O-N 3.12Å
226A98.8Very high98.2Very high1 Ų138.7 Ų38.71%0.00818%0.176CC..Hα-helixtrans-58.1-52.4174.900000111.7I217 D222 V223 R224 R228 R229 V230 F365I217-A226 HydrophobicContact CG2-CB 4.28Å; D222-A226 PolarHBondContact O-N 2.74Å; V223-A226 PolarHBondContact O-N 2.91Å; R224-A226 VanDerWaalsContact C-N 3.31Å; R224-A226 PolarHBondContact O-N 2.85Å; A226-R228 VanDerWaalsContact C-N 3.28Å; A226-R228 PolarHBondContact O-N 3.02Å; A226-R229 PolarHBondContact O-N 3.29Å; A226-V230 VanDerWaalsContact O-CG2 3.31Å; A226-V230 WeakPolarHBondContact O-CG2 3.28Å; A226-V230 PolarHBondContact O-N 3.12Å; A226-F365 HydrophobicContact CB-CB 3.9Å; A226-F365 HydrophobicContact CB-CD1 3.29Å; A226-F365 HydrophobicContact CB-CD2 4.35Å; A226-F365 HydrophobicContact CB-CE1 3.84Å; A226-F365 HydrophobicContact CB-CG 3.59Å
227C98.9Very high98.2Very high0 Ų039.1 Ų39.10%018%0.178CC..Hα-helixtrans-60.2-38179.2-69.40000112.3V223 R224 T231 F261 I262V223-C227 WeakPolarHBondContact O-CB 3.37Å; V223-C227 PolarHBondContact O-N 2.82Å; V223-C227 PolarHBondContact O-SG 2.88Å; R224-C227 PolarHBondContact O-N 2.7Å; C227-T231 VanDerWaalsContact O-CB 3.27Å; C227-T231 WeakPolarHBondContact O-CB 3.13Å; C227-T231 PolarHBondContact O-N 3.43Å; C227-T231 PolarHBondContact O-OG1 3.23Å; C227-F261 HydrophobicContact CB-CB 3.6Å; C227-I262 HydrophobicContact CB-CG1 3.93Å
228R98.9Very high98.1Very high101 Ų10139.2 Ų39.238%0.38118%0.179SC..Hα-helixtrans-61.3-48.2176.3-174.4-177.7177.578.8-5.2112.1R224 T225 A226 T231 W232 T265 E268 F269R224-R228 PolarHBondContact O-N 3.33Å; T225-R228 PolarHBondContact O-N 2.9Å; A226-R228 VanDerWaalsContact C-N 3.28Å; A226-R228 PolarHBondContact O-N 3.02Å; R228-T231 PolarHBondContact O-N 3.19Å; R228-W232 PolarHBondContact O-N 2.78Å; R228-W232 VanDerWaalsContact O-N 3.12Å; R228-T265 HydrophobicContact CB-CG2 4.36Å; R228-T265 HydrophobicContact CG-CG2 3.96Å; R228-E268 IonicContact CZ-OE1 3.79Å; R228-E268 IonicContact CZ-OE2 3.7Å; R228-E268 IonicContact NH1-OE1 3.03Å; R228-E268 PolarHBondContact NH1-OE1 2.9Å; R228-E268 IonicContact NH1-OE2 3.33Å; R228-E268 PolarHBondContact NH1-OE2 2.99Å; R228-E268 IonicContact NH2-OE1 3.27Å; R228-E268 PolarHBondContact NH2-OE1 2.79Å; R228-E268 IonicContact NH2-OE2 2.65Å; R228-F269 HydrophobicContact CG-CZ 4.04Å
229R98.9Very high98.1Very high97 Ų9738.5 Ų38.537%0.36618%0.175SC..Hα-helixtrans-64.8-45.3178.7-72.5175.7167.8158.23.9111.6T225 A226 T231 W232 G233 F365 N387 D388 V389T225-R229 PolarHBondContact O-N 3.01Å; T225-R229 VanDerWaalsContact O-N 3.12Å; A226-R229 PolarHBondContact O-N 3.29Å; R229-T231 VanDerWaalsContact C-N 3.35Å; R229-T231 PolarHBondContact O-N 3.04Å; R229-W232 PolarHBondContact O-N 2.92Å; R229-G233 PolarHBondContact O-N 2.84Å; R229-F365 HydrophobicContact CB-CE1 4.13Å; R229-F365 HydrophobicContact CB-CZ 3.99Å; R229-N387 WeakPolarHBondContact CD-O 3.08Å; R229-N387 PolarHBondContact NH1-O 3.5Å; R229-D388 WeakPolarHBondContact CD-OD1 3.42Å; R229-D388 IonicContact NE-OD1 2.98Å; R229-D388 IonicContact NE-OD2 2.88Å; R229-V389 WeakPolarHBondContact O-CG2 3.28Å
230V98.9Very high98.2Very high0 Ų034.4 Ų34.40%016%0.158CC..Hα-helixtrans-61.3-42.8176.4173.80000111.4C215 A226 W232 G233 K234 P245 I248 L338 F365 V389C215-V230 WeakPolarHBondContact SG-CG2 3.45Å; A226-V230 VanDerWaalsContact O-CG2 3.31Å; A226-V230 WeakPolarHBondContact O-CG2 3.28Å; A226-V230 PolarHBondContact O-N 3.12Å; V230-W232 PolarHBondContact O-N 2.78Å; V230-G233 PolarHBondContact O-N 2.92Å; V230-K234 WeakPolarHBondContact O-CB 3.36Å; V230-K234 PolarHBondContact O-N 3Å; V230-P245 HydrophobicContact CG1-CB 4.11Å; V230-P245 HydrophobicContact CG1-CG 4.23Å; V230-I248 HydrophobicContact CG1-CD1 4.04Å; V230-I248 HydrophobicContact CG1-CG1 4.34Å; V230-L338 HydrophobicContact CG1-CD2 4.16Å; V230-F365 HydrophobicContact CG2-CD2 4.21Å; V230-F365 HydrophobicContact CG2-CE2 3.43Å; V230-F365 VanDerWaalsContact CG2-CE2 3.43Å; V230-F365 HydrophobicContact CG2-CZ 3.79Å; V230-V389 HydrophobicContact CG2-CG1 4.23Å
231T98.9Very high98.4Very high0 Ų029.3 Ų29.30%013%0.131CC..Hα-helixtrans-59.5-46.6177.2-58.70000110.7C227 R228 R229 K234 F235 T265 L266 F269C227-T231 VanDerWaalsContact O-CB 3.27Å; C227-T231 WeakPolarHBondContact O-CB 3.13Å; C227-T231 PolarHBondContact O-N 3.43Å; C227-T231 PolarHBondContact O-OG1 3.23Å; R228-T231 PolarHBondContact O-N 3.19Å; R229-T231 VanDerWaalsContact C-N 3.35Å; R229-T231 PolarHBondContact O-N 3.04Å; T231-K234 PolarHBondContact O-N 2.76Å; T231-F235 HydrophobicContact CG2-CD2 3.69Å; T231-F235 HydrophobicContact CG2-CE2 4.08Å; T231-F235 WeakPolarHBondContact O-CD2 3.22Å; T231-F235 PolarHBondContact O-N 2.65Å; T231-T265 HydrophobicContact CG2-CG2 3.7Å; T231-L266 HydrophobicContact CG2-CD2 3.62Å; T231-L266 HydrophobicContact CG2-CG 3.81Å; T231-F269 HydrophobicContact CG2-CD2 4.03Å; T231-F269 HydrophobicContact CG2-CE2 4.09Å
232W98.8Very high98.5Very high85 Ų8529.2 Ų29.232%0.32213%0.13SC..Hα-helixtrans-58.6-55175.9168.977.1000111.5R228 R229 V230 K234 F235 V236 F269 V389 M390 M391R228-W232 PolarHBondContact O-N 2.78Å; R228-W232 VanDerWaalsContact O-N 3.12Å; R229-W232 PolarHBondContact O-N 2.92Å; V230-W232 PolarHBondContact O-N 2.78Å; W232-K234 VanDerWaalsContact C-N 3.27Å; W232-K234 PolarHBondContact O-N 3.49Å; W232-F235 PolarHBondContact O-N 3.11Å; W232-V236 VanDerWaalsContact O-CB 3.25Å; W232-V236 WeakPolarHBondContact O-CB 3.21Å; W232-V236 VanDerWaalsContact O-CG1 3.27Å; W232-V236 WeakPolarHBondContact O-CG1 3.4Å; W232-V236 PolarHBondContact O-N 2.79Å; W232-F269 HydrophobicContact CB-CE2 3.88Å; W232-F269 HydrophobicContact CB-CZ 4.38Å; W232-V389 HydrophobicContact CE3-CG2 3.89Å; W232-V389 HydrophobicContact CZ3-CG2 4.03Å; W232-M390 HydrophobicContact CE3-CE 4.24Å; W232-M390 HydrophobicContact CH2-CB 4.24Å; W232-M390 HydrophobicContact CH2-CE 3.07Å; W232-M390 HydrophobicContact CZ2-CE 3.53Å; W232-M390 HydrophobicContact CZ3-CB 4.13Å; W232-M390 HydrophobicContact CZ3-CE 3.49Å; W232-M390 VanDerWaalsContact CZ3-CE 3.49Å; W232-M390 HydrophobicContact CZ3-CG 4.29Å; W232-M391 HydrophobicContact CH2-CE 3.12Å; W232-M391 HydrophobicContact CZ2-CE 4.16Å; W232-M391 HydrophobicContact CZ3-CE 3.47Å; W232-M391 VanDerWaalsContact CZ3-CE 3.47Å
233G98.6Very high98.5Very high0 Ų025.3 Ų25.30%011%0.109CC..Hα-helixtrans-66.7-25.8-177.500000114.2R229 V230R229-G233 PolarHBondContact O-N 2.84Å; V230-G233 PolarHBondContact O-N 2.92Å
234K98.8Very high98.6Very high2 Ų225 Ų251%0.00911%0.108CC..Hα-helixtrans-78.3-42.4177.8174.564.3-163.5-174.20112.8V230 T231 W232 G239 P245 G335 L337 L338V230-K234 WeakPolarHBondContact O-CB 3.36Å; V230-K234 PolarHBondContact O-N 3Å; T231-K234 PolarHBondContact O-N 2.76Å; W232-K234 VanDerWaalsContact C-N 3.27Å; W232-K234 PolarHBondContact O-N 3.49Å; K234-G239 WeakPolarHBondContact O-CA 3.26Å; K234-G239 PolarHBondContact O-N 2.99Å; K234-P245 WeakPolarHBondContact CD-O 3.34Å; K234-G335 WeakPolarHBondContact CE-O 3.5Å; K234-G335 PolarHBondContact NZ-O 3.5Å; K234-L337 WeakPolarHBondContact CE-O 3.42Å; K234-L337 PolarHBondContact NZ-O 2.87Å; K234-L338 HydrophobicContact CB-CD2 4.5Å; K234-L338 HydrophobicContact CD-CB 4.32Å; K234-L338 HydrophobicContact CD-CD1 4.05Å; K234-L338 HydrophobicContact CG-CB 4.12Å; K234-L338 HydrophobicContact CG-CD1 4.22Å; K234-L338 HydrophobicContact CG-CD2 4.18Å; K234-L338 HydrophobicContact CG-CG 4.41Å
235F98.7Very high98.6Very high1 Ų119.1 Ų19.10%0.0049%0.086CC..Hα-helixtrans-103.8-12.8-167.5-62.3-67.8000113.7T231 W232 N237 C238 I262 L266 Y270 Y280 P316 P336 L338T231-F235 HydrophobicContact CG2-CD2 3.69Å; T231-F235 HydrophobicContact CG2-CE2 4.08Å; T231-F235 WeakPolarHBondContact O-CD2 3.22Å; T231-F235 PolarHBondContact O-N 2.65Å; W232-F235 PolarHBondContact O-N 3.11Å; F235-N237 PolarHBondContact O-N 3.02Å; F235-C238 WeakPolarHBondContact O-CA 3.47Å; F235-C238 PolarHBondContact O-N 3.28Å; F235-I262 HydrophobicContact CE2-CG2 4.35Å; F235-L266 HydrophobicContact CD2-CD2 3.59Å; F235-L266 HydrophobicContact CE2-CD1 4.23Å; F235-L266 HydrophobicContact CE2-CD2 3.83Å; F235-L266 HydrophobicContact CE2-CG 4.36Å; F235-L266 HydrophobicContact CG-CD2 4.09Å; F235-L266 HydrophobicContact CZ-CD1 4.48Å; F235-L266 HydrophobicContact CZ-CD2 4.5Å; F235-Y270 HydrophobicContact CB-CE2 3.92Å; F235-Y280 HydrophobicContact CB-CE2 4.41Å; F235-P316 HydrophobicContact CD1-CB 3.61Å; F235-P316 HydrophobicContact CD1-CG 4.24Å; F235-P316 HydrophobicContact CD2-CB 4.46Å; F235-P316 VanDerWaalsContact CE1-CA 3.45Å; F235-P316 HydrophobicContact CE1-CB 3.55Å; F235-P316 HydrophobicContact CE2-CB 4.41Å; F235-P316 HydrophobicContact CG-CB 4.09Å; F235-P316 HydrophobicContact CZ-CB 3.97Å; F235-P336 HydrophobicContact CD1-CB 3.93Å; F235-P336 HydrophobicContact CE1-CB 4.12Å; F235-P336 WeakPolarHBondContact CE1-O 3.38Å; F235-L338 HydrophobicContact CE2-CD2 4.43Å; F235-L338 HydrophobicContact CZ-CB 4.22Å; F235-L338 HydrophobicContact CZ-CD2 4.48Å
236V97.1Very high98.6Very high9 Ų917 Ų176%0.0557%0.073CC..G310 helixtrans-53.3136.416369.80000109.9L60 W232 C238 G239 M390L60-V236 HydrophobicContact CD1-CG2 3.41Å; L60-V236 VanDerWaalsContact CD1-CG2 3.41Å; L60-V236 HydrophobicContact CD2-CG2 3.76Å; L60-V236 HydrophobicContact CG-CG2 4.23Å; W232-V236 VanDerWaalsContact O-CB 3.25Å; W232-V236 WeakPolarHBondContact O-CB 3.21Å; W232-V236 VanDerWaalsContact O-CG1 3.27Å; W232-V236 WeakPolarHBondContact O-CG1 3.4Å; W232-V236 PolarHBondContact O-N 2.79Å; V236-C238 PolarHBondContact O-N 3.37Å; V236-C238 VanDerWaalsContact O-N 3.08Å; V236-G239 PolarHBondContact O-N 3.08Å; V236-M390 HydrophobicContact CG1-CE 3.68Å; V236-M390 HydrophobicContact CG1-SD 4.09Å
237N97.9Very high98.6Very high10 Ų1017.1 Ų17.15%0.0537%0.073CC..G310 helixtrans55.124.3-175-156.437.6000115I50 R52 N113 F235 G239 Q240I50-N237 WeakPolarHBondContact CD1-OD1 3.48Å; R52-N237 PolarHBondContact NE-OD1 3.01Å; R52-N237 PolarHBondContact NH2-ND2 3.37Å; R52-N237 PolarHBondContact NH2-OD1 3.03Å; N113-N237 PolarHBondContact O-ND2 3.38Å; F235-N237 PolarHBondContact O-N 3.02Å; N237-G239 PolarHBondContact O-N 2.85Å; N237-Q240 PolarHBondContact ND2-O 3Å; N237-Q240 VanDerWaalsContact ND2-O 3.13Å; N237-Q240 WeakPolarHBondContact O-CB 3.22Å; N237-Q240 PolarHBondContact O-N 3.28Å; N237-Q240 PolarHBondContact O-NE2 3.26Å
238C97.8Very high98.6Very high2 Ų217.1 Ų17.11%0.0147%0.073CC..G310 helixtrans55.631.2-170.8-63.90000113.9F235 V236 Q240 Y280 G281 I283 G335 P336F235-C238 WeakPolarHBondContact O-CA 3.47Å; F235-C238 PolarHBondContact O-N 3.28Å; V236-C238 PolarHBondContact O-N 3.37Å; V236-C238 VanDerWaalsContact O-N 3.08Å; C238-Q240 PolarHBondContact O-N 3.18Å; C238-Y280 VanDerWaalsContact SG-CZ 3.6Å; C238-G281 WeakPolarHBondContact SG-CA 3.32Å; C238-G281 PolarHBondContact SG-N 3.46Å; C238-G281 PolarHBondContact SG-O 3.31Å; C238-I283 HydrophobicContact CB-CD1 4.27Å; C238-G335 CarbonylContact O-C 3.58Å; C238-G335 VanDerWaalsContact O-CA 3.22Å; C238-G335 WeakPolarHBondContact O-CA 3.4Å; C238-P336 VanDerWaalsContact O-CD 3.27Å; C238-P336 WeakPolarHBondContact O-CD 3.43Å; C238-P336 VanDerWaalsContact O-N 3.15Å
239G98.3Very high98.6Very high1 Ų112.3 Ų12.31%0.016%0.055CC..G310 helixtrans70.412.318000000114.8K234 V236 N237 T241 F334 G335K234-G239 WeakPolarHBondContact O-CA 3.26Å; K234-G239 PolarHBondContact O-N 2.99Å; V236-G239 PolarHBondContact O-N 3.08Å; N237-G239 PolarHBondContact O-N 2.85Å; G239-T241 PolarHBondContact O-N 2.66Å; G239-F334 CarbonylContact O-C 3.54Å; G239-F334 WeakPolarHBondContact O-CA 3.42Å; G239-G335 PolarHBondContact O-N 3.04Å; G239-G335 VanDerWaalsContact O-N 3.15Å
240Q98.7Very high98.6Very high0 Ų07.7 Ų7.70%04%0.037CC..  trans-80.361.7175.4-60.9171116.600109.7W112 N113 N237 C238 R282 F334W112-Q240 HydrophobicContact CH2-CB 3.98Å; W112-Q240 HydrophobicContact CH2-CG 4.03Å; W112-Q240 HydrophobicContact CZ3-CB 3.9Å; W112-Q240 HydrophobicContact CZ3-CG 4.12Å; N113-Q240 HydrophobicContact CB-CB 4.4Å; N113-Q240 WeakPolarHBondContact CB-O 3.37Å; N113-Q240 PolarHBondContact ND2-O 3.39Å; N237-Q240 PolarHBondContact ND2-O 3Å; N237-Q240 VanDerWaalsContact ND2-O 3.13Å; N237-Q240 WeakPolarHBondContact O-CB 3.22Å; N237-Q240 PolarHBondContact O-N 3.28Å; N237-Q240 PolarHBondContact O-NE2 3.26Å; C238-Q240 PolarHBondContact O-N 3.18Å; Q240-R282 PolarHBondContact NE2-O 3.22Å; Q240-F334 HydrophobicContact CB-CD1 3.91Å; Q240-F334 HydrophobicContact CB-CE1 3.81Å; Q240-F334 HydrophobicContact CG-CD1 4.3Å
241T98.7Very high98.6Very high10 Ų108.9 Ų8.96%0.0614%0.043CC..  trans-145.4125.6-171.7-540000109.6Y114 G239 I243 A244 F334 M390Y114-T241 HydrophobicContact CE2-CG2 3.78Å; Y114-T241 WeakPolarHBondContact CE2-OG1 3.21Å; Y114-T241 PolarHBondContact OH-OG1 2.87Å; G239-T241 PolarHBondContact O-N 2.66Å; T241-I243 HydrophobicContact CG2-CG1 3.71Å; T241-I243 PolarHBondContact O-N 2.85Å; T241-I243 VanDerWaalsContact O-N 3.13Å; T241-A244 WeakPolarHBondContact O-CB 3.48Å; T241-A244 PolarHBondContact O-N 2.92Å; T241-F334 VanDerWaalsContact C-CE2 3.5Å; T241-M390 HydrophobicContact CG2-SD 4.09Å
242C98.3Very high98.5Very high17 Ų1713 Ų1312%0.1157%0.069CC..THydrogen-bonded Turntrans-60.6-27.5-176.5-51.10000112.7S213 F334 L360S213-C242 PolarHBondContact OG-O 3.27Å; C242-F334 HydrophobicContact CB-CE2 4.45Å; C242-L360 HydrophobicContact CB-CD2 3.56Å
243I98.6Very high98.5Very high11 Ų1113 Ų136%0.0568%0.082CC..THydrogen-bonded Turntrans-102.19.9176.464175.4000113.2T241 L360 A361 Y363 M390 Y393 F400T241-I243 HydrophobicContact CG2-CG1 3.71Å; T241-I243 PolarHBondContact O-N 2.85Å; T241-I243 VanDerWaalsContact O-N 3.13Å; I243-L360 HydrophobicContact CG2-CB 4.5Å; I243-L360 HydrophobicContact CG2-CD2 3.47Å; I243-L360 VanDerWaalsContact CG2-CD2 3.47Å; I243-L360 HydrophobicContact CG2-CG 3.77Å; I243-A361 HydrophobicContact CB-CB 4.08Å; I243-A361 HydrophobicContact CG2-CB 4.01Å; I243-Y363 VanDerWaalsContact O-CE2 3.27Å; I243-Y363 WeakPolarHBondContact O-CE2 3.36Å; I243-Y363 VanDerWaalsContact O-CZ 3.31Å; I243-Y363 PolarHBondContact O-OH 3.17Å; I243-M390 HydrophobicContact CD1-CB 3.98Å; I243-M390 HydrophobicContact CD1-CG 4.24Å; I243-M390 HydrophobicContact CG1-CB 4.48Å; I243-M390 HydrophobicContact CG1-CG 4.18Å; I243-M390 HydrophobicContact CG1-SD 4.33Å; I243-Y393 HydrophobicContact CD1-CD2 4.45Å; I243-Y393 HydrophobicContact CD1-CG 4.29Å; I243-F400 HydrophobicContact CG2-CE2 3.9Å; I243-F400 HydrophobicContact CG2-CZ 4.07Å
244A98.8Very high98.5Very high5 Ų513.4 Ų13.44%0.0418%0.084CC..SBendtrans-61.1145.517000000109.2S213 T241 D246S213-A244 WeakPolarHBondContact CB-O 3.27Å; T241-A244 WeakPolarHBondContact O-CB 3.48Å; T241-A244 PolarHBondContact O-N 2.92Å; A244-D246 PolarHBondContact O-N 2.99Å
245P98.8Very high98.5Very high0 Ų014 Ų140%09%0.086CC..  trans-53.8112.9164.1-22.534.2000108.4C215 V230 K234 Y363 V389C215-P245 HydrophobicContact CB-CB 4.15Å; V230-P245 HydrophobicContact CG1-CB 4.11Å; V230-P245 HydrophobicContact CG1-CG 4.23Å; K234-P245 WeakPolarHBondContact CD-O 3.34Å; P245-Y363 HydrophobicContact CB-CD2 4.32Å; P245-Y363 HydrophobicContact CG-CD2 4.03Å; P245-Y363 HydrophobicContact CG-CE2 4.01Å; P245-V389 HydrophobicContact CG-CB 4.11Å; P245-V389 HydrophobicContact CG-CG1 3.76Å; P245-V389 HydrophobicContact CG-CG2 4.48Å
246D98.9Very high98.5Very high6 Ų616.2 Ų16.23%0.03211%0.11CC..  trans-81.6-41.1-177.2-173.9-89.3000109.7K212 S213 A244 I333 P339K212-D246 HydrophobicContact CB-CB 4.12Å; K212-D246 WeakPolarHBondContact CB-OD1 3.2Å; K212-D246 WeakPolarHBondContact CE-OD1 3.46Å; K212-D246 WeakPolarHBondContact CG-OD1 3.4Å; K212-D246 IonicContact NZ-OD1 3Å; K212-D246 PolarHBondContact NZ-OD1 3.41Å; S213-D246 PolarHBondContact O-N 3.43Å; A244-D246 PolarHBondContact O-N 2.99Å; D246-I333 WeakPolarHBondContact O-CD1 3.29Å; D246-I333 WeakPolarHBondContact OD2-CB 3.46Å; D246-I333 WeakPolarHBondContact OD2-CG1 3.36Å; D246-I333 PolarHBondContact OD2-N 2.68Å; D246-P339 WeakPolarHBondContact O-CD 3.48Å
247Y98.9Very high98.5Very high3 Ų320.4 Ų20.41%0.01213%0.129CC..EExtended strand (participates in β ladder)trans-148.1158.1177.764.8-84.8000111.9K212 P214 C215 L249 M329 P339 F352K212-Y247 HydrophobicContact CB-CD1 4.01Å; K212-Y247 HydrophobicContact CB-CE1 3.71Å; K212-Y247 WeakPolarHBondContact O-CE1 3.45Å; P214-Y247 HydrophobicContact CB-CE1 4.1Å; P214-Y247 HydrophobicContact CB-CE2 3.98Å; P214-Y247 WeakPolarHBondContact CB-OH 3.23Å; P214-Y247 HydrophobicContact CG-CE1 4.32Å; P214-Y247 WeakPolarHBondContact CG-OH 3.19Å; C215-Y247 WeakPolarHBondContact CB-O 3.39Å; C215-Y247 PolarHBondContact N-O 3.44Å; Y247-L249 HydrophobicContact CD2-CD2 3.94Å; Y247-L249 HydrophobicContact CD2-CG 4Å; Y247-L249 HydrophobicContact CE2-CD1 3.96Å; Y247-L249 HydrophobicContact CE2-CD2 3.69Å; Y247-L249 HydrophobicContact CE2-CG 3.62Å; Y247-M329 HydrophobicContact CD1-CE 3.8Å; Y247-M329 HydrophobicContact CD2-CE 3.68Å; Y247-M329 HydrophobicContact CE1-CE 4.17Å; Y247-M329 HydrophobicContact CE2-CE 4.03Å; Y247-M329 HydrophobicContact CG-CE 3.55Å; Y247-M329 HydrophobicContact CG-SD 4.33Å; Y247-P339 WeakPolarHBondContact CA-O 3.31Å; Y247-F352 HydrophobicContact CD2-CE1 4.39Å; Y247-F352 HydrophobicContact CE2-CD1 4.05Å; Y247-F352 AromaticContact CE2-CE1 3.52Å; Y247-F352 HydrophobicContact CE2-CE1 3.52Å; Y247-F352 HydrophobicContact CE2-CZ 4.44Å; Y247-F352 AromaticContact CZ-CE1 3.82Å
248I98.9Very high98.6Very high0 Ų020 Ų200%013%0.126CC..EExtended strand (participates in β ladder)trans-100.9138.7173-68.3167000110.2C215 I217 V230 C250 V258 I262 L338 P339 I340 V341C215-I248 HydrophobicContact CB-CG1 4.38Å; C215-I248 CarbonylContact O-C 3.52Å; C215-I248 VanDerWaalsContact O-CA 3.28Å; C215-I248 WeakPolarHBondContact O-CA 3.19Å; I217-I248 HydrophobicContact CD1-CD1 4.14Å; I217-I248 HydrophobicContact CD1-CG1 4.36Å; I217-I248 HydrophobicContact CD1-CG2 3.95Å; I217-I248 HydrophobicContact CG1-CG2 4.2Å; V230-I248 HydrophobicContact CG1-CD1 4.04Å; V230-I248 HydrophobicContact CG1-CG1 4.34Å; I248-C250 HydrophobicContact CG2-CB 4.15Å; I248-V258 HydrophobicContact CD1-CG1 3.88Å; I248-I262 HydrophobicContact CD1-CD1 3.88Å; I248-L338 HydrophobicContact CD1-CD1 4.24Å; I248-L338 HydrophobicContact CD1-CD2 3.9Å; I248-L338 HydrophobicContact CD1-CG 4.16Å; I248-L338 HydrophobicContact CG1-CD1 4.12Å; I248-P339 PolarHBondContact N-O 2.88Å; I248-I340 HydrophobicContact CB-CG1 4.25Å; I248-I340 HydrophobicContact CB-CG2 4.28Å; I248-I340 HydrophobicContact CD1-CG1 4.31Å; I248-I340 HydrophobicContact CG2-CG2 4.08Å; I248-V341 PolarHBondContact O-N 2.94Å
249L98.9Very high98.6Very high0 Ų020.2 Ų20.20%013%0.128CC..EExtended strand (participates in β ladder)trans-109.7125.8162.2-62.2178.8000108.8C215 Y216 I217 Y247 V341 V343 A349 F352 I353C215-L249 PolarHBondContact O-N 3.15Å; Y216-L249 CarbonylContact C-O 3.6Å; Y216-L249 WeakPolarHBondContact CA-O 3.42Å; Y216-L249 HydrophobicContact CD2-CB 4.06Å; I217-L249 PolarHBondContact N-O 3.07Å; Y247-L249 HydrophobicContact CD2-CD2 3.94Å; Y247-L249 HydrophobicContact CD2-CG 4Å; Y247-L249 HydrophobicContact CE2-CD1 3.96Å; Y247-L249 HydrophobicContact CE2-CD2 3.69Å; Y247-L249 HydrophobicContact CE2-CG 3.62Å; L249-V341 WeakPolarHBondContact CA-O 3.35Å; L249-V341 HydrophobicContact CD2-CB 3.91Å; L249-V341 HydrophobicContact CD2-CG1 4.27Å; L249-V343 HydrophobicContact CB-CG2 4.27Å; L249-V343 HydrophobicContact CD2-CG1 3.95Å; L249-A349 HydrophobicContact CD1-CB 4.05Å; L249-F352 HydrophobicContact CD1-CB 4.43Å; L249-F352 HydrophobicContact CD1-CD1 3.96Å; L249-F352 HydrophobicContact CD1-CG 4.38Å; L249-F352 HydrophobicContact CD2-CD1 3.94Å; L249-F352 HydrophobicContact CD2-CE1 4.02Å; L249-F352 HydrophobicContact CD2-CG 4.23Å; L249-F352 HydrophobicContact CD2-CZ 4.34Å; L249-I353 HydrophobicContact CD1-CD1 4.07Å; L249-I353 HydrophobicContact CD1-CG1 3.91Å
250C98.7Very high98.7Very high0 Ų024.2 Ų24.20%015%0.146CC..EExtended strand (participates in β ladder)trans-151.9162.3175.772.10000111.6I217 I248 I254 V341 T342 V343I217-C250 HydrophobicContact CB-CB 4.4Å; I248-C250 HydrophobicContact CG2-CB 4.15Å; C250-I254 HydrophobicContact CB-CD1 3.74Å; C250-I254 HydrophobicContact CB-CG1 3.95Å; C250-V341 PolarHBondContact N-O 2.9Å; C250-T342 VanDerWaalsContact O-CA 3.23Å; C250-T342 WeakPolarHBondContact O-CA 3.27Å; C250-V343 PolarHBondContact O-N 2.57Å
251E98.5Very high98.7Very high25 Ų2525.9 Ų25.912%0.11715%0.154CC..  trans-67.9148.7172.2-71.7-175.7-12700111.4K219 C253 I254 Q255 V343K219-E251 WeakPolarHBondContact CD-OE1 3.3Å; K219-E251 VanDerWaalsContact CE-OE1 3.27Å; K219-E251 WeakPolarHBondContact CE-OE1 3.37Å; K219-E251 IonicContact NZ-OE1 3.92Å; K219-E251 PolarHBondContact NZ-OE1 3.18Å; K219-E251 IonicContact NZ-OE2 2.96Å; K219-E251 PolarHBondContact NZ-OE2 2.78Å; E251-C253 PolarHBondContact O-N 3.12Å; E251-C253 VanDerWaalsContact O-N 3.1Å; E251-I254 WeakPolarHBondContact O-CG1 3.25Å; E251-I254 PolarHBondContact O-N 3.15Å; E251-Q255 PolarHBondContact O-N 2.79Å; E251-V343 WeakPolarHBondContact CA-O 3.34Å
252P98.3Very high98.7Very high85 Ų8525.4 Ų25.455%0.55215%0.151SC*.Hα-helixtrans-53.6-32.3178-26.531.8000114.3I254 Q255 T342 V343P252-I254 VanDerWaalsContact C-N 3.27Å; P252-I254 PolarHBondContact O-N 3.18Å; P252-Q255 PolarHBondContact O-N 3.09Å; P252-T342 HydrophobicContact CB-CG2 4.36Å; P252-T342 HydrophobicContact CG-CG2 4.24Å; P252-V343 WeakPolarHBondContact CD-O 3.39Å
253C98.3Very high98.7Very high86 Ų8629 Ų2958%0.58116%0.162SC*.Hα-helixtrans-66.1-25.1-176.5610000113.9E251E251-C253 PolarHBondContact O-N 3.12Å; E251-C253 VanDerWaalsContact O-N 3.1Å
254I98.5Very high98.7Very high9 Ų932.8 Ų32.85%0.04618%0.179CC..Hα-helixtrans-106.9-7.8-179.259.2160000113.8I217 K219 C250 E251 P252 G256 Q257 V258I217-I254 HydrophobicContact CG2-CD1 4.08Å; I217-I254 WeakPolarHBondContact O-CD1 3.32Å; K219-I254 HydrophobicContact CB-CD1 4.4Å; K219-I254 HydrophobicContact CB-CG2 3.73Å; C250-I254 HydrophobicContact CB-CD1 3.74Å; C250-I254 HydrophobicContact CB-CG1 3.95Å; E251-I254 WeakPolarHBondContact O-CG1 3.25Å; E251-I254 PolarHBondContact O-N 3.15Å; P252-I254 VanDerWaalsContact C-N 3.27Å; P252-I254 PolarHBondContact O-N 3.18Å; I254-G256 VanDerWaalsContact C-N 3.27Å; I254-G256 PolarHBondContact O-N 2.94Å; I254-Q257 WeakPolarHBondContact O-CB 3.45Å; I254-Q257 PolarHBondContact O-N 3.18Å; I254-V258 HydrophobicContact CD1-CG2 4.49Å; I254-V258 WeakPolarHBondContact O-CG2 3.35Å; I254-V258 PolarHBondContact O-N 3.01Å
255Q98.6Very high98.7Very high13 Ų1333 Ų336%0.06118%0.18CC..Hα-helixtrans-55.2-41.5-176.6-165.5-155.759.600112.6E251 P252 V258 V259 D321 I340 T342E251-Q255 PolarHBondContact O-N 2.79Å; P252-Q255 PolarHBondContact O-N 3.09Å; Q255-V258 PolarHBondContact O-N 3.11Å; Q255-V259 WeakPolarHBondContact O-CG2 3.33Å; Q255-V259 PolarHBondContact O-N 3.32Å; Q255-D321 PolarHBondContact NE2-OD1 3.39Å; Q255-D321 PolarHBondContact OE1-OD1 2.92Å; Q255-D321 VanDerWaalsContact OE1-OD1 3.11Å; Q255-I340 HydrophobicContact CG-CG2 3.8Å; Q255-T342 HydrophobicContact CB-CG2 4.24Å; Q255-T342 HydrophobicContact CG-CG2 4.16Å
256G98.6Very high98.7Very high48 Ų4833.4 Ų33.450%0.49518%0.182SC..Hα-helixtrans-63-40.8176.700000113.1I254 V259 E260I254-G256 VanDerWaalsContact C-N 3.27Å; I254-G256 PolarHBondContact O-N 2.94Å; G256-V259 PolarHBondContact O-N 3.17Å; G256-E260 PolarHBondContact O-N 3.07Å; G256-E260 VanDerWaalsContact O-N 3.17Å
257Q98.5Very high98.7Very high98 Ų9838.1 Ų38.146%0.45821%0.207SC..Hα-helixtrans-66.5-40.4176.3-65.8177.5-28.100111.4I254 V259 E260 F261I254-Q257 WeakPolarHBondContact O-CB 3.45Å; I254-Q257 PolarHBondContact O-N 3.18Å; Q257-V259 PolarHBondContact O-N 3.33Å; Q257-E260 PolarHBondContact O-N 3.04Å; Q257-F261 HydrophobicContact CB-CD2 4.41Å; Q257-F261 HydrophobicContact CB-CE2 4.07Å; Q257-F261 VanDerWaalsContact O-CD2 3.31Å; Q257-F261 WeakPolarHBondContact O-CD2 3.42Å; Q257-F261 WeakPolarHBondContact O-CG 3.39Å; Q257-F261 PolarHBondContact O-N 3.34Å
258V98.8Very high98.7Very high0 Ų043.8 Ų43.80%023%0.233CC..Hα-helixtrans-58.8-48.6176.7170.90000110.9I217 V223 I248 I254 Q255 E260 I262 I340I217-V258 HydrophobicContact CD1-CG1 4.49Å; I217-V258 HydrophobicContact CD1-CG2 4.36Å; V223-V258 HydrophobicContact CG1-CG2 3.8Å; I248-V258 HydrophobicContact CD1-CG1 3.88Å; I254-V258 HydrophobicContact CD1-CG2 4.49Å; I254-V258 WeakPolarHBondContact O-CG2 3.35Å; I254-V258 PolarHBondContact O-N 3.01Å; Q255-V258 PolarHBondContact O-N 3.11Å; V258-E260 PolarHBondContact O-N 3.46Å; V258-I262 HydrophobicContact CG1-CD1 3.67Å; V258-I262 WeakPolarHBondContact O-CB 3.21Å; V258-I262 WeakPolarHBondContact O-CD1 3.32Å; V258-I262 WeakPolarHBondContact O-CG1 3.4Å; V258-I262 PolarHBondContact O-N 3.06Å; V258-I340 HydrophobicContact CG1-CD1 3.84Å
259V98.9Very high98.7Very high7 Ų746.2 Ų46.24%0.04224%0.244CC..Hα-helixtrans-58.7-46.7177.9171.90000111.4Q255 G256 Q257 I262 R263 V302 V303 V318 K320 I340Q255-V259 WeakPolarHBondContact O-CG2 3.33Å; Q255-V259 PolarHBondContact O-N 3.32Å; G256-V259 PolarHBondContact O-N 3.17Å; Q257-V259 PolarHBondContact O-N 3.33Å; V259-I262 PolarHBondContact O-N 3.09Å; V259-R263 WeakPolarHBondContact O-CB 3.15Å; V259-R263 PolarHBondContact O-N 3.5Å; V259-V302 HydrophobicContact CG1-CB 4.33Å; V259-V302 HydrophobicContact CG1-CG2 3.84Å; V259-V302 HydrophobicContact CG2-CG2 4.14Å; V259-V303 HydrophobicContact CG1-CG2 4.05Å; V259-V318 HydrophobicContact CG2-CG1 4.32Å; V259-K320 HydrophobicContact CG2-CB 4.29Å; V259-I340 HydrophobicContact CG2-CD1 3.64Å
260E98.8Very high98.6Very high86 Ų8647.2 Ų47.240%0.40225%0.248SC..Hα-helixtrans-70.6-40.6-176.8-68.5-53.4117.800112.9G256 Q257 V258 I262 R263 E264G256-E260 PolarHBondContact O-N 3.07Å; G256-E260 VanDerWaalsContact O-N 3.17Å; Q257-E260 PolarHBondContact O-N 3.04Å; V258-E260 PolarHBondContact O-N 3.46Å; E260-I262 VanDerWaalsContact C-N 3.35Å; E260-I262 PolarHBondContact O-N 3.49Å; E260-R263 WeakPolarHBondContact O-CB 3.47Å; E260-R263 PolarHBondContact O-N 3.34Å; E260-R263 IonicContact OE1-CZ 3.8Å; E260-R263 IonicContact OE1-NE 3.3Å; E260-R263 PolarHBondContact OE1-NE 2.93Å; E260-R263 VanDerWaalsContact OE1-NE 3.12Å; E260-R263 IonicContact OE1-NH2 3.43Å; E260-R263 PolarHBondContact OE1-NH2 3.49Å; E260-R263 VanDerWaalsContact OE1-NH2 3.08Å; E260-R263 IonicContact OE2-NE 3.09Å; E260-R263 PolarHBondContact OE2-NE 3.36Å; E260-E264 WeakPolarHBondContact O-CG 3.29Å; E260-E264 PolarHBondContact O-N 3.27Å
261F98.9Very high98.6Very high35 Ų3548.9 Ų48.915%0.15427%0.265CS..Hα-helixtrans-68.6-32.5175.9-64.1-31.5000113.1V223 R224 C227 Q257 T265V223-F261 HydrophobicContact CB-CD2 4.41Å; V223-F261 HydrophobicContact CB-CE2 4.28Å; V223-F261 HydrophobicContact CG1-CD2 4.07Å; V223-F261 HydrophobicContact CG1-CE2 4.29Å; R224-F261 HydrophobicContact CB-CD1 4.45Å; R224-F261 HydrophobicContact CB-CD2 3.91Å; R224-F261 HydrophobicContact CB-CE1 4.49Å; R224-F261 HydrophobicContact CB-CE2 3.91Å; R224-F261 HydrophobicContact CB-CG 4.19Å; R224-F261 HydrophobicContact CB-CZ 4.22Å; R224-F261 HydrophobicContact CG-CD1 4.39Å; R224-F261 HydrophobicContact CG-CG 4.39Å; R224-F261 VanDerWaalsContact CZ-CE1 3.49Å; C227-F261 HydrophobicContact CB-CB 3.6Å; Q257-F261 HydrophobicContact CB-CD2 4.41Å; Q257-F261 HydrophobicContact CB-CE2 4.07Å; Q257-F261 VanDerWaalsContact O-CD2 3.31Å; Q257-F261 WeakPolarHBondContact O-CD2 3.42Å; Q257-F261 WeakPolarHBondContact O-CG 3.39Å; Q257-F261 PolarHBondContact O-N 3.34Å; F261-T265 WeakPolarHBondContact O-CB 3.32Å; F261-T265 PolarHBondContact O-N 2.99Å; F261-T265 PolarHBondContact O-OG1 2.83Å
262I98.9Very high98.5Very high0 Ų052.4 Ų52.40%030%0.298CS..Hα-helixtrans-65.9-43.3170.5-67.3167.2000110.1C227 F235 I248 V258 V259 E260 E264 T265 L266 V318 L338C227-I262 HydrophobicContact CB-CG1 3.93Å; F235-I262 HydrophobicContact CE2-CG2 4.35Å; I248-I262 HydrophobicContact CD1-CD1 3.88Å; V258-I262 HydrophobicContact CG1-CD1 3.67Å; V258-I262 WeakPolarHBondContact O-CB 3.21Å; V258-I262 WeakPolarHBondContact O-CD1 3.32Å; V258-I262 WeakPolarHBondContact O-CG1 3.4Å; V258-I262 PolarHBondContact O-N 3.06Å; V259-I262 PolarHBondContact O-N 3.09Å; E260-I262 VanDerWaalsContact C-N 3.35Å; E260-I262 PolarHBondContact O-N 3.49Å; I262-E264 PolarHBondContact O-N 2.84Å; I262-T265 PolarHBondContact O-N 2.77Å; I262-L266 HydrophobicContact CG2-CD1 3.84Å; I262-L266 HydrophobicContact CG2-CG 4.22Å; I262-L266 WeakPolarHBondContact O-CB 3.38Å; I262-L266 VanDerWaalsContact O-CG 3.28Å; I262-L266 WeakPolarHBondContact O-CG 3.24Å; I262-L266 PolarHBondContact O-N 3.48Å; I262-V318 HydrophobicContact CG2-CG2 3.63Å; I262-L338 HydrophobicContact CD1-CD2 3.83Å
263R98.8Very high98.4Very high92 Ų9252 Ų5235%0.34729%0.292SS..Hα-helixtrans-57.9-48.8175.9-174.7-165.1-55.4-68.6-5.2111.9V259 E260 T265 L266 L267 V302 V303V259-R263 WeakPolarHBondContact O-CB 3.15Å; V259-R263 PolarHBondContact O-N 3.5Å; E260-R263 WeakPolarHBondContact O-CB 3.47Å; E260-R263 PolarHBondContact O-N 3.34Å; E260-R263 IonicContact OE1-CZ 3.8Å; E260-R263 IonicContact OE1-NE 3.3Å; E260-R263 PolarHBondContact OE1-NE 2.93Å; E260-R263 VanDerWaalsContact OE1-NE 3.12Å; E260-R263 IonicContact OE1-NH2 3.43Å; E260-R263 PolarHBondContact OE1-NH2 3.49Å; E260-R263 VanDerWaalsContact OE1-NH2 3.08Å; E260-R263 IonicContact OE2-NE 3.09Å; E260-R263 PolarHBondContact OE2-NE 3.36Å; R263-T265 VanDerWaalsContact C-N 3.34Å; R263-T265 PolarHBondContact O-N 3.5Å; R263-L266 PolarHBondContact O-N 3.34Å; R263-L267 PolarHBondContact O-N 2.92Å; R263-L267 VanDerWaalsContact O-N 3.1Å; R263-V302 PolarHBondContact NH1-O 2.96Å; R263-V302 PolarHBondContact NH2-O 2.93Å; R263-V303 HydrophobicContact CB-CG2 4.19Å
264E98.8Very high98.4Very high90 Ų9049 Ų4942%0.42127%0.271SS..Hα-helixtrans-59.2-45.9177-72.8177.2-178.200111.3R224 E260 I262 L266 L267 E268R224-E264 IonicContact CZ-OE2 2.92Å; R224-E264 IonicContact NH1-OE2 2.94Å; R224-E264 PolarHBondContact NH1-OE2 2.91Å; R224-E264 IonicContact NH2-OE2 3.83Å; E260-E264 WeakPolarHBondContact O-CG 3.29Å; E260-E264 PolarHBondContact O-N 3.27Å; I262-E264 PolarHBondContact O-N 2.84Å; E264-L266 PolarHBondContact O-N 3.47Å; E264-L267 PolarHBondContact O-N 3.38Å; E264-E268 PolarHBondContact O-N 3.4Å
265T98.9Very high98.3Very high10 Ų1051.5 Ų51.56%0.06128%0.281CS..Hα-helixtrans-65.2-40.5-179.9-55.50000111.7R228 T231 F261 I262 R263 L267 E268 F269R228-T265 HydrophobicContact CB-CG2 4.36Å; R228-T265 HydrophobicContact CG-CG2 3.96Å; T231-T265 HydrophobicContact CG2-CG2 3.7Å; F261-T265 WeakPolarHBondContact O-CB 3.32Å; F261-T265 PolarHBondContact O-N 2.99Å; F261-T265 PolarHBondContact O-OG1 2.83Å; I262-T265 PolarHBondContact O-N 2.77Å; R263-T265 VanDerWaalsContact C-N 3.34Å; R263-T265 PolarHBondContact O-N 3.5Å; T265-L267 VanDerWaalsContact C-N 3.34Å; T265-L267 PolarHBondContact O-N 2.79Å; T265-E268 WeakPolarHBondContact O-CB 3.29Å; T265-E268 PolarHBondContact O-N 3.15Å; T265-F269 HydrophobicContact CG2-CD1 4.09Å; T265-F269 HydrophobicContact CG2-CD2 3.76Å; T265-F269 HydrophobicContact CG2-CE1 3.72Å; T265-F269 HydrophobicContact CG2-CE2 3.34Å; T265-F269 HydrophobicContact CG2-CG 4.12Å; T265-F269 HydrophobicContact CG2-CZ 3.33Å; T265-F269 WeakPolarHBondContact O-CB 3.26Å; T265-F269 WeakPolarHBondContact O-CG 3.49Å; T265-F269 PolarHBondContact O-N 3.37Å
266L98.8Very high98.2Very high9 Ų955.8 Ų55.85%0.04731%0.311CS..Hα-helixtrans-63-40.4177.2-76171.8000112.3T231 F235 I262 R263 E264 E268 F269 Y270 V303 P316T231-L266 HydrophobicContact CG2-CD2 3.62Å; T231-L266 HydrophobicContact CG2-CG 3.81Å; F235-L266 HydrophobicContact CD2-CD2 3.59Å; F235-L266 HydrophobicContact CE2-CD1 4.23Å; F235-L266 HydrophobicContact CE2-CD2 3.83Å; F235-L266 HydrophobicContact CE2-CG 4.36Å; F235-L266 HydrophobicContact CG-CD2 4.09Å; F235-L266 HydrophobicContact CZ-CD1 4.48Å; F235-L266 HydrophobicContact CZ-CD2 4.5Å; I262-L266 HydrophobicContact CG2-CD1 3.84Å; I262-L266 HydrophobicContact CG2-CG 4.22Å; I262-L266 WeakPolarHBondContact O-CB 3.38Å; I262-L266 VanDerWaalsContact O-CG 3.28Å; I262-L266 WeakPolarHBondContact O-CG 3.24Å; I262-L266 PolarHBondContact O-N 3.48Å; R263-L266 PolarHBondContact O-N 3.34Å; E264-L266 PolarHBondContact O-N 3.47Å; L266-E268 VanDerWaalsContact C-N 3.31Å; L266-F269 PolarHBondContact O-N 3.46Å; L266-Y270 HydrophobicContact CD2-CD2 3.83Å; L266-Y270 HydrophobicContact CD2-CE2 3.85Å; L266-Y270 PolarHBondContact O-N 2.85Å; L266-V303 HydrophobicContact CD1-CG1 3.85Å; L266-P316 HydrophobicContact CD1-CB 3.81Å; L266-P316 HydrophobicContact CD2-CB 3.46Å; L266-P316 VanDerWaalsContact CD2-CB 3.46Å; L266-P316 HydrophobicContact CD2-CG 3.91Å; L266-P316 HydrophobicContact CG-CB 4.26Å
267L98.6Very high98.2Very high105 Ų10554.1 Ų54.155%0.5529%0.292SS..Hα-helixtrans-62.9-39.8174.617963000111.3R263 E264 T265 G271 A272R263-L267 PolarHBondContact O-N 2.92Å; R263-L267 VanDerWaalsContact O-N 3.1Å; E264-L267 PolarHBondContact O-N 3.38Å; T265-L267 VanDerWaalsContact C-N 3.34Å; T265-L267 PolarHBondContact O-N 2.79Å; L267-G271 WeakPolarHBondContact O-CA 3.4Å; L267-G271 PolarHBondContact O-N 2.89Å; L267-A272 HydrophobicContact CD1-CB 4.2Å
268E98.6Very high98Very high121 Ų12153.4 Ų53.457%0.56530%0.296SS*.Hα-helixtrans-65.6-46.1175.1-173-167.3139.900112.3R228 E264 T265 L266R228-E268 IonicContact CZ-OE1 3.79Å; R228-E268 IonicContact CZ-OE2 3.7Å; R228-E268 IonicContact NH1-OE1 3.03Å; R228-E268 PolarHBondContact NH1-OE1 2.9Å; R228-E268 IonicContact NH1-OE2 3.33Å; R228-E268 PolarHBondContact NH1-OE2 2.99Å; R228-E268 IonicContact NH2-OE1 3.27Å; R228-E268 PolarHBondContact NH2-OE1 2.79Å; R228-E268 IonicContact NH2-OE2 2.65Å; E264-E268 PolarHBondContact O-N 3.4Å; T265-E268 WeakPolarHBondContact O-CB 3.29Å; T265-E268 PolarHBondContact O-N 3.15Å; L266-E268 VanDerWaalsContact C-N 3.31Å
269F98.3Very high97.9Very high51 Ų5156.6 Ų56.622%0.22431%0.313CS..Hα-helixtrans-73.9-40.6-173.9-71.2-3000113.2R228 T231 W232 T265 L266R228-F269 HydrophobicContact CG-CZ 4.04Å; T231-F269 HydrophobicContact CG2-CD2 4.03Å; T231-F269 HydrophobicContact CG2-CE2 4.09Å; W232-F269 HydrophobicContact CB-CE2 3.88Å; W232-F269 HydrophobicContact CB-CZ 4.38Å; T265-F269 HydrophobicContact CG2-CD1 4.09Å; T265-F269 HydrophobicContact CG2-CD2 3.76Å; T265-F269 HydrophobicContact CG2-CE1 3.72Å; T265-F269 HydrophobicContact CG2-CE2 3.34Å; T265-F269 HydrophobicContact CG2-CG 4.12Å; T265-F269 HydrophobicContact CG2-CZ 3.33Å; T265-F269 WeakPolarHBondContact O-CB 3.26Å; T265-F269 WeakPolarHBondContact O-CG 3.49Å; T265-F269 PolarHBondContact O-N 3.37Å; L266-F269 PolarHBondContact O-N 3.46Å
270Y98.3Very high97.8Very high22 Ų2256.4 Ų56.49%0.08631%0.312CS..Hα-helixtrans-123-0.7-168.4-54.3-57.9000113.6F235 L266 D279 Y280 P316F235-Y270 HydrophobicContact CB-CE2 3.92Å; L266-Y270 HydrophobicContact CD2-CD2 3.83Å; L266-Y270 HydrophobicContact CD2-CE2 3.85Å; L266-Y270 PolarHBondContact O-N 2.85Å; Y270-D279 HydrophobicContact CE1-CB 4.42Å; Y270-Y280 HydrophobicContact CD1-CD2 4.31Å; Y270-Y280 HydrophobicContact CD2-CD2 4.43Å; Y270-Y280 AromaticContact CE1-CD2 3.99Å; Y270-Y280 HydrophobicContact CE1-CD2 3.99Å; Y270-Y280 HydrophobicContact CE2-CD2 4.11Å; Y270-Y280 AromaticContact CZ-CD2 3.88Å; Y270-P316 HydrophobicContact CD2-CG 4.19Å; Y270-P316 HydrophobicContact CE2-CG 4.42Å
271G97.9Very high97.7Very high34 Ų3452.6 Ų52.635%0.35130%0.296SS..  trans72.8-171.3-176.100000113L267 D273L267-G271 WeakPolarHBondContact O-CA 3.4Å; L267-G271 PolarHBondContact O-N 2.89Å; G271-D273 VanDerWaalsContact C-N 3.28Å; G271-D273 PolarHBondContact O-N 3.42Å
272A96.6Very high97.7Very high99 Ų9952.4 Ų52.482%0.81829%0.294SS*.SBendtrans-69.9-24.4-17600000113.5L267L267-A272 HydrophobicContact CD1-CB 4.2Å
273D97Very high97.7Very high78 Ų7852.4 Ų52.442%0.41729%0.294SS..  trans-127.793.2174.8-178.914.1000110.7G271 K275 C276G271-D273 VanDerWaalsContact C-N 3.28Å; G271-D273 PolarHBondContact O-N 3.42Å; D273-K275 PolarHBondContact O-N 3Å; D273-K275 WeakPolarHBondContact OD1-CB 3.31Å; D273-K275 PolarHBondContact OD1-N 3.34Å; D273-K275 VanDerWaalsContact OD1-N 3.08Å; D273-C276 PolarHBondContact O-N 3.39Å; D273-C276 PolarHBondContact OD2-SG 3.1Å
274P97.4Very high97.7Very high22 Ų2248.3 Ų48.314%0.14328%0.279CS..G310 helixtrans-57.8-20.3177.9-26.535.3000114.2C276 S277 Y280 P316P274-C276 PolarHBondContact O-N 2.71Å; P274-S277 WeakPolarHBondContact O-CB 3.1Å; P274-S277 PolarHBondContact O-N 3.14Å; P274-Y280 HydrophobicContact CB-CD1 4.47Å; P274-P316 HydrophobicContact CB-CG 4.11Å; P274-P316 HydrophobicContact CG-CG 4.26Å
275K97.5Very high97.6Very high62 Ų6245.4 Ų45.427%0.2727%0.266SS..G310 helixtrans-62.2-35.2175.7-166.4178.7-179.7-178.40111.8D273 R282 D308 Y313D273-K275 PolarHBondContact O-N 3Å; D273-K275 WeakPolarHBondContact OD1-CB 3.31Å; D273-K275 PolarHBondContact OD1-N 3.34Å; D273-K275 VanDerWaalsContact OD1-N 3.08Å; K275-R282 PolarHBondContact O-NH2 3.37Å; K275-D308 WeakPolarHBondContact CE-OD2 3.33Å; K275-D308 IonicContact NZ-OD2 2.94Å; K275-D308 PolarHBondContact NZ-OD2 3.16Å; K275-Y313 VanDerWaalsContact CA-CE2 3.48Å; K275-Y313 HydrophobicContact CB-CD1 4.32Å; K275-Y313 HydrophobicContact CB-CD2 4.31Å; K275-Y313 HydrophobicContact CB-CE1 3.85Å; K275-Y313 HydrophobicContact CB-CE2 3.82Å; K275-Y313 HydrophobicContact CD-CD1 4.02Å; K275-Y313 HydrophobicContact CD-CE1 4.1Å; K275-Y313 HydrophobicContact CD-CG 4.49Å; K275-Y313 HydrophobicContact CG-CD1 3.91Å; K275-Y313 HydrophobicContact CG-CD2 4.1Å; K275-Y313 HydrophobicContact CG-CE1 3.94Å; K275-Y313 HydrophobicContact CG-CE2 4.13Å; K275-Y313 HydrophobicContact CG-CG 3.98Å; K275-Y313 PolarHBondContact N-OH 3.44Å
276C96.5Very high97.6Very high102 Ų10248.4 Ų48.469%0.68928%0.28SS*.G310 helixtrans-89-6.6-179.9-65.50000113.4D273 P274D273-C276 PolarHBondContact O-N 3.39Å; D273-C276 PolarHBondContact OD2-SG 3.1Å; P274-C276 PolarHBondContact O-N 2.71Å
277S97.2Very high97.6Very high14 Ų1455 Ų5510%0.09831%0.31CS..  trans-68.5132.2179.9177.90000111.3P274 D279P274-S277 WeakPolarHBondContact O-CB 3.1Å; P274-S277 PolarHBondContact O-N 3.14Å; S277-D279 PolarHBondContact O-N 2.94Å; S277-D279 PolarHBondContact OG-N 3.21Å
278P94.9Very high97.6Very high83 Ų8351.7 Ų51.754%0.53929%0.292SS..THydrogen-bonded Turntrans-69.9-19.2174.829.8-34.7000113.2
279D95.8Very high97.6Very high66 Ų6646.5 Ų46.535%0.35327%0.267SS..THydrogen-bonded Turntrans-98.43.1-174.4-53.8-49.4000112.8S53 Y270 S277S53-D279 PolarHBondContact OG-OD1 3.43Å; Y270-D279 HydrophobicContact CE1-CB 4.42Å; S277-D279 PolarHBondContact O-N 2.94Å; S277-D279 PolarHBondContact OG-N 3.21Å
280Y97.8Very high97.6Very high3 Ų348.1 Ų48.11%0.01228%0.278CS..  trans-107.6121.2175.4-164.8-112.1000111.4F235 C238 Y270 P274 R282 Y313 I314 P316 P336F235-Y280 HydrophobicContact CB-CE2 4.41Å; C238-Y280 VanDerWaalsContact SG-CZ 3.6Å; Y270-Y280 HydrophobicContact CD1-CD2 4.31Å; Y270-Y280 HydrophobicContact CD2-CD2 4.43Å; Y270-Y280 AromaticContact CE1-CD2 3.99Å; Y270-Y280 HydrophobicContact CE1-CD2 3.99Å; Y270-Y280 HydrophobicContact CE2-CD2 4.11Å; Y270-Y280 AromaticContact CZ-CD2 3.88Å; P274-Y280 HydrophobicContact CB-CD1 4.47Å; Y280-R282 PolarHBondContact O-NH1 3.04Å; Y280-Y313 HydrophobicContact CD1-CD2 4.18Å; Y280-Y313 AromaticContact CD1-CE2 3.78Å; Y280-Y313 HydrophobicContact CD1-CE2 3.78Å; Y280-Y313 AromaticContact CE1-CD2 3.99Å; Y280-Y313 HydrophobicContact CE1-CD2 3.99Å; Y280-Y313 AromaticContact CE1-CE2 3.6Å; Y280-Y313 HydrophobicContact CE1-CE2 3.6Å; Y280-I314 VanDerWaalsContact CE1-O 3.26Å; Y280-I314 WeakPolarHBondContact CE1-O 3.42Å; Y280-I314 PolarHBondContact OH-O 3.41Å; Y280-P316 HydrophobicContact CD2-CG 4.29Å; Y280-P316 HydrophobicContact CE1-CG 4.41Å; Y280-P316 HydrophobicContact CE2-CG 3.66Å; Y280-P336 WeakPolarHBondContact OH-CB 3.06Å; Y280-P336 WeakPolarHBondContact OH-CG 3.45Å
281G96.7Very high97.6Very high6 Ų650 Ų506%0.06229%0.285CS..  trans-73.1-165.5-175.700000114.4I50 C238I50-G281 WeakPolarHBondContact O-CA 3.49Å; C238-G281 WeakPolarHBondContact SG-CA 3.32Å; C238-G281 PolarHBondContact SG-N 3.46Å; C238-G281 PolarHBondContact SG-O 3.31Å
282R98.3Very high97.6Very high31 Ų3148.4 Ų48.412%0.11727%0.269CS..  trans-131.2158.9171.6-63.5-60.4-178.2-92.32.1110.8I50 S51 Q240 K275 Y280 Q311I50-R282 PolarHBondContact O-N 2.79Å; S51-R282 WeakPolarHBondContact OG-CG 3.31Å; Q240-R282 PolarHBondContact NE2-O 3.22Å; K275-R282 PolarHBondContact O-NH2 3.37Å; Y280-R282 PolarHBondContact O-NH1 3.04Å; R282-Q311 WeakPolarHBondContact CD-O 3.47Å; R282-Q311 WeakPolarHBondContact CG-O 3.35Å
283I98.8Very high97.7Very high1 Ų145.7 Ų45.71%0.00524%0.24CC..  trans-66.8137.6171.5-54.2-54.8000108.6C238 N285 H288 F289 I292 W312 I314C238-I283 HydrophobicContact CB-CD1 4.27Å; I283-N285 PolarHBondContact O-N 2.79Å; I283-N285 VanDerWaalsContact O-N 3.11Å; I283-H288 HydrophobicContact CG2-CB 3.55Å; I283-F289 HydrophobicContact CB-CB 4.4Å; I283-F289 HydrophobicContact CG2-CB 4.21Å; I283-I292 HydrophobicContact CD1-CD1 3.63Å; I283-I292 HydrophobicContact CG1-CD1 4.16Å; I283-I292 HydrophobicContact CG2-CD1 4.08Å; I283-W312 HydrophobicContact CB-CB 4.21Å; I283-W312 WeakPolarHBondContact CB-O 3.32Å; I283-W312 WeakPolarHBondContact CG1-O 3.41Å; I283-W312 PolarHBondContact N-O 2.71Å; I283-W312 WeakPolarHBondContact O-CB 3.5Å; I283-I314 HydrophobicContact CD1-CD1 4.34Å; I283-I314 HydrophobicContact CG1-CD1 3.87Å; I283-I314 HydrophobicContact CG1-CG1 4.07Å
284I98.5Very high97.7Very high6 Ų643 Ų433%0.03123%0.226CC..SBendtrans-53.4-35.8-170.9-175.263.3000114.4I50 W112 L140 H288 W312I50-I284 HydrophobicContact CG2-CB 4.41Å; I50-I284 HydrophobicContact CG2-CD1 3.46Å; I50-I284 VanDerWaalsContact CG2-CD1 3.46Å; W112-I284 HydrophobicContact CD2-CB 4.42Å; W112-I284 HydrophobicContact CD2-CG1 4.16Å; W112-I284 HydrophobicContact CD2-CG2 4.3Å; W112-I284 HydrophobicContact CE3-CB 3.71Å; W112-I284 HydrophobicContact CE3-CD1 4.1Å; W112-I284 HydrophobicContact CE3-CG1 3.73Å; W112-I284 HydrophobicContact CE3-CG2 3.93Å; W112-I284 HydrophobicContact CH2-CB 4.13Å; W112-I284 HydrophobicContact CH2-CG2 3.6Å; W112-I284 HydrophobicContact CZ2-CG2 4.01Å; W112-I284 HydrophobicContact CZ3-CB 3.57Å; W112-I284 HydrophobicContact CZ3-CG1 4.15Å; W112-I284 HydrophobicContact CZ3-CG2 3.6Å; L140-I284 HydrophobicContact CB-CG1 3.99Å; I284-H288 HydrophobicContact CG2-CB 3.9Å; I284-H288 WeakPolarHBondContact CG2-CD2 3.36Å; I284-W312 WeakPolarHBondContact O-CZ3 3.49Å
285N98.1Very high97.6Very high28 Ų2841.9 Ų41.915%0.1522%0.22CC..SBendtrans-161.3177.7-179.46824.4000112.3I283 E287 H288 F289I283-N285 PolarHBondContact O-N 2.79Å; I283-N285 VanDerWaalsContact O-N 3.11Å; N285-E287 PolarHBondContact O-N 3.37Å; N285-E287 PolarHBondContact OD1-N 3.13Å; N285-H288 PolarHBondContact OD1-CD2 3.02Å; N285-H288 PolarHBondContact OD1-N 2.95Å; N285-F289 WeakPolarHBondContact O-CB 3.46Å; N285-F289 PolarHBondContact O-N 2.89Å
286Q98.3Very high97.4Very high74 Ų7440 Ų4035%0.34621%0.212SC..Hα-helixtrans-62.3-36.6178.9-169.464.154.400113.9F289 N290 W312Q286-F289 PolarHBondContact O-N 2.83Å; Q286-N290 PolarHBondContact NE2-OD1 3.49Å; Q286-N290 WeakPolarHBondContact O-CB 3.41Å; Q286-N290 PolarHBondContact O-N 2.99Å; Q286-N290 PolarHBondContact O-ND2 3.23Å; Q286-N290 PolarHBondContact O-OD1 3.26Å; Q286-W312 VanDerWaalsContact OE1-NE1 3.16Å
287E98.1Very high97.2Very high146 Ų14641.4 Ų41.468%0.68221%0.209SC*.Hα-helixtrans-65.8-49.8-178.5-176.2-176.916300111N285 F289 N290 R291N285-E287 PolarHBondContact O-N 3.37Å; N285-E287 PolarHBondContact OD1-N 3.13Å; E287-F289 VanDerWaalsContact C-N 3.33Å; E287-F289 PolarHBondContact O-N 2.79Å; E287-N290 PolarHBondContact O-N 3.46Å; E287-R291 PolarHBondContact O-N 2.79Å
288H98.4Very high96.9Very high37 Ų3744.9 Ų44.917%0.17125%0.246CC..Hα-helixtrans-64.6-37.6175.9-78.2-82.1000111.7W112 I283 I284 N285 R291 I292W112-H288 AromaticContact CZ2-CE1 3.68Å; W112-H288 AromaticContact CZ2-NE2 3.83Å; I283-H288 HydrophobicContact CG2-CB 3.55Å; I284-H288 HydrophobicContact CG2-CB 3.9Å; I284-H288 WeakPolarHBondContact CG2-CD2 3.36Å; N285-H288 PolarHBondContact OD1-CD2 3.02Å; N285-H288 PolarHBondContact OD1-N 2.95Å; H288-R291 PolarHBondContact O-N 2.87Å; H288-I292 WeakPolarHBondContact O-CD1 3.06Å; H288-I292 VanDerWaalsContact O-CG1 3.26Å; H288-I292 WeakPolarHBondContact O-CG1 3.37Å; H288-I292 PolarHBondContact O-N 3.32Å
289F98.7Very high96.7Very high11 Ų1143.7 Ų43.75%0.04823%0.231CC..Hα-helixtrans-58.3-52.2174.1175.5-86.1000110.9I283 N285 Q286 E287 R291 I292 M293 W312 Y313 I314I283-F289 HydrophobicContact CB-CB 4.4Å; I283-F289 HydrophobicContact CG2-CB 4.21Å; N285-F289 WeakPolarHBondContact O-CB 3.46Å; N285-F289 PolarHBondContact O-N 2.89Å; Q286-F289 PolarHBondContact O-N 2.83Å; E287-F289 VanDerWaalsContact C-N 3.33Å; E287-F289 PolarHBondContact O-N 2.79Å; F289-R291 VanDerWaalsContact C-N 3.33Å; F289-R291 PolarHBondContact O-N 2.63Å; F289-I292 PolarHBondContact O-N 2.86Å; F289-M293 HydrophobicContact CD1-CG 4.12Å; F289-M293 HydrophobicContact CE1-CG 3.69Å; F289-M293 HydrophobicContact CE2-CG 4.28Å; F289-M293 HydrophobicContact CZ-CG 3.78Å; F289-M293 HydrophobicContact CZ-SD 4.3Å; F289-M293 WeakPolarHBondContact O-CG 3.22Å; F289-M293 PolarHBondContact O-N 3.23Å; F289-W312 HydrophobicContact CD2-CB 4.4Å; F289-Y313 WeakPolarHBondContact CE2-O 3.16Å; F289-I314 HydrophobicContact CD2-CD1 3.91Å; F289-I314 HydrophobicContact CD2-CG1 3.69Å; F289-I314 HydrophobicContact CE2-CD1 4.16Å; F289-I314 HydrophobicContact CE2-CG1 3.58Å
290N98.6Very high96.7Very high86 Ų8646.4 Ų46.446%0.4625%0.251SS..Hα-helixtrans-61.3-42180-70.2-12000111.6Q286 E287 M293 S294Q286-N290 PolarHBondContact NE2-OD1 3.49Å; Q286-N290 WeakPolarHBondContact O-CB 3.41Å; Q286-N290 PolarHBondContact O-N 2.99Å; Q286-N290 PolarHBondContact O-ND2 3.23Å; Q286-N290 PolarHBondContact O-OD1 3.26Å; E287-N290 PolarHBondContact O-N 3.46Å; N290-M293 PolarHBondContact O-N 2.69Å; N290-S294 WeakPolarHBondContact O-CB 3.45Å; N290-S294 PolarHBondContact O-N 3.26Å
291R98Very high96.6Very high62 Ų6248.1 Ų48.123%0.23426%0.262CS..Hα-helixtrans-58.5-51.4176.9-174-16964.886.12.2111.1E287 H288 F289 M293 S294 L295 E331 E332 I333E287-R291 PolarHBondContact O-N 2.79Å; H288-R291 PolarHBondContact O-N 2.87Å; F289-R291 VanDerWaalsContact C-N 3.33Å; F289-R291 PolarHBondContact O-N 2.63Å; R291-M293 PolarHBondContact O-N 3.02Å; R291-S294 PolarHBondContact O-N 2.85Å; R291-S294 VanDerWaalsContact O-N 3.17Å; R291-S294 PolarHBondContact O-OG 3.49Å; R291-L295 PolarHBondContact O-N 2.92Å; R291-E331 IonicContact CZ-OE1 3.85Å; R291-E331 IonicContact NH1-OE1 3.33Å; R291-E331 PolarHBondContact NH1-OE1 3.44Å; R291-E332 PolarHBondContact NH1-O 3.03Å; R291-I333 PolarHBondContact NH2-O 3.43Å
292I98.4Very high96.7Very high0 Ų049.9 Ų49.90%027%0.271CS..Hα-helixtrans-63.2-43.6-179-64.6161.1000110.7I283 H288 F289 S294 L295 M296 I314 L337I283-I292 HydrophobicContact CD1-CD1 3.63Å; I283-I292 HydrophobicContact CG1-CD1 4.16Å; I283-I292 HydrophobicContact CG2-CD1 4.08Å; H288-I292 WeakPolarHBondContact O-CD1 3.06Å; H288-I292 VanDerWaalsContact O-CG1 3.26Å; H288-I292 WeakPolarHBondContact O-CG1 3.37Å; H288-I292 PolarHBondContact O-N 3.32Å; F289-I292 PolarHBondContact O-N 2.86Å; I292-S294 VanDerWaalsContact C-N 3.27Å; I292-S294 PolarHBondContact O-N 3.44Å; I292-L295 WeakPolarHBondContact O-CB 3.49Å; I292-L295 PolarHBondContact O-N 3.37Å; I292-M296 PolarHBondContact O-N 3.03Å; I292-I314 HydrophobicContact CB-CD1 3.77Å; I292-I314 HydrophobicContact CD1-CD1 4.39Å; I292-I314 HydrophobicContact CG2-CD1 3.53Å; I292-L337 HydrophobicContact CG2-CD1 3.74Å; I292-L337 HydrophobicContact CG2-CD2 4.23Å; I292-L337 HydrophobicContact CG2-CG 3.78Å
293M97.8Very high96.7Very high42 Ų4249 Ų4921%0.20727%0.27CS..Hα-helixtrans-59.6-39.5175.8-70-57.1-62.600111.9F289 N290 R291 L295 M296 E297 S307 I314F289-M293 HydrophobicContact CD1-CG 4.12Å; F289-M293 HydrophobicContact CE1-CG 3.69Å; F289-M293 HydrophobicContact CE2-CG 4.28Å; F289-M293 HydrophobicContact CZ-CG 3.78Å; F289-M293 HydrophobicContact CZ-SD 4.3Å; F289-M293 WeakPolarHBondContact O-CG 3.22Å; F289-M293 PolarHBondContact O-N 3.23Å; N290-M293 PolarHBondContact O-N 2.69Å; R291-M293 PolarHBondContact O-N 3.02Å; M293-L295 PolarHBondContact O-N 3.19Å; M293-M296 HydrophobicContact CE-CE 3.5Å; M293-M296 VanDerWaalsContact CE-CE 3.5Å; M293-M296 PolarHBondContact O-N 3.48Å; M293-M296 HydrophobicContact SD-CE 4Å; M293-E297 PolarHBondContact O-N 2.9Å; M293-S307 VanDerWaalsContact CE-OG 3.29Å; M293-S307 WeakPolarHBondContact CE-OG 3.33Å; M293-I314 HydrophobicContact CG-CD1 4.12Å; M293-I314 HydrophobicContact SD-CD1 3.93Å; M293-I314 HydrophobicContact SD-CG1 4.04Å; M293-I314 HydrophobicContact SD-CG2 4.39Å
294S97.2Very high96.7Very high20 Ų2050.3 Ų50.314%0.1428%0.283CS..Hα-helixtrans-66-21176.683.10000114N290 R291 I292 R327N290-S294 WeakPolarHBondContact O-CB 3.45Å; N290-S294 PolarHBondContact O-N 3.26Å; R291-S294 PolarHBondContact O-N 2.85Å; R291-S294 VanDerWaalsContact O-N 3.17Å; R291-S294 PolarHBondContact O-OG 3.49Å; I292-S294 VanDerWaalsContact C-N 3.27Å; I292-S294 PolarHBondContact O-N 3.44Å; S294-R327 PolarHBondContact O-NH1 3.23Å; S294-R327 PolarHBondContact OG-NH2 3.44Å
295L96.4Very high96.6Very high0 Ų051 Ų510%029%0.292CS..Hα-helixtrans-76.7-25.8172.8-66175.9000112.8R291 I292 M293 Y299 R327 L328 E331 L337R291-L295 PolarHBondContact O-N 2.92Å; I292-L295 WeakPolarHBondContact O-CB 3.49Å; I292-L295 PolarHBondContact O-N 3.37Å; M293-L295 PolarHBondContact O-N 3.19Å; L295-Y299 WeakPolarHBondContact O-CE2 3.27Å; L295-R327 HydrophobicContact CD2-CG 4.18Å; L295-L328 HydrophobicContact CB-CD1 3.95Å; L295-E331 HydrophobicContact CD1-CG 4.07Å; L295-E331 VanDerWaalsContact CD2-CD 3.49Å; L295-E331 HydrophobicContact CD2-CG 3.59Å; L295-E331 HydrophobicContact CG-CG 4.44Å; L295-L337 HydrophobicContact CB-CD1 4.13Å
296M93.3Very high96.6Very high22 Ų2255.2 Ų55.211%0.10831%0.311CS..Hα-helixtrans-85.1-13.7179.1-167.1172.965.600112.6I292 M293 G298 Y299 P301 T317 L337I292-M296 PolarHBondContact O-N 3.03Å; M293-M296 HydrophobicContact CE-CE 3.5Å; M293-M296 VanDerWaalsContact CE-CE 3.5Å; M293-M296 PolarHBondContact O-N 3.48Å; M293-M296 HydrophobicContact SD-CE 4Å; M296-G298 PolarHBondContact O-N 3.31Å; M296-Y299 PolarHBondContact O-N 2.97Å; M296-P301 HydrophobicContact CG-CG 4.43Å; M296-P301 HydrophobicContact SD-CG 3.89Å; M296-T317 HydrophobicContact SD-CG2 3.9Å; M296-L337 HydrophobicContact CB-CD1 4.18Å; M296-L337 HydrophobicContact SD-CD2 4.15Å
297E92.3Very high96.6Very high132 Ų13254.2 Ų54.262%0.61731%0.312SS*.THydrogen-bonded Turntrans-56.6129.4177.1-72.6175-171.300111.9M293 Y299M293-E297 PolarHBondContact O-N 2.9Å; E297-Y299 VanDerWaalsContact C-N 3.34Å; E297-Y299 VanDerWaalsContact O-CD2 3.31Å; E297-Y299 WeakPolarHBondContact O-CD2 3.45Å; E297-Y299 VanDerWaalsContact O-CE2 3.31Å; E297-Y299 WeakPolarHBondContact O-CE2 3.49Å
298G89.7Confident96.6Very high86 Ų8648.9 Ų48.989%0.88729%0.288SS*.THydrogen-bonded Turntrans84.90.7179.400000115.2M296M296-G298 PolarHBondContact O-N 3.31Å
299Y92.6Very high96.5Very high58 Ų5850.1 Ų50.123%0.22730%0.301CS..  trans-114.3150.2173-48.9-93.3000111L295 M296 E297 P301 S326 R327 L328L295-Y299 WeakPolarHBondContact O-CE2 3.27Å; M296-Y299 PolarHBondContact O-N 2.97Å; E297-Y299 VanDerWaalsContact C-N 3.34Å; E297-Y299 VanDerWaalsContact O-CD2 3.31Å; E297-Y299 WeakPolarHBondContact O-CD2 3.45Å; E297-Y299 VanDerWaalsContact O-CE2 3.31Å; E297-Y299 WeakPolarHBondContact O-CE2 3.49Å; Y299-P301 WeakPolarHBondContact O-CD 3.47Å; Y299-S326 WeakPolarHBondContact OH-CB 3.42Å; Y299-S326 PolarHBondContact OH-OG 3.29Å; Y299-R327 PolarHBondContact OH-N 3.17Å; Y299-L328 HydrophobicContact CE2-CB 4.15Å
300T94.1Very high96.4Very high124 Ų12454.1 Ų54.176%0.76133%0.33SS*.  trans-105.2112.5174.6-55.30000109.5
301P97.4Very high96.3Very high39 Ų3954.2 Ų54.225%0.25333%0.328SS..  trans-56.7137.8173.2-29.338.7000113M296 Y299 T317 L319M296-P301 HydrophobicContact CG-CG 4.43Å; M296-P301 HydrophobicContact SD-CG 3.89Å; Y299-P301 WeakPolarHBondContact O-CD 3.47Å; P301-T317 HydrophobicContact CB-CG2 3.91Å; P301-T317 HydrophobicContact CG-CG2 3.92Å; P301-L319 HydrophobicContact CB-CD2 4.43Å; P301-L319 HydrophobicContact CG-CD2 4.13Å
302V98.2Very high96.3Very high42 Ų4255.9 Ų55.926%0.25533%0.334SS..SBendtrans-95.3-17.6169.7-700000112.8V259 R263 V318 K320V259-V302 HydrophobicContact CG1-CB 4.33Å; V259-V302 HydrophobicContact CG1-CG2 3.84Å; V259-V302 HydrophobicContact CG2-CG2 4.14Å; R263-V302 PolarHBondContact NH1-O 2.96Å; R263-V302 PolarHBondContact NH2-O 2.93Å; V302-V318 HydrophobicContact CG2-CB 4.27Å; V302-V318 HydrophobicContact CG2-CG1 4.12Å; V302-V318 VanDerWaalsContact CG2-O 3.29Å; V302-V318 WeakPolarHBondContact CG2-O 3.34Å; V302-V318 PolarHBondContact N-O 3.49Å; V302-K320 HydrophobicContact CG1-CD 3.8Å; V302-K320 HydrophobicContact CG1-CG 3.64Å; V302-K320 HydrophobicContact CG2-CB 4.2Å; V302-K320 HydrophobicContact CG2-CG 4.17Å
303V98.1Very high96.4Very high14 Ų1456.2 Ų56.29%0.08534%0.335CS..BIsolated β-bridgetrans-138.7139.1169-172.10000107V259 R263 L266 T317 V318V259-V303 HydrophobicContact CG1-CG2 4.05Å; R263-V303 HydrophobicContact CB-CG2 4.19Å; L266-V303 HydrophobicContact CD1-CG1 3.85Å; V303-T317 WeakPolarHBondContact O-CA 3.35Å; V303-V318 HydrophobicContact CB-CB 3.86Å; V303-V318 HydrophobicContact CB-CG2 3.92Å; V303-V318 HydrophobicContact CG2-CB 3.94Å; V303-V318 HydrophobicContact CG2-CG2 4.07Å; V303-V318 PolarHBondContact N-O 2.96Å; V303-V318 PolarHBondContact O-N 3.21Å
304G97.8Very high96.4Very high27 Ų2754.3 Ų54.328%0.27833%0.326SS..  trans73.2-136.9176.300000114Q306 P316G304-Q306 VanDerWaalsContact CA-OE1 3.29Å; G304-Q306 PolarHBondContact O-NE2 2.83Å; G304-Q306 PolarHBondContact O-OE1 3.36Å; G304-P316 WeakPolarHBondContact CA-O 3.39Å
305G96.8Very high96.5Very high21 Ų2153.4 Ų53.422%0.21632%0.32CS..  trans92.2-11.1-176.900000115.5T317G305-T317 PolarHBondContact N-OG1 3.02Å
306Q98Very high96.6Very high117 Ų11753.6 Ų53.655%0.54732%0.321SS..  trans-71.6146.3175.4-57.477.412.300110.4G304 A315G304-Q306 VanDerWaalsContact CA-OE1 3.29Å; G304-Q306 PolarHBondContact O-NE2 2.83Å; G304-Q306 PolarHBondContact O-OE1 3.36Å; Q306-A315 HydrophobicContact CB-CB 4.17Å; Q306-A315 VanDerWaalsContact O-CB 3.32Å; Q306-A315 WeakPolarHBondContact O-CB 3.33Å; Q306-A315 PolarHBondContact O-N 3.15Å
307S98.1Very high96.9Very high53 Ų5352.6 Ų52.637%0.37132%0.316SS..EExtended strand (participates in β ladder)trans-145.8159.7174.7610000111.4M293 Y313M293-S307 VanDerWaalsContact CE-OG 3.29Å; M293-S307 WeakPolarHBondContact CE-OG 3.33Å; S307-Y313 CarbonylContact C-O 3.47Å; S307-Y313 WeakPolarHBondContact CA-O 3.35Å; S307-Y313 WeakPolarHBondContact CB-O 3.37Å
308D98.3Very high97.2Very high33 Ų3346.3 Ų46.318%0.17629%0.287CS..EExtended strand (participates in β ladder)trans-142.7106.5171.3179.9-7.4000108.7K275 S310 Q311 W312 Y313K275-D308 WeakPolarHBondContact CE-OD2 3.33Å; K275-D308 IonicContact NZ-OD2 2.94Å; K275-D308 PolarHBondContact NZ-OD2 3.16Å; D308-S310 PolarHBondContact O-N 3.28Å; D308-S310 WeakPolarHBondContact OD1-CB 3.34Å; D308-S310 PolarHBondContact OD1-N 3.05Å; D308-S310 PolarHBondContact OD1-OG 3.4Å; D308-S310 PolarHBondContact OD2-OG 3.39Å; D308-Q311 PolarHBondContact O-N 3.47Å; D308-W312 PolarHBondContact O-N 3.49Å; D308-W312 VanDerWaalsContact O-N 3.11Å; D308-Y313 HydrophobicContact CB-CD1 4.23Å; D308-Y313 PolarHBondContact N-O 3.17Å; D308-Y313 PolarHBondContact O-N 3.03Å
309S97.3Very high97.6Very high63 Ų6342.3 Ų42.344%0.44125%0.245SC..G310 helixtrans-65.4-26.7-178.761.70000112.9Q311 W312S309-Q311 PolarHBondContact O-N 3.15Å; S309-W312 VanDerWaalsContact O-CD1 3.23Å; S309-W312 PolarHBondContact O-N 2.87Å
310S97.3Very high97.8Very high96 Ų9644.1 Ų44.167%0.67125%0.254SS*.G310 helixtrans-70.2-21.1179.873.70000112.9D308D308-S310 PolarHBondContact O-N 3.28Å; D308-S310 WeakPolarHBondContact OD1-CB 3.34Å; D308-S310 PolarHBondContact OD1-N 3.05Å; D308-S310 PolarHBondContact OD1-OG 3.4Å; D308-S310 PolarHBondContact OD2-OG 3.39Å
311Q96.3Very high97.8Very high87 Ų8742.5 Ų42.541%0.40724%0.241SC..G310 helixtrans-114.54.3178.1-60.8-169.6-1200112.8R282 D308 S309 Y313R282-Q311 WeakPolarHBondContact CD-O 3.47Å; R282-Q311 WeakPolarHBondContact CG-O 3.35Å; D308-Q311 PolarHBondContact O-N 3.47Å; S309-Q311 PolarHBondContact O-N 3.15Å; Q311-Y313 PolarHBondContact O-N 3.49Å; Q311-Y313 VanDerWaalsContact O-N 3.17Å
312W98.3Very high97.8Very high98 Ų9840.9 Ų40.937%0.37123%0.23SC..THydrogen-bonded Turntrans48.938.3-169.7-50.9-35.9000112.7I283 I284 Q286 F289 D308 S309I283-W312 HydrophobicContact CB-CB 4.21Å; I283-W312 WeakPolarHBondContact CB-O 3.32Å; I283-W312 WeakPolarHBondContact CG1-O 3.41Å; I283-W312 PolarHBondContact N-O 2.71Å; I283-W312 WeakPolarHBondContact O-CB 3.5Å; I284-W312 WeakPolarHBondContact O-CZ3 3.49Å; Q286-W312 VanDerWaalsContact OE1-NE1 3.16Å; F289-W312 HydrophobicContact CD2-CB 4.4Å; D308-W312 PolarHBondContact O-N 3.49Å; D308-W312 VanDerWaalsContact O-N 3.11Å; S309-W312 VanDerWaalsContact O-CD1 3.23Å; S309-W312 PolarHBondContact O-N 2.87Å
313Y98.7Very high97.6Very high6 Ų642.2 Ų42.22%0.02424%0.24CC..EExtended strand (participates in β ladder)trans-95.1127.8-177.4166.6-102.8000110.8K275 Y280 F289 S307 D308 Q311 A315K275-Y313 VanDerWaalsContact CA-CE2 3.48Å; K275-Y313 HydrophobicContact CB-CD1 4.32Å; K275-Y313 HydrophobicContact CB-CD2 4.31Å; K275-Y313 HydrophobicContact CB-CE1 3.85Å; K275-Y313 HydrophobicContact CB-CE2 3.82Å; K275-Y313 HydrophobicContact CD-CD1 4.02Å; K275-Y313 HydrophobicContact CD-CE1 4.1Å; K275-Y313 HydrophobicContact CD-CG 4.49Å; K275-Y313 HydrophobicContact CG-CD1 3.91Å; K275-Y313 HydrophobicContact CG-CD2 4.1Å; K275-Y313 HydrophobicContact CG-CE1 3.94Å; K275-Y313 HydrophobicContact CG-CE2 4.13Å; K275-Y313 HydrophobicContact CG-CG 3.98Å; K275-Y313 PolarHBondContact N-OH 3.44Å; Y280-Y313 HydrophobicContact CD1-CD2 4.18Å; Y280-Y313 AromaticContact CD1-CE2 3.78Å; Y280-Y313 HydrophobicContact CD1-CE2 3.78Å; Y280-Y313 AromaticContact CE1-CD2 3.99Å; Y280-Y313 HydrophobicContact CE1-CD2 3.99Å; Y280-Y313 AromaticContact CE1-CE2 3.6Å; Y280-Y313 HydrophobicContact CE1-CE2 3.6Å; F289-Y313 WeakPolarHBondContact CE2-O 3.16Å; S307-Y313 CarbonylContact C-O 3.47Å; S307-Y313 WeakPolarHBondContact CA-O 3.35Å; S307-Y313 WeakPolarHBondContact CB-O 3.37Å; D308-Y313 HydrophobicContact CB-CD1 4.23Å; D308-Y313 PolarHBondContact N-O 3.17Å; D308-Y313 PolarHBondContact O-N 3.03Å; Q311-Y313 PolarHBondContact O-N 3.49Å; Q311-Y313 VanDerWaalsContact O-N 3.17Å; Y313-A315 HydrophobicContact CE1-CB 4.19Å; Y313-A315 WeakPolarHBondContact OH-CA 3.22Å; Y313-A315 VanDerWaalsContact OH-CB 3.28Å; Y313-A315 WeakPolarHBondContact OH-CB 3.32Å
314I98.8Very high97.3Very high2 Ų243.8 Ų43.81%0.0125%0.25CS..EExtended strand (participates in β ladder)trans-126.4124.2167.9-55.2178.5000106.8Y280 I283 F289 I292 M293 P336 L337Y280-I314 VanDerWaalsContact CE1-O 3.26Å; Y280-I314 WeakPolarHBondContact CE1-O 3.42Å; Y280-I314 PolarHBondContact OH-O 3.41Å; I283-I314 HydrophobicContact CD1-CD1 4.34Å; I283-I314 HydrophobicContact CG1-CD1 3.87Å; I283-I314 HydrophobicContact CG1-CG1 4.07Å; F289-I314 HydrophobicContact CD2-CD1 3.91Å; F289-I314 HydrophobicContact CD2-CG1 3.69Å; F289-I314 HydrophobicContact CE2-CD1 4.16Å; F289-I314 HydrophobicContact CE2-CG1 3.58Å; I292-I314 HydrophobicContact CB-CD1 3.77Å; I292-I314 HydrophobicContact CD1-CD1 4.39Å; I292-I314 HydrophobicContact CG2-CD1 3.53Å; M293-I314 HydrophobicContact CG-CD1 4.12Å; M293-I314 HydrophobicContact SD-CD1 3.93Å; M293-I314 HydrophobicContact SD-CG1 4.04Å; M293-I314 HydrophobicContact SD-CG2 4.39Å; I314-P336 HydrophobicContact CB-CG 3.74Å; I314-P336 HydrophobicContact CG2-CG 3.78Å; I314-L337 HydrophobicContact CG2-CD2 4.29Å
315A98.7Very high97Very high2 Ų249.5 Ų49.52%0.01727%0.27CS..  trans-62.3151.3179.300000111.4Q306 Y313 T317Q306-A315 HydrophobicContact CB-CB 4.17Å; Q306-A315 VanDerWaalsContact O-CB 3.32Å; Q306-A315 WeakPolarHBondContact O-CB 3.33Å; Q306-A315 PolarHBondContact O-N 3.15Å; Y313-A315 HydrophobicContact CE1-CB 4.19Å; Y313-A315 WeakPolarHBondContact OH-CA 3.22Å; Y313-A315 VanDerWaalsContact OH-CB 3.28Å; Y313-A315 WeakPolarHBondContact OH-CB 3.32Å; A315-T317 PolarHBondContact O-N 3.5Å; A315-T317 PolarHBondContact O-OG1 3.45Å
316P98.8Very high96.8Very high4 Ų449.1 Ų49.13%0.02626%0.263CS..  trans-52.1114.9167.1-25.434.9000110.5F235 L266 Y270 P274 Y280 G304F235-P316 HydrophobicContact CD1-CB 3.61Å; F235-P316 HydrophobicContact CD1-CG 4.24Å; F235-P316 HydrophobicContact CD2-CB 4.46Å; F235-P316 VanDerWaalsContact CE1-CA 3.45Å; F235-P316 HydrophobicContact CE1-CB 3.55Å; F235-P316 HydrophobicContact CE2-CB 4.41Å; F235-P316 HydrophobicContact CG-CB 4.09Å; F235-P316 HydrophobicContact CZ-CB 3.97Å; L266-P316 HydrophobicContact CD1-CB 3.81Å; L266-P316 HydrophobicContact CD2-CB 3.46Å; L266-P316 VanDerWaalsContact CD2-CB 3.46Å; L266-P316 HydrophobicContact CD2-CG 3.91Å; L266-P316 HydrophobicContact CG-CB 4.26Å; Y270-P316 HydrophobicContact CD2-CG 4.19Å; Y270-P316 HydrophobicContact CE2-CG 4.42Å; P274-P316 HydrophobicContact CB-CG 4.11Å; P274-P316 HydrophobicContact CG-CG 4.26Å; Y280-P316 HydrophobicContact CD2-CG 4.29Å; Y280-P316 HydrophobicContact CE1-CG 4.41Å; Y280-P316 HydrophobicContact CE2-CG 3.66Å; G304-P316 WeakPolarHBondContact CA-O 3.39Å
317T98.9Very high96.5Very high0 Ų049.3 Ų49.30%026%0.259CS..EExtended strand (participates in β ladder)trans-122.1128.9-167.6-63.30000111M296 P301 V303 G305 A315 L319 P336 L337 L338M296-T317 HydrophobicContact SD-CG2 3.9Å; P301-T317 HydrophobicContact CB-CG2 3.91Å; P301-T317 HydrophobicContact CG-CG2 3.92Å; V303-T317 WeakPolarHBondContact O-CA 3.35Å; G305-T317 PolarHBondContact N-OG1 3.02Å; A315-T317 PolarHBondContact O-N 3.5Å; A315-T317 PolarHBondContact O-OG1 3.45Å; T317-L319 HydrophobicContact CG2-CD1 4.45Å; T317-L319 HydrophobicContact CG2-CG 4.26Å; T317-P336 WeakPolarHBondContact CB-O 3.23Å; T317-P336 PolarHBondContact N-O 2.72Å; T317-L337 HydrophobicContact CG2-CD2 3.96Å; T317-L337 CarbonylContact O-C 3.58Å; T317-L338 PolarHBondContact O-N 2.83Å
318V98.8Very high96.3Very high0 Ų046.8 Ų46.80%024%0.241CC..EExtended strand (participates in β ladder)trans-116.2133.2176.4-176.10000109.2V259 I262 V302 V303 I340V259-V318 HydrophobicContact CG2-CG1 4.32Å; I262-V318 HydrophobicContact CG2-CG2 3.63Å; V302-V318 HydrophobicContact CG2-CB 4.27Å; V302-V318 HydrophobicContact CG2-CG1 4.12Å; V302-V318 VanDerWaalsContact CG2-O 3.29Å; V302-V318 WeakPolarHBondContact CG2-O 3.34Å; V302-V318 PolarHBondContact N-O 3.49Å; V303-V318 HydrophobicContact CB-CB 3.86Å; V303-V318 HydrophobicContact CB-CG2 3.92Å; V303-V318 HydrophobicContact CG2-CB 3.94Å; V303-V318 HydrophobicContact CG2-CG2 4.07Å; V303-V318 PolarHBondContact N-O 2.96Å; V303-V318 PolarHBondContact O-N 3.21Å; V318-I340 HydrophobicContact CG1-CD1 3.71Å; V318-I340 HydrophobicContact CG1-CG1 4.25Å
319L98.5Very high96.3Very high3 Ų345.3 Ų45.32%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-123.7119.7-178.1-66154.9000107.3P301 T317 V322 L328 L337 L338 P339 I340P301-L319 HydrophobicContact CB-CD2 4.43Å; P301-L319 HydrophobicContact CG-CD2 4.13Å; T317-L319 HydrophobicContact CG2-CD1 4.45Å; T317-L319 HydrophobicContact CG2-CG 4.26Å; L319-V322 HydrophobicContact CB-CG2 3.74Å; L319-V322 WeakPolarHBondContact O-CG2 3.39Å; L319-L328 HydrophobicContact CB-CD2 4.49Å; L319-L328 HydrophobicContact CD1-CD2 3.47Å; L319-L328 VanDerWaalsContact CD1-CD2 3.47Å; L319-L337 HydrophobicContact CD1-CB 4.46Å; L319-L338 PolarHBondContact N-O 3.17Å; L319-P339 CarbonylContact O-C 3.52Å; L319-P339 WeakPolarHBondContact O-CA 3.36Å; L319-I340 PolarHBondContact O-N 3.31Å
320K96.4Very high96.1Very high96 Ų9648.1 Ų48.142%0.41724%0.24SC..  trans-100.4167.3177.773.1169-169.7147.90111.1V259 V302 V322V259-K320 HydrophobicContact CG2-CB 4.29Å; V302-K320 HydrophobicContact CG1-CD 3.8Å; V302-K320 HydrophobicContact CG1-CG 3.64Å; V302-K320 HydrophobicContact CG2-CB 4.2Å; V302-K320 HydrophobicContact CG2-CG 4.17Å; K320-V322 PolarHBondContact O-N 2.97Å
321D95.1Very high95.8Very high89 Ų8946.6 Ų46.648%0.47622%0.222SC..SBendtrans54.435176.6-55.4-44.6000112.1Q255 P323 I340Q255-D321 PolarHBondContact NE2-OD1 3.39Å; Q255-D321 PolarHBondContact OE1-OD1 2.92Å; Q255-D321 VanDerWaalsContact OE1-OD1 3.11Å; D321-P323 WeakPolarHBondContact O-CD 3.3Å; D321-I340 PolarHBondContact N-O 2.94Å
322V96.9Very high95.9Very high5 Ų544.7 Ų44.73%0.0321%0.213CC..  trans-74.1124.7-174.5176.40000109.3L319 K320 S326 L328 M329 P339 I340 V341L319-V322 HydrophobicContact CB-CG2 3.74Å; L319-V322 WeakPolarHBondContact O-CG2 3.39Å; K320-V322 PolarHBondContact O-N 2.97Å; V322-S326 WeakPolarHBondContact CG1-OG 3.32Å; V322-L328 HydrophobicContact CG1-CD2 4.14Å; V322-L328 HydrophobicContact CG2-CD2 4.38Å; V322-M329 HydrophobicContact CG1-CG 3.86Å; V322-M329 HydrophobicContact CG1-SD 4.48Å; V322-P339 HydrophobicContact CB-CB 4.08Å; V322-P339 HydrophobicContact CG1-CB 4.01Å; V322-P339 HydrophobicContact CG2-CB 3.73Å; V322-I340 PolarHBondContact N-O 2.76Å; V322-V341 HydrophobicContact CB-CG2 4.18Å; V322-V341 HydrophobicContact CG1-CG2 4.39Å
323P94.8Very high95.9Very high70 Ų7040 Ų4046%0.45520%0.195SC..  trans-65.8136.5179.1-20.331.8000111.8D321 H325 S326D321-P323 WeakPolarHBondContact O-CD 3.3Å; P323-H325 VanDerWaalsContact C-N 3.27Å; P323-H325 PolarHBondContact O-N 3.05Å; P323-H325 VanDerWaalsContact O-N 3.15Å; P323-S326 WeakPolarHBondContact O-CB 3.29Å; P323-S326 PolarHBondContact O-N 3.06Å; P323-S326 VanDerWaalsContact O-N 3.09Å; P323-S326 PolarHBondContact O-OG 3.09Å
324P91.3Very high95.9Very high47 Ų4740.9 Ų40.931%0.30520%0.199SC..THydrogen-bonded Turntrans-50.2-36.4180-3739.8000116.9M329 V341 F352 R356P324-M329 WeakPolarHBondContact O-CB 3.32Å; P324-V341 HydrophobicContact CG-CG1 3.99Å; P324-F352 HydrophobicContact CB-CE2 3.65Å; P324-F352 HydrophobicContact CB-CZ 4.42Å; P324-F352 HydrophobicContact CG-CE2 4Å; P324-R356 PolarHBondContact O-NH2 3.34Å
325H90.4Very high95.9Very high148 Ų14840.8 Ų40.869%0.68520%0.199SC*.THydrogen-bonded Turntrans-102.712.9-175-54.9-65.9000112.9P323P323-H325 VanDerWaalsContact C-N 3.27Å; P323-H325 PolarHBondContact O-N 3.05Å; P323-H325 VanDerWaalsContact O-N 3.15Å
326S92.9Very high95.9Very high12 Ų1240.7 Ų40.78%0.08420%0.198CC..SBendtrans-70.8156-179.278.90000111.2Y299 V322 P323 L328 M329 Q330Y299-S326 WeakPolarHBondContact OH-CB 3.42Å; Y299-S326 PolarHBondContact OH-OG 3.29Å; V322-S326 WeakPolarHBondContact CG1-OG 3.32Å; P323-S326 WeakPolarHBondContact O-CB 3.29Å; P323-S326 PolarHBondContact O-N 3.06Å; P323-S326 VanDerWaalsContact O-N 3.09Å; P323-S326 PolarHBondContact O-OG 3.09Å; S326-L328 PolarHBondContact O-N 3.37Å; S326-M329 WeakPolarHBondContact O-CA 3.45Å; S326-M329 WeakPolarHBondContact O-CB 3.48Å; S326-M329 PolarHBondContact O-N 3.32Å; S326-Q330 WeakPolarHBondContact O-CG 3.4Å; S326-Q330 PolarHBondContact O-N 2.64Å; S326-Q330 PolarHBondContact O-NE2 3.28Å
327R91.8Very high95.9Very high121 Ų12140.5 Ų40.546%0.45720%0.197SC..G310 helixtrans-55.2-39.5-179.3-177-178.5175.1-163.3-5.8112.2S294 L295 Y299 M329 Q330S294-R327 PolarHBondContact O-NH1 3.23Å; S294-R327 PolarHBondContact OG-NH2 3.44Å; L295-R327 HydrophobicContact CD2-CG 4.18Å; Y299-R327 PolarHBondContact OH-N 3.17Å; R327-M329 PolarHBondContact O-N 2.94Å; R327-M329 VanDerWaalsContact O-N 3.14Å; R327-Q330 PolarHBondContact O-N 3.32Å
328L94.8Very high95.9Very high0 Ų040.5 Ų40.50%020%0.197CC..G310 helixtrans-57.7-25.7175.9-179.361.3000112.9K212 L295 Y299 L319 V322 S326 I333 L337 P339K212-L328 PolarHBondContact NZ-O 2.81Å; L295-L328 HydrophobicContact CB-CD1 3.95Å; Y299-L328 HydrophobicContact CE2-CB 4.15Å; L319-L328 HydrophobicContact CB-CD2 4.49Å; L319-L328 HydrophobicContact CD1-CD2 3.47Å; L319-L328 VanDerWaalsContact CD1-CD2 3.47Å; V322-L328 HydrophobicContact CG1-CD2 4.14Å; V322-L328 HydrophobicContact CG2-CD2 4.38Å; S326-L328 PolarHBondContact O-N 3.37Å; L328-I333 HydrophobicContact CD1-CD1 4.02Å; L328-I333 HydrophobicContact CD1-CG1 4.23Å; L328-L337 HydrophobicContact CD1-CD1 4.05Å; L328-P339 HydrophobicContact CD2-CB 3.81Å; L328-P339 HydrophobicContact CD2-CG 4.25Å; L328-P339 HydrophobicContact CG-CB 4.27Å; L328-P339 HydrophobicContact CG-CG 4.24Å
329M96.9Very high95.9Very high3 Ų340.5 Ų40.52%0.01520%0.197CC..G310 helixtrans-96.5-1178.6-68.5-55.5-6500114.4K212 Y247 V322 P324 S326 R327 P339 V341 F352K212-M329 WeakPolarHBondContact CD-O 3.36Å; K212-M329 VanDerWaalsContact CE-O 3.26Å; K212-M329 WeakPolarHBondContact CE-O 3.48Å; Y247-M329 HydrophobicContact CD1-CE 3.8Å; Y247-M329 HydrophobicContact CD2-CE 3.68Å; Y247-M329 HydrophobicContact CE1-CE 4.17Å; Y247-M329 HydrophobicContact CE2-CE 4.03Å; Y247-M329 HydrophobicContact CG-CE 3.55Å; Y247-M329 HydrophobicContact CG-SD 4.33Å; V322-M329 HydrophobicContact CG1-CG 3.86Å; V322-M329 HydrophobicContact CG1-SD 4.48Å; P324-M329 WeakPolarHBondContact O-CB 3.32Å; S326-M329 WeakPolarHBondContact O-CA 3.45Å; S326-M329 WeakPolarHBondContact O-CB 3.48Å; S326-M329 PolarHBondContact O-N 3.32Å; R327-M329 PolarHBondContact O-N 2.94Å; R327-M329 VanDerWaalsContact O-N 3.14Å; M329-P339 HydrophobicContact SD-CB 4.13Å; M329-P339 HydrophobicContact SD-CG 3.87Å; M329-V341 HydrophobicContact CE-CG2 4Å; M329-V341 HydrophobicContact CG-CG2 4.29Å; M329-V341 HydrophobicContact SD-CG2 4.03Å; M329-F352 HydrophobicContact CE-CE1 4.09Å; M329-F352 HydrophobicContact CE-CZ 3.87Å
330Q93.3Very high95.9Very high121 Ų12140.4 Ų40.457%0.56520%0.196SC*.THydrogen-bonded Turntrans-94.6-24.6-177.7-61.8-47.4-6500114.6S326 R327S326-Q330 WeakPolarHBondContact O-CG 3.4Å; S326-Q330 PolarHBondContact O-N 2.64Å; S326-Q330 PolarHBondContact O-NE2 3.28Å; R327-Q330 PolarHBondContact O-N 3.32Å
331E92.2Very high96Very high65 Ų6535.9 Ų35.930%0.30418%0.177SC..SBendtrans-125159.7178.463.3178.5-112.100111.9K212 R291 L295 I333K212-E331 WeakPolarHBondContact CD-O 2.97Å; K212-E331 PolarHBondContact NZ-O 3.17Å; R291-E331 IonicContact CZ-OE1 3.85Å; R291-E331 IonicContact NH1-OE1 3.33Å; R291-E331 PolarHBondContact NH1-OE1 3.44Å; L295-E331 HydrophobicContact CD1-CG 4.07Å; L295-E331 VanDerWaalsContact CD2-CD 3.49Å; L295-E331 HydrophobicContact CD2-CG 3.59Å; L295-E331 HydrophobicContact CG-CG 4.44Å; E331-I333 PolarHBondContact O-N 2.99Å
332E97.3Very high96.1Very high47 Ų4734.1 Ų34.122%0.2217%0.169CC..  trans-62.9127.8172.4-176.7177-157.100110G210 G211 R291 F334G210-E332 WeakPolarHBondContact CA-OE1 3.27Å; G211-E332 PolarHBondContact N-OE1 3.11Å; G211-E332 PolarHBondContact N-OE2 3.46Å; R291-E332 PolarHBondContact NH1-O 3.03Å; E332-F334 HydrophobicContact CG-CB 4.31Å; E332-F334 HydrophobicContact CG-CD2 4.25Å
333I98.3Very high96.2Very high0 Ų034 Ų340%017%0.169CC..  trans-71.9-46.7-173.5-63.3176.7000110D246 R291 L328 E331 G335 L337 P339D246-I333 WeakPolarHBondContact O-CD1 3.29Å; D246-I333 WeakPolarHBondContact OD2-CB 3.46Å; D246-I333 WeakPolarHBondContact OD2-CG1 3.36Å; D246-I333 PolarHBondContact OD2-N 2.68Å; R291-I333 PolarHBondContact NH2-O 3.43Å; L328-I333 HydrophobicContact CD1-CD1 4.02Å; L328-I333 HydrophobicContact CD1-CG1 4.23Å; E331-I333 PolarHBondContact O-N 2.99Å; I333-G335 WeakPolarHBondContact CG2-O 3.03Å; I333-G335 PolarHBondContact O-N 3.24Å; I333-L337 HydrophobicContact CD1-CB 4.48Å; I333-L337 WeakPolarHBondContact CD1-O 3.46Å; I333-L337 HydrophobicContact CG2-CB 3.79Å; I333-L337 HydrophobicContact CG2-CD1 4.42Å; I333-L337 HydrophobicContact CG2-CG 4.14Å; I333-P339 HydrophobicContact CD1-CG 3.65Å
334F98.5Very high96.3Very high24 Ų2434.2 Ų34.211%0.10517%0.171CC..  trans45.646.9-179.9-141.5-102.2000113.2W112 N113 G239 Q240 T241 C242 E332W112-F334 AromaticContact CH2-CD1 3.54Å; W112-F334 HydrophobicContact CH2-CD1 3.54Å; W112-F334 AromaticContact CH2-CE1 3.31Å; W112-F334 HydrophobicContact CH2-CE1 3.31Å; W112-F334 AromaticContact CZ2-CD1 3.68Å; W112-F334 HydrophobicContact CZ2-CD1 3.68Å; W112-F334 AromaticContact CZ2-CE1 3.37Å; W112-F334 HydrophobicContact CZ2-CE1 3.37Å; W112-F334 HydrophobicContact CZ3-CE1 4.07Å; N113-F334 HydrophobicContact CB-CE1 4Å; N113-F334 HydrophobicContact CB-CZ 4.03Å; N113-F334 WeakPolarHBondContact ND2-CZ 3.32Å; G239-F334 CarbonylContact O-C 3.54Å; G239-F334 WeakPolarHBondContact O-CA 3.42Å; Q240-F334 HydrophobicContact CB-CD1 3.91Å; Q240-F334 HydrophobicContact CB-CE1 3.81Å; Q240-F334 HydrophobicContact CG-CD1 4.3Å; T241-F334 VanDerWaalsContact C-CE2 3.5Å; C242-F334 HydrophobicContact CB-CE2 4.45Å; E332-F334 HydrophobicContact CG-CB 4.31Å; E332-F334 HydrophobicContact CG-CD2 4.25Å
335G98.6Very high96.6Very high0 Ų035.2 Ų35.20%017%0.174CC..SBendtrans-175.2173.6-167.600000111.6K234 C238 G239 I333 L337K234-G335 WeakPolarHBondContact CE-O 3.5Å; K234-G335 PolarHBondContact NZ-O 3.5Å; C238-G335 CarbonylContact O-C 3.58Å; C238-G335 VanDerWaalsContact O-CA 3.22Å; C238-G335 WeakPolarHBondContact O-CA 3.4Å; G239-G335 PolarHBondContact O-N 3.04Å; G239-G335 VanDerWaalsContact O-N 3.15Å; I333-G335 WeakPolarHBondContact CG2-O 3.03Å; I333-G335 PolarHBondContact O-N 3.24Å; G335-L337 PolarHBondContact O-N 3.45Å
336P98.6Very high96.9Very high0 Ų029 Ų290%015%0.146CC..SBendtrans-86.240.3-168.636.2-37.3000112.9F235 C238 Y280 I314 T317F235-P336 HydrophobicContact CD1-CB 3.93Å; F235-P336 HydrophobicContact CE1-CB 4.12Å; F235-P336 WeakPolarHBondContact CE1-O 3.38Å; C238-P336 VanDerWaalsContact O-CD 3.27Å; C238-P336 WeakPolarHBondContact O-CD 3.43Å; C238-P336 VanDerWaalsContact O-N 3.15Å; Y280-P336 WeakPolarHBondContact OH-CB 3.06Å; Y280-P336 WeakPolarHBondContact OH-CG 3.45Å; I314-P336 HydrophobicContact CB-CG 3.74Å; I314-P336 HydrophobicContact CG2-CG 3.78Å; T317-P336 WeakPolarHBondContact CB-O 3.23Å; T317-P336 PolarHBondContact N-O 2.72Å
337L98.8Very high97.2Very high0 Ų033.3 Ų33.30%017%0.165CC..EExtended strand (participates in β ladder)trans-107.5123.8172.3-45.4-177.7000109.4K234 I292 L295 M296 I314 T317 L319 L328 I333 G335 P339K234-L337 WeakPolarHBondContact CE-O 3.42Å; K234-L337 PolarHBondContact NZ-O 2.87Å; I292-L337 HydrophobicContact CG2-CD1 3.74Å; I292-L337 HydrophobicContact CG2-CD2 4.23Å; I292-L337 HydrophobicContact CG2-CG 3.78Å; L295-L337 HydrophobicContact CB-CD1 4.13Å; M296-L337 HydrophobicContact CB-CD1 4.18Å; M296-L337 HydrophobicContact SD-CD2 4.15Å; I314-L337 HydrophobicContact CG2-CD2 4.29Å; T317-L337 HydrophobicContact CG2-CD2 3.96Å; T317-L337 CarbonylContact O-C 3.58Å; L319-L337 HydrophobicContact CD1-CB 4.46Å; L328-L337 HydrophobicContact CD1-CD1 4.05Å; I333-L337 HydrophobicContact CD1-CB 4.48Å; I333-L337 WeakPolarHBondContact CD1-O 3.46Å; I333-L337 HydrophobicContact CG2-CB 3.79Å; I333-L337 HydrophobicContact CG2-CD1 4.42Å; I333-L337 HydrophobicContact CG2-CG 4.14Å; G335-L337 PolarHBondContact O-N 3.45Å; L337-P339 WeakPolarHBondContact O-CD 3.05Å
338L98.9Very high97.5Very high0 Ų030.5 Ų30.50%016%0.159CC..EExtended strand (participates in β ladder)trans-117.290.6179.4-175.158.5000110.1V230 K234 F235 I248 I262 T317 L319V230-L338 HydrophobicContact CG1-CD2 4.16Å; K234-L338 HydrophobicContact CB-CD2 4.5Å; K234-L338 HydrophobicContact CD-CB 4.32Å; K234-L338 HydrophobicContact CD-CD1 4.05Å; K234-L338 HydrophobicContact CG-CB 4.12Å; K234-L338 HydrophobicContact CG-CD1 4.22Å; K234-L338 HydrophobicContact CG-CD2 4.18Å; K234-L338 HydrophobicContact CG-CG 4.41Å; F235-L338 HydrophobicContact CE2-CD2 4.43Å; F235-L338 HydrophobicContact CZ-CB 4.22Å; F235-L338 HydrophobicContact CZ-CD2 4.48Å; I248-L338 HydrophobicContact CD1-CD1 4.24Å; I248-L338 HydrophobicContact CD1-CD2 3.9Å; I248-L338 HydrophobicContact CD1-CG 4.16Å; I248-L338 HydrophobicContact CG1-CD1 4.12Å; I262-L338 HydrophobicContact CD1-CD2 3.83Å; T317-L338 PolarHBondContact O-N 2.83Å; L319-L338 PolarHBondContact N-O 3.17Å
339P98.7Very high97.7Very high0 Ų030.5 Ų30.50%016%0.159CC..EExtended strand (participates in β ladder)trans-69.814117127-33000111.9D246 Y247 I248 L319 V322 L328 M329 I333 L337D246-P339 WeakPolarHBondContact O-CD 3.48Å; Y247-P339 WeakPolarHBondContact CA-O 3.31Å; I248-P339 PolarHBondContact N-O 2.88Å; L319-P339 CarbonylContact O-C 3.52Å; L319-P339 WeakPolarHBondContact O-CA 3.36Å; V322-P339 HydrophobicContact CB-CB 4.08Å; V322-P339 HydrophobicContact CG1-CB 4.01Å; V322-P339 HydrophobicContact CG2-CB 3.73Å; L328-P339 HydrophobicContact CD2-CB 3.81Å; L328-P339 HydrophobicContact CD2-CG 4.25Å; L328-P339 HydrophobicContact CG-CB 4.27Å; L328-P339 HydrophobicContact CG-CG 4.24Å; M329-P339 HydrophobicContact SD-CB 4.13Å; M329-P339 HydrophobicContact SD-CG 3.87Å; I333-P339 HydrophobicContact CD1-CG 3.65Å; L337-P339 WeakPolarHBondContact O-CD 3.05Å
340I98.8Very high97.8Very high0 Ų030.5 Ų30.50%016%0.159CC..EExtended strand (participates in β ladder)trans-114.3117.5171.4-51.8172000107.7I248 Q255 V258 V259 V318 L319 D321 V322I248-I340 HydrophobicContact CB-CG1 4.25Å; I248-I340 HydrophobicContact CB-CG2 4.28Å; I248-I340 HydrophobicContact CD1-CG1 4.31Å; I248-I340 HydrophobicContact CG2-CG2 4.08Å; Q255-I340 HydrophobicContact CG-CG2 3.8Å; V258-I340 HydrophobicContact CG1-CD1 3.84Å; V259-I340 HydrophobicContact CG2-CD1 3.64Å; V318-I340 HydrophobicContact CG1-CD1 3.71Å; V318-I340 HydrophobicContact CG1-CG1 4.25Å; L319-I340 PolarHBondContact O-N 3.31Å; D321-I340 PolarHBondContact N-O 2.94Å; V322-I340 PolarHBondContact N-O 2.76Å
341V98.6Very high98Very high2 Ų228.4 Ų28.41%0.01215%0.151CC..EExtended strand (participates in β ladder)trans-106.9129.7174.6-177.30000107.7I248 L249 C250 V322 P324 M329 F352I248-V341 PolarHBondContact O-N 2.94Å; L249-V341 WeakPolarHBondContact CA-O 3.35Å; L249-V341 HydrophobicContact CD2-CB 3.91Å; L249-V341 HydrophobicContact CD2-CG1 4.27Å; C250-V341 PolarHBondContact N-O 2.9Å; V322-V341 HydrophobicContact CB-CG2 4.18Å; V322-V341 HydrophobicContact CG1-CG2 4.39Å; P324-V341 HydrophobicContact CG-CG1 3.99Å; M329-V341 HydrophobicContact CE-CG2 4Å; M329-V341 HydrophobicContact CG-CG2 4.29Å; M329-V341 HydrophobicContact SD-CG2 4.03Å; V341-F352 HydrophobicContact CG1-CE2 3.88Å; V341-F352 HydrophobicContact CG1-CZ 4.21Å
342T98.3Very high98.3Very high51 Ų5125.9 Ų25.931%0.31314%0.139SC..EExtended strand (participates in β ladder)trans-86.1141.6177.147.50000111.2C250 P252 Q255C250-T342 VanDerWaalsContact O-CA 3.23Å; C250-T342 WeakPolarHBondContact O-CA 3.27Å; P252-T342 HydrophobicContact CB-CG2 4.36Å; P252-T342 HydrophobicContact CG-CG2 4.24Å; Q255-T342 HydrophobicContact CB-CG2 4.24Å; Q255-T342 HydrophobicContact CG-CG2 4.16Å
343V98.3Very high98.4Very high4 Ų424 Ų242%0.02413%0.131CC..  trans-128.4152176.7-70.50000109Y216 L249 C250 E251 P252 D345 D348 A349Y216-V343 HydrophobicContact CE2-CG2 4.29Å; L249-V343 HydrophobicContact CB-CG2 4.27Å; L249-V343 HydrophobicContact CD2-CG1 3.95Å; C250-V343 PolarHBondContact O-N 2.57Å; E251-V343 WeakPolarHBondContact CA-O 3.34Å; P252-V343 WeakPolarHBondContact CD-O 3.39Å; V343-D345 VanDerWaalsContact C-N 3.32Å; V343-D345 PolarHBondContact O-N 3Å; V343-D348 VanDerWaalsContact CA-OD2 3.25Å; V343-D348 WeakPolarHBondContact CA-OD2 3.37Å; V343-D348 HydrophobicContact CB-CB 4.18Å; V343-D348 WeakPolarHBondContact CB-OD2 3.44Å; V343-A349 HydrophobicContact CG2-CB 4.08Å
344S97.6Very high98.4Very high73 Ų7327.9 Ų27.951%0.5115%0.152SC..SBendtrans-67.6-35.4-177.859.90000112.8D348S344-D348 PolarHBondContact N-OD2 2.96Å; S344-D348 WeakPolarHBondContact OG-CB 3.24Å
345D97.1Very high98.4Very high68 Ų6833.4 Ų33.436%0.36418%0.178SC..SBendtrans-166.9-173.7-174.753.157.1000110.4V343 E347 D348 A349V343-D345 VanDerWaalsContact C-N 3.32Å; V343-D345 PolarHBondContact O-N 3Å; D345-E347 VanDerWaalsContact C-N 3.33Å; D345-E347 PolarHBondContact O-N 3.44Å; D345-E347 WeakPolarHBondContact OD1-CA 3.41Å; D345-E347 VanDerWaalsContact OD1-CB 3.28Å; D345-E347 WeakPolarHBondContact OD1-CB 3.37Å; D345-E347 PolarHBondContact OD1-N 2.96Å; D345-D348 PolarHBondContact OD1-N 2.87Å; D345-A349 PolarHBondContact O-N 3.29Å; D345-A349 VanDerWaalsContact O-N 3.12Å
346M97.2Very high98.3Very high19 Ų1936.1 Ų36.19%0.09419%0.188CC..Hα-helixtrans-64.6-32.4177.5178169.8-71.200113.6Y216 A349 I350 A371 M375Y216-M346 HydrophobicContact CD1-CE 4.08Å; Y216-M346 HydrophobicContact CE1-CE 3.41Å; Y216-M346 VanDerWaalsContact CE1-CE 3.41Å; M346-A349 WeakPolarHBondContact O-CB 3.34Å; M346-A349 PolarHBondContact O-N 3.26Å; M346-I350 HydrophobicContact CG-CD1 3.92Å; M346-I350 HydrophobicContact CG-CG1 4.37Å; M346-I350 VanDerWaalsContact O-CG1 3.29Å; M346-I350 WeakPolarHBondContact O-CG1 3.45Å; M346-I350 PolarHBondContact O-N 2.79Å; M346-A371 HydrophobicContact CE-CB 3.56Å; M346-A371 HydrophobicContact SD-CB 3.64Å; M346-A371 VanDerWaalsContact SD-O 3.36Å; M346-M375 HydrophobicContact CE-CE 4.11Å; M346-M375 HydrophobicContact CG-CE 3.76Å; M346-M375 HydrophobicContact SD-CB 4.46Å; M346-M375 HydrophobicContact SD-CE 4.3Å
347E98.3Very high98.3Very high102 Ų10242.5 Ų42.548%0.47722%0.218SC..Hα-helixtrans-69.5-43.6-179.5-178.3165.1156.700110.7D345 A349 I350 N351 R374D345-E347 VanDerWaalsContact C-N 3.33Å; D345-E347 PolarHBondContact O-N 3.44Å; D345-E347 WeakPolarHBondContact OD1-CA 3.41Å; D345-E347 VanDerWaalsContact OD1-CB 3.28Å; D345-E347 WeakPolarHBondContact OD1-CB 3.37Å; D345-E347 PolarHBondContact OD1-N 2.96Å; E347-A349 VanDerWaalsContact C-N 3.28Å; E347-A349 PolarHBondContact O-N 3.26Å; E347-I350 PolarHBondContact O-N 2.89Å; E347-N351 VanDerWaalsContact O-CG 3.31Å; E347-N351 PolarHBondContact O-N 3.45Å; E347-N351 PolarHBondContact O-ND2 3.06Å; E347-R374 IonicContact OE2-CZ 4Å; E347-R374 IonicContact OE2-NH1 2.68Å; E347-R374 IonicContact OE2-NH2 2.63Å; E347-R374 PolarHBondContact OE2-NH2 3.27Å
348D98.3Very high98.3Very high62 Ų6246.8 Ų46.833%0.33224%0.236SC..Hα-helixtrans-59.9-39.3171.5-170.736.4000111.4V343 S344 D345 N351 F352V343-D348 VanDerWaalsContact CA-OD2 3.25Å; V343-D348 WeakPolarHBondContact CA-OD2 3.37Å; V343-D348 HydrophobicContact CB-CB 4.18Å; V343-D348 WeakPolarHBondContact CB-OD2 3.44Å; S344-D348 PolarHBondContact N-OD2 2.96Å; S344-D348 WeakPolarHBondContact OG-CB 3.24Å; D345-D348 PolarHBondContact OD1-N 2.87Å; D348-N351 PolarHBondContact O-N 3.35Å; D348-F352 VanDerWaalsContact O-CB 3.29Å; D348-F352 WeakPolarHBondContact O-CB 3.19Å; D348-F352 PolarHBondContact O-N 2.67Å
349A98.6Very high98.3Very high0 Ų047 Ų470%024%0.238CC..Hα-helixtrans-61.6-45.1173.100000113.2Y216 L249 V343 D345 M346 E347 F352 I353 M375Y216-A349 HydrophobicContact CD2-CB 3.54Å; Y216-A349 HydrophobicContact CE2-CB 3.68Å; Y216-A349 HydrophobicContact CG-CB 4.47Å; L249-A349 HydrophobicContact CD1-CB 4.05Å; V343-A349 HydrophobicContact CG2-CB 4.08Å; D345-A349 PolarHBondContact O-N 3.29Å; D345-A349 VanDerWaalsContact O-N 3.12Å; M346-A349 WeakPolarHBondContact O-CB 3.34Å; M346-A349 PolarHBondContact O-N 3.26Å; E347-A349 VanDerWaalsContact C-N 3.28Å; E347-A349 PolarHBondContact O-N 3.26Å; A349-F352 PolarHBondContact O-N 2.97Å; A349-I353 WeakPolarHBondContact O-CD1 3.46Å; A349-I353 VanDerWaalsContact O-CG1 3.24Å; A349-I353 WeakPolarHBondContact O-CG1 3.32Å; A349-I353 PolarHBondContact O-N 2.93Å; A349-M375 HydrophobicContact CB-CE 4.31Å
350I98.8Very high98.3Very high3 Ų347.2 Ų47.22%0.01524%0.239CC..Hα-helixtrans-61.9-46177.9-72.6166.2000110.1M346 E347 I353 N354 R374 M375 E378 T379M346-I350 HydrophobicContact CG-CD1 3.92Å; M346-I350 HydrophobicContact CG-CG1 4.37Å; M346-I350 VanDerWaalsContact O-CG1 3.29Å; M346-I350 WeakPolarHBondContact O-CG1 3.45Å; M346-I350 PolarHBondContact O-N 2.79Å; E347-I350 PolarHBondContact O-N 2.89Å; I350-I353 PolarHBondContact O-N 2.67Å; I350-N354 WeakPolarHBondContact O-CB 3.25Å; I350-N354 PolarHBondContact O-N 2.83Å; I350-N354 PolarHBondContact O-ND2 2.89Å; I350-R374 HydrophobicContact CD1-CG 4.18Å; I350-M375 HydrophobicContact CD1-CB 4.3Å; I350-M375 HydrophobicContact CG1-CB 4.36Å; I350-M375 HydrophobicContact CG1-CE 4.13Å; I350-M375 HydrophobicContact CG1-CG 4.22Å; I350-E378 HydrophobicContact CD1-CB 4.35Å; I350-E378 HydrophobicContact CG2-CB 3.85Å; I350-T379 HydrophobicContact CB-CG2 4.47Å; I350-T379 HydrophobicContact CG1-CG2 4.29Å; I350-T379 HydrophobicContact CG2-CG2 4.09Å
351N98.6Very high98.3Very high76 Ų7647.2 Ų47.241%0.40624%0.239SC..Hα-helixtrans-61.4-46.5177.1-69.1-29.8000111.3E347 D348 I353 N354 E355E347-N351 VanDerWaalsContact O-CG 3.31Å; E347-N351 PolarHBondContact O-N 3.45Å; E347-N351 PolarHBondContact O-ND2 3.06Å; D348-N351 PolarHBondContact O-N 3.35Å; N351-I353 VanDerWaalsContact C-N 3.28Å; N351-I353 PolarHBondContact O-N 2.85Å; N351-N354 PolarHBondContact O-N 2.82Å; N351-N354 VanDerWaalsContact O-N 3.15Å; N351-E355 WeakPolarHBondContact O-CG 3.43Å; N351-E355 PolarHBondContact O-N 3.14Å
352F98.5Very high98.3Very high13 Ų1347.2 Ų47.26%0.05724%0.239CC..Hα-helixtrans-55.3-43.7177.5-174.5-78.7000112.6Y247 L249 P324 M329 V341 D348 A349 R356Y247-F352 HydrophobicContact CD2-CE1 4.39Å; Y247-F352 HydrophobicContact CE2-CD1 4.05Å; Y247-F352 AromaticContact CE2-CE1 3.52Å; Y247-F352 HydrophobicContact CE2-CE1 3.52Å; Y247-F352 HydrophobicContact CE2-CZ 4.44Å; Y247-F352 AromaticContact CZ-CE1 3.82Å; L249-F352 HydrophobicContact CD1-CB 4.43Å; L249-F352 HydrophobicContact CD1-CD1 3.96Å; L249-F352 HydrophobicContact CD1-CG 4.38Å; L249-F352 HydrophobicContact CD2-CD1 3.94Å; L249-F352 HydrophobicContact CD2-CE1 4.02Å; L249-F352 HydrophobicContact CD2-CG 4.23Å; L249-F352 HydrophobicContact CD2-CZ 4.34Å; P324-F352 HydrophobicContact CB-CE2 3.65Å; P324-F352 HydrophobicContact CB-CZ 4.42Å; P324-F352 HydrophobicContact CG-CE2 4Å; M329-F352 HydrophobicContact CE-CE1 4.09Å; M329-F352 HydrophobicContact CE-CZ 3.87Å; V341-F352 HydrophobicContact CG1-CE2 3.88Å; V341-F352 HydrophobicContact CG1-CZ 4.21Å; D348-F352 VanDerWaalsContact O-CB 3.29Å; D348-F352 WeakPolarHBondContact O-CB 3.19Å; D348-F352 PolarHBondContact O-N 2.67Å; A349-F352 PolarHBondContact O-N 2.97Å; F352-R356 PolarHBondContact O-NH1 3.38Å
353I98.7Very high98.3Very high8 Ų844.8 Ų44.84%0.04122%0.224CC..Hα-helixtrans-67.1-46.3178.3-68.1164.3000110.3P214 L249 A349 I350 N351 E355 R356 L362 T379P214-I353 HydrophobicContact CB-CD1 3.99Å; P214-I353 HydrophobicContact CB-CG1 3.94Å; P214-I353 HydrophobicContact CG-CD1 4.12Å; P214-I353 HydrophobicContact CG-CG1 3.83Å; P214-I353 HydrophobicContact CG-CG2 4.16Å; L249-I353 HydrophobicContact CD1-CD1 4.07Å; L249-I353 HydrophobicContact CD1-CG1 3.91Å; A349-I353 WeakPolarHBondContact O-CD1 3.46Å; A349-I353 VanDerWaalsContact O-CG1 3.24Å; A349-I353 WeakPolarHBondContact O-CG1 3.32Å; A349-I353 PolarHBondContact O-N 2.93Å; I350-I353 PolarHBondContact O-N 2.67Å; N351-I353 VanDerWaalsContact C-N 3.28Å; N351-I353 PolarHBondContact O-N 2.85Å; I353-E355 VanDerWaalsContact C-N 3.31Å; I353-E355 PolarHBondContact O-N 3.39Å; I353-R356 PolarHBondContact O-N 3.11Å; I353-R356 VanDerWaalsContact O-N 3.14Å; I353-L362 HydrophobicContact CD1-CD1 3.88Å; I353-T379 HydrophobicContact CB-CG2 4.42Å; I353-T379 HydrophobicContact CG2-CG2 4.09Å
354N98.6Very high98.3Very high81 Ų8144.6 Ų44.643%0.43322%0.223SC..Hα-helixtrans-70.6-22.9-175.8-75.4-22.9000114.3I350 N351 R356 E378I350-N354 WeakPolarHBondContact O-CB 3.25Å; I350-N354 PolarHBondContact O-N 2.83Å; I350-N354 PolarHBondContact O-ND2 2.89Å; N351-N354 PolarHBondContact O-N 2.82Å; N351-N354 VanDerWaalsContact O-N 3.15Å; N354-R356 PolarHBondContact O-N 3.47Å; N354-E378 PolarHBondContact ND2-O 2.89Å; N354-E378 PolarHBondContact OD1-O 3.42Å
355E97.8Very high98.4Very high140 Ų14041.2 Ų41.265%0.65420%0.199SC*.THydrogen-bonded Turntrans-71.3-8.5172.2-75.3177.9178.600113.6N351 I353N351-E355 WeakPolarHBondContact O-CG 3.43Å; N351-E355 PolarHBondContact O-N 3.14Å; I353-E355 VanDerWaalsContact C-N 3.31Å; I353-E355 PolarHBondContact O-N 3.39Å
356R97.7Very high98.5Very high57 Ų5738 Ų3822%0.21518%0.182CC..SBendtrans-113.9167.6-175.6-74.6160.2179.464.34.2111.5P324 F352 I353 N354P324-R356 PolarHBondContact O-NH2 3.34Å; F352-R356 PolarHBondContact O-NH1 3.38Å; I353-R356 PolarHBondContact O-N 3.11Å; I353-R356 VanDerWaalsContact O-N 3.14Å; N354-R356 PolarHBondContact O-N 3.47Å
357E98Very high98.5Very high134 Ų13440.5 Ų40.563%0.62620%0.201SC*.PPolyproline II helixtrans-60.1141.1173.5-70.7-62.2162.700111.4P359 Q405E357-P359 WeakPolarHBondContact O-CD 3.33Å; E357-Q405 HydrophobicContact CB-CB 3.98Å; E357-Q405 HydrophobicContact CB-CG 4.27Å; E357-Q405 HydrophobicContact CG-CB 4.07Å; E357-Q405 HydrophobicContact CG-CG 4.11Å; E357-Q405 WeakPolarHBondContact OE2-CB 3.37Å
358K98.7Very high98.4Very high90 Ų9039.6 Ų39.639%0.39120%0.199SC..PPolyproline II helixtrans-61.4117.4-176.9-67.8173.6179-175.40110.8T380 V403 S406K358-T380 HydrophobicContact CD-CG2 3.74Å; K358-T380 HydrophobicContact CG-CG2 4.35Å; K358-V403 HydrophobicContact CB-CG1 4.17Å; K358-V403 VanDerWaalsContact CB-O 3.31Å; K358-V403 WeakPolarHBondContact CB-O 3.27Å; K358-V403 HydrophobicContact CD-CG1 4.26Å; K358-V403 HydrophobicContact CD-CG2 4.33Å; K358-S406 VanDerWaalsContact O-CB 3.22Å; K358-S406 WeakPolarHBondContact O-CB 3.38Å; K358-S406 PolarHBondContact O-OG 3.47Å
359P98.6Very high98.4Very high4 Ų443.1 Ų43.13%0.02621%0.214CC..PPolyproline II helixtrans-78.3162.6-174.533.2-37000112.1P214 E357 S381 G382 S406P214-P359 HydrophobicContact CG-CG 4.12Å; E357-P359 WeakPolarHBondContact O-CD 3.33Å; P359-S381 VanDerWaalsContact O-CA 3.3Å; P359-S381 WeakPolarHBondContact O-CA 3.43Å; P359-S381 WeakPolarHBondContact O-CB 3.12Å; P359-G382 PolarHBondContact O-N 2.91Å; P359-S406 PolarHBondContact O-OG 3.32Å
360L98.8Very high98.4Very high5 Ų551.3 Ų51.33%0.02625%0.249CC..SBendtrans-67.9-40.2174.1-176.861.1000111.3C242 I243 G382 G383 F400C242-L360 HydrophobicContact CB-CD2 3.56Å; I243-L360 HydrophobicContact CG2-CB 4.5Å; I243-L360 HydrophobicContact CG2-CD2 3.47Å; I243-L360 VanDerWaalsContact CG2-CD2 3.47Å; I243-L360 HydrophobicContact CG2-CG 3.77Å; L360-G382 CarbonylContact O-C 3.53Å; L360-G382 WeakPolarHBondContact O-CA 3.4Å; L360-G382 PolarHBondContact O-N 2.91Å; L360-G382 VanDerWaalsContact O-N 3.17Å; L360-G383 PolarHBondContact O-N 3.34Å; L360-F400 HydrophobicContact CD2-CE2 4.47Å; L360-F400 HydrophobicContact CD2-CZ 4.02Å
361A98.9Very high98.3Very high0 Ų051.9 Ų51.90%026%0.255CS..EExtended strand (participates in β ladder)trans-130.5152.6177.600000112.2S213 P214 I243 Y363 G383S213-A361 VanDerWaalsContact CA-O 3.26Å; S213-A361 WeakPolarHBondContact CA-O 3.3Å; S213-A361 VanDerWaalsContact CB-O 3.24Å; S213-A361 WeakPolarHBondContact CB-O 3.27Å; S213-A361 PolarHBondContact OG-N 2.83Å; S213-A361 PolarHBondContact OG-O 3.32Å; P214-A361 WeakPolarHBondContact CD-O 3.33Å; I243-A361 HydrophobicContact CB-CB 4.08Å; I243-A361 HydrophobicContact CG2-CB 4.01Å; A361-Y363 HydrophobicContact CB-CE1 4.28Å; A361-Y363 HydrophobicContact CB-CE2 4.13Å; A361-G383 CarbonylContact C-O 3.42Å; A361-G383 WeakPolarHBondContact CA-O 3.46Å
362L98.9Very high98.3Very high1 Ų148.8 Ų48.81%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-128.3133.8169.2168.965.5000109.4P214 I353 I364 M375 T379 G383 V384 T385P214-L362 HydrophobicContact CB-CD1 3.96Å; P214-L362 HydrophobicContact CG-CD1 3.92Å; I353-L362 HydrophobicContact CD1-CD1 3.88Å; L362-I364 HydrophobicContact CD2-CD1 4.21Å; L362-I364 HydrophobicContact CD2-CG1 4.37Å; L362-I364 HydrophobicContact CG-CD1 4.47Å; L362-I364 HydrophobicContact CG-CG1 4.12Å; L362-M375 HydrophobicContact CD2-CG 4.25Å; L362-T379 VanDerWaalsContact CD2-OG1 3.22Å; L362-T379 WeakPolarHBondContact CD2-OG1 3.36Å; L362-G383 PolarHBondContact N-O 3.23Å; L362-V384 HydrophobicContact CB-CG2 4.29Å; L362-V384 HydrophobicContact CD2-CG2 4.33Å; L362-V384 VanDerWaalsContact O-CA 3.32Å; L362-V384 WeakPolarHBondContact O-CA 3.19Å; L362-T385 PolarHBondContact O-N 2.83Å
363Y98.9Very high98.3Very high0 Ų053.8 Ų53.80%026%0.26CS..EExtended strand (participates in β ladder)trans-117.1132.9178.6-56.6-57.6000111.6P214 C215 Y216 I243 P245 A361 T385 D388 V389 M390P214-Y363 PolarHBondContact O-N 3.45Å; C215-Y363 WeakPolarHBondContact CA-O 3.39Å; Y216-Y363 PolarHBondContact N-O 3.16Å; I243-Y363 VanDerWaalsContact O-CE2 3.27Å; I243-Y363 WeakPolarHBondContact O-CE2 3.36Å; I243-Y363 VanDerWaalsContact O-CZ 3.31Å; I243-Y363 PolarHBondContact O-OH 3.17Å; P245-Y363 HydrophobicContact CB-CD2 4.32Å; P245-Y363 HydrophobicContact CG-CD2 4.03Å; P245-Y363 HydrophobicContact CG-CE2 4.01Å; A361-Y363 HydrophobicContact CB-CE1 4.28Å; A361-Y363 HydrophobicContact CB-CE2 4.13Å; Y363-T385 WeakPolarHBondContact CA-O 3.43Å; Y363-D388 WeakPolarHBondContact CD1-O 3.39Å; Y363-V389 HydrophobicContact CD1-CB 4.13Å; Y363-V389 HydrophobicContact CD1-CG1 3.94Å; Y363-V389 HydrophobicContact CD2-CB 4.4Å; Y363-V389 HydrophobicContact CD2-CG1 3.95Å; Y363-V389 HydrophobicContact CE1-CB 3.99Å; Y363-V389 HydrophobicContact CE1-CG1 4.3Å; Y363-V389 HydrophobicContact CE2-CB 4.23Å; Y363-V389 HydrophobicContact CE2-CG1 4.28Å; Y363-V389 HydrophobicContact CG-CB 4.33Å; Y363-V389 HydrophobicContact CG-CG1 3.75Å; Y363-M390 WeakPolarHBondContact OH-CA 3.48Å; Y363-M390 PolarHBondContact OH-N 3.02Å
364I98.8Very high98.3Very high0 Ų057.1 Ų57.10%027%0.272CS..EExtended strand (participates in β ladder)trans-130107.5-175-45.8177.1000108.7Y216 L362 C366 I372 M375 I376 V384 T385 V386 N387Y216-I364 HydrophobicContact CD1-CG2 4.41Å; L362-I364 HydrophobicContact CD2-CD1 4.21Å; L362-I364 HydrophobicContact CD2-CG1 4.37Å; L362-I364 HydrophobicContact CG-CD1 4.47Å; L362-I364 HydrophobicContact CG-CG1 4.12Å; I364-C366 HydrophobicContact CG2-CB 4.13Å; I364-I372 HydrophobicContact CG2-CG1 4.44Å; I364-M375 HydrophobicContact CB-SD 4.31Å; I364-M375 HydrophobicContact CD1-CB 3.97Å; I364-M375 HydrophobicContact CD1-CG 3.74Å; I364-M375 HydrophobicContact CD1-SD 3.73Å; I364-M375 HydrophobicContact CG1-CG 4.28Å; I364-M375 HydrophobicContact CG1-SD 3.6Å; I364-M375 VanDerWaalsContact CG1-SD 3.6Å; I364-M375 HydrophobicContact CG2-SD 3.93Å; I364-I376 HydrophobicContact CD1-CG1 3.87Å; I364-V384 HydrophobicContact CD1-CG1 3.89Å; I364-V384 HydrophobicContact CG1-CG1 4.27Å; I364-T385 PolarHBondContact N-O 2.92Å; I364-T385 VanDerWaalsContact N-O 3.12Å; I364-V386 HydrophobicContact CB-CG2 4.43Å; I364-V386 HydrophobicContact CD1-CG2 4.47Å; I364-V386 CarbonylContact O-C 3.48Å; I364-V386 WeakPolarHBondContact O-CA 3.29Å; I364-N387 PolarHBondContact O-N 3.4Å
365F98.9Very high98.3Very high3 Ų353.3 Ų53.31%0.01325%0.251CS..EExtended strand (participates in β ladder)trans-97.8104.3170.3-70.1-91.3000108.9Y216 I217 D218 A226 R229 V230 N387 V389Y216-F365 PolarHBondContact O-N 2.99Å; I217-F365 HydrophobicContact CG1-CB 4.31Å; I217-F365 HydrophobicContact CG1-CD2 4.23Å; I217-F365 HydrophobicContact CG2-CB 4.38Å; D218-F365 WeakPolarHBondContact CB-O 3.41Å; D218-F365 PolarHBondContact N-O 3.16Å; A226-F365 HydrophobicContact CB-CB 3.9Å; A226-F365 HydrophobicContact CB-CD1 3.29Å; A226-F365 HydrophobicContact CB-CD2 4.35Å; A226-F365 HydrophobicContact CB-CE1 3.84Å; A226-F365 HydrophobicContact CB-CG 3.59Å; R229-F365 HydrophobicContact CB-CE1 4.13Å; R229-F365 HydrophobicContact CB-CZ 3.99Å; V230-F365 HydrophobicContact CG2-CD2 4.21Å; V230-F365 HydrophobicContact CG2-CE2 3.43Å; V230-F365 VanDerWaalsContact CG2-CE2 3.43Å; V230-F365 HydrophobicContact CG2-CZ 3.79Å; F365-N387 VanDerWaalsContact CA-OD1 3.31Å; F365-N387 WeakPolarHBondContact CA-OD1 3.2Å; F365-N387 HydrophobicContact CD1-CB 4.48Å; F365-N387 VanDerWaalsContact CE1-O 3.31Å; F365-N387 WeakPolarHBondContact CE1-O 3.3Å; F365-V389 HydrophobicContact CE2-CG1 3.93Å; F365-V389 HydrophobicContact CZ-CG1 3.96Å
366C98.1Very high98.3Very high0 Ų050.2 Ų50.20%024%0.239CC..  trans-159.5149.6-175.9-1770000109.9D218 I364 D368 I372 N387D218-C366 HydrophobicContact CB-CB 3.87Å; D218-C366 PolarHBondContact OD2-SG 3.03Å; I364-C366 HydrophobicContact CG2-CB 4.13Å; C366-D368 PolarHBondContact SG-N 3.35Å; C366-D368 VanDerWaalsContact SG-N 3.39Å; C366-I372 HydrophobicContact CB-CG1 3.95Å; C366-N387 PolarHBondContact N-OD1 2.97Å; C366-N387 PolarHBondContact O-ND2 3.33Å; C366-N387 PolarHBondContact O-OD1 3.26Å
367S97.1Very high98.4Very high72 Ų7253.7 Ų53.750%0.50326%0.257SS..SBendtrans-96.9-27176.3-53.80000112.5D220 Q369D220-S367 PolarHBondContact O-OG 2.88Å; D220-S367 VanDerWaalsContact O-OG 3.07Å; S367-Q369 PolarHBondContact O-N 3.3Å; S367-Q369 PolarHBondContact O-NE2 3.49Å
368D97.8Very high98.4Very high83 Ų8351.5 Ų51.544%0.44425%0.247SC..  trans-76.9113.1-178.5-178.93.3000111.7C366 K370 A371 I372C366-D368 PolarHBondContact SG-N 3.35Å; C366-D368 VanDerWaalsContact SG-N 3.39Å; D368-K370 VanDerWaalsContact C-N 3.26Å; D368-K370 PolarHBondContact O-N 2.9Å; D368-K370 WeakPolarHBondContact OD1-CB 3.5Å; D368-K370 PolarHBondContact OD1-N 2.86Å; D368-A371 HydrophobicContact CB-CB 3.78Å; D368-A371 WeakPolarHBondContact O-CB 3.4Å; D368-A371 PolarHBondContact O-N 3.47Å; D368-I372 WeakPolarHBondContact O-CD1 3.34Å; D368-I372 VanDerWaalsContact O-CG1 3.31Å; D368-I372 WeakPolarHBondContact O-CG1 3.49Å; D368-I372 PolarHBondContact O-N 3.41Å
369Q97.9Very high98.4Very high136 Ų13647.7 Ų47.764%0.63623%0.232SC*.Hα-helixtrans-61.5-31.4179.3-61-56.6-55.600113.4S367 K373S367-Q369 PolarHBondContact O-N 3.3Å; S367-Q369 PolarHBondContact O-NE2 3.49Å; Q369-K373 VanDerWaalsContact O-CB 3.29Å; Q369-K373 WeakPolarHBondContact O-CB 3.25Å; Q369-K373 PolarHBondContact O-N 3.47Å
370K97.9Very high98.4Very high171 Ų17150.6 Ų50.674%0.74325%0.249SC*.Hα-helixtrans-71.4-42.5176.9-66.7-179.2-178.5175.40110.6D368 K373 R374D368-K370 VanDerWaalsContact C-N 3.26Å; D368-K370 PolarHBondContact O-N 2.9Å; D368-K370 WeakPolarHBondContact OD1-CB 3.5Å; D368-K370 PolarHBondContact OD1-N 2.86Å; K370-K373 PolarHBondContact O-N 2.92Å; K370-R374 WeakPolarHBondContact O-CB 3.44Å; K370-R374 PolarHBondContact O-N 3.24Å
371A97.3Very high98.4Very high16 Ų1651.3 Ų51.313%0.13226%0.255CS..Hα-helixtrans-64.9-44.9177.900000111.3M346 D368 K373 R374 M375M346-A371 HydrophobicContact CE-CB 3.56Å; M346-A371 HydrophobicContact SD-CB 3.64Å; M346-A371 VanDerWaalsContact SD-O 3.36Å; D368-A371 HydrophobicContact CB-CB 3.78Å; D368-A371 WeakPolarHBondContact O-CB 3.4Å; D368-A371 PolarHBondContact O-N 3.47Å; A371-K373 PolarHBondContact O-N 2.93Å; A371-R374 WeakPolarHBondContact O-CB 3.47Å; A371-R374 PolarHBondContact O-N 2.95Å; A371-M375 PolarHBondContact O-N 3.24Å
372I98.5Very high98.4Very high11 Ų1152.7 Ų52.76%0.05627%0.268CS..Hα-helixtrans-55-52.1172-68.6158.9000110.7I364 C366 D368 R374 M375 I376 V386I364-I372 HydrophobicContact CG2-CG1 4.44Å; C366-I372 HydrophobicContact CB-CG1 3.95Å; D368-I372 WeakPolarHBondContact O-CD1 3.34Å; D368-I372 VanDerWaalsContact O-CG1 3.31Å; D368-I372 WeakPolarHBondContact O-CG1 3.49Å; D368-I372 PolarHBondContact O-N 3.41Å; I372-R374 VanDerWaalsContact C-N 3.32Å; I372-R374 PolarHBondContact O-N 3.25Å; I372-M375 PolarHBondContact O-N 2.7Å; I372-I376 HydrophobicContact CG2-CD1 3.77Å; I372-I376 WeakPolarHBondContact O-CG1 3.46Å; I372-I376 PolarHBondContact O-N 2.97Å; I372-V386 HydrophobicContact CD1-CG1 3.72Å; I372-V386 HydrophobicContact CG1-CG1 3.93Å; I372-V386 HydrophobicContact CG2-CB 4.48Å; I372-V386 HydrophobicContact CG2-CG1 4Å; I372-V386 HydrophobicContact CG2-CG2 3.65Å
373K98.4Very high98.4Very high117 Ų11753.4 Ų53.451%0.50928%0.276SS..Hα-helixtrans-60.3-43.8-179.1-177.6179.3171.4-175.60111.4Q369 K370 A371 I376 E377Q369-K373 VanDerWaalsContact O-CB 3.29Å; Q369-K373 WeakPolarHBondContact O-CB 3.25Å; Q369-K373 PolarHBondContact O-N 3.47Å; K370-K373 PolarHBondContact O-N 2.92Å; A371-K373 PolarHBondContact O-N 2.93Å; K373-I376 PolarHBondContact O-N 3.32Å; K373-E377 WeakPolarHBondContact CE-OE1 3.4Å; K373-E377 WeakPolarHBondContact CE-OE2 3.4Å; K373-E377 HydrophobicContact CG-CG 4.28Å; K373-E377 IonicContact NZ-OE1 3.84Å; K373-E377 PolarHBondContact NZ-OE1 3.44Å; K373-E377 WeakPolarHBondContact O-CB 3.43Å; K373-E377 WeakPolarHBondContact O-CG 3.4Å; K373-E377 PolarHBondContact O-N 2.91Å
374R98.4Very high98.4Very high79 Ų7955.7 Ų55.730%0.29829%0.29SS..Hα-helixtrans-56.1-52.5176.8-174.3-170171.1-176.21.8111.2E347 I350 K370 A371 I372 I376 E377 E378E347-R374 IonicContact OE2-CZ 4Å; E347-R374 IonicContact OE2-NH1 2.68Å; E347-R374 IonicContact OE2-NH2 2.63Å; E347-R374 PolarHBondContact OE2-NH2 3.27Å; I350-R374 HydrophobicContact CD1-CG 4.18Å; K370-R374 WeakPolarHBondContact O-CB 3.44Å; K370-R374 PolarHBondContact O-N 3.24Å; A371-R374 WeakPolarHBondContact O-CB 3.47Å; A371-R374 PolarHBondContact O-N 2.95Å; I372-R374 VanDerWaalsContact C-N 3.32Å; I372-R374 PolarHBondContact O-N 3.25Å; R374-I376 VanDerWaalsContact C-N 3.3Å; R374-I376 PolarHBondContact O-N 2.94Å; R374-E377 PolarHBondContact O-N 2.83Å; R374-E377 VanDerWaalsContact O-N 3.17Å; R374-E378 VanDerWaalsContact CG-CD 3.4Å; R374-E378 HydrophobicContact CG-CG 4.23Å; R374-E378 WeakPolarHBondContact CG-OE1 3.47Å; R374-E378 IonicContact CZ-OE2 2.76Å; R374-E378 IonicContact NE-OE1 2.57Å; R374-E378 PolarHBondContact NE-OE1 3.16Å; R374-E378 IonicContact NE-OE2 3.7Å; R374-E378 PolarHBondContact NE-OE2 3.38Å; R374-E378 IonicContact NH2-OE2 2.94Å; R374-E378 VanDerWaalsContact O-CB 3.3Å; R374-E378 WeakPolarHBondContact O-CB 3.5Å; R374-E378 WeakPolarHBondContact O-CG 3.48Å; R374-E378 PolarHBondContact O-N 3.35Å
375M98.6Very high98.4Very high0 Ų056.4 Ų56.40%029%0.294CS..Hα-helixtrans-63-36.8-179.4-177.5172.1-69.200112.3Y216 M346 A349 I350 L362 I364 A371 I372 T379Y216-M375 HydrophobicContact CD1-CE 3.65Å; Y216-M375 HydrophobicContact CD1-SD 4.33Å; Y216-M375 HydrophobicContact CD2-CE 4.18Å; Y216-M375 HydrophobicContact CE1-CE 4.17Å; Y216-M375 HydrophobicContact CG-CE 3.64Å; Y216-M375 HydrophobicContact CG-SD 4.33Å; M346-M375 HydrophobicContact CE-CE 4.11Å; M346-M375 HydrophobicContact CG-CE 3.76Å; M346-M375 HydrophobicContact SD-CB 4.46Å; M346-M375 HydrophobicContact SD-CE 4.3Å; A349-M375 HydrophobicContact CB-CE 4.31Å; I350-M375 HydrophobicContact CD1-CB 4.3Å; I350-M375 HydrophobicContact CG1-CB 4.36Å; I350-M375 HydrophobicContact CG1-CE 4.13Å; I350-M375 HydrophobicContact CG1-CG 4.22Å; L362-M375 HydrophobicContact CD2-CG 4.25Å; I364-M375 HydrophobicContact CB-SD 4.31Å; I364-M375 HydrophobicContact CD1-CB 3.97Å; I364-M375 HydrophobicContact CD1-CG 3.74Å; I364-M375 HydrophobicContact CD1-SD 3.73Å; I364-M375 HydrophobicContact CG1-CG 4.28Å; I364-M375 HydrophobicContact CG1-SD 3.6Å; I364-M375 VanDerWaalsContact CG1-SD 3.6Å; I364-M375 HydrophobicContact CG2-SD 3.93Å; A371-M375 PolarHBondContact O-N 3.24Å; I372-M375 PolarHBondContact O-N 2.7Å; M375-T379 HydrophobicContact CG-CG2 4.32Å; M375-T379 WeakPolarHBondContact O-CB 3.4Å; M375-T379 WeakPolarHBondContact O-CG2 3.38Å; M375-T379 PolarHBondContact O-N 2.91Å; M375-T379 PolarHBondContact O-OG1 3.5Å
376I98.7Very high98.4Very high75 Ų7558.8 Ų58.839%0.38531%0.309SS..Hα-helixtrans-65.5-41.9174.4-67.3170.1000111.7I364 I372 K373 R374 V384 V386I364-I376 HydrophobicContact CD1-CG1 3.87Å; I372-I376 HydrophobicContact CG2-CD1 3.77Å; I372-I376 WeakPolarHBondContact O-CG1 3.46Å; I372-I376 PolarHBondContact O-N 2.97Å; K373-I376 PolarHBondContact O-N 3.32Å; R374-I376 VanDerWaalsContact C-N 3.3Å; R374-I376 PolarHBondContact O-N 2.94Å; I376-V384 HydrophobicContact CD1-CG1 4.42Å; I376-V384 HydrophobicContact CG1-CG1 4.13Å; I376-V386 HydrophobicContact CD1-CG2 4.21Å
377E98.7Very high98.4Very high131 Ų13161.2 Ų61.261%0.61232%0.322SS*.Hα-helixtrans-76-30.6-178-72.7179.8155.700113.2K373 R374K373-E377 WeakPolarHBondContact CE-OE1 3.4Å; K373-E377 WeakPolarHBondContact CE-OE2 3.4Å; K373-E377 HydrophobicContact CG-CG 4.28Å; K373-E377 IonicContact NZ-OE1 3.84Å; K373-E377 PolarHBondContact NZ-OE1 3.44Å; K373-E377 WeakPolarHBondContact O-CB 3.43Å; K373-E377 WeakPolarHBondContact O-CG 3.4Å; K373-E377 PolarHBondContact O-N 2.91Å; R374-E377 PolarHBondContact O-N 2.83Å; R374-E377 VanDerWaalsContact O-N 3.17Å
378E98.8Very high98.5Very high88 Ų8859.6 Ų59.641%0.41131%0.308SS..Hα-helixtrans-97.6-1.7-174.2-65.9178.8-165.600113.5I350 N354 R374I350-E378 HydrophobicContact CD1-CB 4.35Å; I350-E378 HydrophobicContact CG2-CB 3.85Å; N354-E378 PolarHBondContact ND2-O 2.89Å; N354-E378 PolarHBondContact OD1-O 3.42Å; R374-E378 VanDerWaalsContact CG-CD 3.4Å; R374-E378 HydrophobicContact CG-CG 4.23Å; R374-E378 WeakPolarHBondContact CG-OE1 3.47Å; R374-E378 IonicContact CZ-OE2 2.76Å; R374-E378 IonicContact NE-OE1 2.57Å; R374-E378 PolarHBondContact NE-OE1 3.16Å; R374-E378 IonicContact NE-OE2 3.7Å; R374-E378 PolarHBondContact NE-OE2 3.38Å; R374-E378 IonicContact NH2-OE2 2.94Å; R374-E378 VanDerWaalsContact O-CB 3.3Å; R374-E378 WeakPolarHBondContact O-CB 3.5Å; R374-E378 WeakPolarHBondContact O-CG 3.48Å; R374-E378 PolarHBondContact O-N 3.35Å
379T98.8Very high98.5Very high10 Ų1055.7 Ų55.76%0.06129%0.287CS..  trans-123.3173175.266.60000112.1I350 I353 L362 M375I350-T379 HydrophobicContact CB-CG2 4.47Å; I350-T379 HydrophobicContact CG1-CG2 4.29Å; I350-T379 HydrophobicContact CG2-CG2 4.09Å; I353-T379 HydrophobicContact CB-CG2 4.42Å; I353-T379 HydrophobicContact CG2-CG2 4.09Å; L362-T379 VanDerWaalsContact CD2-OG1 3.22Å; L362-T379 WeakPolarHBondContact CD2-OG1 3.36Å; M375-T379 HydrophobicContact CG-CG2 4.32Å; M375-T379 WeakPolarHBondContact O-CB 3.4Å; M375-T379 WeakPolarHBondContact O-CG2 3.38Å; M375-T379 PolarHBondContact O-N 2.91Å; M375-T379 PolarHBondContact O-OG1 3.5Å
380T98.7Very high98.5Very high64 Ų6449.9 Ų49.939%0.39326%0.26SS..  trans-139.7125.4174.4-57.90000110.8K358 V403K358-T380 HydrophobicContact CD-CG2 3.74Å; K358-T380 HydrophobicContact CG-CG2 4.35Å; T380-V403 HydrophobicContact CG2-CG1 3.82Å; T380-V403 HydrophobicContact CG2-CG2 4.37Å
381S98.8Very high98.5Very high21 Ų2144.8 Ų44.815%0.14724%0.24CC..  trans-140.8171.1174.461.50000110.5P359 G383 V384P359-S381 VanDerWaalsContact O-CA 3.3Å; P359-S381 WeakPolarHBondContact O-CA 3.43Å; P359-S381 WeakPolarHBondContact O-CB 3.12Å; S381-G383 PolarHBondContact OG-O 3.49Å; S381-V384 WeakPolarHBondContact OG-CG2 3.47Å
382G98.6Very high98.6Very high28 Ų2845.1 Ų45.129%0.28924%0.238SC..SBendtrans-64.5-49.4171.900000112.4P359 L360 G401P359-G382 PolarHBondContact O-N 2.91Å; L360-G382 CarbonylContact O-C 3.53Å; L360-G382 WeakPolarHBondContact O-CA 3.4Å; L360-G382 PolarHBondContact O-N 2.91Å; L360-G382 VanDerWaalsContact O-N 3.17Å; G382-G401 CarbonylContact C-O 3.51Å; G382-G401 WeakPolarHBondContact CA-O 3.45Å
383G98.6Very high98.5Very high16 Ų1646.1 Ų46.117%0.16524%0.242CC..EExtended strand (participates in β ladder)trans-137.8163174.100000113L360 A361 L362 S381L360-G383 PolarHBondContact O-N 3.34Å; A361-G383 CarbonylContact C-O 3.42Å; A361-G383 WeakPolarHBondContact CA-O 3.46Å; L362-G383 PolarHBondContact N-O 3.23Å; S381-G383 PolarHBondContact OG-O 3.49Å
384V98.9Very high98.3Very high48 Ų4844.5 Ų44.529%0.29124%0.242SC..EExtended strand (participates in β ladder)trans-128140.2174.8-177.40000109.3L362 I364 I376 S381 V386L362-V384 HydrophobicContact CB-CG2 4.29Å; L362-V384 HydrophobicContact CD2-CG2 4.33Å; L362-V384 VanDerWaalsContact O-CA 3.32Å; L362-V384 WeakPolarHBondContact O-CA 3.19Å; I364-V384 HydrophobicContact CD1-CG1 3.89Å; I364-V384 HydrophobicContact CG1-CG1 4.27Å; I376-V384 HydrophobicContact CD1-CG1 4.42Å; I376-V384 HydrophobicContact CG1-CG1 4.13Å; S381-V384 WeakPolarHBondContact OG-CG2 3.47Å; V384-V386 HydrophobicContact CG1-CG2 4.28Å
385T98.9Very high98.2Very high15 Ų1543.5 Ų43.59%0.09224%0.244CC..EExtended strand (participates in β ladder)trans-128.5126.6164.7-530000109.6L362 Y363 I364 D388 M391 H392L362-T385 PolarHBondContact O-N 2.83Å; Y363-T385 WeakPolarHBondContact CA-O 3.43Å; I364-T385 PolarHBondContact N-O 2.92Å; I364-T385 VanDerWaalsContact N-O 3.12Å; T385-D388 WeakPolarHBondContact CB-O 3.31Å; T385-D388 HydrophobicContact CG2-CB 3.75Å; T385-D388 VanDerWaalsContact CG2-O 3.22Å; T385-D388 WeakPolarHBondContact CG2-O 3.43Å; T385-M391 HydrophobicContact CG2-CB 4.49Å; T385-H392 WeakPolarHBondContact OG1-CB 3.47Å; T385-H392 PolarHBondContact OG1-ND1 2.75Å
386V98.8Very high97.9Very high53 Ų5344.7 Ų44.732%0.32125%0.253SS..EExtended strand (participates in β ladder)trans-98.2129.8178.4-178.60000108.5I364 I372 I376 V384 D388I364-V386 HydrophobicContact CB-CG2 4.43Å; I364-V386 HydrophobicContact CD1-CG2 4.47Å; I364-V386 CarbonylContact O-C 3.48Å; I364-V386 WeakPolarHBondContact O-CA 3.29Å; I372-V386 HydrophobicContact CD1-CG1 3.72Å; I372-V386 HydrophobicContact CG1-CG1 3.93Å; I372-V386 HydrophobicContact CG2-CB 4.48Å; I372-V386 HydrophobicContact CG2-CG1 4Å; I372-V386 HydrophobicContact CG2-CG2 3.65Å; I376-V386 HydrophobicContact CD1-CG2 4.21Å; V384-V386 HydrophobicContact CG1-CG2 4.28Å; V386-D388 PolarHBondContact O-N 3.32Å; V386-D388 VanDerWaalsContact O-N 3.16Å
387N98.7Very high97.6Very high51 Ų5145.7 Ų45.727%0.27327%0.266SS..SBendtrans59.515.6-178.8-64.3-42.6000114.8R229 I364 F365 C366R229-N387 WeakPolarHBondContact CD-O 3.08Å; R229-N387 PolarHBondContact NH1-O 3.5Å; I364-N387 PolarHBondContact O-N 3.4Å; F365-N387 VanDerWaalsContact CA-OD1 3.31Å; F365-N387 WeakPolarHBondContact CA-OD1 3.2Å; F365-N387 HydrophobicContact CD1-CB 4.48Å; F365-N387 VanDerWaalsContact CE1-O 3.31Å; F365-N387 WeakPolarHBondContact CE1-O 3.3Å; C366-N387 PolarHBondContact N-OD1 2.97Å; C366-N387 PolarHBondContact O-ND2 3.33Å; C366-N387 PolarHBondContact O-OD1 3.26Å
388D98.8Very high97.6Very high39 Ų3943.2 Ų43.221%0.20926%0.257CS..SBendtrans-153.5175.7171-145.4-25.2000110.4R229 Y363 T385 V386 M391R229-D388 WeakPolarHBondContact CD-OD1 3.42Å; R229-D388 IonicContact NE-OD1 2.98Å; R229-D388 IonicContact NE-OD2 2.88Å; Y363-D388 WeakPolarHBondContact CD1-O 3.39Å; T385-D388 WeakPolarHBondContact CB-O 3.31Å; T385-D388 HydrophobicContact CG2-CB 3.75Å; T385-D388 VanDerWaalsContact CG2-O 3.22Å; T385-D388 WeakPolarHBondContact CG2-O 3.43Å; V386-D388 PolarHBondContact O-N 3.32Å; V386-D388 VanDerWaalsContact O-N 3.16Å; D388-M391 HydrophobicContact CB-CG 4.26Å
389V98.8Very high97.6Very high0 Ų042.2 Ų42.20%026%0.258CS..SBendtrans-128.1151.7178-58.80000110.8R229 V230 W232 P245 Y363 F365 M391R229-V389 WeakPolarHBondContact O-CG2 3.28Å; V230-V389 HydrophobicContact CG2-CG1 4.23Å; W232-V389 HydrophobicContact CE3-CG2 3.89Å; W232-V389 HydrophobicContact CZ3-CG2 4.03Å; P245-V389 HydrophobicContact CG-CB 4.11Å; P245-V389 HydrophobicContact CG-CG1 3.76Å; P245-V389 HydrophobicContact CG-CG2 4.48Å; Y363-V389 HydrophobicContact CD1-CB 4.13Å; Y363-V389 HydrophobicContact CD1-CG1 3.94Å; Y363-V389 HydrophobicContact CD2-CB 4.4Å; Y363-V389 HydrophobicContact CD2-CG1 3.95Å; Y363-V389 HydrophobicContact CE1-CB 3.99Å; Y363-V389 HydrophobicContact CE1-CG1 4.3Å; Y363-V389 HydrophobicContact CE2-CB 4.23Å; Y363-V389 HydrophobicContact CE2-CG1 4.28Å; Y363-V389 HydrophobicContact CG-CB 4.33Å; Y363-V389 HydrophobicContact CG-CG1 3.75Å; F365-V389 HydrophobicContact CE2-CG1 3.93Å; F365-V389 HydrophobicContact CZ-CG1 3.96Å; V389-M391 PolarHBondContact O-N 2.87Å
390M97.8Very high97.6Very high15 Ų1542.6 Ų42.67%0.07426%0.259CS..SBendtrans59.6-23179.4-48.4-157.6-51.100117.5W232 V236 T241 I243 Y363 H392 Y393W232-M390 HydrophobicContact CE3-CE 4.24Å; W232-M390 HydrophobicContact CH2-CB 4.24Å; W232-M390 HydrophobicContact CH2-CE 3.07Å; W232-M390 HydrophobicContact CZ2-CE 3.53Å; W232-M390 HydrophobicContact CZ3-CB 4.13Å; W232-M390 HydrophobicContact CZ3-CE 3.49Å; W232-M390 VanDerWaalsContact CZ3-CE 3.49Å; W232-M390 HydrophobicContact CZ3-CG 4.29Å; V236-M390 HydrophobicContact CG1-CE 3.68Å; V236-M390 HydrophobicContact CG1-SD 4.09Å; T241-M390 HydrophobicContact CG2-SD 4.09Å; I243-M390 HydrophobicContact CD1-CB 3.98Å; I243-M390 HydrophobicContact CD1-CG 4.24Å; I243-M390 HydrophobicContact CG1-CB 4.48Å; I243-M390 HydrophobicContact CG1-CG 4.18Å; I243-M390 HydrophobicContact CG1-SD 4.33Å; Y363-M390 WeakPolarHBondContact OH-CA 3.48Å; Y363-M390 PolarHBondContact OH-N 3.02Å; M390-H392 VanDerWaalsContact C-N 3.26Å; M390-H392 PolarHBondContact O-N 3.04Å; M390-H392 VanDerWaalsContact O-N 3.1Å; M390-Y393 VanDerWaalsContact O-CB 3.23Å; M390-Y393 WeakPolarHBondContact O-CB 3.44Å; M390-Y393 PolarHBondContact O-N 3.2Å
391M97.7Very high97.6Very high64 Ų6440 Ų4032%0.31524%0.244SC..G310 helixtrans-59.1-30.2-167.9-71.8-58.8101.900114.7W232 T385 D388 V389 Y393 T394W232-M391 HydrophobicContact CH2-CE 3.12Å; W232-M391 HydrophobicContact CZ2-CE 4.16Å; W232-M391 HydrophobicContact CZ3-CE 3.47Å; W232-M391 VanDerWaalsContact CZ3-CE 3.47Å; T385-M391 HydrophobicContact CG2-CB 4.49Å; D388-M391 HydrophobicContact CB-CG 4.26Å; V389-M391 PolarHBondContact O-N 2.87Å; M391-Y393 PolarHBondContact O-N 2.95Å; M391-Y393 VanDerWaalsContact O-N 3.14Å; M391-T394 WeakPolarHBondContact O-CB 3.35Å; M391-T394 PolarHBondContact O-N 3.2Å; M391-T394 PolarHBondContact O-OG1 2.92Å
392H98.2Very high97.5Very high22 Ų2239.5 Ų39.510%0.10224%0.242CC..G310 helixtrans-57.8-27.4176.368.1-82.9000113T385 M390 T394 V395 L398T385-H392 WeakPolarHBondContact OG1-CB 3.47Å; T385-H392 PolarHBondContact OG1-ND1 2.75Å; M390-H392 VanDerWaalsContact C-N 3.26Å; M390-H392 PolarHBondContact O-N 3.04Å; M390-H392 VanDerWaalsContact O-N 3.1Å; H392-T394 PolarHBondContact O-N 3.47Å; H392-V395 PolarHBondContact O-N 3.09Å; H392-L398 HydrophobicContact CB-CD1 4.21Å
393Y96.9Very high97.5Very high33 Ų3340.4 Ų40.413%0.12924%0.242CC..G310 helixtrans-63.3-27.2174.4178-91.9000113I121 I243 M390 M391 V395 F400 H412I121-Y393 WeakPolarHBondContact CD1-OH 3.31Å; I243-Y393 HydrophobicContact CD1-CD2 4.45Å; I243-Y393 HydrophobicContact CD1-CG 4.29Å; M390-Y393 VanDerWaalsContact O-CB 3.23Å; M390-Y393 WeakPolarHBondContact O-CB 3.44Å; M390-Y393 PolarHBondContact O-N 3.2Å; M391-Y393 PolarHBondContact O-N 2.95Å; M391-Y393 VanDerWaalsContact O-N 3.14Å; Y393-V395 VanDerWaalsContact C-N 3.26Å; Y393-V395 PolarHBondContact O-N 2.95Å; Y393-F400 AromaticContact CD2-CD1 3.84Å; Y393-F400 HydrophobicContact CD2-CD1 3.84Å; Y393-F400 AromaticContact CD2-CD2 3.92Å; Y393-F400 HydrophobicContact CD2-CD2 3.92Å; Y393-F400 AromaticContact CD2-CE1 3.75Å; Y393-F400 HydrophobicContact CD2-CE1 3.75Å; Y393-F400 AromaticContact CD2-CE2 3.8Å; Y393-F400 HydrophobicContact CD2-CE2 3.8Å; Y393-F400 AromaticContact CD2-CG 3.96Å; Y393-F400 HydrophobicContact CD2-CG 3.96Å; Y393-F400 AromaticContact CD2-CZ 3.72Å; Y393-F400 HydrophobicContact CD2-CZ 3.72Å; Y393-F400 AromaticContact CE2-CD1 3.88Å; Y393-F400 HydrophobicContact CE2-CD1 3.88Å; Y393-F400 AromaticContact CE2-CE1 3.74Å; Y393-F400 HydrophobicContact CE2-CE1 3.74Å; Y393-F400 HydrophobicContact CE2-CG 4.42Å; Y393-F400 HydrophobicContact CE2-CZ 4.12Å; Y393-H412 AromaticContact CD2-CE1 3.45Å; Y393-H412 VanDerWaalsContact CD2-CE1 3.45Å; Y393-H412 WeakPolarHBondContact CD2-CE1 3.3Å; Y393-H412 AromaticContact CD2-NE2 3.96Å; Y393-H412 AromaticContact CE2-CE1 3.33Å; Y393-H412 WeakPolarHBondContact CE2-CE1 3.31Å; Y393-H412 AromaticContact CE2-NE2 3.39Å; Y393-H412 WeakPolarHBondContact CE2-NE2 3.25Å; Y393-H412 AromaticContact CG-CE1 3.97Å; Y393-H412 AromaticContact CZ-CE1 3.74Å; Y393-H412 AromaticContact CZ-NE2 3.78Å; Y393-H412 PolarHBondContact O-CE1 2.83Å; Y393-H412 VanDerWaalsContact O-CE1 3.22Å; Y393-H412 PolarHBondContact O-ND1 3.46Å
394T94.3Very high97.5Very high83 Ų8342.1 Ų42.151%0.50926%0.26SS..G310 helixtrans-81.2-6.5-174.869.60000113.3M391 H392M391-T394 WeakPolarHBondContact O-CB 3.35Å; M391-T394 PolarHBondContact O-N 3.2Å; M391-T394 PolarHBondContact O-OG1 2.92Å; H392-T394 PolarHBondContact O-N 3.47Å
395V95.7Very high97.4Very high58 Ų5842.6 Ų42.635%0.35226%0.259SS..  trans-100.591.2-174.6-174.20000109.5H392 Y393 S397 L398H392-V395 PolarHBondContact O-N 3.09Å; Y393-V395 VanDerWaalsContact C-N 3.26Å; Y393-V395 PolarHBondContact O-N 2.95Å; V395-S397 WeakPolarHBondContact CG1-OG 3.34Å; V395-S397 PolarHBondContact O-N 3.43Å; V395-L398 HydrophobicContact CB-CB 4.47Å; V395-L398 HydrophobicContact CB-CD1 3.92Å; V395-L398 HydrophobicContact CB-CG 4.02Å; V395-L398 HydrophobicContact CG1-CD1 4.17Å; V395-L398 HydrophobicContact CG1-CG 3.86Å; V395-L398 HydrophobicContact CG2-CD1 4.4Å; V395-L398 WeakPolarHBondContact O-CB 3.12Å; V395-L398 PolarHBondContact O-N 2.55Å
396S92.6Very high97.4Very high25 Ų2541.9 Ų41.918%0.17526%0.255CS..THydrogen-bonded Turntrans-58.3-10.4-177.6-60.10000116.2E68E68-S396 WeakPolarHBondContact OE1-CB 3.36Å; E68-S396 PolarHBondContact OE1-OG 2.84Å
397S93.5Very high97.4Very high95 Ų9539.5 Ų39.566%0.66424%0.241SC*.THydrogen-bonded Turntrans-86.6-17.1172.958.50000113.5V395 H415V395-S397 WeakPolarHBondContact CG1-OG 3.34Å; V395-S397 PolarHBondContact O-N 3.43Å; S397-H415 PolarHBondContact O-NE2 2.98Å
398L97.8Very high97.4Very high80 Ų8040.8 Ų40.842%0.41925%0.246SC..SBendtrans-81.2138.5169.8-65.2179.4000109.5H392 V395 F400H392-L398 HydrophobicContact CB-CD1 4.21Å; V395-L398 HydrophobicContact CB-CB 4.47Å; V395-L398 HydrophobicContact CB-CD1 3.92Å; V395-L398 HydrophobicContact CB-CG 4.02Å; V395-L398 HydrophobicContact CG1-CD1 4.17Å; V395-L398 HydrophobicContact CG1-CG 3.86Å; V395-L398 HydrophobicContact CG2-CD1 4.4Å; V395-L398 WeakPolarHBondContact O-CB 3.12Å; V395-L398 PolarHBondContact O-N 2.55Å; L398-F400 PolarHBondContact O-N 3.09Å
399P98.1Very high97.4Very high67 Ų6740 Ų4044%0.43525%0.248SC..PPolyproline II helixtrans-69.7124.9167.730.4-32.4000108.5H410P399-H410 HydrophobicContact CB-CB 3.96Å; P399-H410 WeakPolarHBondContact CB-CD2 3.27Å
400F98.8Very high97.4Very high18 Ų1843.6 Ų43.68%0.07926%0.264CS..BIsolated β-bridgetrans-100.3120.9171.4179.9-109.9000108.8I243 L360 Y393 L398 H410 Y411 H412I243-F400 HydrophobicContact CG2-CE2 3.9Å; I243-F400 HydrophobicContact CG2-CZ 4.07Å; L360-F400 HydrophobicContact CD2-CE2 4.47Å; L360-F400 HydrophobicContact CD2-CZ 4.02Å; Y393-F400 AromaticContact CD2-CD1 3.84Å; Y393-F400 HydrophobicContact CD2-CD1 3.84Å; Y393-F400 AromaticContact CD2-CD2 3.92Å; Y393-F400 HydrophobicContact CD2-CD2 3.92Å; Y393-F400 AromaticContact CD2-CE1 3.75Å; Y393-F400 HydrophobicContact CD2-CE1 3.75Å; Y393-F400 AromaticContact CD2-CE2 3.8Å; Y393-F400 HydrophobicContact CD2-CE2 3.8Å; Y393-F400 AromaticContact CD2-CG 3.96Å; Y393-F400 HydrophobicContact CD2-CG 3.96Å; Y393-F400 AromaticContact CD2-CZ 3.72Å; Y393-F400 HydrophobicContact CD2-CZ 3.72Å; Y393-F400 AromaticContact CE2-CD1 3.88Å; Y393-F400 HydrophobicContact CE2-CD1 3.88Å; Y393-F400 AromaticContact CE2-CE1 3.74Å; Y393-F400 HydrophobicContact CE2-CE1 3.74Å; Y393-F400 HydrophobicContact CE2-CG 4.42Å; Y393-F400 HydrophobicContact CE2-CZ 4.12Å; L398-F400 PolarHBondContact O-N 3.09Å; F400-H410 CarbonylContact O-C 3.49Å; F400-H410 WeakPolarHBondContact O-CA 3.5Å; F400-H410 WeakPolarHBondContact O-CB 3.22Å; F400-Y411 HydrophobicContact CD1-CD1 4.09Å; F400-Y411 AromaticContact CD1-CE1 3.29Å; F400-Y411 HydrophobicContact CD1-CE1 3.29Å; F400-Y411 AromaticContact CD1-CZ 3.76Å; F400-Y411 AromaticContact CE1-CE1 3.83Å; F400-Y411 HydrophobicContact CE1-CE1 3.83Å; F400-Y411 HydrophobicContact CG-CE1 4.38Å; F400-Y411 PolarHBondContact N-O 2.94Å; F400-Y411 VanDerWaalsContact O-CD1 3.31Å; F400-Y411 WeakPolarHBondContact O-CD1 3.3Å; F400-Y411 PolarHBondContact O-N 2.94Å; F400-H412 AromaticContact CD1-CE1 3.94Å; F400-H412 AromaticContact CD1-NE2 3.7Å; F400-H412 AromaticContact CG-CE1 3.88Å
401G98.5Very high97.4Very high8 Ų842.9 Ų42.98%0.08226%0.261CS..  trans-179.7156.8-176.100000112.4E208 G382E208-G401 WeakPolarHBondContact OE1-CA 3.14Å; E208-G401 WeakPolarHBondContact OE2-CA 3.23Å; G382-G401 CarbonylContact C-O 3.51Å; G382-G401 WeakPolarHBondContact CA-O 3.45Å
402G98.5Very high97.5Very high11 Ų1140 Ų4011%0.11325%0.247CC..  trans-87.3175.9176.100000114.4G407G402-G407 CarbonylContact C-O 3.59Å
403V98.6Very high97.5Very high47 Ų4739.1 Ų39.129%0.28524%0.243SC..  trans-142.1129.2174.958.90000110.5K358 T380 Q405 S406 G407K358-V403 HydrophobicContact CB-CG1 4.17Å; K358-V403 VanDerWaalsContact CB-O 3.31Å; K358-V403 WeakPolarHBondContact CB-O 3.27Å; K358-V403 HydrophobicContact CD-CG1 4.26Å; K358-V403 HydrophobicContact CD-CG2 4.33Å; T380-V403 HydrophobicContact CG2-CG1 3.82Å; T380-V403 HydrophobicContact CG2-CG2 4.37Å; V403-Q405 PolarHBondContact O-N 3.04Å; V403-S406 PolarHBondContact N-OG 2.94Å; V403-S406 PolarHBondContact O-OG 2.73Å; V403-G407 CarbonylContact C-O 3.55Å; V403-G407 WeakPolarHBondContact CA-O 3.42Å; V403-G407 PolarHBondContact N-O 3.19Å
404G98.2Very high97.5Very high53 Ų5340.8 Ų40.855%0.54625%0.251SS..BIsolated β-bridgetrans71.5-126.9-175.700000110.9S406 G407G404-S406 PolarHBondContact O-N 3.25Å; G404-G407 PolarHBondContact N-O 2.87Å; G404-G407 PolarHBondContact O-N 2.82Å; G404-G407 VanDerWaalsContact O-N 3.1Å
405Q97.2Very high97.7Very high57 Ų5739 Ų3927%0.26624%0.237SC..THydrogen-bonded Turntrans-67.8-22.8-176.5-171.267.19.500113.3S188 L209 E357 V403 G407S188-Q405 VanDerWaalsContact CB-NE2 3.3Å; S188-Q405 PolarHBondContact OG-NE2 2.84Å; S188-Q405 VanDerWaalsContact OG-NE2 3.13Å; L209-Q405 WeakPolarHBondContact CD1-O 3.38Å; E357-Q405 HydrophobicContact CB-CB 3.98Å; E357-Q405 HydrophobicContact CB-CG 4.27Å; E357-Q405 HydrophobicContact CG-CB 4.07Å; E357-Q405 HydrophobicContact CG-CG 4.11Å; E357-Q405 WeakPolarHBondContact OE2-CB 3.37Å; V403-Q405 PolarHBondContact O-N 3.04Å; Q405-G407 VanDerWaalsContact C-N 3.32Å
406S98.4Very high97.9Very high0 Ų036.2 Ų36.20%022%0.22CC..THydrogen-bonded Turntrans-80.4-8.6173.456.30000114.2L209 G210 K358 P359 V403 G404L209-S406 CarbonylContact C-O 3.49Å; L209-S406 VanDerWaalsContact CA-O 3.32Å; L209-S406 WeakPolarHBondContact CA-O 3.32Å; L209-S406 VanDerWaalsContact CB-O 3.31Å; L209-S406 WeakPolarHBondContact CB-O 3.34Å; L209-S406 PolarHBondContact N-O 2.85Å; G210-S406 VanDerWaalsContact O-CA 3.31Å; G210-S406 WeakPolarHBondContact O-CA 3.49Å; G210-S406 WeakPolarHBondContact O-CB 3.36Å; K358-S406 VanDerWaalsContact O-CB 3.22Å; K358-S406 WeakPolarHBondContact O-CB 3.38Å; K358-S406 PolarHBondContact O-OG 3.47Å; P359-S406 PolarHBondContact O-OG 3.32Å; V403-S406 PolarHBondContact N-OG 2.94Å; V403-S406 PolarHBondContact O-OG 2.73Å; G404-S406 PolarHBondContact O-N 3.25Å
407G98.7Very high98.2Very high3 Ų335.1 Ų35.13%0.03121%0.212CC..EExtended strand (participates in β ladder)trans147-178.4173.100000116.4L207 G402 V403 G404 Q405L207-G407 CarbonylContact O-C 3.5Å; L207-G407 WeakPolarHBondContact O-CA 3.38Å; G402-G407 CarbonylContact C-O 3.59Å; V403-G407 CarbonylContact C-O 3.55Å; V403-G407 WeakPolarHBondContact CA-O 3.42Å; V403-G407 PolarHBondContact N-O 3.19Å; G404-G407 PolarHBondContact N-O 2.87Å; G404-G407 PolarHBondContact O-N 2.82Å; G404-G407 VanDerWaalsContact O-N 3.1Å; Q405-G407 VanDerWaalsContact C-N 3.32Å
408M98.8Very high98.4Very high78 Ų7832.6 Ų32.638%0.38419%0.191SC..EExtended strand (participates in β ladder)trans-151.1149.1169.967.3173.66900111.1M195 V205 T206 L207M195-M408 HydrophobicContact CE-CE 3.7Å; M195-M408 HydrophobicContact CE-SD 4.09Å; M195-M408 HydrophobicContact SD-CE 3.72Å; M195-M408 HydrophobicContact SD-SD 4.38Å; V205-M408 HydrophobicContact CG2-CG 4.38Å; V205-M408 HydrophobicContact CG2-SD 3.84Å; T206-M408 WeakPolarHBondContact CA-O 3.22Å; L207-M408 HydrophobicContact CB-CG 4.24Å; L207-M408 HydrophobicContact CD1-CE 4.47Å; L207-M408 HydrophobicContact CD1-CG 4.18Å; L207-M408 HydrophobicContact CD1-SD 4.48Å; L207-M408 HydrophobicContact CG-CG 4.16Å; L207-M408 PolarHBondContact N-O 2.88Å; L207-M408 PolarHBondContact O-N 2.83Å
409G98.4Very high98.5Very high24 Ų2431.1 Ų31.125%0.24718%0.182CC..  trans80.3178.2-166.700000111
410H98.5Very high98.5Very high74 Ų7428 Ų2834%0.34316%0.162SC..  trans-160.7164.5179.151.8-80.5000109.4P399 F400 Q419P399-H410 HydrophobicContact CB-CB 3.96Å; P399-H410 WeakPolarHBondContact CB-CD2 3.27Å; F400-H410 CarbonylContact O-C 3.49Å; F400-H410 WeakPolarHBondContact O-CA 3.5Å; F400-H410 WeakPolarHBondContact O-CB 3.22Å; H410-Q419 WeakPolarHBondContact O-CG 3.38Å
411Y98.7Very high98.5Very high1 Ų127.6 Ų27.60%0.00416%0.161CC..BIsolated β-bridgetrans-149-160.8179.777.1-63.1000111.3I121 P122 F183 E208 F400 T416I121-Y411 HydrophobicContact CB-CE2 4.11Å; I121-Y411 HydrophobicContact CG2-CD2 3.82Å; I121-Y411 HydrophobicContact CG2-CE2 3.55Å; P122-Y411 HydrophobicContact CG-CD2 4.36Å; P122-Y411 HydrophobicContact CG-CE2 4.16Å; F183-Y411 HydrophobicContact CE2-CD1 4.3Å; F183-Y411 HydrophobicContact CE2-CD2 4.34Å; F183-Y411 AromaticContact CE2-CG 3.97Å; F183-Y411 HydrophobicContact CE2-CG 3.97Å; F183-Y411 AromaticContact CZ-CD1 3.68Å; F183-Y411 HydrophobicContact CZ-CD1 3.68Å; F183-Y411 AromaticContact CZ-CD2 3.91Å; F183-Y411 HydrophobicContact CZ-CD2 3.91Å; F183-Y411 AromaticContact CZ-CE1 3.98Å; F183-Y411 HydrophobicContact CZ-CE1 3.98Å; F183-Y411 HydrophobicContact CZ-CE2 4.24Å; F183-Y411 AromaticContact CZ-CG 3.66Å; F183-Y411 HydrophobicContact CZ-CG 3.66Å; E208-Y411 HydrophobicContact CG-CD1 4.13Å; E208-Y411 HydrophobicContact CG-CE1 3.74Å; E208-Y411 WeakPolarHBondContact OE1-CD1 3.13Å; F400-Y411 HydrophobicContact CD1-CD1 4.09Å; F400-Y411 AromaticContact CD1-CE1 3.29Å; F400-Y411 HydrophobicContact CD1-CE1 3.29Å; F400-Y411 AromaticContact CD1-CZ 3.76Å; F400-Y411 AromaticContact CE1-CE1 3.83Å; F400-Y411 HydrophobicContact CE1-CE1 3.83Å; F400-Y411 HydrophobicContact CG-CE1 4.38Å; F400-Y411 PolarHBondContact N-O 2.94Å; F400-Y411 VanDerWaalsContact O-CD1 3.31Å; F400-Y411 WeakPolarHBondContact O-CD1 3.3Å; F400-Y411 PolarHBondContact O-N 2.94Å; Y411-T416 WeakPolarHBondContact CB-OG1 3.46Å
412H98.3Very high98.5Very high4 Ų431.6 Ų31.62%0.01918%0.177CC..SBendtrans83137.5-164.3-64.6-169.8000114.6Y393 F400 K414 H415 T416Y393-H412 AromaticContact CD2-CE1 3.45Å; Y393-H412 VanDerWaalsContact CD2-CE1 3.45Å; Y393-H412 WeakPolarHBondContact CD2-CE1 3.3Å; Y393-H412 AromaticContact CD2-NE2 3.96Å; Y393-H412 AromaticContact CE2-CE1 3.33Å; Y393-H412 WeakPolarHBondContact CE2-CE1 3.31Å; Y393-H412 AromaticContact CE2-NE2 3.39Å; Y393-H412 WeakPolarHBondContact CE2-NE2 3.25Å; Y393-H412 AromaticContact CG-CE1 3.97Å; Y393-H412 AromaticContact CZ-CE1 3.74Å; Y393-H412 AromaticContact CZ-NE2 3.78Å; Y393-H412 PolarHBondContact O-CE1 2.83Å; Y393-H412 VanDerWaalsContact O-CE1 3.22Å; Y393-H412 PolarHBondContact O-ND1 3.46Å; F400-H412 AromaticContact CD1-CE1 3.94Å; F400-H412 AromaticContact CD1-NE2 3.7Å; F400-H412 AromaticContact CG-CE1 3.88Å; H412-K414 PolarHBondContact O-N 3.45Å; H412-H415 WeakPolarHBondContact O-CA 3.43Å; H412-H415 WeakPolarHBondContact O-CB 3.47Å; H412-H415 PolarHBondContact O-CD2 2.95Å; H412-H415 PolarHBondContact O-N 2.89Å; H412-T416 VanDerWaalsContact CA-OG1 3.27Å; H412-T416 WeakPolarHBondContact CA-OG1 3.36Å; H412-T416 PolarHBondContact N-OG1 2.88Å; H412-T416 PolarHBondContact O-N 3.39Å
413G98.3Very high98.5Very high2 Ų233.9 Ų33.92%0.02119%0.185CC..Hα-helixtrans43.3-123.117900000113.9E68 W79 H415 T416 F417E68-G413 VanDerWaalsContact CD-N 3.33Å; E68-G413 PolarHBondContact OE1-N 3.34Å; E68-G413 WeakPolarHBondContact OE2-CA 3.37Å; E68-G413 PolarHBondContact OE2-N 2.92Å; W79-G413 VanDerWaalsContact CH2-C 3.46Å; G413-H415 PolarHBondContact O-N 3.48Å; G413-T416 PolarHBondContact O-N 2.99Å; G413-F417 PolarHBondContact O-N 3.3Å
414K98.5Very high98.5Very high69 Ų6937.3 Ų37.330%0.319%0.193SC..Hα-helixtrans-62.4-30.5-179.8-171.3-176.4-176-49.70112.1W79 H412 F417 D418W79-K414 HydrophobicContact CD2-CB 4.38Å; W79-K414 HydrophobicContact CD2-CG 4.27Å; W79-K414 HydrophobicContact CG-CG 4.23Å; W79-K414 HydrophobicContact CZ2-CB 3.78Å; H412-K414 PolarHBondContact O-N 3.45Å; K414-F417 WeakPolarHBondContact O-CB 3.39Å; K414-F417 PolarHBondContact O-N 3.26Å; K414-D418 IonicContact NZ-OD1 3.63Å; K414-D418 PolarHBondContact NZ-OD1 3.4Å; K414-D418 IonicContact NZ-OD2 3.61Å; K414-D418 PolarHBondContact NZ-OD2 2.9Å; K414-D418 PolarHBondContact O-N 2.95Å
415H98.8Very high98.5Very high44 Ų4439 Ų3920%0.20420%0.202CC..Hα-helixtrans-68.6-38.4-178.4-53.5-69000111.3S397 H412 G413 F417 D418 Q419S397-H415 PolarHBondContact O-NE2 2.98Å; H412-H415 WeakPolarHBondContact O-CA 3.43Å; H412-H415 WeakPolarHBondContact O-CB 3.47Å; H412-H415 PolarHBondContact O-CD2 2.95Å; H412-H415 PolarHBondContact O-N 2.89Å; G413-H415 PolarHBondContact O-N 3.48Å; H415-F417 VanDerWaalsContact C-N 3.33Å; H415-F417 PolarHBondContact O-N 3.44Å; H415-D418 PolarHBondContact O-N 3.33Å; H415-Q419 WeakPolarHBondContact O-CB 3.42Å; H415-Q419 PolarHBondContact O-N 2.88Å
416T98.8Very high98.6Very high1 Ų136.9 Ų36.91%0.00619%0.193CC..Hα-helixtrans-61.6-43.8171.9-37.80000111.2Y411 H412 G413 Q419 L420Y411-T416 WeakPolarHBondContact CB-OG1 3.46Å; H412-T416 VanDerWaalsContact CA-OG1 3.27Å; H412-T416 WeakPolarHBondContact CA-OG1 3.36Å; H412-T416 PolarHBondContact N-OG1 2.88Å; H412-T416 PolarHBondContact O-N 3.39Å; G413-T416 PolarHBondContact O-N 2.99Å; T416-Q419 PolarHBondContact O-N 3.37Å; T416-L420 HydrophobicContact CG2-CD1 4.05Å; T416-L420 WeakPolarHBondContact O-CB 3.27Å; T416-L420 PolarHBondContact O-N 2.97Å
417F98.9Very high98.5Very high2 Ų241.3 Ų41.31%0.00922%0.216CC..Hα-helixtrans-59.5-47.5177.2174.5-82.9000111.3L76 W79 A80 P100 A128 A129 G413 K414 H415 S421L76-F417 HydrophobicContact CD1-CE2 4.23Å; W79-F417 HydrophobicContact CB-CD1 3.85Å; W79-F417 HydrophobicContact CB-CD2 4.1Å; W79-F417 HydrophobicContact CB-CE1 3.86Å; W79-F417 HydrophobicContact CB-CE2 4.07Å; W79-F417 HydrophobicContact CB-CG 4Å; W79-F417 HydrophobicContact CB-CZ 3.98Å; W79-F417 HydrophobicContact CD2-CB 4.37Å; W79-F417 HydrophobicContact CD2-CG 4.39Å; W79-F417 HydrophobicContact CE3-CB 3.73Å; W79-F417 HydrophobicContact CE3-CD2 4Å; W79-F417 AromaticContact CE3-CG 3.92Å; W79-F417 HydrophobicContact CE3-CG 3.92Å; W79-F417 HydrophobicContact CG-CG 4.49Å; W79-F417 HydrophobicContact CZ3-CB 4.18Å; W79-F417 VanDerWaalsContact O-CE1 3.22Å; W79-F417 WeakPolarHBondContact O-CE1 3.44Å; W79-F417 WeakPolarHBondContact O-CZ 3.3Å; A80-F417 HydrophobicContact CB-CE2 4.47Å; A80-F417 HydrophobicContact CB-CZ 4.15Å; P100-F417 HydrophobicContact CB-CE1 3.74Å; P100-F417 HydrophobicContact CB-CZ 3.93Å; P100-F417 HydrophobicContact CG-CE1 4.13Å; A128-F417 HydrophobicContact CB-CD2 4.13Å; A128-F417 WeakPolarHBondContact O-CE2 3.29Å; A129-F417 HydrophobicContact CB-CD2 4.22Å; A129-F417 HydrophobicContact CB-CE2 4.44Å; G413-F417 PolarHBondContact O-N 3.3Å; K414-F417 WeakPolarHBondContact O-CB 3.39Å; K414-F417 PolarHBondContact O-N 3.26Å; H415-F417 VanDerWaalsContact C-N 3.33Å; H415-F417 PolarHBondContact O-N 3.44Å; F417-S421 VanDerWaalsContact O-CB 3.25Å; F417-S421 WeakPolarHBondContact O-CB 3.46Å; F417-S421 PolarHBondContact O-N 3.34Å; F417-S421 PolarHBondContact O-OG 3.29Å
418D98.8Very high98.3Very high42 Ų4245.2 Ų45.223%0.22524%0.236CC..Hα-helixtrans-67.7-43.4-179.4-76.1-17.1000111.7R83 K414 H415 L420 S421R83-D418 IonicContact CZ-OD1 3.54Å; R83-D418 IonicContact NH1-OD1 2.69Å; R83-D418 PolarHBondContact NH1-OD1 3.49Å; R83-D418 IonicContact NH1-OD2 3.92Å; R83-D418 IonicContact NH2-OD1 2.69Å; R83-D418 PolarHBondContact NH2-OD1 3.28Å; K414-D418 IonicContact NZ-OD1 3.63Å; K414-D418 PolarHBondContact NZ-OD1 3.4Å; K414-D418 IonicContact NZ-OD2 3.61Å; K414-D418 PolarHBondContact NZ-OD2 2.9Å; K414-D418 PolarHBondContact O-N 2.95Å; H415-D418 PolarHBondContact O-N 3.33Å; D418-L420 VanDerWaalsContact C-N 3.27Å; D418-L420 PolarHBondContact O-N 3.33Å; D418-S421 PolarHBondContact O-N 3.46Å; D418-S421 VanDerWaalsContact O-N 3.15Å
419Q98.8Very high98Very high49 Ų4945 Ų4523%0.22923%0.231CC..Hα-helixtrans-62.5-33.8179.6-175.665.620.200112.1T206 H410 H415 T416T206-Q419 WeakPolarHBondContact OG1-CG 3.29Å; T206-Q419 PolarHBondContact OG1-NE2 3.04Å; H410-Q419 WeakPolarHBondContact O-CG 3.38Å; H415-Q419 WeakPolarHBondContact O-CB 3.42Å; H415-Q419 PolarHBondContact O-N 2.88Å; T416-Q419 PolarHBondContact O-N 3.37Å
420L98.8Very high97.8Very high1 Ų146.8 Ų46.81%0.00524%0.239CC..THydrogen-bonded Turntrans-98.918.5178.1-59.4-179.4000113.1V106 A126 A129 N131 H181 T416 D418V106-L420 HydrophobicContact CG1-CD2 4.12Å; V106-L420 HydrophobicContact CG2-CD2 4.25Å; A126-L420 HydrophobicContact CB-CD1 3.82Å; A129-L420 HydrophobicContact CB-CB 4.18Å; A129-L420 WeakPolarHBondContact CB-O 3.33Å; N131-L420 PolarHBondContact ND2-O 2.61Å; H181-L420 HydrophobicContact CB-CD2 4.24Å; H181-L420 VanDerWaalsContact CD2-CD2 3.47Å; H181-L420 WeakPolarHBondContact CD2-CD2 3.47Å; T416-L420 HydrophobicContact CG2-CD1 4.05Å; T416-L420 WeakPolarHBondContact O-CB 3.27Å; T416-L420 PolarHBondContact O-N 2.97Å; D418-L420 VanDerWaalsContact C-N 3.27Å; D418-L420 PolarHBondContact O-N 3.33Å
421S98.9Very high97.5Very high9 Ų951.6 Ų51.66%0.06327%0.267CS..EExtended strand (participates in β ladder)trans-125.3141.7172.7-61.60000110.7E101 A129 F417 D418 Q423E101-S421 CarbonylContact O-C 3.54Å; E101-S421 WeakPolarHBondContact O-CA 3.22Å; A129-S421 WeakPolarHBondContact CB-OG 3.39Å; F417-S421 VanDerWaalsContact O-CB 3.25Å; F417-S421 WeakPolarHBondContact O-CB 3.46Å; F417-S421 PolarHBondContact O-N 3.34Å; F417-S421 PolarHBondContact O-OG 3.29Å; D418-S421 PolarHBondContact O-N 3.46Å; D418-S421 VanDerWaalsContact O-N 3.15Å; S421-Q423 PolarHBondContact O-N 3.46Å
422H98.8Very high97Very high92 Ų9259.4 Ų59.443%0.42630%0.301SS..EExtended strand (participates in β ladder)trans-77.7123.5163176.1-127.2000109.5P100 E101 L103 R424P100-H422 WeakPolarHBondContact CA-O 3.45Å; E101-H422 HydrophobicContact CG-CB 3.88Å; E101-H422 PolarHBondContact N-O 3Å; E101-H422 PolarHBondContact O-N 3.5Å; E101-H422 IonicContact OE1-CE1 3.12Å; E101-H422 IonicContact OE1-CG 3.08Å; E101-H422 IonicContact OE1-ND1 3.56Å; E101-H422 PolarHBondContact OE1-ND1 3.22Å; L103-H422 HydrophobicContact CD2-CB 3.87Å; H422-R424 PolarHBondContact O-N 2.9Å; H422-R424 VanDerWaalsContact O-N 3.17Å
423Q98.5Very high96.3Very high60 Ų6065.8 Ų65.828%0.2833%0.332SS..EExtended strand (participates in β ladder)trans-85.580.3176.8-59.3-58.4-45.100109.8R83 I98 S421 A425R83-Q423 VanDerWaalsContact NH1-OE1 3.07Å; I98-Q423 HydrophobicContact CG2-CB 3.71Å; S421-Q423 PolarHBondContact O-N 3.46Å; Q423-A425 PolarHBondContact O-N 3.12Å
424R98.4Very high95.8Very high118 Ų11870.2 Ų70.245%0.44535%0.352SS..EExtended strand (participates in β ladder)trans-73.8122.1-171.9-175173.7127.2-173.80.8112.2I98 Q99 E101 H422I98-R424 CarbonylContact C-O 3.34Å; I98-R424 WeakPolarHBondContact CA-O 3.37Å; Q99-R424 HydrophobicContact CB-CB 4.49Å; Q99-R424 PolarHBondContact N-O 2.98Å; Q99-R424 WeakPolarHBondContact O-CB 3.33Å; Q99-R424 PolarHBondContact O-N 3.31Å; E101-R424 VanDerWaalsContact OE1-CD 3.24Å; E101-R424 WeakPolarHBondContact OE1-CD 3.17Å; E101-R424 WeakPolarHBondContact OE2-CD 3.28Å; E101-R424 IonicContact OE2-CZ 3.21Å; E101-R424 IonicContact OE2-NH1 3.76Å; E101-R424 PolarHBondContact OE2-NH1 3.02Å; H422-R424 PolarHBondContact O-N 2.9Å; H422-R424 VanDerWaalsContact O-N 3.17Å
425A98.2Very high95.1Very high88 Ų8877.5 Ų77.573%0.72738%0.378SS*.EExtended strand (participates in β ladder)trans-74127.1173.600000111.4Q423Q423-A425 PolarHBondContact O-N 3.12Å
426C97.7Very high94.3Very high14 Ų1479.5 Ų79.510%0.09539%0.393CS..EExtended strand (participates in β ladder)trans-121.8125.9178.9-67.10000110.1V96 Y97V96-C426 WeakPolarHBondContact CA-O 3.42Å; Y97-C426 HydrophobicContact CD1-CB 3.93Å; Y97-C426 HydrophobicContact CD2-CB 3.92Å; Y97-C426 HydrophobicContact CE1-CB 3.6Å; Y97-C426 HydrophobicContact CE2-CB 3.63Å; Y97-C426 HydrophobicContact CG-CB 4.09Å; Y97-C426 VanDerWaalsContact CZ-CB 3.45Å; Y97-C426 PolarHBondContact N-O 3.06Å; Y97-C426 PolarHBondContact O-N 2.66Å
427L96.2Very high93.7Very high92 Ų9280.1 Ų80.148%0.48240%0.396SS..EExtended strand (participates in β ladder)trans-125.6112.8168.2-175.4157.6000108.4T91 D94 E95 V96 R429T91-L427 HydrophobicContact CG2-CD1 3.9Å; D94-L427 HydrophobicContact CB-CD2 4.16Å; D94-L427 HydrophobicContact CB-CG 4.18Å; E95-L427 CarbonylContact O-C 3.54Å; E95-L427 VanDerWaalsContact O-CA 3.32Å; E95-L427 WeakPolarHBondContact O-CA 3.21Å; V96-L427 HydrophobicContact CG2-CD1 4.4Å; V96-L427 HydrophobicContact CG2-CG 4.23Å; L427-R429 HydrophobicContact CD2-CB 3.92Å
428I96.1Very high93Very high85 Ų8584 Ų8444%0.43642%0.416SS..EExtended strand (participates in β ladder)trans-107.2113.4178.6-47.3178.4000108D94 E95 Y97D94-I428 WeakPolarHBondContact CA-O 3.46Å; E95-I428 HydrophobicContact CB-CB 3.99Å; E95-I428 HydrophobicContact CB-CG1 4.46Å; E95-I428 PolarHBondContact N-O 3.22Å; E95-I428 PolarHBondContact O-N 2.84Å; Y97-I428 HydrophobicContact CE1-CD1 3.8Å; Y97-I428 HydrophobicContact CE1-CG1 4.25Å
429R92.9Very high92.3Very high75 Ų7582.5 Ų82.528%0.28341%0.41SS..  trans-111130.6-179.7176.1167.6-67.4-1722.4110.2F90 D94 L427 N437F90-R429 PolarHBondContact O-NH2 3.37Å; D94-R429 WeakPolarHBondContact OD1-CB 3.26Å; D94-R429 VanDerWaalsContact OD1-CG 3.27Å; D94-R429 WeakPolarHBondContact OD1-CG 3.44Å; D94-R429 IonicContact OD1-CZ 2.7Å; D94-R429 IonicContact OD1-NE 3.92Å; D94-R429 PolarHBondContact OD1-NE 3.03Å; D94-R429 IonicContact OD1-NH2 3.54Å; D94-R429 IonicContact OD2-CZ 2.82Å; D94-R429 VanDerWaalsContact OD2-CZ 3.3Å; D94-R429 IonicContact OD2-NE 3.66Å; D94-R429 PolarHBondContact OD2-NE 2.91Å; D94-R429 VanDerWaalsContact OD2-NE 3.09Å; D94-R429 IonicContact OD2-NH2 3.48Å; D94-R429 PolarHBondContact OD2-NH2 3.41Å; L427-R429 HydrophobicContact CD2-CB 3.92Å; R429-N437 PolarHBondContact NH1-OD1 2.81Å
430S92.3Very high91.6Very high61 Ų6185.1 Ų85.143%0.42742%0.418SS..  trans-69.9152.8171.481.70000111.3K432S430-K432 PolarHBondContact O-N 3.04Å; S430-K432 VanDerWaalsContact O-N 3.11Å; S430-K432 WeakPolarHBondContact OG-CB 3.4Å; S430-K432 PolarHBondContact OG-N 3.15Å
431L92.4Very high91.1Very high175 Ų17588.6 Ų88.692%0.91643%0.432SS*.SBendtrans-72.66.8171.9-62.4176.9000113.7
432K88.5Confident90.7Very high165 Ų16593.4 Ų93.472%0.71746%0.463SS*.  trans-83.3168.1178.2-59.2179.4179.3176.90110.6S430 E434S430-K432 PolarHBondContact O-N 3.04Å; S430-K432 VanDerWaalsContact O-N 3.11Å; S430-K432 WeakPolarHBondContact OG-CB 3.4Å; S430-K432 PolarHBondContact OG-N 3.15Å; K432-E434 VanDerWaalsContact C-N 3.27Å; K432-E434 PolarHBondContact O-N 3.23Å
433M83.6Confident90.3Very high138 Ų13893.8 Ų93.868%0.6847%0.473SS*.  trans60.727.6175.3-57.2-59.6-7300115.2R435 V436M433-R435 PolarHBondContact O-N 3.25Å; M433-V436 HydrophobicContact CB-CG2 4.11Å; M433-V436 HydrophobicContact CE-CG2 3.98Å; M433-V436 VanDerWaalsContact O-CB 3.3Å; M433-V436 WeakPolarHBondContact O-CB 3.17Å; M433-V436 WeakPolarHBondContact O-CG2 3.39Å; M433-V436 PolarHBondContact O-N 2.89Å
434E88.8Confident89.7Confident94 Ų9495.6 Ų95.644%0.43948%0.482SS..Hα-helixtrans-57-28.2-177-175.859.9-174.800114K432 V436 N437 Y441K432-E434 VanDerWaalsContact C-N 3.27Å; K432-E434 PolarHBondContact O-N 3.23Å; E434-V436 PolarHBondContact O-N 3.23Å; E434-N437 WeakPolarHBondContact O-CB 3.49Å; E434-N437 PolarHBondContact O-N 2.84Å; E434-N437 PolarHBondContact OE2-ND2 3.13Å; E434-Y441 WeakPolarHBondContact OE1-CE2 3.14Å; E434-Y441 VanDerWaalsContact OE1-CZ 3.23Å; E434-Y441 PolarHBondContact OE1-OH 3.42Å; E434-Y441 PolarHBondContact OE2-OH 2.99Å
435R84.1Confident89.3Confident222 Ų22293.4 Ų93.484%0.83848%0.479SS*.Hα-helixtrans-59.4-28.2173.7-69.3-175.2177.2-175.3-0.4113.3M433 N437 L438M433-R435 PolarHBondContact O-N 3.25Å; R435-N437 VanDerWaalsContact C-N 3.27Å; R435-N437 PolarHBondContact O-N 3.44Å; R435-L438 HydrophobicContact CB-CD1 4.38Å; R435-L438 VanDerWaalsContact O-CB 3.32Å; R435-L438 WeakPolarHBondContact O-CB 3.45Å; R435-L438 WeakPolarHBondContact O-CG 3.36Å; R435-L438 PolarHBondContact O-N 3.42Å
436V81.6Confident88.8Confident87 Ų87100.4 Ų100.453%0.52749%0.486SS..Hα-helixtrans-66-34.6175.11800000110.4M433 E434 L438 A439M433-V436 HydrophobicContact CB-CG2 4.11Å; M433-V436 HydrophobicContact CE-CG2 3.98Å; M433-V436 VanDerWaalsContact O-CB 3.3Å; M433-V436 WeakPolarHBondContact O-CB 3.17Å; M433-V436 WeakPolarHBondContact O-CG2 3.39Å; M433-V436 PolarHBondContact O-N 2.89Å; E434-V436 PolarHBondContact O-N 3.23Å; V436-L438 PolarHBondContact O-N 3.26Å; V436-A439 PolarHBondContact O-N 2.82Å
437N85.3Confident88.2Confident13 Ų13109.4 Ų109.47%0.0752%0.518CS..Hα-helixtrans-70.7-15.8179-65.3-41.3000113.3R429 E434 R435 A439 R440 Y441R429-N437 PolarHBondContact NH1-OD1 2.81Å; E434-N437 WeakPolarHBondContact O-CB 3.49Å; E434-N437 PolarHBondContact O-N 2.84Å; E434-N437 PolarHBondContact OE2-ND2 3.13Å; R435-N437 VanDerWaalsContact C-N 3.27Å; R435-N437 PolarHBondContact O-N 3.44Å; N437-A439 PolarHBondContact O-N 3.3Å; N437-R440 HydrophobicContact CB-CG 4.34Å; N437-R440 WeakPolarHBondContact O-CG 3.36Å; N437-R440 PolarHBondContact O-N 3.11Å; N437-R440 PolarHBondContact OD1-NE 3.37Å; N437-R440 PolarHBondContact OD1-NH2 2.97Å; N437-Y441 HydrophobicContact CB-CD2 4.18Å; N437-Y441 HydrophobicContact CB-CE1 4.13Å; N437-Y441 HydrophobicContact CB-CE2 3.45Å; N437-Y441 VanDerWaalsContact CB-CE2 3.45Å; N437-Y441 VanDerWaalsContact CB-CZ 3.42Å; N437-Y441 WeakPolarHBondContact CB-OH 3.39Å; N437-Y441 WeakPolarHBondContact O-CD2 3.37Å; N437-Y441 PolarHBondContact O-N 3.22Å; N437-Y441 VanDerWaalsContact O-N 3.09Å
438L85.4Confident87.6Confident83 Ų83107.8 Ų107.844%0.43551%0.506SS..THydrogen-bonded Turntrans-56.2-26.3173.4-67.5173.7000112.9R435 V436 R440 Y441R435-L438 HydrophobicContact CB-CD1 4.38Å; R435-L438 VanDerWaalsContact O-CB 3.32Å; R435-L438 WeakPolarHBondContact O-CB 3.45Å; R435-L438 WeakPolarHBondContact O-CG 3.36Å; R435-L438 PolarHBondContact O-N 3.42Å; V436-L438 PolarHBondContact O-N 3.26Å; L438-R440 VanDerWaalsContact C-N 3.3Å; L438-R440 PolarHBondContact O-N 3.26Å; L438-Y441 HydrophobicContact CD2-CD2 4.38Å
439A83.4Confident87Confident11 Ų11105.7 Ų105.79%0.09150%0.501CS..THydrogen-bonded Turntrans-66-32.7176.200000112.2V436 N437 Q444 R451 V452V436-A439 PolarHBondContact O-N 2.82Å; N437-A439 PolarHBondContact O-N 3.3Å; A439-Q444 PolarHBondContact O-NE2 3.33Å; A439-Q444 PolarHBondContact O-OE1 3.44Å; A439-R451 HydrophobicContact CB-CB 4.46Å; A439-V452 HydrophobicContact CB-CG2 3.67Å; A439-V452 WeakPolarHBondContact O-CG2 3.34Å
440R84.1Confident86.6Confident105 Ų105111.1 Ų111.140%0.39652%0.521SS..THydrogen-bonded Turntrans-92.6-20.4177.663.3170-174.7-174.73.3113.8F90 N437 L438 Q444 V452F90-R440 HydrophobicContact CZ-CB 4.37Å; N437-R440 HydrophobicContact CB-CG 4.34Å; N437-R440 WeakPolarHBondContact O-CG 3.36Å; N437-R440 PolarHBondContact O-N 3.11Å; N437-R440 PolarHBondContact OD1-NE 3.37Å; N437-R440 PolarHBondContact OD1-NH2 2.97Å; L438-R440 VanDerWaalsContact C-N 3.3Å; L438-R440 PolarHBondContact O-N 3.26Å; R440-Q444 PolarHBondContact O-NE2 3.27Å; R440-V452 HydrophobicContact CB-CG2 4.47Å
441Y89Confident86Confident74 Ų74115.2 Ų115.229%0.2953%0.528SS..SBendtrans-78.1146.8-179.4-60.8-32.3000113.9E434 N437 L438 Q444E434-Y441 WeakPolarHBondContact OE1-CE2 3.14Å; E434-Y441 VanDerWaalsContact OE1-CZ 3.23Å; E434-Y441 PolarHBondContact OE1-OH 3.42Å; E434-Y441 PolarHBondContact OE2-OH 2.99Å; N437-Y441 HydrophobicContact CB-CD2 4.18Å; N437-Y441 HydrophobicContact CB-CE1 4.13Å; N437-Y441 HydrophobicContact CB-CE2 3.45Å; N437-Y441 VanDerWaalsContact CB-CE2 3.45Å; N437-Y441 VanDerWaalsContact CB-CZ 3.42Å; N437-Y441 WeakPolarHBondContact CB-OH 3.39Å; N437-Y441 WeakPolarHBondContact O-CD2 3.37Å; N437-Y441 PolarHBondContact O-N 3.22Å; N437-Y441 VanDerWaalsContact O-N 3.09Å; L438-Y441 HydrophobicContact CD2-CD2 4.38Å; Y441-Q444 PolarHBondContact O-NE2 2.83Å
442P89.8Confident85.5Confident110 Ų110108 Ų10871%0.71449%0.491SS*.SBendtrans-62.9156166.3-21.934.1000113.3
443P90.3Very high85.2Confident100 Ų100107.5 Ų107.565%0.64948%0.484SS*.SBendcis-70.9146.8-9.230.8-34.7000111.1R448P443-R448 PolarHBondContact O-NH1 2.91Å
444Q86.7Confident85.1Confident98 Ų98107.1 Ų107.146%0.45848%0.483SS..PPolyproline II helixtrans-87.8141.5177.6-76.6-65.3-19.200110.9A439 R440 Y441A439-Q444 PolarHBondContact O-NE2 3.33Å; A439-Q444 PolarHBondContact O-OE1 3.44Å; R440-Q444 PolarHBondContact O-NE2 3.27Å; Y441-Q444 PolarHBondContact O-NE2 2.83Å
445D89.7Confident84.5Confident71 Ų71103.7 Ų103.738%0.3847%0.47SS..  trans-134.7167.4174.370.249.7000110.1R447 R448 A449D445-R447 PolarHBondContact O-N 3.16Å; D445-R447 VanDerWaalsContact OD1-CA 3.31Å; D445-R447 WeakPolarHBondContact OD1-CA 3.25Å; D445-R447 WeakPolarHBondContact OD1-CB 3.35Å; D445-R447 PolarHBondContact OD1-N 3.39Å; D445-R448 PolarHBondContact O-N 2.94Å; D445-R448 PolarHBondContact OD1-N 2.89Å; D445-R448 WeakPolarHBondContact OD2-CD 3.44Å; D445-R448 WeakPolarHBondContact OD2-CG 3.34Å; D445-R448 IonicContact OD2-NE 2.66Å; D445-R448 PolarHBondContact OD2-NE 3.33Å; D445-R448 VanDerWaalsContact OD2-NE 3.12Å; D445-A449 WeakPolarHBondContact O-CB 3.49Å; D445-A449 PolarHBondContact O-N 3.29Å
446R87.1Confident84.2Confident236 Ų23698.9 Ų98.989%0.89146%0.461SS*.Hα-helixtrans-56.4-34.4-178.6-72.8-175.1175.8-175.2-0.6113R450R446-R450 VanDerWaalsContact O-CB 3.32Å; R446-R450 WeakPolarHBondContact O-CB 3.42Å; R446-R450 PolarHBondContact O-N 3.19Å; R446-R450 VanDerWaalsContact O-N 3.09Å
447R84.6Confident84.3Confident203 Ų203103.9 Ų103.977%0.76647%0.47SS*.Hα-helixtrans-76-42.3-178.3-64.4-177.6177.3-163.4-0111.3D445 R451D445-R447 PolarHBondContact O-N 3.16Å; D445-R447 VanDerWaalsContact OD1-CA 3.31Å; D445-R447 WeakPolarHBondContact OD1-CA 3.25Å; D445-R447 WeakPolarHBondContact OD1-CB 3.35Å; D445-R447 PolarHBondContact OD1-N 3.39Å; R447-R451 PolarHBondContact O-N 3.39Å
448R83.4Confident83.9Confident57 Ų57104.2 Ų104.222%0.21547%0.473CS..Hα-helixtrans-63-49.8174.6-68.7176.9-167.6-153.8-6.3110.8P443 D445 R450 R451 V452P443-R448 PolarHBondContact O-NH1 2.91Å; D445-R448 PolarHBondContact O-N 2.94Å; D445-R448 PolarHBondContact OD1-N 2.89Å; D445-R448 WeakPolarHBondContact OD2-CD 3.44Å; D445-R448 WeakPolarHBondContact OD2-CG 3.34Å; D445-R448 IonicContact OD2-NE 2.66Å; D445-R448 PolarHBondContact OD2-NE 3.33Å; D445-R448 VanDerWaalsContact OD2-NE 3.12Å; R448-R450 VanDerWaalsContact C-N 3.31Å; R448-R450 PolarHBondContact O-N 3.29Å; R448-R451 PolarHBondContact O-N 3.44Å; R448-R451 VanDerWaalsContact O-N 3.11Å; R448-V452 PolarHBondContact O-N 3.16Å
449A83.2Confident83.7Confident41 Ų41105.4 Ų105.434%0.33949%0.486SS..Hα-helixtrans-59.1-39.8177.400000112.6D445 R453D445-A449 WeakPolarHBondContact O-CB 3.49Å; D445-A449 PolarHBondContact O-N 3.29Å; A449-R453 VanDerWaalsContact O-CB 3.28Å; A449-R453 WeakPolarHBondContact O-CB 3.36Å; A449-R453 PolarHBondContact O-N 3.39Å
450R85.6Confident83.6Confident189 Ų189110.1 Ų110.171%0.71351%0.509SS*.Hα-helixtrans-62.2-43.6175.2-175.6177.8179.3-178.60112.2R446 R448 R453 M454R446-R450 VanDerWaalsContact O-CB 3.32Å; R446-R450 WeakPolarHBondContact O-CB 3.42Å; R446-R450 PolarHBondContact O-N 3.19Å; R446-R450 VanDerWaalsContact O-N 3.09Å; R448-R450 VanDerWaalsContact C-N 3.31Å; R448-R450 PolarHBondContact O-N 3.29Å; R450-R453 PolarHBondContact O-N 2.9Å; R450-M454 PolarHBondContact O-N 2.97Å
451R79.3Confident83.3Confident147 Ų147107.7 Ų107.756%0.55550%0.503SS*.Hα-helixtrans-64.9-46.1178.6-75.7-174.4-72.9174.2-2.3112A439 R447 R448 R453 M454 A455A439-R451 HydrophobicContact CB-CB 4.46Å; R447-R451 PolarHBondContact O-N 3.39Å; R448-R451 PolarHBondContact O-N 3.44Å; R448-R451 VanDerWaalsContact O-N 3.11Å; R451-R453 PolarHBondContact O-N 3.43Å; R451-M454 PolarHBondContact O-N 3.27Å; R451-A455 PolarHBondContact O-N 3.07Å
452V82Confident82.5Confident25 Ų25105.9 Ų105.915%0.15250%0.499CS..Hα-helixtrans-61.2-45.7175.7175.30000110.9F90 A439 R440 R448 M454 A455 L456F90-V452 HydrophobicContact CE2-CG1 4.45Å; A439-V452 HydrophobicContact CB-CG2 3.67Å; A439-V452 WeakPolarHBondContact O-CG2 3.34Å; R440-V452 HydrophobicContact CB-CG2 4.47Å; R448-V452 PolarHBondContact O-N 3.16Å; V452-M454 VanDerWaalsContact C-N 3.29Å; V452-M454 PolarHBondContact O-N 3.48Å; V452-A455 PolarHBondContact O-N 3.2Å; V452-L456 HydrophobicContact CG1-CD1 3.63Å; V452-L456 HydrophobicContact CG1-CG 4Å; V452-L456 WeakPolarHBondContact O-CB 3.12Å; V452-L456 WeakPolarHBondContact O-CG 3.34Å; V452-L456 PolarHBondContact O-N 3.25Å
453R82.8Confident81.3Confident153 Ų153102.1 Ų102.158%0.57747%0.474SS*.Hα-helixtrans-59.7-39.7178.9-173.8-177.8-65.6-175.2-1.9112.4A449 R450 R451 R457A449-R453 VanDerWaalsContact O-CB 3.28Å; A449-R453 WeakPolarHBondContact O-CB 3.36Å; A449-R453 PolarHBondContact O-N 3.39Å; R450-R453 PolarHBondContact O-N 2.9Å; R451-R453 PolarHBondContact O-N 3.43Å; R453-R457 WeakPolarHBondContact O-CB 3.31Å; R453-R457 WeakPolarHBondContact O-CG 3.39Å; R453-R457 PolarHBondContact O-N 3.44Å; R453-R457 VanDerWaalsContact O-N 3.17Å
454M80.8Confident80Confident131 Ų131100.9 Ų100.965%0.64547%0.467SS*.Hα-helixtrans-64.6-46.6176-177.6-179.4-73.700111.2R450 R451 V452 R457 S458R450-M454 PolarHBondContact O-N 2.97Å; R451-M454 PolarHBondContact O-N 3.27Å; V452-M454 VanDerWaalsContact C-N 3.29Å; V452-M454 PolarHBondContact O-N 3.48Å; M454-R457 PolarHBondContact O-N 2.86Å; M454-S458 PolarHBondContact O-N 3.44Å
455A76Confident78.5Confident21 Ų21102.2 Ų102.217%0.17447%0.472CS..Hα-helixtrans-69-34.5-179.200000113F90 R451 V452 R457 S458F90-A455 HydrophobicContact CD2-CB 3.6Å; F90-A455 HydrophobicContact CE2-CB 4.1Å; R451-A455 PolarHBondContact O-N 3.07Å; V452-A455 PolarHBondContact O-N 3.2Å; A455-R457 VanDerWaalsContact C-N 3.31Å; A455-S458 WeakPolarHBondContact O-CB 3.43Å; A455-S458 PolarHBondContact O-N 2.94Å; A455-S458 PolarHBondContact O-OG 2.93Å
456L79.2Confident76.9Confident122 Ų122108.4 Ų108.464%0.63949%0.49SS*.Hα-helixtrans-72.5-22.5174.5-70.4177.7000113.5F90 V452 S458F90-L456 HydrophobicContact CD2-CD2 4.49Å; V452-L456 HydrophobicContact CG1-CD1 3.63Å; V452-L456 HydrophobicContact CG1-CG 4Å; V452-L456 WeakPolarHBondContact O-CB 3.12Å; V452-L456 WeakPolarHBondContact O-CG 3.34Å; V452-L456 PolarHBondContact O-N 3.25Å; L456-S458 VanDerWaalsContact C-N 3.34Å
457R82.4Confident75.5Confident192 Ų192101.5 Ų101.573%0.72547%0.474SS*.THydrogen-bonded Turntrans-90.31.1175.9-72.4177.2178.3-168.6-4.6112.9R453 M454 A455R453-R457 WeakPolarHBondContact O-CB 3.31Å; R453-R457 WeakPolarHBondContact O-CG 3.39Å; R453-R457 PolarHBondContact O-N 3.44Å; R453-R457 VanDerWaalsContact O-N 3.17Å; M454-R457 PolarHBondContact O-N 2.86Å; A455-R457 VanDerWaalsContact C-N 3.31Å
458S76.9Confident74.4Confident20 Ų2095.3 Ų95.314%0.1446%0.456CS..SBendtrans-67.2139.8178.271.30000110.1L89 M454 A455 L456L89-S458 PolarHBondContact N-OG 3.39Å; M454-S458 PolarHBondContact O-N 3.44Å; A455-S458 WeakPolarHBondContact O-CB 3.43Å; A455-S458 PolarHBondContact O-N 2.94Å; A455-S458 PolarHBondContact O-OG 2.93Å; L456-S458 VanDerWaalsContact C-N 3.34Å
459P80.6Confident73.4Confident107 Ų10798 Ų9870%0.69547%0.473SS*.PPolyproline II helixtrans-59.9155.7171.228.1-34.3000110.4
460L82.5Confident72.6Confident111 Ų111104.4 Ų104.458%0.58149%0.489SS*.PPolyproline II helixtrans-66.6141.8170.1-65.1177000109.5E86 K87E86-L460 HydrophobicContact CB-CB 3.97Å; E86-L460 HydrophobicContact CB-CD1 4.42Å; E86-L460 WeakPolarHBondContact OE2-CB 3.37Å; K87-L460 CarbonylContact O-C 3.58Å; K87-L460 WeakPolarHBondContact O-CA 3.25Å
461I77.3Confident71.8Confident53 Ų5397.8 Ų97.827%0.27247%0.474SS..BIsolated β-bridgetrans-114.3112.3-178.6-56.5174.9000106.4K87 L89 I92 T463K87-I461 PolarHBondContact N-O 2.98Å; K87-I461 PolarHBondContact O-N 3.48Å; L89-I461 HydrophobicContact CD2-CD1 3.7Å; L89-I461 HydrophobicContact CG-CD1 4.3Å; I92-I461 HydrophobicContact CD1-CB 4.29Å; I92-I461 HydrophobicContact CD1-CD1 4.2Å; I92-I461 HydrophobicContact CD1-CG2 4.25Å; I461-T463 HydrophobicContact CG2-CG2 4.08Å; I461-T463 PolarHBondContact O-N 2.98Å; I461-T463 VanDerWaalsContact O-N 3.09Å
462D72Confident71.5Confident36 Ų3694.4 Ų94.419%0.19347%0.47CS..  trans-71.6100.2170.7-177.21.9000109.5E86 S464 K465E86-D462 HydrophobicContact CG-CB 4.06Å; D462-S464 VanDerWaalsContact C-N 3.33Å; D462-S464 WeakPolarHBondContact OD1-CA 3.43Å; D462-S464 VanDerWaalsContact OD1-CB 3.23Å; D462-S464 WeakPolarHBondContact OD1-CB 3.48Å; D462-S464 PolarHBondContact OD1-N 3.45Å; D462-S464 PolarHBondContact OD1-OG 3.08Å; D462-K465 WeakPolarHBondContact OD2-CD 3.27Å; D462-K465 WeakPolarHBondContact OD2-CE 3.24Å; D462-K465 WeakPolarHBondContact OD2-CG 3.38Å; D462-K465 IonicContact OD2-NZ 3.49Å; D462-K465 PolarHBondContact OD2-NZ 3.27Å
463T65.6Low71.2Confident32 Ų3295.8 Ų95.820%0.19648%0.478CS..  trans-88.3-0.9174.260.30000113K87 I92 I461 L468K87-T463 HydrophobicContact CD-CG2 4.38Å; K87-T463 WeakPolarHBondContact CE-OG1 3.24Å; I92-T463 HydrophobicContact CD1-CG2 3.56Å; I461-T463 HydrophobicContact CG2-CG2 4.08Å; I461-T463 PolarHBondContact O-N 2.98Å; I461-T463 VanDerWaalsContact O-N 3.09Å; T463-L468 HydrophobicContact CG2-CD2 3.94Å
464S61.6Low70.8Confident73 Ų7391.2 Ų91.251%0.5147%0.473SS..SBendtrans-80.3-19.8-176.977.60000113.1D462D462-S464 VanDerWaalsContact C-N 3.33Å; D462-S464 WeakPolarHBondContact OD1-CA 3.43Å; D462-S464 VanDerWaalsContact OD1-CB 3.23Å; D462-S464 WeakPolarHBondContact OD1-CB 3.48Å; D462-S464 PolarHBondContact OD1-N 3.45Å; D462-S464 PolarHBondContact OD1-OG 3.08Å
465K55.8Low70.9Confident126 Ų12689 Ų8955%0.54847%0.468SS..SBendtrans-96.6150.8-177.1-68.9178.5-172.4161.30113.2D462 T467 L468D462-K465 WeakPolarHBondContact OD2-CD 3.27Å; D462-K465 WeakPolarHBondContact OD2-CE 3.24Å; D462-K465 WeakPolarHBondContact OD2-CG 3.38Å; D462-K465 IonicContact OD2-NZ 3.49Å; D462-K465 PolarHBondContact OD2-NZ 3.27Å; K465-T467 WeakPolarHBondContact CB-OG1 3.26Å; K465-T467 PolarHBondContact O-N 3.34Å; K465-L468 PolarHBondContact O-N 2.62Å; K465-L468 VanDerWaalsContact O-N 3.13Å
466R56.5Low71.3Confident202 Ų20293.4 Ų93.476%0.76249%0.487SS*.Hα-helixtrans-43-20.2164.6-80178.4169-179.6-3.6113.6L468 I469 W470R466-L468 PolarHBondContact O-N 2.84Å; R466-I469 WeakPolarHBondContact O-CB 3.34Å; R466-I469 PolarHBondContact O-N 2.69Å; R466-W470 PolarHBondContact O-N 2.92Å
467T57.3Low71.6Confident90 Ų9092.9 Ų92.955%0.55248%0.484SS*.Hα-helixtrans-57.2-39176.3-22.20000113.8K465 W470 A471K465-T467 WeakPolarHBondContact CB-OG1 3.26Å; K465-T467 PolarHBondContact O-N 3.34Å; T467-W470 PolarHBondContact O-N 2.84Å; T467-A471 VanDerWaalsContact O-CB 3.26Å; T467-A471 WeakPolarHBondContact O-CB 3.27Å; T467-A471 PolarHBondContact O-N 3.48Å
468L61.7Low71.9Confident74 Ų7485.6 Ų85.639%0.38747%0.468SS..Hα-helixtrans-68.6-39.6176-173.871.7000110.9T463 K465 R466 A471 V472T463-L468 HydrophobicContact CG2-CD2 3.94Å; K465-L468 PolarHBondContact O-N 2.62Å; K465-L468 VanDerWaalsContact O-N 3.13Å; R466-L468 PolarHBondContact O-N 2.84Å; L468-A471 PolarHBondContact O-N 3.26Å; L468-V472 WeakPolarHBondContact O-CB 3.44Å; L468-V472 VanDerWaalsContact O-CG2 3.27Å; L468-V472 WeakPolarHBondContact O-CG2 3.35Å; L468-V472 PolarHBondContact O-N 2.92Å
469I62.7Low72.6Confident114 Ų11489.1 Ų89.159%0.58549%0.485SS*.Hα-helixtrans-61-47.7174.7-60.2173.1000109.5R466 A471 V472 V473R466-I469 WeakPolarHBondContact O-CB 3.34Å; R466-I469 PolarHBondContact O-N 2.69Å; I469-A471 PolarHBondContact O-N 3.5Å; I469-V472 PolarHBondContact O-N 3.42Å; I469-V473 HydrophobicContact CG2-CG2 4.4Å; I469-V473 WeakPolarHBondContact O-CB 3.3Å; I469-V473 WeakPolarHBondContact O-CG2 3.15Å; I469-V473 PolarHBondContact O-N 3.4Å
470W65.9Low72.9Confident174 Ų17485.5 Ų85.566%0.65947%0.467SS*.Hα-helixtrans-66.3-35.6176.9-75.9115.7000113.5R466 T467 V473 A474R466-W470 PolarHBondContact O-N 2.92Å; T467-W470 PolarHBondContact O-N 2.84Å; W470-V473 HydrophobicContact CE3-CG1 4.37Å; W470-V473 HydrophobicContact CZ3-CG1 4.48Å; W470-V473 PolarHBondContact O-N 2.9Å; W470-A474 WeakPolarHBondContact O-CB 3.4Å; W470-A474 PolarHBondContact O-N 3.5Å
471A68.4Low73.3Confident50 Ų5086 Ų8641%0.41347%0.469SS..Hα-helixtrans-67.6-41.9175.500000111.7T467 L468 I469 T475T467-A471 VanDerWaalsContact O-CB 3.26Å; T467-A471 WeakPolarHBondContact O-CB 3.27Å; T467-A471 PolarHBondContact O-N 3.48Å; L468-A471 PolarHBondContact O-N 3.26Å; I469-A471 PolarHBondContact O-N 3.5Å; A471-T475 WeakPolarHBondContact O-CB 3.27Å; A471-T475 PolarHBondContact O-N 2.89Å; A471-T475 PolarHBondContact O-OG1 2.91Å
472V73.3Confident74Confident76 Ų7690.2 Ų90.246%0.46149%0.486SS..Hα-helixtrans-64.9-46.2174.2171.10000110.4L468 I469 A474 T475 I476L468-V472 WeakPolarHBondContact O-CB 3.44Å; L468-V472 VanDerWaalsContact O-CG2 3.27Å; L468-V472 WeakPolarHBondContact O-CG2 3.35Å; L468-V472 PolarHBondContact O-N 2.92Å; I469-V472 PolarHBondContact O-N 3.42Å; V472-A474 PolarHBondContact O-N 2.8Å; V472-T475 PolarHBondContact O-N 3.49Å; V472-I476 HydrophobicContact CG1-CD1 3.83Å; V472-I476 VanDerWaalsContact O-CG1 3.3Å; V472-I476 WeakPolarHBondContact O-CG1 3.17Å; V472-I476 PolarHBondContact O-N 2.87Å
473V75.3Confident74.8Confident54 Ų5493 Ų9333%0.32750%0.5SS..Hα-helixtrans-59.9-47.1176168.50000111.2I469 W470 T475 I476 L477I469-V473 HydrophobicContact CG2-CG2 4.4Å; I469-V473 WeakPolarHBondContact O-CB 3.3Å; I469-V473 WeakPolarHBondContact O-CG2 3.15Å; I469-V473 PolarHBondContact O-N 3.4Å; W470-V473 HydrophobicContact CE3-CG1 4.37Å; W470-V473 HydrophobicContact CZ3-CG1 4.48Å; W470-V473 PolarHBondContact O-N 2.9Å; V473-T475 VanDerWaalsContact C-N 3.31Å; V473-T475 PolarHBondContact O-N 3.2Å; V473-I476 PolarHBondContact O-N 3.36Å; V473-L477 HydrophobicContact CG1-CD1 3.88Å; V473-L477 HydrophobicContact CG1-CG 4.45Å; V473-L477 WeakPolarHBondContact O-CB 3.36Å; V473-L477 VanDerWaalsContact O-CG 3.31Å; V473-L477 WeakPolarHBondContact O-CG 3.35Å; V473-L477 PolarHBondContact O-N 3.43Å
474A76.1Confident75.8Confident58 Ų5895.2 Ų95.248%0.47951%0.514SS..Hα-helixtrans-63.4-37177.800000112.2W470 V472 G478W470-A474 WeakPolarHBondContact O-CB 3.4Å; W470-A474 PolarHBondContact O-N 3.5Å; V472-A474 PolarHBondContact O-N 2.8Å; A474-G478 PolarHBondContact O-N 3.33Å
475T82.6Confident77.2Confident85 Ų8596.6 Ų96.652%0.52152%0.515SS..Hα-helixtrans-68-43.4176.3-55.70000111.2A471 V472 V473 G478 I479A471-T475 WeakPolarHBondContact O-CB 3.27Å; A471-T475 PolarHBondContact O-N 2.89Å; A471-T475 PolarHBondContact O-OG1 2.91Å; V472-T475 PolarHBondContact O-N 3.49Å; V473-T475 VanDerWaalsContact C-N 3.31Å; V473-T475 PolarHBondContact O-N 3.2Å; T475-G478 PolarHBondContact O-N 3.01Å; T475-I479 HydrophobicContact CG2-CD1 4.01Å; T475-I479 VanDerWaalsContact O-CG1 3.3Å; T475-I479 WeakPolarHBondContact O-CG1 3.29Å; T475-I479 PolarHBondContact O-N 3.4Å
476I84.3Confident78.7Confident113 Ų11394.6 Ų94.658%0.57951%0.509SS*.Hα-helixtrans-62.2-45.6175.8-68.6167.7000110.5V472 V473 I479 G480V472-I476 HydrophobicContact CG1-CD1 3.83Å; V472-I476 VanDerWaalsContact O-CG1 3.3Å; V472-I476 WeakPolarHBondContact O-CG1 3.17Å; V472-I476 PolarHBondContact O-N 2.87Å; V473-I476 PolarHBondContact O-N 3.36Å; I476-I479 PolarHBondContact O-N 3.3Å; I476-G480 PolarHBondContact O-N 2.91Å
477L85.6Confident80.1Confident111 Ų11188.1 Ų88.158%0.58149%0.492SS*.Hα-helixtrans-62.2-42.4175.9-72.2171000111.8V473 G480 L481V473-L477 HydrophobicContact CG1-CD1 3.88Å; V473-L477 HydrophobicContact CG1-CG 4.45Å; V473-L477 WeakPolarHBondContact O-CB 3.36Å; V473-L477 VanDerWaalsContact O-CG 3.31Å; V473-L477 WeakPolarHBondContact O-CG 3.35Å; V473-L477 PolarHBondContact O-N 3.43Å; L477-G480 PolarHBondContact O-N 3.5Å; L477-L481 WeakPolarHBondContact O-CB 3.46Å; L477-L481 PolarHBondContact O-N 3.45Å
478G88.8Confident81.5Confident38 Ų3888.8 Ų88.839%0.39249%0.492SS..Hα-helixtrans-63.5-43177.200000113A474 T475 L481 F482A474-G478 PolarHBondContact O-N 3.33Å; T475-G478 PolarHBondContact O-N 3.01Å; G478-L481 PolarHBondContact O-N 2.9Å; G478-F482 WeakPolarHBondContact O-CB 3.3Å; G478-F482 PolarHBondContact O-N 2.89Å
479I89.9Confident82.6Confident95 Ų9590.3 Ų90.349%0.48750%0.499SS..Hα-helixtrans-63.8-43.1174-68.9168.3000110.4T475 I476 F482 I483T475-I479 HydrophobicContact CG2-CD1 4.01Å; T475-I479 VanDerWaalsContact O-CG1 3.3Å; T475-I479 WeakPolarHBondContact O-CG1 3.29Å; T475-I479 PolarHBondContact O-N 3.4Å; I476-I479 PolarHBondContact O-N 3.3Å; I479-F482 PolarHBondContact O-N 2.94Å; I479-I483 HydrophobicContact CG2-CD1 3.74Å; I479-I483 HydrophobicContact CG2-CG1 4.35Å; I479-I483 VanDerWaalsContact O-CG1 3.29Å; I479-I483 WeakPolarHBondContact O-CG1 3.37Å; I479-I483 PolarHBondContact O-N 2.91Å
480G88.8Confident83.5Confident31 Ų3188.3 Ų88.332%0.3249%0.49SS..Hα-helixtrans-59.4-47.717600000112.6I476 L477 F482 I483 T484I476-G480 PolarHBondContact O-N 2.91Å; L477-G480 PolarHBondContact O-N 3.5Å; G480-F482 PolarHBondContact O-N 3.31Å; G480-I483 PolarHBondContact O-N 3.3Å; G480-T484 WeakPolarHBondContact O-CB 3.22Å; G480-T484 PolarHBondContact O-N 2.9Å; G480-T484 PolarHBondContact O-OG1 3.39Å
481L90.5Very high84.1Confident120 Ų12084.9 Ų84.963%0.62848%0.483SS*.Hα-helixtrans-59.6-44.8174.5-100.7150.7000112.1L477 G478 T484 L485L477-L481 WeakPolarHBondContact O-CB 3.46Å; L477-L481 PolarHBondContact O-N 3.45Å; G478-L481 PolarHBondContact O-N 2.9Å; L481-T484 PolarHBondContact O-N 3.28Å; L481-L485 WeakPolarHBondContact O-CB 3.17Å; L481-L485 PolarHBondContact O-N 3.42Å
482F90.7Very high84.5Confident142 Ų14286.5 Ų86.562%0.62350%0.497SS*.Hα-helixtrans-61.6-46.8177.6-178.4-99.4000112.1G478 I479 G480 T484 L485 L486G478-F482 WeakPolarHBondContact O-CB 3.3Å; G478-F482 PolarHBondContact O-N 2.89Å; I479-F482 PolarHBondContact O-N 2.94Å; G480-F482 PolarHBondContact O-N 3.31Å; F482-T484 VanDerWaalsContact C-N 3.3Å; F482-T484 PolarHBondContact O-N 3.42Å; F482-L485 PolarHBondContact O-N 2.9Å; F482-L486 HydrophobicContact CE1-CD1 4.14Å; F482-L486 HydrophobicContact CZ-CD1 4.06Å; F482-L486 WeakPolarHBondContact O-CB 3.45Å; F482-L486 PolarHBondContact O-N 3.32Å
483I89.6Confident84.8Confident95 Ų9586.7 Ų86.749%0.48751%0.506SS..Hα-helixtrans-60.2-43.1176-68.8168.6000110.4I479 G480 L486 V487I479-I483 HydrophobicContact CG2-CD1 3.74Å; I479-I483 HydrophobicContact CG2-CG1 4.35Å; I479-I483 VanDerWaalsContact O-CG1 3.29Å; I479-I483 WeakPolarHBondContact O-CG1 3.37Å; I479-I483 PolarHBondContact O-N 2.91Å; G480-I483 PolarHBondContact O-N 3.3Å; I483-L486 WeakPolarHBondContact O-CB 3.41Å; I483-L486 PolarHBondContact O-N 2.92Å; I483-V487 VanDerWaalsContact O-CG2 3.32Å; I483-V487 WeakPolarHBondContact O-CG2 3.31Å; I483-V487 PolarHBondContact O-N 3.3Å
484T86.4Confident84.4Confident79 Ų7987 Ų8749%0.48552%0.52SS..Hα-helixtrans-64.7-44-179-52.30000110.9G480 L481 F482 L486 V487 I488G480-T484 WeakPolarHBondContact O-CB 3.22Å; G480-T484 PolarHBondContact O-N 2.9Å; G480-T484 PolarHBondContact O-OG1 3.39Å; L481-T484 PolarHBondContact O-N 3.28Å; F482-T484 VanDerWaalsContact C-N 3.3Å; F482-T484 PolarHBondContact O-N 3.42Å; T484-L486 VanDerWaalsContact C-N 3.33Å; T484-L486 PolarHBondContact O-N 3.5Å; T484-V487 PolarHBondContact O-N 3.41Å; T484-I488 HydrophobicContact CG2-CD1 4.15Å; T484-I488 WeakPolarHBondContact O-CG1 3.44Å; T484-I488 PolarHBondContact O-N 2.91Å
485L90.2Very high83.5Confident101 Ų10189.3 Ų89.353%0.52952%0.524SS..Hα-helixtrans-65.5-38.3177.5-154122.8000111.5L481 F482 I488 L489L481-L485 WeakPolarHBondContact O-CB 3.17Å; L481-L485 PolarHBondContact O-N 3.42Å; F482-L485 PolarHBondContact O-N 2.9Å; L485-I488 PolarHBondContact O-N 3.45Å; L485-L489 HydrophobicContact CD2-CD1 3.8Å; L485-L489 WeakPolarHBondContact O-CB 3.3Å; L485-L489 VanDerWaalsContact O-CG 3.3Å; L485-L489 WeakPolarHBondContact O-CG 3.39Å; L485-L489 PolarHBondContact O-N 3.4Å
486L87.9Confident82Confident84 Ų8492 Ų9244%0.4454%0.535SS..Hα-helixtrans-62-44.2173.4-156.2102.8000111.3F482 I483 T484 L489 L490F482-L486 HydrophobicContact CE1-CD1 4.14Å; F482-L486 HydrophobicContact CZ-CD1 4.06Å; F482-L486 WeakPolarHBondContact O-CB 3.45Å; F482-L486 PolarHBondContact O-N 3.32Å; I483-L486 WeakPolarHBondContact O-CB 3.41Å; I483-L486 PolarHBondContact O-N 2.92Å; T484-L486 VanDerWaalsContact C-N 3.33Å; T484-L486 PolarHBondContact O-N 3.5Å; L486-L489 PolarHBondContact O-N 2.92Å; L486-L490 HydrophobicContact CD2-CD1 4.05Å; L486-L490 HydrophobicContact CG-CD1 4.37Å; L486-L490 WeakPolarHBondContact O-CB 3.44Å; L486-L490 WeakPolarHBondContact O-CD1 3.32Å; L486-L490 WeakPolarHBondContact O-CG 3.33Å; L486-L490 PolarHBondContact O-N 2.92Å
487V85.6Confident80.5Confident67 Ų6791.6 Ų91.641%0.40654%0.541SS..Hα-helixtrans-63.5-44.3176.3170.90000111.3I483 T484 L490 I491I483-V487 VanDerWaalsContact O-CG2 3.32Å; I483-V487 WeakPolarHBondContact O-CG2 3.31Å; I483-V487 PolarHBondContact O-N 3.3Å; T484-V487 PolarHBondContact O-N 3.41Å; V487-L490 PolarHBondContact O-N 3.49Å; V487-I491 HydrophobicContact CG1-CD1 3.82Å; V487-I491 HydrophobicContact CG1-CG1 4.49Å; V487-I491 VanDerWaalsContact O-CG1 3.29Å; V487-I491 WeakPolarHBondContact O-CG1 3.42Å; V487-I491 PolarHBondContact O-N 2.88Å
488I86.3Confident78.7Confident104 Ų10491.7 Ų91.753%0.53355%0.546SS..Hα-helixtrans-62.1-44.6176.9-68.8167.3000110.9T484 L485 L490 I491 A492T484-I488 HydrophobicContact CG2-CD1 4.15Å; T484-I488 WeakPolarHBondContact O-CG1 3.44Å; T484-I488 PolarHBondContact O-N 2.91Å; L485-I488 PolarHBondContact O-N 3.45Å; I488-L490 VanDerWaalsContact C-N 3.35Å; I488-L490 PolarHBondContact O-N 3.31Å; I488-I491 PolarHBondContact O-N 2.69Å; I488-A492 VanDerWaalsContact O-CB 3.31Å; I488-A492 WeakPolarHBondContact O-CB 3.42Å; I488-A492 PolarHBondContact O-N 2.94Å
489L85.5Confident76.6Confident105 Ų10595.4 Ų95.455%0.5557%0.565SS.*Hα-helixtrans-64.1-38.9177.2-75.7170.2000112.1L485 L486 A492 A493L485-L489 HydrophobicContact CD2-CD1 3.8Å; L485-L489 WeakPolarHBondContact O-CB 3.3Å; L485-L489 VanDerWaalsContact O-CG 3.3Å; L485-L489 WeakPolarHBondContact O-CG 3.39Å; L485-L489 PolarHBondContact O-N 3.4Å; L486-L489 PolarHBondContact O-N 2.92Å; L489-A492 PolarHBondContact O-N 3.26Å; L489-A493 WeakPolarHBondContact O-CB 3.31Å; L489-A493 PolarHBondContact O-N 3.17Å
490L81.9Confident74.4Confident73 Ų73103.2 Ų103.238%0.38259%0.589SS.*Hα-helixtrans-64.4-42.8174.8-72.3165.3000111.5L486 V487 I488 A493 L495L486-L490 HydrophobicContact CD2-CD1 4.05Å; L486-L490 HydrophobicContact CG-CD1 4.37Å; L486-L490 WeakPolarHBondContact O-CB 3.44Å; L486-L490 WeakPolarHBondContact O-CD1 3.32Å; L486-L490 WeakPolarHBondContact O-CG 3.33Å; L486-L490 PolarHBondContact O-N 2.92Å; V487-L490 PolarHBondContact O-N 3.49Å; I488-L490 VanDerWaalsContact C-N 3.35Å; I488-L490 PolarHBondContact O-N 3.31Å; L490-A493 PolarHBondContact O-N 3.11Å; L490-L495 HydrophobicContact CD2-CD1 3.73Å; L490-L495 WeakPolarHBondContact O-CB 3.29Å; L490-L495 PolarHBondContact O-N 3.31Å
491I79.2Confident72.1Confident102 Ų102112.3 Ų112.352%0.52362%0.615SS.*Hα-helixtrans-64.1-45.9175.1-67.5166.8000110.8V487 I488 A493 G494V487-I491 HydrophobicContact CG1-CD1 3.82Å; V487-I491 HydrophobicContact CG1-CG1 4.49Å; V487-I491 VanDerWaalsContact O-CG1 3.29Å; V487-I491 WeakPolarHBondContact O-CG1 3.42Å; V487-I491 PolarHBondContact O-N 2.88Å; I488-I491 PolarHBondContact O-N 2.69Å; I491-A493 VanDerWaalsContact C-N 3.29Å; I491-A493 PolarHBondContact O-N 3.34Å; I491-G494 PolarHBondContact O-N 3.08Å; I491-G494 VanDerWaalsContact O-N 3.08Å
492A76.9Confident69.9Low84 Ų84116.9 Ų116.969%0.69462%0.624SS**Hα-helixtrans-66.2-29179.300000113I488 L489 G494I488-A492 VanDerWaalsContact O-CB 3.31Å; I488-A492 WeakPolarHBondContact O-CB 3.42Å; I488-A492 PolarHBondContact O-N 2.94Å; L489-A492 PolarHBondContact O-N 3.26Å; A492-G494 PolarHBondContact O-N 2.84Å
493A79.6Confident67.4Low80 Ų80122.1 Ų122.166%0.66164%0.64SS**THydrogen-bonded Turntrans-78.45.1173.600000113.7L489 L490 I491L489-A493 WeakPolarHBondContact O-CB 3.31Å; L489-A493 PolarHBondContact O-N 3.17Å; L490-A493 PolarHBondContact O-N 3.11Å; I491-A493 VanDerWaalsContact C-N 3.29Å; I491-A493 PolarHBondContact O-N 3.34Å
494G65.7Low64.9Low61 Ų61120.6 Ų120.663%0.62965%0.648SS**THydrogen-bonded Turntrans83.712174.100000115.2I491 A492 N496I491-G494 PolarHBondContact O-N 3.08Å; I491-G494 VanDerWaalsContact O-N 3.08Å; A492-G494 PolarHBondContact O-N 2.84Å; G494-N496 PolarHBondContact O-N 2.94Å; G494-N496 VanDerWaalsContact O-N 3.11Å
495L56.9Low63Low106 Ų106125.5 Ų125.556%0.55566%0.663SS**  trans-77.992.5167.8-83.1143.1000108.9L490 C497L490-L495 HydrophobicContact CD2-CD1 3.73Å; L490-L495 WeakPolarHBondContact O-CB 3.29Å; L490-L495 PolarHBondContact O-N 3.31Å; L495-C497 PolarHBondContact O-N 2.94Å
496N51.5Low60.8Low142 Ų142131.2 Ų131.276%0.75968%0.679SS**  trans-58.9100.5170.3-98.7-22.6000110.2G494 T498G494-N496 PolarHBondContact O-N 2.94Å; G494-N496 VanDerWaalsContact O-N 3.11Å; N496-T498 PolarHBondContact O-N 2.92Å
497C52.6Low58.6Low104 Ų104138.5 Ų138.570%0.70372%0.718SS**  trans-74.554.3168.8-77.90000111.8L495L495-C497 PolarHBondContact O-N 2.94Å
498T47.8Very low57.3Low112 Ų112142.1 Ų142.169%0.68773%0.734SS**  trans-104.225.417546.30000113.4N496N496-T498 PolarHBondContact O-N 2.92Å
499C44.3Very low55.7Low117 Ų117144.1 Ų144.179%0.79174%0.744SS**  trans-123.327.3180-92.90000116
500W44.7Very low54.1Low258 Ų258146.2 Ų146.298%0.97776%0.755SS**  trans-122.241.1168.5-84.566.6000112.5W502W500-W502 PolarHBondContact O-N 3.27Å
501Y39.8Very low52.4Low223 Ų223150.5 Ų150.588%0.87578%0.777SS**  trans-85.6105.5163.7-128.2-89.6000109.4R503Y501-R503 PolarHBondContact O-N 3.47Å
502W45.4Very low50.8Low215 Ų215153.6 Ų153.681%0.81479%0.793SS**  trans1.1101.8147.2-111.655.1000116W500W500-W502 PolarHBondContact O-N 3.27Å
503R37.8Very low49Very low252 Ų252158.2 Ų158.295%0.95180%0.799SS**  trans-105.3122.4143.3-79.9179.7172.6-176.7-2.4104.3Y501Y501-R503 PolarHBondContact O-N 3.47Å
504G37.1Very low46.8Very low64 Ų64163.8 Ų163.866%0.6681%0.809SS**  cis144.9100.223.500000104.2Y506G504-Y506 PolarHBondContact O-N 3.38Å
505F46.2Very low45.4Very low181 Ų181171.7 Ų171.779%0.79482%0.823SS**  trans-64.1116.1162.4-98.9-96.1000107.3
506Y44.8Very low44.4Very low221 Ų221177.2 Ų177.287%0.86785%0.845SS**  trans169.690.8145.3-99.4-72.1000109.3G504G504-Y506 PolarHBondContact O-N 3.38Å
507N41.1Very low43.8Very low237 Ų237180.4 Ų180.4100%1.26785%0.853SS**  trans1720132.6-90.8-14000109.6

Retrieved 507 of 507 residues in 203.3 ms (Link to these results)

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