Q99PH3_MOUSE Loading...

Aldehyde dehydrogenase

AlphaFold DB , UniProt , Accession Q99PH3, Species MOUSE (Mus musculus, Mouse), Gene Aldh3a2, Length 484 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
1M92.4Very high97.2Very high72 Ų7274.5 Ų74.536%0.35533%0.331SS..  0-61.70-59.3-45.615200112.4R3 Q4 V5 V163 E169 E172 L173 Q176M1-R3 PolarHBondContact O-N 3.24Å; M1-Q4 WeakPolarHBondContact O-CB 3.35Å; M1-Q4 PolarHBondContact O-N 2.81Å; M1-V5 PolarHBondContact O-N 2.81Å; M1-V5 VanDerWaalsContact O-N 3.12Å; M1-V163 HydrophobicContact CE-CG1 3.59Å; M1-V163 HydrophobicContact SD-CG1 3.58Å; M1-V163 VanDerWaalsContact SD-CG1 3.58Å; M1-V163 HydrophobicContact SD-CG2 4.41Å; M1-E169 HydrophobicContact CE-CB 4.23Å; M1-E169 HydrophobicContact CE-CG 4.46Å; M1-E172 HydrophobicContact CG-CB 4.14Å; M1-L173 HydrophobicContact CB-CD1 4.37Å; M1-L173 HydrophobicContact CG-CB 4.37Å; M1-L173 HydrophobicContact CG-CD1 4.44Å; M1-L173 HydrophobicContact SD-CB 4.49Å; M1-L173 HydrophobicContact SD-CD1 4.03Å; M1-Q176 HydrophobicContact CB-CG 4.34Å
2E96.1Very high97.4Very high125 Ų12570.4 Ų70.458%0.58431%0.312SS*.Hα-helixtrans-50.9-52.6-177.7-175.9178-167.200114.4Q4 V5 L6E2-Q4 PolarHBondContact O-N 2.98Å; E2-V5 PolarHBondContact O-N 2.74Å; E2-L6 HydrophobicContact CG-CD1 3.95Å; E2-L6 HydrophobicContact CG-CG 4.38Å; E2-L6 WeakPolarHBondContact O-CG 3.24Å; E2-L6 PolarHBondContact O-N 2.65Å
3R96.8Very high97.5Very high224 Ų22479.3 Ų79.385%0.84534%0.342SS*.Hα-helixtrans-55.3-37.8178.7-171.9179.3-178.2-174.71113.1M1 R7M1-R3 PolarHBondContact O-N 3.24Å; R3-R7 WeakPolarHBondContact O-CB 3.39Å; R3-R7 PolarHBondContact O-N 3.24Å
4Q94.9Very high97.6Very high51 Ų5179.1 Ų79.124%0.23836%0.356CS..Hα-helixtrans-72.2-42.7-178.9-169.1169.23.400111.3M1 E2 R7 L8 I162M1-Q4 WeakPolarHBondContact O-CB 3.35Å; M1-Q4 PolarHBondContact O-N 2.81Å; E2-Q4 PolarHBondContact O-N 2.98Å; Q4-R7 PolarHBondContact O-N 2.91Å; Q4-L8 WeakPolarHBondContact O-CD1 3.35Å; Q4-L8 PolarHBondContact O-N 3.02Å; Q4-I162 PolarHBondContact NE2-O 3.06Å; Q4-I162 VanDerWaalsContact NE2-O 3.17Å
5V98Very high97.6Very high6 Ų675 Ų754%0.03634%0.344CS..Hα-helixtrans-64.4-41.3175178.10000111M1 E2 R7 L8 R9 I133 L173 Q176 F178M1-V5 PolarHBondContact O-N 2.81Å; M1-V5 VanDerWaalsContact O-N 3.12Å; E2-V5 PolarHBondContact O-N 2.74Å; V5-R7 PolarHBondContact O-N 3.45Å; V5-L8 PolarHBondContact O-N 2.69Å; V5-R9 WeakPolarHBondContact O-CB 3.45Å; V5-R9 PolarHBondContact O-N 3.29Å; V5-I133 HydrophobicContact CG2-CD1 3.67Å; V5-L173 HydrophobicContact CG2-CD1 4.22Å; V5-Q176 HydrophobicContact CB-CB 4.35Å; V5-Q176 HydrophobicContact CG1-CB 4.26Å; V5-Q176 HydrophobicContact CG2-CB 3.85Å; V5-Q176 HydrophobicContact CG2-CG 3.91Å; V5-F178 HydrophobicContact CG1-CE1 4.39Å; V5-F178 HydrophobicContact CG2-CE1 4.12Å; V5-F178 HydrophobicContact CG2-CZ 3.79Å
6L98.2Very high97.6Very high84 Ų8475.4 Ų75.444%0.4434%0.342SS..Hα-helixtrans-61.2-43.8176.6-75.5174.2000112.2E2 L8 R9 Q10E2-L6 HydrophobicContact CG-CD1 3.95Å; E2-L6 HydrophobicContact CG-CG 4.38Å; E2-L6 WeakPolarHBondContact O-CG 3.24Å; E2-L6 PolarHBondContact O-N 2.65Å; L6-L8 PolarHBondContact O-N 3.39Å; L6-R9 PolarHBondContact O-N 2.97Å; L6-Q10 WeakPolarHBondContact O-CG 3.33Å; L6-Q10 PolarHBondContact O-N 3.15Å
7R98.5Very high97.7Very high85 Ų8570.9 Ų70.932%0.32132%0.322SS..Hα-helixtrans-56.3-50.1175.4-177.4-172.872.6145.10111.6R3 Q4 V5 R9 Q10 A11 Q157 D158R3-R7 WeakPolarHBondContact O-CB 3.39Å; R3-R7 PolarHBondContact O-N 3.24Å; Q4-R7 PolarHBondContact O-N 2.91Å; V5-R7 PolarHBondContact O-N 3.45Å; R7-R9 VanDerWaalsContact C-N 3.34Å; R7-R9 PolarHBondContact O-N 2.93Å; R7-Q10 PolarHBondContact O-N 3.28Å; R7-A11 PolarHBondContact O-N 3.47Å; R7-Q157 PolarHBondContact NH1-O 3.26Å; R7-Q157 VanDerWaalsContact NH1-O 3.1Å; R7-Q157 PolarHBondContact NH2-O 2.87Å; R7-D158 WeakPolarHBondContact CD-OD1 3.38Å; R7-D158 IonicContact CZ-OD1 2.6Å; R7-D158 IonicContact NE-OD1 3.84Å; R7-D158 IonicContact NH1-OD1 3.24Å; R7-D158 PolarHBondContact NH1-OD1 3.14Å; R7-D158 VanDerWaalsContact NH1-OD1 3.14Å
8L98.6Very high97.7Very high0 Ų074.7 Ų74.70%033%0.333CS..Hα-helixtrans-64.3-39.1178.6-90.865.1000112.6Q4 V5 L6 Q10 A11 F12 V104 A131 A132 I133 D158 A161Q4-L8 WeakPolarHBondContact O-CD1 3.35Å; Q4-L8 PolarHBondContact O-N 3.02Å; V5-L8 PolarHBondContact O-N 2.69Å; L6-L8 PolarHBondContact O-N 3.39Å; L8-Q10 VanDerWaalsContact C-N 3.34Å; L8-Q10 PolarHBondContact O-N 2.92Å; L8-A11 PolarHBondContact O-N 3.33Å; L8-F12 WeakPolarHBondContact O-CB 3.49Å; L8-F12 PolarHBondContact O-N 3Å; L8-V104 HydrophobicContact CB-CG1 4.27Å; L8-V104 HydrophobicContact CD2-CG1 4.45Å; L8-A131 HydrophobicContact CB-CB 4.29Å; L8-A132 WeakPolarHBondContact CD2-O 3.33Å; L8-I133 HydrophobicContact CD2-CD1 4.09Å; L8-I133 HydrophobicContact CD2-CG1 3.33Å; L8-D158 VanDerWaalsContact CA-O 3.3Å; L8-D158 WeakPolarHBondContact CA-O 3.37Å; L8-D158 VanDerWaalsContact CD1-O 3.32Å; L8-D158 WeakPolarHBondContact CD1-O 3.32Å; L8-D158 VanDerWaalsContact CG-O 3.25Å; L8-D158 WeakPolarHBondContact CG-O 3.4Å; L8-A161 HydrophobicContact CD1-CB 4.08Å; L8-A161 HydrophobicContact CD2-CB 4.22Å
9R98.8Very high97.8Very high31 Ų3174.5 Ų74.512%0.11734%0.34CS..Hα-helixtrans-65.4-37.7176.6-168.4167.3-70.8-79.7-5.8111.9V5 L6 R7 R13 V104 R177 D179V5-R9 WeakPolarHBondContact O-CB 3.45Å; V5-R9 PolarHBondContact O-N 3.29Å; L6-R9 PolarHBondContact O-N 2.97Å; R7-R9 VanDerWaalsContact C-N 3.34Å; R7-R9 PolarHBondContact O-N 2.93Å; R9-R13 WeakPolarHBondContact O-CB 3.44Å; R9-R13 VanDerWaalsContact O-CG 3.22Å; R9-R13 WeakPolarHBondContact O-CG 3.48Å; R9-R13 PolarHBondContact O-N 3.43Å; R9-V104 HydrophobicContact CB-CG2 3.9Å; R9-V104 HydrophobicContact CG-CG2 4.25Å; R9-R177 PolarHBondContact NH2-O 3.1Å; R9-D179 IonicContact CZ-OD2 2.61Å; R9-D179 VanDerWaalsContact CZ-OD2 3.27Å; R9-D179 IonicContact NH1-OD1 3.44Å; R9-D179 PolarHBondContact NH1-OD1 3.36Å; R9-D179 IonicContact NH1-OD2 2.65Å; R9-D179 PolarHBondContact NH1-OD2 3.46Å; R9-D179 IonicContact NH2-OD1 3.85Å; R9-D179 IonicContact NH2-OD2 2.82Å; R9-D179 PolarHBondContact NH2-OD2 3.22Å
10Q98.7Very high97.8Very high131 Ų13173.8 Ų73.861%0.61234%0.338SS*.Hα-helixtrans-66-45.4173.3-73173.4-1.400111.3L6 R7 L8 F12 R13 S14L6-Q10 WeakPolarHBondContact O-CG 3.33Å; L6-Q10 PolarHBondContact O-N 3.15Å; R7-Q10 PolarHBondContact O-N 3.28Å; L8-Q10 VanDerWaalsContact C-N 3.34Å; L8-Q10 PolarHBondContact O-N 2.92Å; Q10-F12 PolarHBondContact O-N 3.37Å; Q10-R13 PolarHBondContact O-N 3.16Å; Q10-S14 PolarHBondContact O-N 3.26Å
11A98.8Very high97.9Very high11 Ų1179.4 Ų79.49%0.09136%0.357CS..Hα-helixtrans-59.1-44175.200000112.6R7 L8 S14 R16 D158 L159R7-A11 PolarHBondContact O-N 3.47Å; L8-A11 PolarHBondContact O-N 3.33Å; A11-S14 WeakPolarHBondContact O-CB 3.25Å; A11-S14 PolarHBondContact O-N 3.42Å; A11-S14 PolarHBondContact O-OG 2.9Å; A11-R16 VanDerWaalsContact CB-NH2 3.33Å; A11-D158 HydrophobicContact CB-CB 4.07Å; A11-D158 WeakPolarHBondContact CB-O 2.93Å; A11-L159 HydrophobicContact CB-CD2 3.87Å; A11-L159 HydrophobicContact CB-CG 4.11Å
12F98.9Very high98.2Very high25 Ų2577.6 Ų77.611%0.1135%0.347CS..Hα-helixtrans-60.5-45.8173.6174.6-104.8000111.7L8 Q10 S14 G15 P101 A131 L159L8-F12 WeakPolarHBondContact O-CB 3.49Å; L8-F12 PolarHBondContact O-N 3Å; Q10-F12 PolarHBondContact O-N 3.37Å; F12-S14 PolarHBondContact O-N 3.35Å; F12-G15 PolarHBondContact O-N 2.98Å; F12-P101 HydrophobicContact CE2-CB 3.81Å; F12-P101 HydrophobicContact CE2-CG 3.79Å; F12-P101 HydrophobicContact CZ-CB 4.14Å; F12-P101 HydrophobicContact CZ-CG 3.95Å; F12-A131 HydrophobicContact CB-CB 4.08Å; F12-L159 HydrophobicContact CB-CD2 4.42Å
13R98.8Very high98.3Very high186 Ų18672.7 Ų72.770%0.70232%0.323SS*.Hα-helixtrans-63-24.2179.7-77.1173176.7178-0.3113.9R9 Q10 G15R9-R13 WeakPolarHBondContact O-CB 3.44Å; R9-R13 VanDerWaalsContact O-CG 3.22Å; R9-R13 WeakPolarHBondContact O-CG 3.48Å; R9-R13 PolarHBondContact O-N 3.43Å; Q10-R13 PolarHBondContact O-N 3.16Å; R13-G15 PolarHBondContact O-N 3.15Å; R13-G15 VanDerWaalsContact O-N 3.16Å
14S98.6Very high98.4Very high77 Ų7763.9 Ų63.954%0.53829%0.292SS..THydrogen-bonded Turntrans-60.1-20.7171.278.40000112.9Q10 A11 F12 R16Q10-S14 PolarHBondContact O-N 3.26Å; A11-S14 WeakPolarHBondContact O-CB 3.25Å; A11-S14 PolarHBondContact O-N 3.42Å; A11-S14 PolarHBondContact O-OG 2.9Å; F12-S14 PolarHBondContact O-N 3.35Å; S14-R16 VanDerWaalsContact C-N 3.27Å; S14-R16 PolarHBondContact O-N 3.28Å; S14-R16 WeakPolarHBondContact OG-CG 3.5Å; S14-R16 PolarHBondContact OG-N 3.12Å
15G98.4Very high98.6Very high17 Ų1765.4 Ų65.418%0.17530%0.3CS..THydrogen-bonded Turntrans80.40.9-179.500000114.3F12 R13 S17 R18 P19F12-G15 PolarHBondContact O-N 2.98Å; R13-G15 PolarHBondContact O-N 3.15Å; R13-G15 VanDerWaalsContact O-N 3.16Å; G15-S17 PolarHBondContact O-N 2.8Å; G15-R18 WeakPolarHBondContact O-CB 3.42Å; G15-R18 WeakPolarHBondContact O-CG 3.35Å; G15-R18 PolarHBondContact O-N 2.86Å; G15-P19 WeakPolarHBondContact O-CD 3.31Å
16R97.9Very high98.6Very high81 Ų8166 Ų6631%0.30630%0.302SS..THydrogen-bonded Turntrans-64.2-21.8-176.174.4-172.2173.2169.72.2114.7A11 S14 R18 P19 F22 D156 L159A11-R16 VanDerWaalsContact CB-NH2 3.33Å; S14-R16 VanDerWaalsContact C-N 3.27Å; S14-R16 PolarHBondContact O-N 3.28Å; S14-R16 WeakPolarHBondContact OG-CG 3.5Å; S14-R16 PolarHBondContact OG-N 3.12Å; R16-R18 VanDerWaalsContact C-N 3.34Å; R16-P19 WeakPolarHBondContact O-CD 3.43Å; R16-F22 WeakPolarHBondContact O-CB 3.29Å; R16-F22 WeakPolarHBondContact O-CD1 3.21Å; R16-F22 WeakPolarHBondContact O-CG 3.46Å; R16-D156 VanDerWaalsContact CZ-CG 3.47Å; R16-D156 IonicContact CZ-OD1 3.59Å; R16-D156 VanDerWaalsContact CZ-OD1 3.27Å; R16-D156 IonicContact CZ-OD2 3.34Å; R16-D156 IonicContact NE-OD2 3.27Å; R16-D156 PolarHBondContact NE-OD2 3.29Å; R16-D156 IonicContact NH1-OD1 2.63Å; R16-D156 IonicContact NH1-OD2 2.64Å; R16-D156 PolarHBondContact NH1-OD2 3.15Å; R16-D156 VanDerWaalsContact NH2-CG 3.25Å; R16-D156 IonicContact NH2-OD1 3.15Å; R16-D156 PolarHBondContact NH2-OD1 2.9Å; R16-D156 IonicContact NH2-OD2 3.05Å; R16-D156 PolarHBondContact NH2-OD2 3.25Å; R16-L159 HydrophobicContact CG-CD1 3.86Å
17S98.6Very high98.7Very high0 Ų062 Ų620%028%0.281CS..THydrogen-bonded Turntrans-82.2-8.1172.565.40000113.7G15 R23 G129G15-S17 PolarHBondContact O-N 2.8Å; S17-R23 WeakPolarHBondContact O-CG 3.48Å; S17-R23 PolarHBondContact O-NE 3.2Å; S17-G129 WeakPolarHBondContact CB-O 3.32Å; S17-G129 PolarHBondContact OG-O 2.92Å
18R98.4Very high98.7Very high139 Ų13962.2 Ų62.253%0.52529%0.286SS..SBendtrans-68.6-46.3-179.5-64.9177.6173.5-86.8-3.1113.1G15 R16 L20 R23G15-R18 WeakPolarHBondContact O-CB 3.42Å; G15-R18 WeakPolarHBondContact O-CG 3.35Å; G15-R18 PolarHBondContact O-N 2.86Å; R16-R18 VanDerWaalsContact C-N 3.34Å; R18-L20 PolarHBondContact O-N 2.88Å; R18-R23 PolarHBondContact O-NE 2.8Å; R18-R23 PolarHBondContact O-NH2 3.43Å
19P98.8Very high98.7Very high71 Ų7162.4 Ų62.446%0.46129%0.287SS..SBendtrans-62.5131.8-177.7-22.935.1000112G15 R16 R21 F22 R23G15-P19 WeakPolarHBondContact O-CD 3.31Å; R16-P19 WeakPolarHBondContact O-CD 3.43Å; P19-R21 PolarHBondContact O-N 3.43Å; P19-F22 PolarHBondContact O-N 3.1Å; P19-R23 PolarHBondContact O-N 3.29Å
20L98.6Very high98.7Very high60 Ų6061 Ų6131%0.31428%0.282SS..Hα-helixtrans-52.1-42.5177.417661.9000112.3R18 F22 R23 L24 L75 P76R18-L20 PolarHBondContact O-N 2.88Å; L20-F22 VanDerWaalsContact C-N 3.31Å; L20-F22 PolarHBondContact O-N 2.89Å; L20-R23 PolarHBondContact O-N 3.14Å; L20-R23 VanDerWaalsContact O-N 3.14Å; L20-L24 HydrophobicContact CD1-CD1 4.34Å; L20-L24 HydrophobicContact CD1-CG 4.29Å; L20-L24 HydrophobicContact CG-CD1 4.05Å; L20-L24 HydrophobicContact CG-CG 4.45Å; L20-L24 WeakPolarHBondContact O-CG 3.37Å; L20-L24 PolarHBondContact O-N 2.64Å; L20-L75 HydrophobicContact CD1-CB 4.31Å; L20-L75 HydrophobicContact CD1-CD2 3.69Å; L20-L75 HydrophobicContact CD1-CG 3.49Å; L20-L75 VanDerWaalsContact CD1-CG 3.49Å; L20-P76 HydrophobicContact CD2-CB 3.97Å; L20-P76 HydrophobicContact CD2-CG 4.13Å
21R98.8Very high98.7Very high191 Ų19158.1 Ų58.172%0.72127%0.266SS*.Hα-helixtrans-55.6-42.9178.1-178.2178.5178170.32.4112.7P19 L24 Q25P19-R21 PolarHBondContact O-N 3.43Å; R21-L24 PolarHBondContact O-N 3.42Å; R21-Q25 VanDerWaalsContact O-CG 3.28Å; R21-Q25 WeakPolarHBondContact O-CG 3.45Å; R21-Q25 PolarHBondContact O-N 3.01Å; R21-Q25 VanDerWaalsContact O-N 3.07Å
22F98.9Very high98.7Very high34 Ų3462.9 Ų62.915%0.14928%0.281CS..Hα-helixtrans-64.7-43179.3179.9-89.9000110.8R16 P19 L20 L24 Q25 Q26 D156 L159R16-F22 WeakPolarHBondContact O-CB 3.29Å; R16-F22 WeakPolarHBondContact O-CD1 3.21Å; R16-F22 WeakPolarHBondContact O-CG 3.46Å; P19-F22 PolarHBondContact O-N 3.1Å; L20-F22 VanDerWaalsContact C-N 3.31Å; L20-F22 PolarHBondContact O-N 2.89Å; F22-L24 PolarHBondContact O-N 3.48Å; F22-Q25 WeakPolarHBondContact O-CB 3.34Å; F22-Q25 PolarHBondContact O-N 3.22Å; F22-Q26 HydrophobicContact CD1-CG 3.99Å; F22-Q26 HydrophobicContact CE1-CG 3.57Å; F22-Q26 HydrophobicContact CZ-CG 3.88Å; F22-Q26 WeakPolarHBondContact O-CG 3.08Å; F22-Q26 PolarHBondContact O-N 2.68Å; F22-D156 HydrophobicContact CZ-CB 3.99Å; F22-L159 HydrophobicContact CE1-CD1 3.49Å; F22-L159 VanDerWaalsContact CE1-CD1 3.49Å; F22-L159 HydrophobicContact CZ-CD1 3.61Å
23R98.9Very high98.7Very high23 Ų2361.7 Ų61.79%0.08728%0.276CS..Hα-helixtrans-61.8-45.2179-52.3-176.4-160.1-177.13.8111.7S17 R18 P19 L20 Q25 Q26 L27 L75 A127 A128S17-R23 WeakPolarHBondContact O-CG 3.48Å; S17-R23 PolarHBondContact O-NE 3.2Å; R18-R23 PolarHBondContact O-NE 2.8Å; R18-R23 PolarHBondContact O-NH2 3.43Å; P19-R23 PolarHBondContact O-N 3.29Å; L20-R23 PolarHBondContact O-N 3.14Å; L20-R23 VanDerWaalsContact O-N 3.14Å; R23-Q25 VanDerWaalsContact C-N 3.34Å; R23-Q25 PolarHBondContact O-N 3.02Å; R23-Q26 PolarHBondContact O-N 3.32Å; R23-L27 WeakPolarHBondContact O-CG 3.25Å; R23-L27 PolarHBondContact O-N 2.96Å; R23-L75 HydrophobicContact CB-CD2 3.98Å; R23-A127 WeakPolarHBondContact CD-O 3.39Å; R23-A127 PolarHBondContact NH1-O 3.16Å; R23-A128 PolarHBondContact NH1-O 3.4Å
24L98.9Very high98.7Very high38 Ų3852.9 Ų52.920%0.19924%0.243CC..Hα-helixtrans-59.2-44175.6-68170.9000111.7L20 R21 F22 Q26 L27 E28 L72 L75L20-L24 HydrophobicContact CD1-CD1 4.34Å; L20-L24 HydrophobicContact CD1-CG 4.29Å; L20-L24 HydrophobicContact CG-CD1 4.05Å; L20-L24 HydrophobicContact CG-CG 4.45Å; L20-L24 WeakPolarHBondContact O-CG 3.37Å; L20-L24 PolarHBondContact O-N 2.64Å; R21-L24 PolarHBondContact O-N 3.42Å; F22-L24 PolarHBondContact O-N 3.48Å; L24-Q26 VanDerWaalsContact C-N 3.32Å; L24-Q26 PolarHBondContact O-N 2.84Å; L24-L27 PolarHBondContact O-N 3.27Å; L24-E28 WeakPolarHBondContact O-CG 3.48Å; L24-E28 PolarHBondContact O-N 2.9Å; L24-L72 HydrophobicContact CB-CD2 4.47Å; L24-L72 HydrophobicContact CD2-CD2 3.77Å; L24-L75 HydrophobicContact CD2-CB 4.33Å; L24-L75 HydrophobicContact CD2-CD2 4.05Å; L24-L75 HydrophobicContact CG-CD2 4.42Å
25Q98.9Very high98.7Very high83 Ų8354.2 Ų54.239%0.38824%0.241SC..Hα-helixtrans-60.9-38.7176.5-72.9169.8-24.100112.8R21 F22 R23 A29R21-Q25 VanDerWaalsContact O-CG 3.28Å; R21-Q25 WeakPolarHBondContact O-CG 3.45Å; R21-Q25 PolarHBondContact O-N 3.01Å; R21-Q25 VanDerWaalsContact O-N 3.07Å; F22-Q25 WeakPolarHBondContact O-CB 3.34Å; F22-Q25 PolarHBondContact O-N 3.22Å; R23-Q25 VanDerWaalsContact C-N 3.34Å; R23-Q25 PolarHBondContact O-N 3.02Å; Q25-A29 VanDerWaalsContact O-CB 3.31Å; Q25-A29 WeakPolarHBondContact O-CB 3.48Å; Q25-A29 PolarHBondContact O-N 2.79Å
26Q98.9Very high98.8Very high19 Ų1958.6 Ų58.69%0.08926%0.257CS..Hα-helixtrans-69.6-38.3176.8-63.5-62.5-58.600111.7F22 R23 L24 A29 L30 I126 L155 Y160F22-Q26 HydrophobicContact CD1-CG 3.99Å; F22-Q26 HydrophobicContact CE1-CG 3.57Å; F22-Q26 HydrophobicContact CZ-CG 3.88Å; F22-Q26 WeakPolarHBondContact O-CG 3.08Å; F22-Q26 PolarHBondContact O-N 2.68Å; R23-Q26 PolarHBondContact O-N 3.32Å; L24-Q26 VanDerWaalsContact C-N 3.32Å; L24-Q26 PolarHBondContact O-N 2.84Å; Q26-A29 PolarHBondContact O-N 3.5Å; Q26-L30 PolarHBondContact O-N 3.42Å; Q26-I126 HydrophobicContact CB-CG2 3.79Å; Q26-L155 HydrophobicContact CB-CD2 4.46Å; Q26-L155 VanDerWaalsContact O-CD2 3.25Å; Q26-L155 WeakPolarHBondContact O-CD2 3.36Å; Q26-Y160 HydrophobicContact CB-CE2 4.29Å; Q26-Y160 HydrophobicContact CG-CE2 3.85Å
27L98.9Very high98.8Very high0 Ų057.2 Ų57.20%025%0.251CS..Hα-helixtrans-65.9-42174-68.9173.3000112R23 L24 A29 L30 R31 I68 M71 L72 L75 V123 I126 A127R23-L27 WeakPolarHBondContact O-CG 3.25Å; R23-L27 PolarHBondContact O-N 2.96Å; L24-L27 PolarHBondContact O-N 3.27Å; L27-A29 VanDerWaalsContact C-N 3.33Å; L27-A29 PolarHBondContact O-N 2.88Å; L27-L30 PolarHBondContact O-N 3.02Å; L27-R31 PolarHBondContact O-N 2.91Å; L27-I68 HydrophobicContact CB-CG2 4.42Å; L27-M71 HydrophobicContact CD1-CB 3.91Å; L27-L72 HydrophobicContact CB-CD2 3.72Å; L27-L72 HydrophobicContact CB-CG 4.21Å; L27-L72 HydrophobicContact CD1-CD2 4.27Å; L27-L75 HydrophobicContact CD1-CD2 4.11Å; L27-V123 HydrophobicContact CD2-CB 4.46Å; L27-V123 HydrophobicContact CD2-CG1 3.99Å; L27-I126 HydrophobicContact CD2-CB 4.15Å; L27-I126 HydrophobicContact CD2-CG2 3.89Å; L27-I126 HydrophobicContact CG-CG2 3.91Å; L27-A127 HydrophobicContact CD1-CB 4.36Å
28E98.9Very high98.8Very high90 Ų9060.5 Ų60.542%0.42127%0.267SS..Hα-helixtrans-62.8-39.4173-73.3171.8175.400112L24 R31 R32 L72L24-E28 WeakPolarHBondContact O-CG 3.48Å; L24-E28 PolarHBondContact O-N 2.9Å; E28-R31 PolarHBondContact O-N 3.09Å; E28-R32 WeakPolarHBondContact O-CG 3.48Å; E28-R32 PolarHBondContact O-N 3.35Å; E28-L72 HydrophobicContact CG-CD1 4.27Å; E28-L72 HydrophobicContact CG-CD2 3.97Å
29A98.9Very high98.8Very high4 Ų461.2 Ų61.23%0.03327%0.274CS..Hα-helixtrans-66-38.8175.100000112.2Q25 Q26 L27 R32 M33 Y154 L155Q25-A29 VanDerWaalsContact O-CB 3.31Å; Q25-A29 WeakPolarHBondContact O-CB 3.48Å; Q25-A29 PolarHBondContact O-N 2.79Å; Q26-A29 PolarHBondContact O-N 3.5Å; L27-A29 VanDerWaalsContact C-N 3.33Å; L27-A29 PolarHBondContact O-N 2.88Å; A29-R32 PolarHBondContact O-N 3.24Å; A29-M33 PolarHBondContact O-N 2.91Å; A29-Y154 WeakPolarHBondContact CB-O 3.48Å; A29-Y154 WeakPolarHBondContact O-CD1 3.36Å; A29-L155 HydrophobicContact CB-CD2 3.98Å
30L98.9Very high98.8Very high0 Ų061.3 Ų61.30%027%0.268CS..Hα-helixtrans-63.9-42172.7-174.159.9000111.4Q26 L27 R32 M33 V34 I68 M119 V123 I126 L155Q26-L30 PolarHBondContact O-N 3.42Å; L27-L30 PolarHBondContact O-N 3.02Å; L30-R32 VanDerWaalsContact C-N 3.35Å; L30-R32 PolarHBondContact O-N 2.88Å; L30-M33 HydrophobicContact CD1-CE 3.52Å; L30-M33 HydrophobicContact CD1-SD 4.25Å; L30-M33 WeakPolarHBondContact O-CB 3.31Å; L30-M33 PolarHBondContact O-N 3.25Å; L30-V34 VanDerWaalsContact O-CG2 3.31Å; L30-V34 WeakPolarHBondContact O-CG2 3.49Å; L30-V34 PolarHBondContact O-N 2.97Å; L30-I68 HydrophobicContact CB-CD1 4.41Å; L30-I68 HydrophobicContact CD2-CD1 4.14Å; L30-I68 HydrophobicContact CD2-CG1 4.44Å; L30-I68 HydrophobicContact CG-CD1 3.96Å; L30-M119 HydrophobicContact CD1-SD 4.25Å; L30-V123 HydrophobicContact CD2-CG2 3.56Å; L30-I126 HydrophobicContact CD2-CD1 4.41Å; L30-L155 HydrophobicContact CB-CD2 4.18Å; L30-L155 HydrophobicContact CD1-CD1 4.49Å
31R98.9Very high98.8Very high72 Ų7258.6 Ų58.627%0.27225%0.254SS..Hα-helixtrans-59.4-45.6174-168.4171.661.6-172.6-2.8111.6L27 E28 M33 V34 Q35 L65 I68 D69L27-R31 PolarHBondContact O-N 2.91Å; E28-R31 PolarHBondContact O-N 3.09Å; R31-M33 PolarHBondContact O-N 3.38Å; R31-V34 PolarHBondContact O-N 2.79Å; R31-Q35 WeakPolarHBondContact O-CG 3.46Å; R31-Q35 PolarHBondContact O-N 3.43Å; R31-L65 HydrophobicContact CG-CD2 3.97Å; R31-I68 HydrophobicContact CB-CD1 4.38Å; R31-I68 HydrophobicContact CB-CG2 3.98Å; R31-I68 HydrophobicContact CG-CG2 4.49Å; R31-D69 WeakPolarHBondContact CD-OD1 3.47Å; R31-D69 IonicContact CZ-OD1 2.93Å; R31-D69 IonicContact NH1-OD1 3.2Å; R31-D69 PolarHBondContact NH1-OD1 2.87Å
32R98.8Very high98.8Very high110 Ų11049.8 Ų49.842%0.41522%0.221SC..Hα-helixtrans-60.3-42.4175.1-76.8-170.6-57.3101.71.2112.2E28 A29 L30 V34 Q35 E36 Y154E28-R32 WeakPolarHBondContact O-CG 3.48Å; E28-R32 PolarHBondContact O-N 3.35Å; A29-R32 PolarHBondContact O-N 3.24Å; L30-R32 VanDerWaalsContact C-N 3.35Å; L30-R32 PolarHBondContact O-N 2.88Å; R32-V34 VanDerWaalsContact C-N 3.32Å; R32-V34 PolarHBondContact O-N 2.76Å; R32-Q35 PolarHBondContact O-N 3.01Å; R32-E36 IonicContact NH1-OE1 2.85Å; R32-E36 VanDerWaalsContact O-CB 3.25Å; R32-E36 WeakPolarHBondContact O-CB 3.38Å; R32-E36 VanDerWaalsContact O-CG 3.27Å; R32-E36 WeakPolarHBondContact O-CG 3.44Å; R32-E36 PolarHBondContact O-N 3.06Å; R32-Y154 HydrophobicContact CB-CD1 4.28Å; R32-Y154 HydrophobicContact CB-CE1 4.2Å
33M98.9Very high98.8Very high0 Ų050.5 Ų50.50%023%0.233CC..Hα-helixtrans-55.7-48.6174.7-174.2-170.68200111.3A29 L30 R31 Q35 R37 F115 M119 L150 Y154A29-M33 PolarHBondContact O-N 2.91Å; L30-M33 HydrophobicContact CD1-CE 3.52Å; L30-M33 HydrophobicContact CD1-SD 4.25Å; L30-M33 WeakPolarHBondContact O-CB 3.31Å; L30-M33 PolarHBondContact O-N 3.25Å; R31-M33 PolarHBondContact O-N 3.38Å; M33-Q35 PolarHBondContact O-N 2.91Å; M33-R37 VanDerWaalsContact O-CB 3.24Å; M33-R37 WeakPolarHBondContact O-CB 3.25Å; M33-R37 WeakPolarHBondContact O-CG 3.49Å; M33-R37 PolarHBondContact O-N 2.64Å; M33-F115 HydrophobicContact CE-CE2 4.46Å; M33-F115 HydrophobicContact CE-CZ 4.46Å; M33-M119 HydrophobicContact CE-SD 4.4Å; M33-L150 HydrophobicContact CG-CB 4.09Å; M33-L150 HydrophobicContact CG-CD1 4.42Å; M33-L150 HydrophobicContact SD-CB 3.86Å; M33-Y154 HydrophobicContact CB-CD1 3.75Å; M33-Y154 HydrophobicContact CB-CD2 3.65Å; M33-Y154 HydrophobicContact CB-CE1 4.1Å; M33-Y154 HydrophobicContact CB-CE2 4.02Å; M33-Y154 HydrophobicContact CB-CG 3.53Å; M33-Y154 HydrophobicContact CG-CD2 3.51Å; M33-Y154 HydrophobicContact CG-CE2 3.79Å; M33-Y154 HydrophobicContact CG-CG 3.93Å; M33-Y154 HydrophobicContact SD-CD2 4.29Å
34V98.8Very high98.8Very high1 Ų149.9 Ų49.91%0.00623%0.233CC..Hα-helixtrans-62.2-43.2-179.7179.20000111.2L30 R31 R32 E38 V61 I64 L65 I68 F115L30-V34 VanDerWaalsContact O-CG2 3.31Å; L30-V34 WeakPolarHBondContact O-CG2 3.49Å; L30-V34 PolarHBondContact O-N 2.97Å; R31-V34 PolarHBondContact O-N 2.79Å; R32-V34 VanDerWaalsContact C-N 3.32Å; R32-V34 PolarHBondContact O-N 2.76Å; V34-E38 VanDerWaalsContact O-CA 3.26Å; V34-E38 WeakPolarHBondContact O-CA 3.46Å; V34-E38 WeakPolarHBondContact O-CB 3.3Å; V34-E38 PolarHBondContact O-N 2.88Å; V34-E38 VanDerWaalsContact O-N 3.17Å; V34-V61 HydrophobicContact CG1-CG1 3.72Å; V34-I64 HydrophobicContact CG2-CG2 4.04Å; V34-L65 HydrophobicContact CB-CD2 3.98Å; V34-L65 HydrophobicContact CG1-CD1 4.41Å; V34-L65 HydrophobicContact CG1-CD2 3.68Å; V34-L65 HydrophobicContact CG1-CG 3.95Å; V34-I68 HydrophobicContact CG2-CD1 4.49Å; V34-F115 HydrophobicContact CG2-CE1 4.29Å; V34-F115 HydrophobicContact CG2-CZ 3.96Å
35Q98.6Very high98.8Very high106 Ų10648 Ų4850%0.49522%0.223SC..Hα-helixtrans-74.4-46.7-177.2-70.2173.8-34.700113.1R31 R32 M33 L65R31-Q35 WeakPolarHBondContact O-CG 3.46Å; R31-Q35 PolarHBondContact O-N 3.43Å; R32-Q35 PolarHBondContact O-N 3.01Å; M33-Q35 PolarHBondContact O-N 2.91Å; Q35-L65 HydrophobicContact CG-CD2 4.26Å
36E98.8Very high98.8Very high109 Ų10945.2 Ų45.251%0.50921%0.214SC..Hα-helixtrans-73.2-31-176.2-67170.1-159.100112R32 Y154R32-E36 IonicContact NH1-OE1 2.85Å; R32-E36 VanDerWaalsContact O-CB 3.25Å; R32-E36 WeakPolarHBondContact O-CB 3.38Å; R32-E36 VanDerWaalsContact O-CG 3.27Å; R32-E36 WeakPolarHBondContact O-CG 3.44Å; R32-E36 PolarHBondContact O-N 3.06Å; E36-Y154 WeakPolarHBondContact OE2-CE1 3.15Å; E36-Y154 PolarHBondContact OE2-OH 2.77Å
37R98.7Very high98.7Very high51 Ų5147 Ų4719%0.19223%0.232CC..THydrogen-bonded Turntrans-111.817.8-174.6-44.5-58.5-58.2-100.3-8.4112.7M33 K39 E40 I41 L150 Y154M33-R37 VanDerWaalsContact O-CB 3.24Å; M33-R37 WeakPolarHBondContact O-CB 3.25Å; M33-R37 WeakPolarHBondContact O-CG 3.49Å; M33-R37 PolarHBondContact O-N 2.64Å; R37-K39 VanDerWaalsContact C-N 3.29Å; R37-K39 PolarHBondContact O-N 3.5Å; R37-E40 IonicContact CZ-OE2 2.85Å; R37-E40 IonicContact NE-OE2 2.81Å; R37-E40 PolarHBondContact NE-OE2 3.23Å; R37-E40 IonicContact NH2-OE2 3.53Å; R37-E40 PolarHBondContact NH2-OE2 3.02Å; R37-E40 PolarHBondContact O-N 2.89Å; R37-E40 VanDerWaalsContact O-N 3.13Å; R37-I41 HydrophobicContact CB-CD1 4.43Å; R37-I41 WeakPolarHBondContact O-CG1 3.17Å; R37-I41 PolarHBondContact O-N 3.25Å; R37-I41 VanDerWaalsContact O-N 3.09Å; R37-L150 HydrophobicContact CB-CD1 3.63Å; R37-L150 HydrophobicContact CB-CD2 4.29Å; R37-L150 HydrophobicContact CG-CD1 4.04Å; R37-L150 HydrophobicContact CG-CD2 3.94Å; R37-Y154 WeakPolarHBondContact CD-OH 3.46Å; R37-Y154 HydrophobicContact CG-CE2 3.97Å; R37-Y154 WeakPolarHBondContact CG-OH 3.45Å
38E98.6Very high98.7Very high69 Ų6947.5 Ų47.532%0.32224%0.235SC..Hα-helixtrans-49.3-49.6-176.3-176.2-175.9110.700111.8V34 E40 I41 L42 Y57V34-E38 VanDerWaalsContact O-CA 3.26Å; V34-E38 WeakPolarHBondContact O-CA 3.46Å; V34-E38 WeakPolarHBondContact O-CB 3.3Å; V34-E38 PolarHBondContact O-N 2.88Å; V34-E38 VanDerWaalsContact O-N 3.17Å; E38-E40 VanDerWaalsContact C-N 3.35Å; E38-E40 PolarHBondContact O-N 3.01Å; E38-I41 PolarHBondContact O-N 3.3Å; E38-L42 HydrophobicContact CG-CD1 3.87Å; E38-L42 HydrophobicContact CG-CG 4.27Å; E38-L42 VanDerWaalsContact O-CG 3.3Å; E38-L42 WeakPolarHBondContact O-CG 3.33Å; E38-L42 PolarHBondContact O-N 3.41Å; E38-Y57 VanDerWaalsContact CD-CE2 3.48Å; E38-Y57 HydrophobicContact CG-CD2 4.28Å; E38-Y57 HydrophobicContact CG-CE2 4.19Å; E38-Y57 VanDerWaalsContact OE2-CE2 3.29Å; E38-Y57 WeakPolarHBondContact OE2-CE2 3.5Å
39K98.5Very high98.7Very high155 Ų15543.3 Ų43.367%0.67422%0.215SC*.Hα-helixtrans-59.8-42-177.5-172.3177.9-179.9179.20112.8R37 A43R37-K39 VanDerWaalsContact C-N 3.29Å; R37-K39 PolarHBondContact O-N 3.5Å; K39-A43 VanDerWaalsContact O-CB 3.3Å; K39-A43 WeakPolarHBondContact O-CB 3.42Å; K39-A43 PolarHBondContact O-N 3.4Å
40E98.7Very high98.7Very high73 Ų7345.5 Ų45.534%0.34123%0.23SC..Hα-helixtrans-72.5-35178.9-63.3106.2-138.200112.2R37 E38 A44 I146R37-E40 IonicContact CZ-OE2 2.85Å; R37-E40 IonicContact NE-OE2 2.81Å; R37-E40 PolarHBondContact NE-OE2 3.23Å; R37-E40 IonicContact NH2-OE2 3.53Å; R37-E40 PolarHBondContact NH2-OE2 3.02Å; R37-E40 PolarHBondContact O-N 2.89Å; R37-E40 VanDerWaalsContact O-N 3.13Å; E38-E40 VanDerWaalsContact C-N 3.35Å; E38-E40 PolarHBondContact O-N 3.01Å; E40-A44 WeakPolarHBondContact O-CB 3.43Å; E40-A44 PolarHBondContact O-N 3.04Å; E40-I146 HydrophobicContact CB-CD1 4.07Å; E40-I146 HydrophobicContact CB-CG1 4.3Å
41I98.8Very high98.6Very high2 Ų245.8 Ų45.81%0.0123%0.231CC..Hα-helixtrans-62.8-49.5174.3-67.1164.1000110R37 E38 A43 A44 I45 F115 L150R37-I41 HydrophobicContact CB-CD1 4.43Å; R37-I41 WeakPolarHBondContact O-CG1 3.17Å; R37-I41 PolarHBondContact O-N 3.25Å; R37-I41 VanDerWaalsContact O-N 3.09Å; E38-I41 PolarHBondContact O-N 3.3Å; I41-A43 PolarHBondContact O-N 3.44Å; I41-A44 PolarHBondContact O-N 3.36Å; I41-I45 HydrophobicContact CG2-CD1 3.87Å; I41-I45 WeakPolarHBondContact O-CG1 3.38Å; I41-I45 PolarHBondContact O-N 3Å; I41-I45 VanDerWaalsContact O-N 3.09Å; I41-F115 HydrophobicContact CD1-CE2 4.09Å; I41-F115 HydrophobicContact CD1-CZ 3.93Å; I41-F115 HydrophobicContact CG1-CE2 4.32Å; I41-F115 HydrophobicContact CG2-CD1 4.25Å; I41-F115 HydrophobicContact CG2-CD2 3.9Å; I41-F115 HydrophobicContact CG2-CE1 4.24Å; I41-F115 HydrophobicContact CG2-CE2 3.9Å; I41-F115 HydrophobicContact CG2-CG 4.08Å; I41-F115 HydrophobicContact CG2-CZ 4.08Å; I41-L150 HydrophobicContact CD1-CD1 4.36Å; I41-L150 HydrophobicContact CG1-CD1 4.07Å
42L98.8Very high98.5Very high7 Ų743.4 Ų43.44%0.03723%0.226CC..Hα-helixtrans-61.7-43.7178.7-67.1176.7000111.6E38 A44 I45 A46 E53 A56 Y57 V61E38-L42 HydrophobicContact CG-CD1 3.87Å; E38-L42 HydrophobicContact CG-CG 4.27Å; E38-L42 VanDerWaalsContact O-CG 3.3Å; E38-L42 WeakPolarHBondContact O-CG 3.33Å; E38-L42 PolarHBondContact O-N 3.41Å; L42-A44 VanDerWaalsContact C-N 3.32Å; L42-A44 PolarHBondContact O-N 3.09Å; L42-I45 PolarHBondContact O-N 2.94Å; L42-A46 VanDerWaalsContact O-CB 3.24Å; L42-A46 WeakPolarHBondContact O-CB 3.36Å; L42-A46 PolarHBondContact O-N 2.85Å; L42-E53 HydrophobicContact CB-CG 4.32Å; L42-E53 HydrophobicContact CD1-CB 4.35Å; L42-A56 HydrophobicContact CD2-CB 3.71Å; L42-Y57 HydrophobicContact CD1-CD2 4.24Å; L42-Y57 HydrophobicContact CD2-CD2 4.44Å; L42-V61 HydrophobicContact CD2-CG2 3.72Å
43A98.7Very high98.5Very high48 Ų4843.2 Ų43.240%0.39723%0.23SC..Hα-helixtrans-61.7-39.4177.700000112.5K39 I41 A46 A47K39-A43 VanDerWaalsContact O-CB 3.3Å; K39-A43 WeakPolarHBondContact O-CB 3.42Å; K39-A43 PolarHBondContact O-N 3.4Å; I41-A43 PolarHBondContact O-N 3.44Å; A43-A46 PolarHBondContact O-N 3.16Å; A43-A47 WeakPolarHBondContact O-CB 3.49Å; A43-A47 PolarHBondContact O-N 2.92Å
44A98.8Very high98.4Very high10 Ų1049.4 Ų49.48%0.08326%0.262CS..Hα-helixtrans-66-46.1177.300000112.2E40 I41 L42 A46 A47 D48 N142 I146E40-A44 WeakPolarHBondContact O-CB 3.43Å; E40-A44 PolarHBondContact O-N 3.04Å; I41-A44 PolarHBondContact O-N 3.36Å; L42-A44 VanDerWaalsContact C-N 3.32Å; L42-A44 PolarHBondContact O-N 3.09Å; A44-A46 VanDerWaalsContact C-N 3.33Å; A44-A46 PolarHBondContact O-N 3.47Å; A44-A47 PolarHBondContact O-N 3.43Å; A44-D48 PolarHBondContact O-N 3.44Å; A44-D48 VanDerWaalsContact O-N 3.1Å; A44-N142 HydrophobicContact CB-CB 4.05Å; A44-I146 HydrophobicContact CB-CB 4.32Å; A44-I146 HydrophobicContact CB-CG2 3.69Å
45I98.8Very high98.3Very high0 Ų050.7 Ų50.70%027%0.269CS..Hα-helixtrans-62.4-43.2176.5-63.2164.7000110.3I41 L42 A47 D48 L49 K51 A56 E60 F115I41-I45 HydrophobicContact CG2-CD1 3.87Å; I41-I45 WeakPolarHBondContact O-CG1 3.38Å; I41-I45 PolarHBondContact O-N 3Å; I41-I45 VanDerWaalsContact O-N 3.09Å; L42-I45 PolarHBondContact O-N 2.94Å; I45-A47 VanDerWaalsContact C-N 3.33Å; I45-A47 PolarHBondContact O-N 2.82Å; I45-D48 PolarHBondContact O-N 2.57Å; I45-L49 HydrophobicContact CG2-CD1 4.19Å; I45-L49 PolarHBondContact O-N 2.99Å; I45-K51 HydrophobicContact CG2-CD 4.26Å; I45-A56 HydrophobicContact CB-CB 4.27Å; I45-A56 HydrophobicContact CG2-CB 3.85Å; I45-E60 HydrophobicContact CD1-CB 4.41Å; I45-E60 WeakPolarHBondContact CG2-OE1 3.28Å; I45-F115 HydrophobicContact CD1-CB 3.81Å; I45-F115 HydrophobicContact CD1-CG 4.37Å; I45-F115 HydrophobicContact CG1-CB 4.41Å
46A98.3Very high98.3Very high24 Ų2445.6 Ų45.620%0.19825%0.245CC..Hα-helixtrans-60-42.817700000111.7L42 A43 A44 D48 S50 K51L42-A46 VanDerWaalsContact O-CB 3.24Å; L42-A46 WeakPolarHBondContact O-CB 3.36Å; L42-A46 PolarHBondContact O-N 2.85Å; A43-A46 PolarHBondContact O-N 3.16Å; A44-A46 VanDerWaalsContact C-N 3.33Å; A44-A46 PolarHBondContact O-N 3.47Å; A46-D48 PolarHBondContact O-N 3.18Å; A46-S50 WeakPolarHBondContact O-CA 3.4Å; A46-S50 PolarHBondContact O-N 3.25Å; A46-K51 WeakPolarHBondContact CA-O 3.37Å; A46-K51 WeakPolarHBondContact CB-O 3.27Å
47A98.6Very high98.3Very high56 Ų5644 Ų4446%0.46324%0.235SC..Hα-helixtrans-65.2-37.6177.900000112.9A43 A44 I45 N142A43-A47 WeakPolarHBondContact O-CB 3.49Å; A43-A47 PolarHBondContact O-N 2.92Å; A44-A47 PolarHBondContact O-N 3.43Å; I45-A47 VanDerWaalsContact C-N 3.33Å; I45-A47 PolarHBondContact O-N 2.82Å; A47-N142 HydrophobicContact CB-CB 4.21Å
48D98.8Very high98.2Very high11 Ų1144.5 Ų44.56%0.05925%0.246CC..Hα-helixtrans-73.3-42.8-179.9-70.2-31.3000112.3A44 I45 A46 S140 E141 N142 T143 I283A44-D48 PolarHBondContact O-N 3.44Å; A44-D48 VanDerWaalsContact O-N 3.1Å; I45-D48 PolarHBondContact O-N 2.57Å; A46-D48 PolarHBondContact O-N 3.18Å; D48-S140 VanDerWaalsContact CG-C 3.47Å; D48-S140 VanDerWaalsContact CG-CA 3.48Å; D48-S140 WeakPolarHBondContact OD2-CA 3.21Å; D48-S140 WeakPolarHBondContact OD2-CB 3.32Å; D48-E141 PolarHBondContact OD1-N 3.38Å; D48-N142 WeakPolarHBondContact OD1-CB 3.27Å; D48-N142 PolarHBondContact OD1-N 3.09Å; D48-N142 PolarHBondContact OD1-ND2 2.93Å; D48-N142 PolarHBondContact OD2-N 3.48Å; D48-T143 VanDerWaalsContact OD2-CB 3.31Å; D48-T143 WeakPolarHBondContact OD2-CB 3.41Å; D48-T143 PolarHBondContact OD2-N 3.34Å; D48-T143 PolarHBondContact OD2-OG1 3.01Å; D48-I283 WeakPolarHBondContact O-CD1 3.47Å
49L98.5Very high98Very high1 Ų143.2 Ų43.21%0.00524%0.24CC..Hα-helixtrans-109.9-3.9-168.9-64.4171.8000114.4I45 K51 N112 E280 R281 I283I45-L49 HydrophobicContact CG2-CD1 4.19Å; I45-L49 PolarHBondContact O-N 2.99Å; L49-K51 HydrophobicContact CB-CB 4.03Å; L49-K51 PolarHBondContact O-N 3.49Å; L49-N112 VanDerWaalsContact CD1-O 3.27Å; L49-N112 WeakPolarHBondContact CD1-O 3.48Å; L49-E280 WeakPolarHBondContact O-CB 3.47Å; L49-R281 PolarHBondContact O-N 3.17Å; L49-I283 HydrophobicContact CD2-CD1 3.91Å
50S98Very high98Very high51 Ų5135.8 Ų35.836%0.35721%0.208SC..  trans53.139.6-167.5-51.10000111.7A46A46-S50 WeakPolarHBondContact O-CA 3.4Å; A46-S50 PolarHBondContact O-N 3.25Å
51K97.1Very high98Very high5 Ų532.4 Ų32.42%0.02219%0.192CC..  trans-95.3137.3-177.2-172.7179.3-63.2175.20109.8I45 A46 L49 N55 A56 E60 N236 E280I45-K51 HydrophobicContact CG2-CD 4.26Å; A46-K51 WeakPolarHBondContact CA-O 3.37Å; A46-K51 WeakPolarHBondContact CB-O 3.27Å; L49-K51 HydrophobicContact CB-CB 4.03Å; L49-K51 PolarHBondContact O-N 3.49Å; K51-N55 HydrophobicContact CD-CB 4.15Å; K51-N55 HydrophobicContact CG-CB 3.67Å; K51-A56 HydrophobicContact CD-CB 3.93Å; K51-A56 HydrophobicContact CG-CB 4.25Å; K51-E60 IonicContact NZ-OE1 3.56Å; K51-E60 PolarHBondContact NZ-OE1 3.29Å; K51-N236 WeakPolarHBondContact CE-OD1 3.13Å; K51-N236 PolarHBondContact NZ-OD1 3.35Å; K51-E280 HydrophobicContact CB-CG 3.84Å; K51-E280 HydrophobicContact CG-CG 3.99Å
52S97.8Very high97.9Very high22 Ų2236.4 Ų36.415%0.15421%0.213CC..  trans-61.9151.7173.6680000111L54 N55 A56 P277S52-L54 PolarHBondContact O-N 2.97Å; S52-N55 PolarHBondContact O-N 3.26Å; S52-N55 WeakPolarHBondContact OG-CB 3.39Å; S52-N55 PolarHBondContact OG-N 3.38Å; S52-N55 VanDerWaalsContact OG-N 3.16Å; S52-A56 WeakPolarHBondContact O-CB 3.43Å; S52-A56 PolarHBondContact O-N 2.64Å; S52-P277 WeakPolarHBondContact CB-O 3.42Å
53E97.2Very high97.8Very high106 Ų10637.6 Ų37.650%0.49522%0.22SC..Hα-helixtrans-57.5-38.4175.6-67.3-176.217600111.3L42 A56 Y57L42-E53 HydrophobicContact CB-CG 4.32Å; L42-E53 HydrophobicContact CD1-CB 4.35Å; E53-A56 PolarHBondContact O-N 3.34Å; E53-Y57 VanDerWaalsContact O-CB 3.24Å; E53-Y57 WeakPolarHBondContact O-CB 3.47Å; E53-Y57 PolarHBondContact O-N 2.96Å
54L97.7Very high97.8Very high130 Ų13035.3 Ų35.368%0.68120%0.201SC*.Hα-helixtrans-63.8-43.9177.5-65.7177.2000112.4S52 Y57 S58S52-L54 PolarHBondContact O-N 2.97Å; L54-Y57 PolarHBondContact O-N 3.16Å; L54-S58 WeakPolarHBondContact O-CB 3.48Å; L54-S58 PolarHBondContact O-N 2.63Å; L54-S58 PolarHBondContact O-OG 3.24Å
55N97.5Very high97.8Very high28 Ų2836 Ų3615%0.1520%0.204CC..Hα-helixtrans-67.9-43176-79.1-6.3000111.5K51 S52 Y57 S58 H59 D278 E280K51-N55 HydrophobicContact CD-CB 4.15Å; K51-N55 HydrophobicContact CG-CB 3.67Å; S52-N55 PolarHBondContact O-N 3.26Å; S52-N55 WeakPolarHBondContact OG-CB 3.39Å; S52-N55 PolarHBondContact OG-N 3.38Å; S52-N55 VanDerWaalsContact OG-N 3.16Å; N55-Y57 VanDerWaalsContact C-N 3.32Å; N55-Y57 PolarHBondContact O-N 3.4Å; N55-S58 PolarHBondContact O-N 2.94Å; N55-H59 VanDerWaalsContact O-CB 3.26Å; N55-H59 WeakPolarHBondContact O-CB 3.13Å; N55-H59 PolarHBondContact O-N 2.99Å; N55-H59 PolarHBondContact O-ND1 3.21Å; N55-H59 VanDerWaalsContact O-ND1 3.16Å; N55-D278 PolarHBondContact ND2-O 3.09Å; N55-E280 PolarHBondContact ND2-OE1 2.62Å; N55-E280 VanDerWaalsContact ND2-OE1 3.07Å
56A97.8Very high97.8Very high0 Ų037.6 Ų37.60%022%0.22CC..Hα-helixtrans-61.6-42176.400000111.2L42 I45 K51 S52 E53 E60 V61L42-A56 HydrophobicContact CD2-CB 3.71Å; I45-A56 HydrophobicContact CB-CB 4.27Å; I45-A56 HydrophobicContact CG2-CB 3.85Å; K51-A56 HydrophobicContact CD-CB 3.93Å; K51-A56 HydrophobicContact CG-CB 4.25Å; S52-A56 WeakPolarHBondContact O-CB 3.43Å; S52-A56 PolarHBondContact O-N 2.64Å; E53-A56 PolarHBondContact O-N 3.34Å; A56-E60 WeakPolarHBondContact O-CA 3.42Å; A56-E60 VanDerWaalsContact O-CB 3.3Å; A56-E60 WeakPolarHBondContact O-CB 3.45Å; A56-E60 PolarHBondContact O-N 3.48Å; A56-V61 PolarHBondContact O-N 3.43Å
57Y98.4Very high97.8Very high75 Ų7536.5 Ų36.529%0.29421%0.211SC..Iπ-helixtrans-63.1-51.7176.7-171.3-92.2000111.5E38 L42 E53 L54 N55 H59 V61 I62E38-Y57 VanDerWaalsContact CD-CE2 3.48Å; E38-Y57 HydrophobicContact CG-CD2 4.28Å; E38-Y57 HydrophobicContact CG-CE2 4.19Å; E38-Y57 VanDerWaalsContact OE2-CE2 3.29Å; E38-Y57 WeakPolarHBondContact OE2-CE2 3.5Å; L42-Y57 HydrophobicContact CD1-CD2 4.24Å; L42-Y57 HydrophobicContact CD2-CD2 4.44Å; E53-Y57 VanDerWaalsContact O-CB 3.24Å; E53-Y57 WeakPolarHBondContact O-CB 3.47Å; E53-Y57 PolarHBondContact O-N 2.96Å; L54-Y57 PolarHBondContact O-N 3.16Å; N55-Y57 VanDerWaalsContact C-N 3.32Å; N55-Y57 PolarHBondContact O-N 3.4Å; Y57-H59 PolarHBondContact O-N 2.9Å; Y57-V61 HydrophobicContact CD2-CB 3.78Å; Y57-V61 HydrophobicContact CD2-CG1 3.81Å; Y57-V61 HydrophobicContact CD2-CG2 4.17Å; Y57-V61 HydrophobicContact CE2-CB 4.09Å; Y57-V61 HydrophobicContact CE2-CG1 3.62Å; Y57-V61 HydrophobicContact CG-CB 4.26Å; Y57-V61 WeakPolarHBondContact O-CB 3.26Å; Y57-V61 PolarHBondContact O-N 3.16Å; Y57-I62 HydrophobicContact CD1-CD1 3.89Å; Y57-I62 HydrophobicContact CD1-CG1 3.76Å; Y57-I62 HydrophobicContact CE1-CD1 3.76Å; Y57-I62 HydrophobicContact CE1-CG1 3.49Å; Y57-I62 VanDerWaalsContact CE1-CG1 3.49Å; Y57-I62 PolarHBondContact O-N 2.87Å
58S96.4Very high97.8Very high61 Ų6133.9 Ų33.943%0.42719%0.189SC..Iπ-helixtrans-68.1-38.6-174.2-56.30000112.9L54 N55L54-S58 WeakPolarHBondContact O-CB 3.48Å; L54-S58 PolarHBondContact O-N 2.63Å; L54-S58 PolarHBondContact O-OG 3.24Å; N55-S58 PolarHBondContact O-N 2.94Å
59H95.1Very high97.8Very high42 Ų4237.1 Ų37.119%0.19421%0.206CC..Iπ-helixtrans-85.9-33.3-177.7-57.9149.6000112.9N55 Y57 T63 Y113 M235N55-H59 VanDerWaalsContact O-CB 3.26Å; N55-H59 WeakPolarHBondContact O-CB 3.13Å; N55-H59 PolarHBondContact O-N 2.99Å; N55-H59 PolarHBondContact O-ND1 3.21Å; N55-H59 VanDerWaalsContact O-ND1 3.16Å; Y57-H59 PolarHBondContact O-N 2.9Å; H59-T63 PolarHBondContact O-OG1 2.98Å; H59-Y113 HydrophobicContact CB-CE1 4.24Å; H59-M235 WeakPolarHBondContact NE2-CE 3.47Å
60E98.3Very high97.8Very high0 Ų039.1 Ų39.10%022%0.215CC..Iπ-helixtrans-113.8-50.9-170.8-59.6-168.3-124.600113.9I45 K51 A56 I64 Y113 P114 F115 V116I45-E60 HydrophobicContact CD1-CB 4.41Å; I45-E60 WeakPolarHBondContact CG2-OE1 3.28Å; K51-E60 IonicContact NZ-OE1 3.56Å; K51-E60 PolarHBondContact NZ-OE1 3.29Å; A56-E60 WeakPolarHBondContact O-CA 3.42Å; A56-E60 VanDerWaalsContact O-CB 3.3Å; A56-E60 WeakPolarHBondContact O-CB 3.45Å; A56-E60 PolarHBondContact O-N 3.48Å; E60-I64 WeakPolarHBondContact O-CG1 3.44Å; E60-I64 PolarHBondContact O-N 3.18Å; E60-Y113 HydrophobicContact CG-CD1 3.83Å; E60-Y113 WeakPolarHBondContact OE2-CA 3.46Å; E60-P114 WeakPolarHBondContact OE2-CD 3.16Å; E60-F115 PolarHBondContact OE2-N 2.79Å; E60-V116 HydrophobicContact CB-CG2 3.63Å; E60-V116 HydrophobicContact CG-CG2 3.74Å
61V98.3Very high97.9Very high1 Ų136.7 Ų36.71%0.00620%0.198CC..Iπ-helixtrans-70.5-47.2-174.4178.60000111.7V34 L42 A56 Y57 T63 I64 L65V34-V61 HydrophobicContact CG1-CG1 3.72Å; L42-V61 HydrophobicContact CD2-CG2 3.72Å; A56-V61 PolarHBondContact O-N 3.43Å; Y57-V61 HydrophobicContact CD2-CB 3.78Å; Y57-V61 HydrophobicContact CD2-CG1 3.81Å; Y57-V61 HydrophobicContact CD2-CG2 4.17Å; Y57-V61 HydrophobicContact CE2-CB 4.09Å; Y57-V61 HydrophobicContact CE2-CG1 3.62Å; Y57-V61 HydrophobicContact CG-CB 4.26Å; Y57-V61 WeakPolarHBondContact O-CB 3.26Å; Y57-V61 PolarHBondContact O-N 3.16Å; V61-T63 VanDerWaalsContact C-N 3.28Å; V61-T63 PolarHBondContact O-N 3.04Å; V61-I64 PolarHBondContact O-N 2.95Å; V61-I64 VanDerWaalsContact O-N 3.17Å; V61-L65 HydrophobicContact CG1-CD1 3.9Å; V61-L65 HydrophobicContact CG1-CG 4.3Å; V61-L65 WeakPolarHBondContact O-CG 3.42Å; V61-L65 PolarHBondContact O-N 2.86Å
62I98.1Very high97.9Very high87 Ų8737.9 Ų37.945%0.44620%0.204SC..Hα-helixtrans-58.1-43178.1-67.5-177.8000110.8Y57 I64 L65 G66Y57-I62 HydrophobicContact CD1-CD1 3.89Å; Y57-I62 HydrophobicContact CD1-CG1 3.76Å; Y57-I62 HydrophobicContact CE1-CD1 3.76Å; Y57-I62 HydrophobicContact CE1-CG1 3.49Å; Y57-I62 VanDerWaalsContact CE1-CG1 3.49Å; Y57-I62 PolarHBondContact O-N 2.87Å; I62-I64 VanDerWaalsContact C-N 3.34Å; I62-I64 PolarHBondContact O-N 3.41Å; I62-L65 PolarHBondContact O-N 2.9Å; I62-G66 PolarHBondContact O-N 3.48Å
63T96.8Very high98Very high32 Ų3239.7 Ų39.720%0.19623%0.226CC..Hα-helixtrans-57.5-45.9177.8-56.90000111.5H59 V61 E67 V116 F392H59-T63 PolarHBondContact O-OG1 2.98Å; V61-T63 VanDerWaalsContact C-N 3.28Å; V61-T63 PolarHBondContact O-N 3.04Å; T63-E67 PolarHBondContact O-N 3.34Å; T63-V116 HydrophobicContact CG2-CG1 4.24Å; T63-V116 HydrophobicContact CG2-CG2 4.38Å; T63-F392 HydrophobicContact CG2-CE1 3.95Å; T63-F392 HydrophobicContact CG2-CZ 4.37Å
64I98.1Very high98.1Very high0 Ų037.3 Ų37.30%022%0.217CC..Hα-helixtrans-69.1-44.5179.8-68-52.9000112.2V34 E60 V61 I62 G66 E67 I68 F115 V116 M119 Q120V34-I64 HydrophobicContact CG2-CG2 4.04Å; E60-I64 WeakPolarHBondContact O-CG1 3.44Å; E60-I64 PolarHBondContact O-N 3.18Å; V61-I64 PolarHBondContact O-N 2.95Å; V61-I64 VanDerWaalsContact O-N 3.17Å; I62-I64 VanDerWaalsContact C-N 3.34Å; I62-I64 PolarHBondContact O-N 3.41Å; I64-G66 VanDerWaalsContact C-N 3.31Å; I64-G66 PolarHBondContact O-N 2.89Å; I64-E67 PolarHBondContact O-N 3.27Å; I64-I68 HydrophobicContact CG2-CD1 3.73Å; I64-I68 HydrophobicContact CG2-CG1 4.41Å; I64-I68 VanDerWaalsContact O-CG1 3.29Å; I64-I68 WeakPolarHBondContact O-CG1 3.33Å; I64-I68 PolarHBondContact O-N 3.08Å; I64-F115 HydrophobicContact CB-CE1 4.14Å; I64-F115 HydrophobicContact CG1-CD1 3.87Å; I64-F115 HydrophobicContact CG1-CE1 3.85Å; I64-F115 HydrophobicContact CG2-CE1 4.13Å; I64-V116 HydrophobicContact CG1-CG2 4.4Å; I64-M119 HydrophobicContact CD1-CB 3.77Å; I64-M119 HydrophobicContact CG1-CB 4.16Å; I64-M119 HydrophobicContact CG2-CB 4.39Å; I64-Q120 HydrophobicContact CD1-CB 3.6Å; I64-Q120 HydrophobicContact CD1-CG 4.29Å; I64-Q120 VanDerWaalsContact CD1-N 3.33Å
65L98.6Very high98.1Very high25 Ų2531.1 Ų31.113%0.13118%0.184CC..Hα-helixtrans-60.9-43.3177.3-68.9175000111.1R31 V34 Q35 V61 I62 I68 D69R31-L65 HydrophobicContact CG-CD2 3.97Å; V34-L65 HydrophobicContact CB-CD2 3.98Å; V34-L65 HydrophobicContact CG1-CD1 4.41Å; V34-L65 HydrophobicContact CG1-CD2 3.68Å; V34-L65 HydrophobicContact CG1-CG 3.95Å; Q35-L65 HydrophobicContact CG-CD2 4.26Å; V61-L65 HydrophobicContact CG1-CD1 3.9Å; V61-L65 HydrophobicContact CG1-CG 4.3Å; V61-L65 WeakPolarHBondContact O-CG 3.42Å; V61-L65 PolarHBondContact O-N 2.86Å; I62-L65 PolarHBondContact O-N 2.9Å; L65-I68 PolarHBondContact O-N 3.31Å; L65-D69 WeakPolarHBondContact O-CB 3.39Å; L65-D69 PolarHBondContact O-N 3.38Å
66G98.4Very high98.2Very high33 Ų3332.9 Ų32.934%0.3420%0.197SC..Hα-helixtrans-61.3-42.9175.900000113.4I62 I64 F70I62-G66 PolarHBondContact O-N 3.48Å; I64-G66 VanDerWaalsContact C-N 3.31Å; I64-G66 PolarHBondContact O-N 2.89Å; G66-F70 WeakPolarHBondContact O-CB 3.34Å; G66-F70 PolarHBondContact O-N 3.35Å
67E98.6Very high98.2Very high1 Ų139.6 Ų39.61%0.00523%0.229CC..Hα-helixtrans-65.5-40.9176.3-174.179.6168.500111.5T63 I64 F70 M71 Q120 V123 G412 S415T63-E67 PolarHBondContact O-N 3.34Å; I64-E67 PolarHBondContact O-N 3.27Å; E67-F70 PolarHBondContact O-N 3.48Å; E67-M71 WeakPolarHBondContact O-CG 3.45Å; E67-M71 PolarHBondContact O-N 3.21Å; E67-Q120 HydrophobicContact CB-CG 4.18Å; E67-Q120 HydrophobicContact CG-CG 3.77Å; E67-V123 HydrophobicContact CG-CB 4.22Å; E67-V123 HydrophobicContact CG-CG1 3.74Å; E67-G412 PolarHBondContact OE1-N 3.49Å; E67-G412 PolarHBondContact OE2-N 3.2Å; E67-S415 PolarHBondContact OE1-OG 3.05Å
68I98.9Very high98.2Very high0 Ų036.6 Ų36.60%022%0.218CC..Hα-helixtrans-63.8-48.1177.1-66.7163.4000110.6L27 L30 R31 V34 I64 L65 F70 M71 L72 V123L27-I68 HydrophobicContact CB-CG2 4.42Å; L30-I68 HydrophobicContact CB-CD1 4.41Å; L30-I68 HydrophobicContact CD2-CD1 4.14Å; L30-I68 HydrophobicContact CD2-CG1 4.44Å; L30-I68 HydrophobicContact CG-CD1 3.96Å; R31-I68 HydrophobicContact CB-CD1 4.38Å; R31-I68 HydrophobicContact CB-CG2 3.98Å; R31-I68 HydrophobicContact CG-CG2 4.49Å; V34-I68 HydrophobicContact CG2-CD1 4.49Å; I64-I68 HydrophobicContact CG2-CD1 3.73Å; I64-I68 HydrophobicContact CG2-CG1 4.41Å; I64-I68 VanDerWaalsContact O-CG1 3.29Å; I64-I68 WeakPolarHBondContact O-CG1 3.33Å; I64-I68 PolarHBondContact O-N 3.08Å; L65-I68 PolarHBondContact O-N 3.31Å; I68-F70 VanDerWaalsContact C-N 3.32Å; I68-F70 PolarHBondContact O-N 2.97Å; I68-M71 PolarHBondContact O-N 3Å; I68-M71 VanDerWaalsContact O-N 3.16Å; I68-L72 HydrophobicContact CG2-CD1 3.81Å; I68-L72 HydrophobicContact CG2-CG 4.19Å; I68-L72 WeakPolarHBondContact O-CG 3.38Å; I68-L72 PolarHBondContact O-N 3.02Å; I68-V123 HydrophobicContact CD1-CG2 4.34Å; I68-V123 HydrophobicContact CG1-CG1 4.38Å; I68-V123 HydrophobicContact CG1-CG2 3.56Å
69D98.7Very high98.3Very high79 Ų7934.8 Ų34.842%0.42221%0.206SC..Hα-helixtrans-65-37.7179.9-74.9-20.5000111.5R31 L65 L72 G73R31-D69 WeakPolarHBondContact CD-OD1 3.47Å; R31-D69 IonicContact CZ-OD1 2.93Å; R31-D69 IonicContact NH1-OD1 3.2Å; R31-D69 PolarHBondContact NH1-OD1 2.87Å; L65-D69 WeakPolarHBondContact O-CB 3.39Å; L65-D69 PolarHBondContact O-N 3.38Å; D69-L72 PolarHBondContact O-N 3.02Å; D69-G73 PolarHBondContact O-N 3.24Å
70F98.8Very high98.4Very high44 Ų4435.2 Ų35.219%0.19321%0.214CC..Hα-helixtrans-57.4-49.6170.4175.8-88.7000111.2G66 E67 I68 G73 N74 N395 G412G66-F70 WeakPolarHBondContact O-CB 3.34Å; G66-F70 PolarHBondContact O-N 3.35Å; E67-F70 PolarHBondContact O-N 3.48Å; I68-F70 VanDerWaalsContact C-N 3.32Å; I68-F70 PolarHBondContact O-N 2.97Å; F70-G73 PolarHBondContact O-N 3.28Å; F70-N74 WeakPolarHBondContact CD2-ND2 3.4Å; F70-N74 HydrophobicContact CE1-CB 4.44Å; F70-N74 WeakPolarHBondContact CE2-ND2 3.41Å; F70-N74 HydrophobicContact CZ-CB 4.41Å; F70-N74 WeakPolarHBondContact O-CB 3.44Å; F70-N74 PolarHBondContact O-N 3.46Å; F70-N74 VanDerWaalsContact O-N 3.07Å; F70-N74 PolarHBondContact O-ND2 3.26Å; F70-N395 HydrophobicContact CD2-CB 3.9Å; F70-N395 HydrophobicContact CE2-CB 4.04Å; F70-N395 HydrophobicContact CG-CB 4.33Å; F70-G412 VanDerWaalsContact CE1-C 3.5Å
71M98.8Very high98.4Very high0 Ų037.4 Ų37.40%023%0.232CC..Hα-helixtrans-64-44.9179.3-72.2-63.2-174.100112L27 E67 I68 G73 N74 L75 L78 V123 A127 G412L27-M71 HydrophobicContact CD1-CB 3.91Å; E67-M71 WeakPolarHBondContact O-CG 3.45Å; E67-M71 PolarHBondContact O-N 3.21Å; I68-M71 PolarHBondContact O-N 3Å; I68-M71 VanDerWaalsContact O-N 3.16Å; M71-G73 VanDerWaalsContact C-N 3.27Å; M71-G73 PolarHBondContact O-N 3.42Å; M71-N74 PolarHBondContact O-N 3.19Å; M71-L75 WeakPolarHBondContact O-CA 3.43Å; M71-L75 WeakPolarHBondContact O-CB 3.28Å; M71-L75 PolarHBondContact O-N 2.9Å; M71-L78 HydrophobicContact SD-CD1 4.4Å; M71-V123 HydrophobicContact CB-CG1 4.21Å; M71-V123 HydrophobicContact CG-CG1 3.53Å; M71-A127 HydrophobicContact CE-CB 4.45Å; M71-A127 HydrophobicContact CG-CB 4.27Å; M71-A127 HydrophobicContact SD-CB 3.85Å; M71-G412 WeakPolarHBondContact CE-O 3.49Å
72L98.8Very high98.4Very high29 Ų2940.7 Ų40.715%0.15224%0.244CC..Hα-helixtrans-58-40.9178-73.1172.7000111.8L24 L27 E28 I68 D69L24-L72 HydrophobicContact CB-CD2 4.47Å; L24-L72 HydrophobicContact CD2-CD2 3.77Å; L27-L72 HydrophobicContact CB-CD2 3.72Å; L27-L72 HydrophobicContact CB-CG 4.21Å; L27-L72 HydrophobicContact CD1-CD2 4.27Å; E28-L72 HydrophobicContact CG-CD1 4.27Å; E28-L72 HydrophobicContact CG-CD2 3.97Å; I68-L72 HydrophobicContact CG2-CD1 3.81Å; I68-L72 HydrophobicContact CG2-CG 4.19Å; I68-L72 WeakPolarHBondContact O-CG 3.38Å; I68-L72 PolarHBondContact O-N 3.02Å; D69-L72 PolarHBondContact O-N 3.02Å
73G98.5Very high98.4Very high60 Ų6042.2 Ų42.262%0.61926%0.26SS*.Hα-helixtrans-72.2-3117900000114.7D69 F70 M71D69-G73 PolarHBondContact O-N 3.24Å; F70-G73 PolarHBondContact O-N 3.28Å; M71-G73 VanDerWaalsContact C-N 3.27Å; M71-G73 PolarHBondContact O-N 3.42Å
74N98.8Very high98.4Very high56 Ų5642.6 Ų42.630%0.29927%0.267SS..Hα-helixtrans-110.8-16.4-169.7-66.1-85000114.4F70 M71 P76 E77 L78F70-N74 WeakPolarHBondContact CD2-ND2 3.4Å; F70-N74 HydrophobicContact CE1-CB 4.44Å; F70-N74 WeakPolarHBondContact CE2-ND2 3.41Å; F70-N74 HydrophobicContact CZ-CB 4.41Å; F70-N74 WeakPolarHBondContact O-CB 3.44Å; F70-N74 PolarHBondContact O-N 3.46Å; F70-N74 VanDerWaalsContact O-N 3.07Å; F70-N74 PolarHBondContact O-ND2 3.26Å; M71-N74 PolarHBondContact O-N 3.19Å; N74-P76 VanDerWaalsContact C-CD 3.46Å; N74-E77 PolarHBondContact O-N 2.89Å; N74-E77 VanDerWaalsContact O-N 3.12Å; N74-L78 HydrophobicContact CB-CD1 4.1Å; N74-L78 HydrophobicContact CB-CG 4.31Å; N74-L78 WeakPolarHBondContact O-CG 3.26Å; N74-L78 PolarHBondContact O-N 3.39Å
75L98.7Very high98.3Very high0 Ų052.8 Ų52.80%031%0.311CS..Hα-helixtrans-58.1-38.6-172.3-176.258.4000115L20 R23 L24 L27 M71 E77 L78 A79 A127 F416L20-L75 HydrophobicContact CD1-CB 4.31Å; L20-L75 HydrophobicContact CD1-CD2 3.69Å; L20-L75 HydrophobicContact CD1-CG 3.49Å; L20-L75 VanDerWaalsContact CD1-CG 3.49Å; R23-L75 HydrophobicContact CB-CD2 3.98Å; L24-L75 HydrophobicContact CD2-CB 4.33Å; L24-L75 HydrophobicContact CD2-CD2 4.05Å; L24-L75 HydrophobicContact CG-CD2 4.42Å; L27-L75 HydrophobicContact CD1-CD2 4.11Å; M71-L75 WeakPolarHBondContact O-CA 3.43Å; M71-L75 WeakPolarHBondContact O-CB 3.28Å; M71-L75 PolarHBondContact O-N 2.9Å; L75-E77 VanDerWaalsContact C-N 3.29Å; L75-E77 PolarHBondContact O-N 3.22Å; L75-L78 PolarHBondContact O-N 2.74Å; L75-A79 HydrophobicContact CD1-CB 4.5Å; L75-A79 WeakPolarHBondContact O-CB 3.26Å; L75-A79 PolarHBondContact O-N 3.36Å; L75-A127 HydrophobicContact CD1-CB 4.01Å; L75-A127 WeakPolarHBondContact CD1-O 3.37Å; L75-A127 HydrophobicContact CD2-CB 4.31Å; L75-F416 HydrophobicContact CD1-CD2 3.77Å; L75-F416 HydrophobicContact CD1-CE2 3.62Å
76P98.5Very high98Very high65 Ų6555.9 Ų55.942%0.42232%0.323SS..Hα-helixtrans-57.5-40.8175.6-2534.3000113.3L20 N74L20-P76 HydrophobicContact CD2-CB 3.97Å; L20-P76 HydrophobicContact CD2-CG 4.13Å; N74-P76 VanDerWaalsContact C-CD 3.46Å
77E98.4Very high97.6Very high142 Ų14258.8 Ų58.866%0.66433%0.331SS*.Hα-helixtrans-71.3-47.5175.9-175.8-177.1164.600110.6N74 L75 A79 S80N74-E77 PolarHBondContact O-N 2.89Å; N74-E77 VanDerWaalsContact O-N 3.12Å; L75-E77 VanDerWaalsContact C-N 3.29Å; L75-E77 PolarHBondContact O-N 3.22Å; E77-A79 VanDerWaalsContact C-N 3.26Å; E77-A79 PolarHBondContact O-N 3.4Å; E77-S80 WeakPolarHBondContact O-CB 3.39Å; E77-S80 PolarHBondContact O-N 3.38Å; E77-S80 VanDerWaalsContact O-N 3.08Å; E77-S80 PolarHBondContact O-OG 2.94Å
78L98.5Very high97Very high12 Ų1260.7 Ų60.76%0.06334%0.341CS..Hα-helixtrans-57.7-39.1-178-69176.4000112.5M71 N74 L75 S80 R82 K413 F416M71-L78 HydrophobicContact SD-CD1 4.4Å; N74-L78 HydrophobicContact CB-CD1 4.1Å; N74-L78 HydrophobicContact CB-CG 4.31Å; N74-L78 WeakPolarHBondContact O-CG 3.26Å; N74-L78 PolarHBondContact O-N 3.39Å; L75-L78 PolarHBondContact O-N 2.74Å; L78-S80 VanDerWaalsContact C-N 3.35Å; L78-R82 PolarHBondContact O-NH2 3.28Å; L78-K413 HydrophobicContact CD2-CB 3.97Å; L78-K413 HydrophobicContact CD2-CD 3.71Å; L78-K413 HydrophobicContact CD2-CG 3.63Å; L78-F416 HydrophobicContact CB-CD1 4.05Å; L78-F416 HydrophobicContact CB-CD2 4.29Å; L78-F416 HydrophobicContact CB-CE1 4.11Å; L78-F416 HydrophobicContact CB-CE2 4.34Å; L78-F416 HydrophobicContact CB-CG 4.15Å; L78-F416 HydrophobicContact CB-CZ 4.27Å; L78-F416 HydrophobicContact CD1-CB 4.19Å; L78-F416 HydrophobicContact CD1-CG 4.3Å; L78-F416 VanDerWaalsContact O-CE1 3.26Å; L78-F416 WeakPolarHBondContact O-CE1 3.19Å; L78-F416 WeakPolarHBondContact O-CZ 3.25Å
79A98.4Very high96.4Very high22 Ų2265.3 Ų65.318%0.18237%0.365CS..THydrogen-bonded Turntrans-80.1-10.4-179.400000114.8L75 E77 Q98 F416L75-A79 HydrophobicContact CD1-CB 4.5Å; L75-A79 WeakPolarHBondContact O-CB 3.26Å; L75-A79 PolarHBondContact O-N 3.36Å; E77-A79 VanDerWaalsContact C-N 3.26Å; E77-A79 PolarHBondContact O-N 3.4Å; A79-Q98 PolarHBondContact O-NE2 3.22Å; A79-Q98 VanDerWaalsContact O-NE2 3.12Å; A79-F416 HydrophobicContact CB-CZ 4.31Å
80S98.2Very high96.1Very high52 Ų5262.6 Ų62.636%0.36435%0.352SS..SBendtrans-72.5152.1-178.472.50000112.9E77 L78 R82E77-S80 WeakPolarHBondContact O-CB 3.39Å; E77-S80 PolarHBondContact O-N 3.38Å; E77-S80 VanDerWaalsContact O-N 3.08Å; E77-S80 PolarHBondContact O-OG 2.94Å; L78-S80 VanDerWaalsContact C-N 3.35Å; S80-R82 PolarHBondContact O-N 2.94Å
81A98.1Very high95.7Very high45 Ų4562.6 Ų62.637%0.37235%0.353SS..  trans-63.1131.3169.900000110.1Y96A81-Y96 HydrophobicContact CB-CD2 3.86Å; A81-Y96 HydrophobicContact CB-CE2 4.38Å; A81-Y96 HydrophobicContact CB-CG 4.34Å
82R98Very high95.3Very high70 Ų7069.9 Ų69.926%0.26439%0.389SS..EExtended strand (participates in β ladder)trans-108.1117.1-178.1-59.2-178.9-162.9163.59.9110.3L78 S80 A84 Y96 V97L78-R82 PolarHBondContact O-NH2 3.28Å; S80-R82 PolarHBondContact O-N 2.94Å; R82-A84 PolarHBondContact O-N 2.69Å; R82-Y96 CarbonylContact O-C 3.47Å; R82-Y96 WeakPolarHBondContact O-CA 3.38Å; R82-Y96 WeakPolarHBondContact O-CB 3.47Å; R82-V97 PolarHBondContact N-O 3.03Å; R82-V97 PolarHBondContact O-N 2.95Å
83P97.8Very high95.1Very high119 Ų11969.4 Ų69.477%0.77339%0.386SS*.EExtended strand (participates in β ladder)trans-56.8135.9177.8-26.535000112.5
84A96.8Very high95Very high41 Ų4171.8 Ų71.834%0.33938%0.381SS..PPolyproline II helixtrans-97.9148.8178.700000111.3R82 K86 A95R82-A84 PolarHBondContact O-N 2.69Å; A84-K86 PolarHBondContact O-N 3.22Å; A84-A95 HydrophobicContact CB-CB 4.18Å; A84-A95 PolarHBondContact N-O 2.93Å
85K95.8Very high95Very high214 Ų21470 Ų7093%0.9337%0.374SS*.PPolyproline II helixtrans-65.4122.4172.4-174.8177.6179.2-179.80109.5
86K92.9Very high95Very high90 Ų9072.2 Ų72.239%0.39138%0.383SS..PPolyproline II helixtrans-88.7160.1-179.7-62.1-179.3-72.3172.40111.5A84 T90 M91 D93 A95A84-K86 PolarHBondContact O-N 3.22Å; K86-T90 WeakPolarHBondContact CD-O 3.31Å; K86-M91 PolarHBondContact NZ-O 2.7Å; K86-D93 WeakPolarHBondContact CD-O 3.44Å; K86-D93 PolarHBondContact NZ-O 3.26Å; K86-A95 HydrophobicContact CD-CB 4.15Å; K86-A95 HydrophobicContact CG-CB 3.82Å
87N88.9Confident95Very high94 Ų9471 Ų7150%0.50337%0.374SS..  trans-112.3-178.6172.767.944.7000110.3L89 T90 M91N87-L89 VanDerWaalsContact C-N 3.26Å; N87-L89 PolarHBondContact O-N 3Å; N87-L89 WeakPolarHBondContact OD1-CB 3.16Å; N87-L89 PolarHBondContact OD1-N 2.96Å; N87-T90 PolarHBondContact N-OG1 2.9Å; N87-T90 VanDerWaalsContact N-OG1 3.13Å; N87-T90 CarbonylContact O-C 3.53Å; N87-T90 PolarHBondContact O-N 2.96Å; N87-T90 VanDerWaalsContact O-N 3.13Å; N87-T90 PolarHBondContact OD1-N 2.92Å; N87-T90 PolarHBondContact OD1-OG1 2.79Å; N87-M91 WeakPolarHBondContact O-CA 3.49Å; N87-M91 WeakPolarHBondContact O-CB 3.39Å; N87-M91 PolarHBondContact O-N 3.38Å
88L86Confident95Very high40 Ų4066.9 Ų66.921%0.20936%0.355CS..G310 helixtrans-55.8-40.1-177.1-176.165000113.2T90 M91 F454 L455 F469 V470 V473L88-T90 VanDerWaalsContact C-N 3.28Å; L88-T90 PolarHBondContact O-N 2.84Å; L88-M91 HydrophobicContact CD1-CE 3.85Å; L88-F454 HydrophobicContact CD2-CB 4.31Å; L88-L455 HydrophobicContact CD2-CD2 4.44Å; L88-F469 HydrophobicContact CD1-CD1 3.82Å; L88-F469 HydrophobicContact CD1-CE1 4.16Å; L88-F469 HydrophobicContact CD2-CD1 4.21Å; L88-F469 HydrophobicContact CD2-CE1 3.67Å; L88-V470 HydrophobicContact CD1-CG2 4.07Å; L88-V473 HydrophobicContact CD1-CG2 4.45Å; L88-V473 HydrophobicContact CD2-CG2 4.22Å
89L87.3Confident95Very high98 Ų9866.9 Ų66.951%0.51336%0.355SS..G310 helixtrans-76.6-18.4-176.4-59.4177.9000112.9N87 W450 L455N87-L89 VanDerWaalsContact C-N 3.26Å; N87-L89 PolarHBondContact O-N 3Å; N87-L89 WeakPolarHBondContact OD1-CB 3.16Å; N87-L89 PolarHBondContact OD1-N 2.96Å; L89-W450 HydrophobicContact CD2-CH2 4.43Å; L89-L455 HydrophobicContact CD1-CD1 4.42Å; L89-L455 HydrophobicContact CD1-CD2 4.14Å; L89-L455 HydrophobicContact CD2-CD2 4.12Å; L89-L455 HydrophobicContact CG-CD2 4.03Å
90T91.5Very high95Very high22 Ų2268 Ų6814%0.13536%0.357CS..G310 helixtrans-117.57.5-177590000113.4K86 N87 L88 M92 D93 L426K86-T90 WeakPolarHBondContact CD-O 3.31Å; N87-T90 PolarHBondContact N-OG1 2.9Å; N87-T90 VanDerWaalsContact N-OG1 3.13Å; N87-T90 CarbonylContact O-C 3.53Å; N87-T90 PolarHBondContact O-N 2.96Å; N87-T90 VanDerWaalsContact O-N 3.13Å; N87-T90 PolarHBondContact OD1-N 2.92Å; N87-T90 PolarHBondContact OD1-OG1 2.79Å; L88-T90 VanDerWaalsContact C-N 3.28Å; L88-T90 PolarHBondContact O-N 2.84Å; T90-M92 PolarHBondContact O-N 3.01Å; T90-M92 VanDerWaalsContact O-N 3.15Å; T90-D93 VanDerWaalsContact CA-OD2 3.26Å; T90-D93 WeakPolarHBondContact CA-OD2 3.44Å; T90-D93 WeakPolarHBondContact O-CB 3.49Å; T90-D93 PolarHBondContact O-N 3.08Å; T90-L426 HydrophobicContact CG2-CD1 3.96Å; T90-L426 HydrophobicContact CG2-CD2 3.98Å
91M90.9Very high95.1Very high43 Ų4366.2 Ų66.221%0.21234%0.344CS..THydrogen-bonded Turntrans-60.9-32.8-169.2-160.6-178.6-5100113.7K86 N87 L88 M466 V470K86-M91 PolarHBondContact NZ-O 2.7Å; N87-M91 WeakPolarHBondContact O-CA 3.49Å; N87-M91 WeakPolarHBondContact O-CB 3.39Å; N87-M91 PolarHBondContact O-N 3.38Å; L88-M91 HydrophobicContact CD1-CE 3.85Å; M91-M466 HydrophobicContact CE-CG 3.34Å; M91-M466 HydrophobicContact CE-SD 3.55Å; M91-M466 VanDerWaalsContact CE-SD 3.55Å; M91-M466 HydrophobicContact SD-CG 3.74Å; M91-M466 HydrophobicContact SD-SD 3.8Å; M91-V470 HydrophobicContact CE-CG2 3.45Å; M91-V470 VanDerWaalsContact CE-CG2 3.45Å; M91-V470 HydrophobicContact SD-CG2 3.49Å; M91-V470 WeakPolarHBondContact SD-CG2 3.18Å
92M90.6Very high95.1Very high153 Ų15366.2 Ų66.275%0.75434%0.338SS*.THydrogen-bonded Turntrans-87-6.8177.7-62.7-63.4177.400113.5T90 V470T90-M92 PolarHBondContact O-N 3.01Å; T90-M92 VanDerWaalsContact O-N 3.15Å; M92-V470 HydrophobicContact CE-CG1 3.75Å
93D94.1Very high95.2Very high19 Ų1963 Ų6310%0.10233%0.326CS..SBendtrans-88.7163.8-179.1-55.6-37.9000111.1K86 T90 L426 K428K86-D93 WeakPolarHBondContact CD-O 3.44Å; K86-D93 PolarHBondContact NZ-O 3.26Å; T90-D93 VanDerWaalsContact CA-OD2 3.26Å; T90-D93 WeakPolarHBondContact CA-OD2 3.44Å; T90-D93 WeakPolarHBondContact O-CB 3.49Å; T90-D93 PolarHBondContact O-N 3.08Å; D93-L426 HydrophobicContact CB-CD1 3.65Å; D93-K428 IonicContact OD1-NZ 2.57Å; D93-K428 PolarHBondContact OD1-NZ 3.28Å; D93-K428 IonicContact OD2-NZ 3.6Å; D93-K428 PolarHBondContact OD2-NZ 3.12Å
94E97.5Very high95.2Very high111 Ų11157.3 Ų57.352%0.51929%0.289SS..EExtended strand (participates in β ladder)trans-87.8128.7165-163.2-173.5155.700109Y96 L426 L427E94-Y96 HydrophobicContact CG-CD1 4.04Å; E94-Y96 HydrophobicContact CG-CE1 4.35Å; E94-Y96 WeakPolarHBondContact OE1-CD1 3.47Å; E94-Y96 WeakPolarHBondContact OE1-CE1 3.45Å; E94-L426 CarbonylContact O-C 3.51Å; E94-L426 WeakPolarHBondContact O-CA 3.44Å; E94-L427 HydrophobicContact CB-CB 4.13Å; E94-L427 PolarHBondContact N-O 2.98Å; E94-L427 VanDerWaalsContact N-O 3.11Å; E94-L427 PolarHBondContact O-N 3.36Å
95A98.2Very high95.3Very high17 Ų1755.3 Ų55.314%0.1427%0.273CS..EExtended strand (participates in β ladder)trans-134.6125.2176.900000109.5A84 K86 C425 L426A84-A95 HydrophobicContact CB-CB 4.18Å; A84-A95 PolarHBondContact N-O 2.93Å; K86-A95 HydrophobicContact CD-CB 4.15Å; K86-A95 HydrophobicContact CG-CB 3.82Å; A95-C425 WeakPolarHBondContact CA-O 3.5Å; A95-L426 HydrophobicContact CB-CD1 4.09Å
96Y98.6Very high95.5Very high47 Ų4745.1 Ų45.118%0.18423%0.229CC..EExtended strand (participates in β ladder)trans-150.8165.5179.761.6-92.9000111.4A81 R82 E94 Q98 C425 L427A81-Y96 HydrophobicContact CB-CD2 3.86Å; A81-Y96 HydrophobicContact CB-CE2 4.38Å; A81-Y96 HydrophobicContact CB-CG 4.34Å; R82-Y96 CarbonylContact O-C 3.47Å; R82-Y96 WeakPolarHBondContact O-CA 3.38Å; R82-Y96 WeakPolarHBondContact O-CB 3.47Å; E94-Y96 HydrophobicContact CG-CD1 4.04Å; E94-Y96 HydrophobicContact CG-CE1 4.35Å; E94-Y96 WeakPolarHBondContact OE1-CD1 3.47Å; E94-Y96 WeakPolarHBondContact OE1-CE1 3.45Å; Y96-Q98 HydrophobicContact CD2-CB 4.15Å; Y96-Q98 HydrophobicContact CE2-CB 3.96Å; Y96-C425 HydrophobicContact CD1-CB 4.14Å; Y96-C425 HydrophobicContact CD2-CB 3.84Å; Y96-C425 HydrophobicContact CE1-CB 3.78Å; Y96-C425 HydrophobicContact CE2-CB 3.43Å; Y96-C425 VanDerWaalsContact CE2-CB 3.43Å; Y96-C425 VanDerWaalsContact CE2-SG 3.53Å; Y96-C425 HydrophobicContact CG-CB 4.18Å; Y96-C425 PolarHBondContact N-O 2.94Å; Y96-C425 PolarHBondContact O-N 3.41Å; Y96-L427 HydrophobicContact CE1-CD1 3.93Å; Y96-L427 HydrophobicContact CE1-CG 4.2Å
97V98.7Very high95.7Very high41 Ų4140.9 Ų40.925%0.24821%0.21CC..EExtended strand (participates in β ladder)trans-111.2126.1170.6178.50000108R82 Q422 R423R82-V97 PolarHBondContact N-O 3.03Å; R82-V97 PolarHBondContact O-N 2.95Å; V97-Q422 HydrophobicContact CG1-CB 3.75Å; V97-R423 WeakPolarHBondContact CA-O 3.44Å
98Q98.6Very high96.2Very high54 Ų5436.8 Ų36.825%0.25219%0.188SC..EExtended strand (participates in β ladder)trans-112.9116.3177.8179.662.660.200109.6A79 Y96 R423A79-Q98 PolarHBondContact O-NE2 3.22Å; A79-Q98 VanDerWaalsContact O-NE2 3.12Å; Y96-Q98 HydrophobicContact CD2-CB 4.15Å; Y96-Q98 HydrophobicContact CE2-CB 3.96Å; Q98-R423 PolarHBondContact N-O 3.08Å; Q98-R423 WeakPolarHBondContact O-CB 3.2Å; Q98-R423 PolarHBondContact O-N 2.68Å
99P98.7Very high96.8Very high12 Ų1235.1 Ų35.18%0.07818%0.181CC..EExtended strand (participates in β ladder)trans-64.8135.5169.7-18.430000111.1F416 H421P99-F416 HydrophobicContact CB-CE1 3.64Å; P99-F416 HydrophobicContact CB-CZ 3.73Å; P99-F416 HydrophobicContact CG-CE1 3.88Å; P99-F416 HydrophobicContact CG-CZ 4.22Å; P99-H421 WeakPolarHBondContact CA-O 3.36Å
100E98.6Very high97.4Very high46 Ų4630.9 Ų30.922%0.21516%0.159CC..EExtended strand (participates in β ladder)trans-135.6146.417267-173168.700111.1S420 H421 R423E100-S420 CarbonylContact O-C 3.55Å; E100-S420 VanDerWaalsContact O-CA 3.32Å; E100-S420 WeakPolarHBondContact O-CA 3.06Å; E100-H421 HydrophobicContact CG-CB 3.9Å; E100-H421 PolarHBondContact N-O 2.98Å; E100-H421 PolarHBondContact O-N 3.03Å; E100-H421 IonicContact OE1-CE1 2.76Å; E100-H421 IonicContact OE1-CG 2.82Å; E100-H421 IonicContact OE1-ND1 2.61Å; E100-H421 PolarHBondContact OE1-ND1 2.88Å; E100-R423 WeakPolarHBondContact OE1-CD 3.38Å; E100-R423 IonicContact OE1-NH1 3.57Å; E100-R423 IonicContact OE2-CZ 3.41Å; E100-R423 IonicContact OE2-NE 2.81Å; E100-R423 IonicContact OE2-NH1 3.64Å; E100-R423 PolarHBondContact OE2-NH1 3.25Å
101P98.9Very high97.7Very high15 Ų1531.2 Ų31.210%0.09716%0.158CC..EExtended strand (participates in β ladder)trans-62.6145.2178.125.6-34.1000111.3F12 A128 G129F12-P101 HydrophobicContact CE2-CB 3.81Å; F12-P101 HydrophobicContact CE2-CG 3.79Å; F12-P101 HydrophobicContact CZ-CB 4.14Å; F12-P101 HydrophobicContact CZ-CG 3.95Å; P101-A128 WeakPolarHBondContact CB-O 3.47Å; P101-G129 WeakPolarHBondContact CB-O 3.11Å
102L98.9Very high98.1Very high45 Ų4529.4 Ų29.424%0.23615%0.149CC..  trans-70.9-43.9176.1-63.6174.2000111.8N130 D179 H180 H421L102-N130 PolarHBondContact N-OD1 2.79Å; L102-D179 HydrophobicContact CB-CB 4.07Å; L102-D179 WeakPolarHBondContact O-CB 3.34Å; L102-H180 HydrophobicContact CD1-CB 3.74Å; L102-H421 HydrophobicContact CD2-CB 3.88Å
103G98.9Very high98.5Very high1 Ų123.3 Ų23.31%0.0112%0.118CC..SBendtrans147.5-115-177.200000113.8N130 A131 D179G103-N130 PolarHBondContact N-OD1 3.46Å; G103-N130 WeakPolarHBondContact O-CA 3.44Å; G103-N130 WeakPolarHBondContact O-CB 3.47Å; G103-A131 PolarHBondContact O-N 2.84Å; G103-D179 WeakPolarHBondContact CA-OD2 3.31Å
104V98.9Very high98.7Very high0 Ų022.6 Ų22.60%012%0.115CC..EExtended strand (participates in β ladder)trans-102.1117.2174.9-169.20000109L8 R9 A131 F178 D179L8-V104 HydrophobicContact CB-CG1 4.27Å; L8-V104 HydrophobicContact CD2-CG1 4.45Å; R9-V104 HydrophobicContact CB-CG2 3.9Å; R9-V104 HydrophobicContact CG-CG2 4.25Å; V104-A131 WeakPolarHBondContact CA-O 3.37Å; V104-A131 HydrophobicContact CG1-CB 4.43Å; V104-A131 HydrophobicContact CG2-CB 4.31Å; V104-F178 HydrophobicContact CB-CD1 4.41Å; V104-F178 HydrophobicContact CG1-CD1 3.97Å; V104-F178 HydrophobicContact CG1-CE1 4.14Å; V104-D179 PolarHBondContact N-OD2 3.39Å; V104-D179 PolarHBondContact O-N 2.93Å
105V98.9Very high98.8Very high0 Ų017.4 Ų17.40%09%0.09CC..EExtended strand (participates in β ladder)trans-95.6139.2178.41790000109.8I107 A125 N130 A131 A132 I133 H180 F419V105-I107 HydrophobicContact CG1-CG1 4.08Å; V105-A125 HydrophobicContact CB-CB 4.41Å; V105-A125 HydrophobicContact CG1-CB 4.45Å; V105-A125 HydrophobicContact CG2-CB 4.44Å; V105-N130 HydrophobicContact CG2-CB 3.73Å; V105-A131 PolarHBondContact N-O 3Å; V105-A132 CarbonylContact O-C 3.58Å; V105-A132 VanDerWaalsContact O-CA 3.28Å; V105-A132 WeakPolarHBondContact O-CA 3.31Å; V105-I133 PolarHBondContact O-N 2.93Å; V105-H180 WeakPolarHBondContact CA-O 3.38Å; V105-H180 HydrophobicContact CG1-CB 4.37Å; V105-H180 HydrophobicContact CG2-CB 4.12Å; V105-F419 HydrophobicContact CG1-CD1 3.82Å; V105-F419 HydrophobicContact CG1-CE1 3.58Å; V105-F419 HydrophobicContact CG1-CZ 4.45Å; V105-F419 HydrophobicContact CG2-CD1 4Å
106L98.9Very high98.8Very high0 Ų016.8 Ų16.80%09%0.085CC..EExtended strand (participates in β ladder)trans-103.5128.8165.8176.561.7000109.6I108 I133 K135 L173 L174 F178 H180 I181 L182L106-I108 HydrophobicContact CD1-CG1 4.26Å; L106-I108 HydrophobicContact CD2-CD1 3.91Å; L106-I108 HydrophobicContact CD2-CG1 4Å; L106-I108 HydrophobicContact CG-CD1 4.33Å; L106-I108 HydrophobicContact CG-CG1 3.87Å; L106-I133 WeakPolarHBondContact CA-O 3.24Å; L106-I133 HydrophobicContact CD1-CB 4.06Å; L106-I133 HydrophobicContact CD1-CG2 3.88Å; L106-K135 HydrophobicContact CD1-CB 4.42Å; L106-L173 HydrophobicContact CD1-CD2 3.61Å; L106-L173 HydrophobicContact CD1-CG 4.24Å; L106-L173 HydrophobicContact CD2-CD2 4.36Å; L106-L173 HydrophobicContact CD2-CG 4.36Å; L106-L174 HydrophobicContact CD2-CD2 3.95Å; L106-F178 HydrophobicContact CB-CB 4.47Å; L106-F178 HydrophobicContact CB-CD1 3.69Å; L106-F178 HydrophobicContact CB-CD2 3.98Å; L106-F178 HydrophobicContact CB-CE1 3.82Å; L106-F178 HydrophobicContact CB-CE2 4.1Å; L106-F178 HydrophobicContact CB-CG 3.77Å; L106-F178 HydrophobicContact CB-CZ 4.02Å; L106-F178 HydrophobicContact CD1-CE1 4.46Å; L106-F178 HydrophobicContact CD1-CZ 4.2Å; L106-F178 HydrophobicContact CD2-CD2 4.01Å; L106-F178 HydrophobicContact CD2-CE2 3.69Å; L106-F178 HydrophobicContact CD2-CZ 4.08Å; L106-F178 HydrophobicContact CG-CE2 4.35Å; L106-F178 HydrophobicContact CG-CZ 4.32Å; L106-H180 PolarHBondContact N-O 2.87Å; L106-I181 HydrophobicContact CB-CG1 4.15Å; L106-I181 HydrophobicContact CB-CG2 4.3Å; L106-I181 HydrophobicContact CD2-CG1 4.42Å; L106-I181 HydrophobicContact CD2-CG2 4.13Å; L106-I181 HydrophobicContact CG-CG2 4.31Å; L106-I181 CarbonylContact O-C 3.53Å; L106-I181 WeakPolarHBondContact O-CA 3.26Å; L106-L182 PolarHBondContact O-N 3.06Å
107I99Very high98.8Very high0 Ų015.2 Ų15.20%08%0.079CC..EExtended strand (participates in β ladder)trans-115.9115.6174.3-64.4158.6000107.5V105 P121 L122 A125 A132 I133 V134 K135 L182V105-I107 HydrophobicContact CG1-CG1 4.08Å; I107-P121 HydrophobicContact CD1-CB 3.96Å; I107-P121 HydrophobicContact CG1-CB 4.04Å; I107-P121 HydrophobicContact CG2-CB 3.86Å; I107-P121 HydrophobicContact CG2-CG 4.21Å; I107-L122 HydrophobicContact CD1-CB 3.94Å; I107-L122 HydrophobicContact CD1-CD1 4.27Å; I107-A125 HydrophobicContact CD1-CB 4.36Å; I107-A132 HydrophobicContact CD1-CB 4.43Å; I107-I133 PolarHBondContact N-O 3.09Å; I107-V134 HydrophobicContact CB-CG2 4.35Å; I107-V134 HydrophobicContact CD1-CG2 4.24Å; I107-V134 CarbonylContact O-C 3.47Å; I107-V134 WeakPolarHBondContact O-CA 2.93Å; I107-K135 PolarHBondContact O-N 2.9Å; I107-L182 CarbonylContact C-O 3.59Å; I107-L182 WeakPolarHBondContact CA-O 3.38Å; I107-L182 HydrophobicContact CG2-CD2 4.47Å
108I98.9Very high98.8Very high9 Ų913.3 Ų13.35%0.0467%0.068CC..EExtended strand (participates in β ladder)trans-107.2106.9176.4-53.5175.4000107.8L106 K135 T170 L174 I181 L182 Y183 T184 V193L106-I108 HydrophobicContact CD1-CG1 4.26Å; L106-I108 HydrophobicContact CD2-CD1 3.91Å; L106-I108 HydrophobicContact CD2-CG1 4Å; L106-I108 HydrophobicContact CG-CD1 4.33Å; L106-I108 HydrophobicContact CG-CG1 3.87Å; I108-K135 HydrophobicContact CG1-CB 4.35Å; I108-K135 HydrophobicContact CG2-CD 4.2Å; I108-T170 HydrophobicContact CD1-CG2 4.32Å; I108-L174 HydrophobicContact CD1-CD2 4.11Å; I108-I181 HydrophobicContact CD1-CG2 4.43Å; I108-L182 PolarHBondContact N-O 3.46Å; I108-Y183 HydrophobicContact CB-CD2 3.83Å; I108-Y183 HydrophobicContact CD1-CD2 4.28Å; I108-Y183 HydrophobicContact CG2-CD2 3.71Å; I108-Y183 HydrophobicContact CG2-CE2 4.06Å; I108-T184 PolarHBondContact O-N 3.26Å; I108-V193 HydrophobicContact CD1-CG2 4.3Å
109G98.7Very high98.8Very high5 Ų510.7 Ų10.75%0.0526%0.056CC..  trans-85.1154.9-175.400000113.6L117 K135G109-L117 WeakPolarHBondContact CA-O 3.46Å; G109-K135 PolarHBondContact N-O 3.03Å
110A98.7Very high98.8Very high8 Ų810.3 Ų10.37%0.0665%0.053CC..  trans-91174.9171.300000111.8L117 T184A110-L117 HydrophobicContact CB-CD1 3.81Å; A110-T184 HydrophobicContact CB-CG2 4.1Å
111W98.9Very high98.8Very high30 Ų308.1 Ų8.111%0.1144%0.043CC..SBendtrans-95.5-21.6-172.949.6-93.2000114.9P114 S137 L139 S140 Q239 I283 H287 F333W111-P114 VanDerWaalsContact O-CD 3.3Å; W111-P114 WeakPolarHBondContact O-CD 3.29Å; W111-S137 WeakPolarHBondContact CB-OG 3.38Å; W111-L139 HydrophobicContact CB-CB 3.82Å; W111-L139 HydrophobicContact CG-CB 4.04Å; W111-L139 HydrophobicContact CG-CD1 4.07Å; W111-S140 VanDerWaalsContact CA-OG 3.28Å; W111-S140 WeakPolarHBondContact CA-OG 3.36Å; W111-S140 WeakPolarHBondContact CB-OG 3.27Å; W111-S140 PolarHBondContact O-OG 3.16Å; W111-Q239 HydrophobicContact CH2-CB 4.07Å; W111-Q239 HydrophobicContact CH2-CG 4.11Å; W111-Q239 HydrophobicContact CZ3-CB 3.99Å; W111-Q239 HydrophobicContact CZ3-CG 4.21Å; W111-I283 HydrophobicContact CD2-CB 4.41Å; W111-I283 HydrophobicContact CD2-CG1 4.13Å; W111-I283 HydrophobicContact CD2-CG2 4.23Å; W111-I283 HydrophobicContact CE3-CB 3.66Å; W111-I283 HydrophobicContact CE3-CD1 4.15Å; W111-I283 HydrophobicContact CE3-CG1 3.64Å; W111-I283 HydrophobicContact CE3-CG2 3.83Å; W111-I283 HydrophobicContact CH2-CB 4.05Å; W111-I283 HydrophobicContact CH2-CG2 3.46Å; W111-I283 VanDerWaalsContact CH2-CG2 3.46Å; W111-I283 HydrophobicContact CZ2-CG2 3.92Å; W111-I283 HydrophobicContact CZ3-CB 3.48Å; W111-I283 VanDerWaalsContact CZ3-CB 3.48Å; W111-I283 HydrophobicContact CZ3-CG1 4.03Å; W111-I283 HydrophobicContact CZ3-CG2 3.45Å; W111-I283 VanDerWaalsContact CZ3-CG2 3.45Å; W111-H287 AromaticContact CZ2-CE1 3.86Å; W111-H287 AromaticContact CZ2-NE2 3.9Å; W111-F333 AromaticContact CH2-CD1 3.52Å; W111-F333 HydrophobicContact CH2-CD1 3.52Å; W111-F333 AromaticContact CH2-CE1 3.28Å; W111-F333 HydrophobicContact CH2-CE1 3.28Å; W111-F333 AromaticContact CZ2-CD1 3.69Å; W111-F333 HydrophobicContact CZ2-CD1 3.69Å; W111-F333 AromaticContact CZ2-CE1 3.39Å; W111-F333 HydrophobicContact CZ2-CE1 3.39Å; W111-F333 HydrophobicContact CZ3-CE1 4.01Å
112N98.8Very high98.8Very high4 Ų47.4 Ų7.42%0.0214%0.038CC..SBendtrans-79.1-27.7-167.361.8-48.9000114.4L49 L117 N236 Q239 F333L49-N112 VanDerWaalsContact CD1-O 3.27Å; L49-N112 WeakPolarHBondContact CD1-O 3.48Å; N112-L117 WeakPolarHBondContact OD1-CD1 3.42Å; N112-N236 PolarHBondContact O-ND2 2.98Å; N112-Q239 HydrophobicContact CB-CB 4.41Å; N112-Q239 WeakPolarHBondContact CB-O 3.41Å; N112-Q239 PolarHBondContact ND2-O 3.3Å; N112-F333 HydrophobicContact CB-CE1 3.95Å; N112-F333 HydrophobicContact CB-CZ 3.98Å; N112-F333 WeakPolarHBondContact ND2-CZ 3.38Å
113Y98.8Very high98.8Very high25 Ų255.2 Ų5.210%0.0983%0.027CC..SBendtrans-134.270.8165.5-63.2-90.9000107.2H59 E60 F115 V116 L117 M235 T240H59-Y113 HydrophobicContact CB-CE1 4.24Å; E60-Y113 HydrophobicContact CG-CD1 3.83Å; E60-Y113 WeakPolarHBondContact OE2-CA 3.46Å; Y113-F115 PolarHBondContact O-N 2.8Å; Y113-F115 VanDerWaalsContact O-N 3.17Å; Y113-V116 PolarHBondContact O-N 2.88Å; Y113-L117 WeakPolarHBondContact O-CB 3.33Å; Y113-L117 WeakPolarHBondContact O-CG 3.31Å; Y113-L117 PolarHBondContact O-N 2.77Å; Y113-M235 PolarHBondContact OH-SD 3.03Å; Y113-T240 HydrophobicContact CE2-CG2 3.81Å; Y113-T240 WeakPolarHBondContact CE2-OG1 3.28Å; Y113-T240 PolarHBondContact OH-OG1 2.95Å
114P98.8Very high98.8Very high5 Ų55.2 Ų5.23%0.0323%0.026CC..THydrogen-bonded Turntrans-68.2-21.4-160.228.4-33.2000112.5E60 W111 T118 T143E60-P114 WeakPolarHBondContact OE2-CD 3.16Å; W111-P114 VanDerWaalsContact O-CD 3.3Å; W111-P114 WeakPolarHBondContact O-CD 3.29Å; P114-T118 WeakPolarHBondContact O-CG2 3.38Å; P114-T118 PolarHBondContact O-OG1 3.18Å; P114-T143 HydrophobicContact CB-CG2 3.8Å; P114-T143 HydrophobicContact CG-CG2 3.9Å; P114-T143 WeakPolarHBondContact CG-OG1 3.41Å
115F98.8Very high98.8Very high1 Ų15.2 Ų5.20%0.0043%0.026CC..THydrogen-bonded Turntrans-83.8-47.4174.9-166.5-111.5000111.7M33 V34 I41 I45 E60 I64 Y113 T118 M119 L147M33-F115 HydrophobicContact CE-CE2 4.46Å; M33-F115 HydrophobicContact CE-CZ 4.46Å; V34-F115 HydrophobicContact CG2-CE1 4.29Å; V34-F115 HydrophobicContact CG2-CZ 3.96Å; I41-F115 HydrophobicContact CD1-CE2 4.09Å; I41-F115 HydrophobicContact CD1-CZ 3.93Å; I41-F115 HydrophobicContact CG1-CE2 4.32Å; I41-F115 HydrophobicContact CG2-CD1 4.25Å; I41-F115 HydrophobicContact CG2-CD2 3.9Å; I41-F115 HydrophobicContact CG2-CE1 4.24Å; I41-F115 HydrophobicContact CG2-CE2 3.9Å; I41-F115 HydrophobicContact CG2-CG 4.08Å; I41-F115 HydrophobicContact CG2-CZ 4.08Å; I45-F115 HydrophobicContact CD1-CB 3.81Å; I45-F115 HydrophobicContact CD1-CG 4.37Å; I45-F115 HydrophobicContact CG1-CB 4.41Å; E60-F115 PolarHBondContact OE2-N 2.79Å; I64-F115 HydrophobicContact CB-CE1 4.14Å; I64-F115 HydrophobicContact CG1-CD1 3.87Å; I64-F115 HydrophobicContact CG1-CE1 3.85Å; I64-F115 HydrophobicContact CG2-CE1 4.13Å; Y113-F115 PolarHBondContact O-N 2.8Å; Y113-F115 VanDerWaalsContact O-N 3.17Å; F115-T118 PolarHBondContact O-N 3.36Å; F115-T118 PolarHBondContact O-OG1 3Å; F115-T118 VanDerWaalsContact O-OG1 3.07Å; F115-M119 HydrophobicContact CD2-CG 3.88Å; F115-M119 HydrophobicContact CE1-CG 4.31Å; F115-M119 HydrophobicContact CE2-CG 3.62Å; F115-M119 HydrophobicContact CE2-SD 4.48Å; F115-M119 HydrophobicContact CG-CG 4.33Å; F115-M119 HydrophobicContact CZ-CG 3.84Å; F115-M119 VanDerWaalsContact O-CB 3.31Å; F115-M119 WeakPolarHBondContact O-CB 3.44Å; F115-M119 WeakPolarHBondContact O-CG 3.43Å; F115-M119 PolarHBondContact O-N 2.85Å; F115-L147 HydrophobicContact CD2-CD2 3.87Å; F115-L147 HydrophobicContact CE2-CD2 3.73Å
116V98.6Very high98.8Very high4 Ų45.2 Ų5.22%0.0243%0.026CC..Hα-helixtrans-61.6-49.9179.2172.60000111.8E60 T63 I64 Y113 T118 M119 Q120 F392E60-V116 HydrophobicContact CB-CG2 3.63Å; E60-V116 HydrophobicContact CG-CG2 3.74Å; T63-V116 HydrophobicContact CG2-CG1 4.24Å; T63-V116 HydrophobicContact CG2-CG2 4.38Å; I64-V116 HydrophobicContact CG1-CG2 4.4Å; Y113-V116 PolarHBondContact O-N 2.88Å; V116-T118 PolarHBondContact O-N 3.06Å; V116-T118 VanDerWaalsContact O-N 3.09Å; V116-M119 PolarHBondContact O-N 2.96Å; V116-Q120 HydrophobicContact CG1-CB 4.33Å; V116-Q120 WeakPolarHBondContact O-CB 3.26Å; V116-Q120 PolarHBondContact O-N 2.83Å; V116-F392 HydrophobicContact CG1-CZ 4.16Å
117L98.8Very high98.8Very high14 Ų145.2 Ų5.27%0.0733%0.026CC..Hα-helixtrans-76.42.7-172.1-59176.4000113.4G109 A110 N112 Y113 T184G109-L117 WeakPolarHBondContact CA-O 3.46Å; A110-L117 HydrophobicContact CB-CD1 3.81Å; N112-L117 WeakPolarHBondContact OD1-CD1 3.42Å; Y113-L117 WeakPolarHBondContact O-CB 3.33Å; Y113-L117 WeakPolarHBondContact O-CG 3.31Å; Y113-L117 PolarHBondContact O-N 2.77Å; L117-T184 HydrophobicContact CD1-CG2 4.06Å; L117-T184 HydrophobicContact CD2-CG2 4.25Å
118T98.8Very high98.8Very high1 Ų15.2 Ų5.21%0.0063%0.026CC..Hα-helixtrans-113.1-48.2168.953.50000111.4P114 F115 V116 L122 V134 L147P114-T118 WeakPolarHBondContact O-CG2 3.38Å; P114-T118 PolarHBondContact O-OG1 3.18Å; F115-T118 PolarHBondContact O-N 3.36Å; F115-T118 PolarHBondContact O-OG1 3Å; F115-T118 VanDerWaalsContact O-OG1 3.07Å; V116-T118 PolarHBondContact O-N 3.06Å; V116-T118 VanDerWaalsContact O-N 3.09Å; T118-L122 WeakPolarHBondContact O-CB 3.21Å; T118-L122 PolarHBondContact O-N 3.44Å; T118-V134 HydrophobicContact CG2-CG1 3.83Å; T118-L147 HydrophobicContact CG2-CD1 4.48Å
119M98.8Very high98.8Very high0 Ų04.8 Ų4.80%02%0.024CC..Hα-helixtrans-79.5-35.7-172.9-62.7-60.496.100113.3L30 M33 I64 F115 V116 L122 V123 V134 L147 L151L30-M119 HydrophobicContact CD1-SD 4.25Å; M33-M119 HydrophobicContact CE-SD 4.4Å; I64-M119 HydrophobicContact CD1-CB 3.77Å; I64-M119 HydrophobicContact CG1-CB 4.16Å; I64-M119 HydrophobicContact CG2-CB 4.39Å; F115-M119 HydrophobicContact CD2-CG 3.88Å; F115-M119 HydrophobicContact CE1-CG 4.31Å; F115-M119 HydrophobicContact CE2-CG 3.62Å; F115-M119 HydrophobicContact CE2-SD 4.48Å; F115-M119 HydrophobicContact CG-CG 4.33Å; F115-M119 HydrophobicContact CZ-CG 3.84Å; F115-M119 VanDerWaalsContact O-CB 3.31Å; F115-M119 WeakPolarHBondContact O-CB 3.44Å; F115-M119 WeakPolarHBondContact O-CG 3.43Å; F115-M119 PolarHBondContact O-N 2.85Å; V116-M119 PolarHBondContact O-N 2.96Å; M119-L122 HydrophobicContact CE-CD2 3.94Å; M119-L122 WeakPolarHBondContact O-CB 3.4Å; M119-L122 PolarHBondContact O-N 3.34Å; M119-L122 VanDerWaalsContact O-N 3.12Å; M119-L122 HydrophobicContact SD-CD2 4.04Å; M119-V123 WeakPolarHBondContact O-CG2 3.45Å; M119-V123 PolarHBondContact O-N 3.43Å; M119-V134 HydrophobicContact CE-CG1 4.3Å; M119-V134 HydrophobicContact CE-CG2 4.43Å; M119-L147 HydrophobicContact CE-CD1 4.23Å; M119-L147 HydrophobicContact CE-CD2 3.87Å; M119-L147 HydrophobicContact CG-CD2 4.28Å; M119-L147 HydrophobicContact SD-CD2 3.89Å; M119-L151 HydrophobicContact CE-CD1 4.45Å
120Q98.8Very high98.9Very high3 Ų34.5 Ų4.51%0.0142%0.022CC..Hα-helixtrans-64.6-45.6-179-160.2-172.414.800111.7I64 E67 V116 L122 V123 G124 Y410 H411I64-Q120 HydrophobicContact CD1-CB 3.6Å; I64-Q120 HydrophobicContact CD1-CG 4.29Å; I64-Q120 VanDerWaalsContact CD1-N 3.33Å; E67-Q120 HydrophobicContact CB-CG 4.18Å; E67-Q120 HydrophobicContact CG-CG 3.77Å; V116-Q120 HydrophobicContact CG1-CB 4.33Å; V116-Q120 WeakPolarHBondContact O-CB 3.26Å; V116-Q120 PolarHBondContact O-N 2.83Å; Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 3.29Å; Q120-V123 WeakPolarHBondContact O-CB 3.22Å; Q120-V123 PolarHBondContact O-N 3.19Å; Q120-G124 PolarHBondContact O-N 3.43Å; Q120-Y410 HydrophobicContact CB-CE2 4.24Å; Q120-Y410 HydrophobicContact CG-CE2 4.14Å; Q120-Y410 PolarHBondContact OE1-OH 3.42Å; Q120-H411 PolarHBondContact NE2-CD2 3.33Å; Q120-H411 PolarHBondContact NE2-CE1 2.89Å; Q120-H411 PolarHBondContact NE2-NE2 3.45Å; Q120-H411 PolarHBondContact OE1-NE2 3.28Å
121P98.9Very high98.9Very high0 Ų04.1 Ų4.10%02%0.018CC..Hα-helixtrans-60.4-37.4169.5-26.237.4000113.7I107 V123 G124 A125 L182 Y410 F419I107-P121 HydrophobicContact CD1-CB 3.96Å; I107-P121 HydrophobicContact CG1-CB 4.04Å; I107-P121 HydrophobicContact CG2-CB 3.86Å; I107-P121 HydrophobicContact CG2-CG 4.21Å; P121-V123 PolarHBondContact O-N 3.26Å; P121-G124 PolarHBondContact O-N 3.02Å; P121-A125 PolarHBondContact O-N 3.4Å; P121-L182 HydrophobicContact CB-CD1 4.13Å; P121-L182 HydrophobicContact CB-CD2 4.06Å; P121-L182 HydrophobicContact CG-CD1 4.35Å; P121-L182 HydrophobicContact CG-CD2 3.83Å; P121-Y410 HydrophobicContact CG-CD2 4.3Å; P121-Y410 HydrophobicContact CG-CE2 3.86Å; P121-F419 HydrophobicContact CB-CZ 4.33Å; P121-F419 VanDerWaalsContact O-CE2 3.27Å; P121-F419 WeakPolarHBondContact O-CE2 3.34Å
122L98.9Very high98.9Very high0 Ų02.7 Ų2.70%01%0.013CC..Hα-helixtrans-64.2-40.7-179.9178.264.7000111.7I107 T118 M119 Q120 G124 A125 I126 A132 V134 L151 L155 Y160I107-L122 HydrophobicContact CD1-CB 3.94Å; I107-L122 HydrophobicContact CD1-CD1 4.27Å; T118-L122 WeakPolarHBondContact O-CB 3.21Å; T118-L122 PolarHBondContact O-N 3.44Å; M119-L122 HydrophobicContact CE-CD2 3.94Å; M119-L122 WeakPolarHBondContact O-CB 3.4Å; M119-L122 PolarHBondContact O-N 3.34Å; M119-L122 VanDerWaalsContact O-N 3.12Å; M119-L122 HydrophobicContact SD-CD2 4.04Å; Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 3.29Å; L122-G124 VanDerWaalsContact C-N 3.27Å; L122-G124 PolarHBondContact O-N 2.94Å; L122-A125 PolarHBondContact O-N 3.18Å; L122-A125 VanDerWaalsContact O-N 3.14Å; L122-I126 HydrophobicContact CD1-CD1 4.1Å; L122-I126 HydrophobicContact CD1-CG1 4.12Å; L122-I126 HydrophobicContact CD2-CD1 4.36Å; L122-I126 HydrophobicContact CG-CD1 3.81Å; L122-I126 HydrophobicContact CG-CG1 4.29Å; L122-I126 VanDerWaalsContact O-CG1 3.29Å; L122-I126 WeakPolarHBondContact O-CG1 3.31Å; L122-I126 PolarHBondContact O-N 3.15Å; L122-A132 HydrophobicContact CD1-CB 3.59Å; L122-V134 HydrophobicContact CB-CG2 4.33Å; L122-V134 HydrophobicContact CD1-CG2 4.1Å; L122-V134 HydrophobicContact CD2-CG2 4.11Å; L122-V134 HydrophobicContact CG-CG2 4.4Å; L122-L151 HydrophobicContact CD2-CD1 3.76Å; L122-L155 HydrophobicContact CD2-CD1 4.32Å; L122-Y160 HydrophobicContact CD1-CD1 4.27Å
123V98.9Very high98.9Very high0 Ų02.5 Ų2.50%01%0.012CC..Hα-helixtrans-53.4-47.7173.2167.10000110.5L27 L30 E67 I68 M71 M119 Q120 P121 A127L27-V123 HydrophobicContact CD2-CB 4.46Å; L27-V123 HydrophobicContact CD2-CG1 3.99Å; L30-V123 HydrophobicContact CD2-CG2 3.56Å; E67-V123 HydrophobicContact CG-CB 4.22Å; E67-V123 HydrophobicContact CG-CG1 3.74Å; I68-V123 HydrophobicContact CD1-CG2 4.34Å; I68-V123 HydrophobicContact CG1-CG1 4.38Å; I68-V123 HydrophobicContact CG1-CG2 3.56Å; M71-V123 HydrophobicContact CB-CG1 4.21Å; M71-V123 HydrophobicContact CG-CG1 3.53Å; M119-V123 WeakPolarHBondContact O-CG2 3.45Å; M119-V123 PolarHBondContact O-N 3.43Å; Q120-V123 WeakPolarHBondContact O-CB 3.22Å; Q120-V123 PolarHBondContact O-N 3.19Å; P121-V123 PolarHBondContact O-N 3.26Å; V123-A127 VanDerWaalsContact O-CB 3.28Å; V123-A127 WeakPolarHBondContact O-CB 3.29Å; V123-A127 PolarHBondContact O-N 3.07Å
124G98.9Very high98.9Very high0 Ų01.4 Ų1.40%01%0.008CC..Hα-helixtrans-58.3-48.1173.600000114.3Q120 P121 L122 A127 A128Q120-G124 PolarHBondContact O-N 3.43Å; P121-G124 PolarHBondContact O-N 3.02Å; L122-G124 VanDerWaalsContact C-N 3.27Å; L122-G124 PolarHBondContact O-N 2.94Å; G124-A127 PolarHBondContact O-N 3.18Å; G124-A128 WeakPolarHBondContact O-CB 3.37Å; G124-A128 PolarHBondContact O-N 3.15Å
125A98.9Very high98.9Very high0 Ų01.4 Ų1.40%01%0.007CC..Hα-helixtrans-64.9-41.2-177.400000112.1V105 I107 P121 L122 G129 N130 A132 F419V105-A125 HydrophobicContact CB-CB 4.41Å; V105-A125 HydrophobicContact CG1-CB 4.45Å; V105-A125 HydrophobicContact CG2-CB 4.44Å; I107-A125 HydrophobicContact CD1-CB 4.36Å; P121-A125 PolarHBondContact O-N 3.4Å; L122-A125 PolarHBondContact O-N 3.18Å; L122-A125 VanDerWaalsContact O-N 3.14Å; A125-G129 PolarHBondContact O-N 3.47Å; A125-N130 WeakPolarHBondContact O-CB 3.36Å; A125-N130 PolarHBondContact O-N 3.03Å; A125-N130 PolarHBondContact O-ND2 3.31Å; A125-A132 HydrophobicContact CB-CB 4.33Å; A125-F419 HydrophobicContact CB-CD2 4.13Å; A125-F419 HydrophobicContact CB-CE2 4.37Å; A125-F419 HydrophobicContact CB-CG 4.25Å
126I98.9Very high98.9Very high0 Ų01.6 Ų1.60%01%0.009CC..Hα-helixtrans-61.4-49.9173.5-68168000110.1Q26 L27 L30 L122 A128 G129 L155 Y160Q26-I126 HydrophobicContact CB-CG2 3.79Å; L27-I126 HydrophobicContact CD2-CB 4.15Å; L27-I126 HydrophobicContact CD2-CG2 3.89Å; L27-I126 HydrophobicContact CG-CG2 3.91Å; L30-I126 HydrophobicContact CD2-CD1 4.41Å; L122-I126 HydrophobicContact CD1-CD1 4.1Å; L122-I126 HydrophobicContact CD1-CG1 4.12Å; L122-I126 HydrophobicContact CD2-CD1 4.36Å; L122-I126 HydrophobicContact CG-CD1 3.81Å; L122-I126 HydrophobicContact CG-CG1 4.29Å; L122-I126 VanDerWaalsContact O-CG1 3.29Å; L122-I126 WeakPolarHBondContact O-CG1 3.31Å; L122-I126 PolarHBondContact O-N 3.15Å; I126-A128 VanDerWaalsContact C-N 3.31Å; I126-A128 PolarHBondContact O-N 3.32Å; I126-G129 WeakPolarHBondContact O-CA 3.47Å; I126-G129 PolarHBondContact O-N 2.95Å; I126-L155 HydrophobicContact CD1-CD1 4Å; I126-Y160 HydrophobicContact CB-CE1 4.41Å; I126-Y160 HydrophobicContact CD1-CE1 4.37Å; I126-Y160 HydrophobicContact CG1-CD1 3.96Å; I126-Y160 HydrophobicContact CG1-CE1 3.46Å; I126-Y160 VanDerWaalsContact CG1-CE1 3.46Å
127A98.9Very high98.9Very high0 Ų02 Ų20%01%0.012CC..Hα-helixtrans-58-43.2-179.500000111.6R23 L27 M71 L75 V123 G124 G129 F416R23-A127 WeakPolarHBondContact CD-O 3.39Å; R23-A127 PolarHBondContact NH1-O 3.16Å; L27-A127 HydrophobicContact CD1-CB 4.36Å; M71-A127 HydrophobicContact CE-CB 4.45Å; M71-A127 HydrophobicContact CG-CB 4.27Å; M71-A127 HydrophobicContact SD-CB 3.85Å; L75-A127 HydrophobicContact CD1-CB 4.01Å; L75-A127 WeakPolarHBondContact CD1-O 3.37Å; L75-A127 HydrophobicContact CD2-CB 4.31Å; V123-A127 VanDerWaalsContact O-CB 3.28Å; V123-A127 WeakPolarHBondContact O-CB 3.29Å; V123-A127 PolarHBondContact O-N 3.07Å; G124-A127 PolarHBondContact O-N 3.18Å; A127-G129 PolarHBondContact O-N 3.33Å; A127-F416 HydrophobicContact CB-CD2 4.39Å
128A98.9Very high98.9Very high0 Ų05.4 Ų5.40%03%0.027CC..Hα-helixtrans-68.5-14.6175.300000114.1R23 P101 G124 I126 N130 F416 F419 S420R23-A128 PolarHBondContact NH1-O 3.4Å; P101-A128 WeakPolarHBondContact CB-O 3.47Å; G124-A128 WeakPolarHBondContact O-CB 3.37Å; G124-A128 PolarHBondContact O-N 3.15Å; I126-A128 VanDerWaalsContact C-N 3.31Å; I126-A128 PolarHBondContact O-N 3.32Å; A128-N130 VanDerWaalsContact CB-ND2 3.27Å; A128-N130 WeakPolarHBondContact CB-ND2 3.21Å; A128-F416 HydrophobicContact CB-CD2 4.25Å; A128-F416 HydrophobicContact CB-CE2 4.49Å; A128-F419 HydrophobicContact CB-CB 3.71Å; A128-F419 WeakPolarHBondContact CB-O 3.4Å; A128-S420 WeakPolarHBondContact CB-OG 3.43Å
129G98.9Very high98.9Very high0 Ų08.5 Ų8.50%04%0.043CC..THydrogen-bonded Turntrans93.520.4174.500000114.7S17 P101 A125 I126 A127S17-G129 WeakPolarHBondContact CB-O 3.32Å; S17-G129 PolarHBondContact OG-O 2.92Å; P101-G129 WeakPolarHBondContact CB-O 3.11Å; A125-G129 PolarHBondContact O-N 3.47Å; I126-G129 WeakPolarHBondContact O-CA 3.47Å; I126-G129 PolarHBondContact O-N 2.95Å; A127-G129 PolarHBondContact O-N 3.33Å
130N99Very high98.8Very high0 Ų08.5 Ų8.50%04%0.043CC..  trans-84.5161.3-179-60.1-77000111.9L102 G103 V105 A125 A128 Y160 F419L102-N130 PolarHBondContact N-OD1 2.79Å; G103-N130 PolarHBondContact N-OD1 3.46Å; G103-N130 WeakPolarHBondContact O-CA 3.44Å; G103-N130 WeakPolarHBondContact O-CB 3.47Å; V105-N130 HydrophobicContact CG2-CB 3.73Å; A125-N130 WeakPolarHBondContact O-CB 3.36Å; A125-N130 PolarHBondContact O-N 3.03Å; A125-N130 PolarHBondContact O-ND2 3.31Å; A128-N130 VanDerWaalsContact CB-ND2 3.27Å; A128-N130 WeakPolarHBondContact CB-ND2 3.21Å; N130-Y160 WeakPolarHBondContact O-CE1 3.46Å; N130-F419 PolarHBondContact ND2-O 3.29Å
131A98.9Very high98.8Very high0 Ų013.6 Ų13.60%07%0.067CC..EExtended strand (participates in β ladder)trans-81.6154.5152.900000108.9L8 F12 G103 V104 V105 L159L8-A131 HydrophobicContact CB-CB 4.29Å; F12-A131 HydrophobicContact CB-CB 4.08Å; G103-A131 PolarHBondContact O-N 2.84Å; V104-A131 WeakPolarHBondContact CA-O 3.37Å; V104-A131 HydrophobicContact CG1-CB 4.43Å; V104-A131 HydrophobicContact CG2-CB 4.31Å; V105-A131 PolarHBondContact N-O 3Å; A131-L159 CarbonylContact C-O 3.5Å; A131-L159 VanDerWaalsContact CA-O 3.29Å; A131-L159 WeakPolarHBondContact CA-O 3.43Å; A131-L159 HydrophobicContact CB-CD2 3.71Å; A131-L159 WeakPolarHBondContact CB-O 3.45Å
132A98.9Very high98.8Very high0 Ų016.8 Ų16.80%08%0.084CC..EExtended strand (participates in β ladder)trans-142.2138.6-179.500000113.4L8 V105 I107 L122 A125 L159 Y160 A161L8-A132 WeakPolarHBondContact CD2-O 3.33Å; V105-A132 CarbonylContact O-C 3.58Å; V105-A132 VanDerWaalsContact O-CA 3.28Å; V105-A132 WeakPolarHBondContact O-CA 3.31Å; I107-A132 HydrophobicContact CD1-CB 4.43Å; L122-A132 HydrophobicContact CD1-CB 3.59Å; A125-A132 HydrophobicContact CB-CB 4.33Å; A132-L159 PolarHBondContact N-O 3.08Å; A132-Y160 HydrophobicContact CB-CD1 4.22Å; A132-Y160 WeakPolarHBondContact O-CA 3.41Å; A132-A161 PolarHBondContact O-N 3.43Å
133I98.9Very high98.8Very high0 Ų016.8 Ų16.80%08%0.084CC..EExtended strand (participates in β ladder)trans-103.5127.2160.9-64.6-174000107.8V5 L8 V105 L106 I107 A161 V163 L173 F178V5-I133 HydrophobicContact CG2-CD1 3.67Å; L8-I133 HydrophobicContact CD2-CD1 4.09Å; L8-I133 HydrophobicContact CD2-CG1 3.33Å; V105-I133 PolarHBondContact O-N 2.93Å; L106-I133 WeakPolarHBondContact CA-O 3.24Å; L106-I133 HydrophobicContact CD1-CB 4.06Å; L106-I133 HydrophobicContact CD1-CG2 3.88Å; I107-I133 PolarHBondContact N-O 3.09Å; I133-A161 WeakPolarHBondContact CA-O 3.48Å; I133-V163 HydrophobicContact CD1-CG2 4.49Å; I133-V163 HydrophobicContact CG2-CB 3.98Å; I133-V163 HydrophobicContact CG2-CG2 3.56Å; I133-L173 HydrophobicContact CD1-CD1 4.35Å; I133-L173 HydrophobicContact CG2-CD2 4.35Å; I133-F178 HydrophobicContact CB-CE1 4.47Å; I133-F178 HydrophobicContact CD1-CE1 4.02Å; I133-F178 HydrophobicContact CD1-CZ 4.26Å; I133-F178 HydrophobicContact CG1-CE1 4.4Å
134V98.9Very high98.8Very high2 Ų217.1 Ų17.11%0.0129%0.087CC..EExtended strand (participates in β ladder)trans-101.1128.3167.4-179.60000108.2I107 T118 M119 L122 P136 A161 I162 V163I107-V134 HydrophobicContact CB-CG2 4.35Å; I107-V134 HydrophobicContact CD1-CG2 4.24Å; I107-V134 CarbonylContact O-C 3.47Å; I107-V134 WeakPolarHBondContact O-CA 2.93Å; T118-V134 HydrophobicContact CG2-CG1 3.83Å; M119-V134 HydrophobicContact CE-CG1 4.3Å; M119-V134 HydrophobicContact CE-CG2 4.43Å; L122-V134 HydrophobicContact CB-CG2 4.33Å; L122-V134 HydrophobicContact CD1-CG2 4.1Å; L122-V134 HydrophobicContact CD2-CG2 4.11Å; L122-V134 HydrophobicContact CG-CG2 4.4Å; V134-P136 HydrophobicContact CG1-CG 4.37Å; V134-P136 WeakPolarHBondContact O-CD 3.19Å; V134-A161 PolarHBondContact N-O 2.94Å; V134-I162 HydrophobicContact CB-CD1 3.66Å; V134-I162 HydrophobicContact CG1-CD1 4.07Å; V134-I162 HydrophobicContact CG2-CD1 4.38Å; V134-I162 CarbonylContact O-C 3.56Å; V134-I162 WeakPolarHBondContact O-CA 3.41Å; V134-V163 PolarHBondContact O-N 3.44Å
135K98.8Very high98.8Very high5 Ų522.4 Ų22.42%0.02211%0.11CC..EExtended strand (participates in β ladder)trans-109.996.6171.7-166.4-79.3153.7-167.50107.5L106 I107 I108 G109 E138 V163 G165 T170 L173L106-K135 HydrophobicContact CD1-CB 4.42Å; I107-K135 PolarHBondContact O-N 2.9Å; I108-K135 HydrophobicContact CG1-CB 4.35Å; I108-K135 HydrophobicContact CG2-CD 4.2Å; G109-K135 PolarHBondContact N-O 3.03Å; K135-E138 IonicContact NZ-OE2 2.84Å; K135-E138 PolarHBondContact NZ-OE2 3.12Å; K135-V163 WeakPolarHBondContact CA-O 3.44Å; K135-V163 WeakPolarHBondContact CG-O 3.33Å; K135-G165 WeakPolarHBondContact CE-O 3.48Å; K135-G165 PolarHBondContact NZ-O 3.47Å; K135-T170 WeakPolarHBondContact CE-OG1 3.47Å; K135-L173 HydrophobicContact CB-CD2 4.16Å; K135-L173 HydrophobicContact CG-CD2 4.09Å
136P98.9Very high98.8Very high5 Ų523.3 Ų23.33%0.03212%0.115CC..  trans-64.9155.7174.8-20.633.8000111.8V134 A144 L147 I162 N164V134-P136 HydrophobicContact CG1-CG 4.37Å; V134-P136 WeakPolarHBondContact O-CD 3.19Å; P136-A144 HydrophobicContact CB-CB 3.7Å; P136-A144 HydrophobicContact CG-CB 4.36Å; P136-L147 HydrophobicContact CG-CD1 4.28Å; P136-I162 HydrophobicContact CG-CG2 3.84Å; P136-N164 WeakPolarHBondContact CD-OD1 3.23Å; P136-N164 WeakPolarHBondContact CG-OD1 2.95Å
137S98.7Very high98.8Very high12 Ų1223.4 Ų23.48%0.08412%0.115CC..  trans-68.8134.8172.9-179.10000111W111 L139 S140W111-S137 WeakPolarHBondContact CB-OG 3.38Å; S137-L139 PolarHBondContact O-N 3.34Å; S137-L139 PolarHBondContact OG-N 2.92Å; S137-S140 PolarHBondContact O-N 2.55Å
138E98.2Very high98.8Very high86 Ų8625.1 Ų25.140%0.40213%0.129SC..THydrogen-bonded Turntrans-67.2-15.7174.665.3-88.8-152.700113.4K135K135-E138 IonicContact NZ-OE2 2.84Å; K135-E138 PolarHBondContact NZ-OE2 3.12Å
139L98.6Very high98.8Very high65 Ų6530.4 Ų30.434%0.3415%0.154SC..THydrogen-bonded Turntrans-79.2-21.3-179.4-58.9-176.3000113.2W111 S137 I283W111-L139 HydrophobicContact CB-CB 3.82Å; W111-L139 HydrophobicContact CG-CB 4.04Å; W111-L139 HydrophobicContact CG-CD1 4.07Å; S137-L139 PolarHBondContact O-N 3.34Å; S137-L139 PolarHBondContact OG-N 2.92Å; L139-I283 HydrophobicContact CB-CG1 4.25Å
140S98.7Very high98.8Very high1 Ų130.4 Ų30.41%0.00715%0.154CC..SBendtrans-109.669.1174.1-57.90000108.9D48 W111 S137 N142 T143 A144D48-S140 VanDerWaalsContact CG-C 3.47Å; D48-S140 VanDerWaalsContact CG-CA 3.48Å; D48-S140 WeakPolarHBondContact OD2-CA 3.21Å; D48-S140 WeakPolarHBondContact OD2-CB 3.32Å; W111-S140 VanDerWaalsContact CA-OG 3.28Å; W111-S140 WeakPolarHBondContact CA-OG 3.36Å; W111-S140 WeakPolarHBondContact CB-OG 3.27Å; W111-S140 PolarHBondContact O-OG 3.16Å; S137-S140 PolarHBondContact O-N 2.55Å; S140-N142 PolarHBondContact O-N 2.92Å; S140-T143 PolarHBondContact O-N 2.88Å; S140-A144 WeakPolarHBondContact O-CB 3.41Å; S140-A144 PolarHBondContact O-N 3.3Å
141E98.6Very high98.7Very high109 Ų10930.4 Ų30.451%0.50915%0.154SC..Hα-helixtrans-62.9-39.5-166.3-174.1-176.2162.700112.7D48 A144 K145D48-E141 PolarHBondContact OD1-N 3.38Å; E141-A144 PolarHBondContact O-N 2.92Å; E141-K145 HydrophobicContact CG-CD 4.36Å; E141-K145 WeakPolarHBondContact O-CG 3.47Å; E141-K145 PolarHBondContact O-N 3.44Å; E141-K145 WeakPolarHBondContact OE1-CE 3.39Å; E141-K145 IonicContact OE1-NZ 3.14Å; E141-K145 PolarHBondContact OE1-NZ 3.1Å
142N98.9Very high98.7Very high67 Ų6732.6 Ų32.636%0.35817%0.168SC..Hα-helixtrans-67.9-43.1-178.3-61.5-76.9000110.3A44 A47 D48 S140 K145 I146A44-N142 HydrophobicContact CB-CB 4.05Å; A47-N142 HydrophobicContact CB-CB 4.21Å; D48-N142 WeakPolarHBondContact OD1-CB 3.27Å; D48-N142 PolarHBondContact OD1-N 3.09Å; D48-N142 PolarHBondContact OD1-ND2 2.93Å; D48-N142 PolarHBondContact OD2-N 3.48Å; S140-N142 PolarHBondContact O-N 2.92Å; N142-K145 PolarHBondContact O-N 2.97Å; N142-I146 PolarHBondContact O-N 2.99Å
143T98.9Very high98.7Very high1 Ų137.7 Ų37.71%0.00619%0.192CC..Hα-helixtrans-64-42175.8-52.30000111.2D48 P114 S140 K145 I146 L147D48-T143 VanDerWaalsContact OD2-CB 3.31Å; D48-T143 WeakPolarHBondContact OD2-CB 3.41Å; D48-T143 PolarHBondContact OD2-N 3.34Å; D48-T143 PolarHBondContact OD2-OG1 3.01Å; P114-T143 HydrophobicContact CB-CG2 3.8Å; P114-T143 HydrophobicContact CG-CG2 3.9Å; P114-T143 WeakPolarHBondContact CG-OG1 3.41Å; S140-T143 PolarHBondContact O-N 2.88Å; T143-K145 VanDerWaalsContact C-N 3.32Å; T143-K145 PolarHBondContact O-N 2.76Å; T143-I146 WeakPolarHBondContact O-CG2 3.5Å; T143-I146 PolarHBondContact O-N 3.19Å; T143-L147 HydrophobicContact CG2-CD1 4.09Å; T143-L147 HydrophobicContact CG2-CG 4.34Å; T143-L147 WeakPolarHBondContact O-CB 3.34Å; T143-L147 VanDerWaalsContact O-CG 3.25Å; T143-L147 WeakPolarHBondContact O-CG 3.36Å; T143-L147 PolarHBondContact O-N 2.61Å
144A98.8Very high98.7Very high7 Ų739.1 Ų39.16%0.05820%0.198CC..Hα-helixtrans-61.2-38.9176.700000112.9P136 S140 E141 A148 N164P136-A144 HydrophobicContact CB-CB 3.7Å; P136-A144 HydrophobicContact CG-CB 4.36Å; S140-A144 WeakPolarHBondContact O-CB 3.41Å; S140-A144 PolarHBondContact O-N 3.3Å; E141-A144 PolarHBondContact O-N 2.92Å; A144-A148 PolarHBondContact O-N 3.11Å; A144-N164 PolarHBondContact O-ND2 3.29Å
145K98.8Very high98.7Very high110 Ų11039.3 Ų39.348%0.47820%0.199SC..Hα-helixtrans-67.2-51.4176.4-74.9171.3-177.1168.60111.8E141 N142 T143 L147 A148 E149E141-K145 HydrophobicContact CG-CD 4.36Å; E141-K145 WeakPolarHBondContact O-CG 3.47Å; E141-K145 PolarHBondContact O-N 3.44Å; E141-K145 WeakPolarHBondContact OE1-CE 3.39Å; E141-K145 IonicContact OE1-NZ 3.14Å; E141-K145 PolarHBondContact OE1-NZ 3.1Å; N142-K145 PolarHBondContact O-N 2.97Å; T143-K145 VanDerWaalsContact C-N 3.32Å; T143-K145 PolarHBondContact O-N 2.76Å; K145-L147 VanDerWaalsContact C-N 3.3Å; K145-L147 PolarHBondContact O-N 2.83Å; K145-A148 WeakPolarHBondContact O-CB 3.26Å; K145-A148 PolarHBondContact O-N 3.4Å; K145-A148 VanDerWaalsContact O-N 3.12Å; K145-E149 PolarHBondContact O-N 3.42Å
146I98.7Very high98.7Very high19 Ų1940.5 Ų40.510%0.09721%0.205CC..Hα-helixtrans-65.2-36.2-176.5-164.859.9000111.3E40 A44 N142 T143 A148 E149 L150E40-I146 HydrophobicContact CB-CD1 4.07Å; E40-I146 HydrophobicContact CB-CG1 4.3Å; A44-I146 HydrophobicContact CB-CB 4.32Å; A44-I146 HydrophobicContact CB-CG2 3.69Å; N142-I146 PolarHBondContact O-N 2.99Å; T143-I146 WeakPolarHBondContact O-CG2 3.5Å; T143-I146 PolarHBondContact O-N 3.19Å; I146-A148 VanDerWaalsContact C-N 3.34Å; I146-A148 PolarHBondContact O-N 3.39Å; I146-E149 PolarHBondContact O-N 3.46Å; I146-L150 HydrophobicContact CD1-CD1 4.02Å; I146-L150 HydrophobicContact CD1-CD2 4.15Å; I146-L150 HydrophobicContact CD1-CG 3.84Å; I146-L150 HydrophobicContact CG1-CD1 3.68Å; I146-L150 HydrophobicContact CG1-CG 3.9Å; I146-L150 WeakPolarHBondContact O-CB 3.48Å; I146-L150 VanDerWaalsContact O-CG 3.28Å; I146-L150 WeakPolarHBondContact O-CG 3.29Å; I146-L150 PolarHBondContact O-N 2.94Å
147L98.7Very high98.7Very high2 Ų245.7 Ų45.71%0.0123%0.229CC..Hα-helixtrans-61.5-41.9173.8-73.4176.6000112.2F115 T118 M119 P136 T143 K145 E149 L151 I162F115-L147 HydrophobicContact CD2-CD2 3.87Å; F115-L147 HydrophobicContact CE2-CD2 3.73Å; T118-L147 HydrophobicContact CG2-CD1 4.48Å; M119-L147 HydrophobicContact CE-CD1 4.23Å; M119-L147 HydrophobicContact CE-CD2 3.87Å; M119-L147 HydrophobicContact CG-CD2 4.28Å; M119-L147 HydrophobicContact SD-CD2 3.89Å; P136-L147 HydrophobicContact CG-CD1 4.28Å; T143-L147 HydrophobicContact CG2-CD1 4.09Å; T143-L147 HydrophobicContact CG2-CG 4.34Å; T143-L147 WeakPolarHBondContact O-CB 3.34Å; T143-L147 VanDerWaalsContact O-CG 3.25Å; T143-L147 WeakPolarHBondContact O-CG 3.36Å; T143-L147 PolarHBondContact O-N 2.61Å; K145-L147 VanDerWaalsContact C-N 3.3Å; K145-L147 PolarHBondContact O-N 2.83Å; L147-E149 VanDerWaalsContact C-N 3.3Å; L147-E149 PolarHBondContact O-N 3.27Å; L147-L151 VanDerWaalsContact O-CB 3.23Å; L147-L151 WeakPolarHBondContact O-CB 3.3Å; L147-L151 PolarHBondContact O-N 2.82Å; L147-L151 VanDerWaalsContact O-N 3.11Å; L147-I162 HydrophobicContact CB-CD1 4.35Å; L147-I162 HydrophobicContact CB-CG1 4.49Å
148A98.6Very high98.6Very high36 Ų3648.2 Ų48.230%0.29824%0.242SC..Hα-helixtrans-66.4-32.6177.600000112.8A144 K145 I146 P152 I162A144-A148 PolarHBondContact O-N 3.11Å; K145-A148 WeakPolarHBondContact O-CB 3.26Å; K145-A148 PolarHBondContact O-N 3.4Å; K145-A148 VanDerWaalsContact O-N 3.12Å; I146-A148 VanDerWaalsContact C-N 3.34Å; I146-A148 PolarHBondContact O-N 3.39Å; A148-P152 VanDerWaalsContact O-CD 3.28Å; A148-P152 WeakPolarHBondContact O-CD 3.29Å; A148-P152 WeakPolarHBondContact O-CG 3.43Å; A148-I162 HydrophobicContact CB-CB 4.11Å; A148-I162 HydrophobicContact CB-CG1 4.47Å; A148-I162 HydrophobicContact CB-CG2 3.83Å
149E98.6Very high98.7Very high111 Ų11144.1 Ų44.152%0.51922%0.223SC..Hα-helixtrans-75.3-47.5177.1-173.8-173.2145.700112.2K145 I146 L147 Q153K145-E149 PolarHBondContact O-N 3.42Å; I146-E149 PolarHBondContact O-N 3.46Å; L147-E149 VanDerWaalsContact C-N 3.3Å; L147-E149 PolarHBondContact O-N 3.27Å; E149-Q153 PolarHBondContact O-NE2 2.82Å
150L98.7Very high98.7Very high1 Ų141.1 Ų41.11%0.00521%0.207CC..Hα-helixtrans-79.6-44.1-170.3-64.7-174.5000112.9M33 R37 I41 I146 P152 Q153 Y154M33-L150 HydrophobicContact CG-CB 4.09Å; M33-L150 HydrophobicContact CG-CD1 4.42Å; M33-L150 HydrophobicContact SD-CB 3.86Å; R37-L150 HydrophobicContact CB-CD1 3.63Å; R37-L150 HydrophobicContact CB-CD2 4.29Å; R37-L150 HydrophobicContact CG-CD1 4.04Å; R37-L150 HydrophobicContact CG-CD2 3.94Å; I41-L150 HydrophobicContact CD1-CD1 4.36Å; I41-L150 HydrophobicContact CG1-CD1 4.07Å; I146-L150 HydrophobicContact CD1-CD1 4.02Å; I146-L150 HydrophobicContact CD1-CD2 4.15Å; I146-L150 HydrophobicContact CD1-CG 3.84Å; I146-L150 HydrophobicContact CG1-CD1 3.68Å; I146-L150 HydrophobicContact CG1-CG 3.9Å; I146-L150 WeakPolarHBondContact O-CB 3.48Å; I146-L150 VanDerWaalsContact O-CG 3.28Å; I146-L150 WeakPolarHBondContact O-CG 3.29Å; I146-L150 PolarHBondContact O-N 2.94Å; L150-P152 VanDerWaalsContact C-CD 3.49Å; L150-Q153 WeakPolarHBondContact O-CB 3.21Å; L150-Q153 PolarHBondContact O-N 2.76Å; L150-Y154 WeakPolarHBondContact O-CD2 3.22Å
151L98.4Very high98.7Very high0 Ų041.4 Ų41.40%021%0.209CC..Hα-helixtrans-55.8-42.4-169.7-168.7146.2000113.5M119 L122 L147 Q153 Y154 L155 Y160 I162M119-L151 HydrophobicContact CE-CD1 4.45Å; L122-L151 HydrophobicContact CD2-CD1 3.76Å; L147-L151 VanDerWaalsContact O-CB 3.23Å; L147-L151 WeakPolarHBondContact O-CB 3.3Å; L147-L151 PolarHBondContact O-N 2.82Å; L147-L151 VanDerWaalsContact O-N 3.11Å; L151-Q153 PolarHBondContact O-N 3.5Å; L151-Y154 PolarHBondContact O-N 2.61Å; L151-L155 HydrophobicContact CD1-CD1 4.17Å; L151-L155 HydrophobicContact CD2-CB 4.23Å; L151-L155 HydrophobicContact CD2-CD1 4.21Å; L151-L155 HydrophobicContact CG-CB 4.45Å; L151-L155 HydrophobicContact CG-CD1 3.93Å; L151-L155 HydrophobicContact CG-CG 4.28Å; L151-L155 PolarHBondContact O-N 3.45Å; L151-Y160 WeakPolarHBondContact CD2-O 3.16Å; L151-I162 HydrophobicContact CB-CG1 4.26Å; L151-I162 HydrophobicContact CD1-CD1 3.82Å; L151-I162 HydrophobicContact CD1-CG1 4.36Å
152P98.4Very high98.7Very high46 Ų4637.3 Ų37.330%0.29919%0.19SC..Hα-helixtrans-66.4-17.1176.2-21.434.7000115.4A148 L150 Q157A148-P152 VanDerWaalsContact O-CD 3.28Å; A148-P152 WeakPolarHBondContact O-CD 3.29Å; A148-P152 WeakPolarHBondContact O-CG 3.43Å; L150-P152 VanDerWaalsContact C-CD 3.49Å; P152-Q157 HydrophobicContact CB-CG 3.99Å; P152-Q157 WeakPolarHBondContact O-CG 3.29Å; P152-Q157 PolarHBondContact O-NE2 2.87Å
153Q98.8Very high98.7Very high106 Ų10634.3 Ų34.350%0.49517%0.174SC..Hα-helixtrans-80.8-21.8179.1-57.6175.734.900112E149 L150 L151E149-Q153 PolarHBondContact O-NE2 2.82Å; L150-Q153 WeakPolarHBondContact O-CB 3.21Å; L150-Q153 PolarHBondContact O-N 2.76Å; L151-Q153 PolarHBondContact O-N 3.5Å
154Y98.9Very high98.7Very high30 Ų3037.2 Ų37.212%0.11819%0.19CC..Hα-helixtrans-115.3-41.4-174.2-70.3-93.7000113.1A29 R32 M33 E36 R37 L150 L151A29-Y154 WeakPolarHBondContact CB-O 3.48Å; A29-Y154 WeakPolarHBondContact O-CD1 3.36Å; R32-Y154 HydrophobicContact CB-CD1 4.28Å; R32-Y154 HydrophobicContact CB-CE1 4.2Å; M33-Y154 HydrophobicContact CB-CD1 3.75Å; M33-Y154 HydrophobicContact CB-CD2 3.65Å; M33-Y154 HydrophobicContact CB-CE1 4.1Å; M33-Y154 HydrophobicContact CB-CE2 4.02Å; M33-Y154 HydrophobicContact CB-CG 3.53Å; M33-Y154 HydrophobicContact CG-CD2 3.51Å; M33-Y154 HydrophobicContact CG-CE2 3.79Å; M33-Y154 HydrophobicContact CG-CG 3.93Å; M33-Y154 HydrophobicContact SD-CD2 4.29Å; E36-Y154 WeakPolarHBondContact OE2-CE1 3.15Å; E36-Y154 PolarHBondContact OE2-OH 2.77Å; R37-Y154 WeakPolarHBondContact CD-OH 3.46Å; R37-Y154 HydrophobicContact CG-CE2 3.97Å; R37-Y154 WeakPolarHBondContact CG-OH 3.45Å; L150-Y154 WeakPolarHBondContact O-CD2 3.22Å; L151-Y154 PolarHBondContact O-N 2.61Å
155L98.9Very high98.6Very high7 Ų737.9 Ų37.94%0.03720%0.197CC..SBendtrans-98.9162.2-175.3-57.7-167.1000112.2Q26 A29 L30 L122 I126 L151 Q157 Y160Q26-L155 HydrophobicContact CB-CD2 4.46Å; Q26-L155 VanDerWaalsContact O-CD2 3.25Å; Q26-L155 WeakPolarHBondContact O-CD2 3.36Å; A29-L155 HydrophobicContact CB-CD2 3.98Å; L30-L155 HydrophobicContact CB-CD2 4.18Å; L30-L155 HydrophobicContact CD1-CD1 4.49Å; L122-L155 HydrophobicContact CD2-CD1 4.32Å; I126-L155 HydrophobicContact CD1-CD1 4Å; L151-L155 HydrophobicContact CD1-CD1 4.17Å; L151-L155 HydrophobicContact CD2-CB 4.23Å; L151-L155 HydrophobicContact CD2-CD1 4.21Å; L151-L155 HydrophobicContact CG-CB 4.45Å; L151-L155 HydrophobicContact CG-CD1 3.93Å; L151-L155 HydrophobicContact CG-CG 4.28Å; L151-L155 PolarHBondContact O-N 3.45Å; L155-Q157 PolarHBondContact O-N 3.09Å; L155-Y160 HydrophobicContact CB-CD2 3.89Å; L155-Y160 HydrophobicContact CB-CG 4.47Å; L155-Y160 HydrophobicContact CD1-CD2 4.25Å; L155-Y160 HydrophobicContact CD1-CG 4.26Å
156D98.8Very high98.5Very high30 Ų3033.4 Ų33.416%0.1618%0.182CC..  trans-60110.4172.2-174.6-49.1000110.6R16 F22 D158 L159 Y160R16-D156 VanDerWaalsContact CZ-CG 3.47Å; R16-D156 IonicContact CZ-OD1 3.59Å; R16-D156 VanDerWaalsContact CZ-OD1 3.27Å; R16-D156 IonicContact CZ-OD2 3.34Å; R16-D156 IonicContact NE-OD2 3.27Å; R16-D156 PolarHBondContact NE-OD2 3.29Å; R16-D156 IonicContact NH1-OD1 2.63Å; R16-D156 IonicContact NH1-OD2 2.64Å; R16-D156 PolarHBondContact NH1-OD2 3.15Å; R16-D156 VanDerWaalsContact NH2-CG 3.25Å; R16-D156 IonicContact NH2-OD1 3.15Å; R16-D156 PolarHBondContact NH2-OD1 2.9Å; R16-D156 IonicContact NH2-OD2 3.05Å; R16-D156 PolarHBondContact NH2-OD2 3.25Å; F22-D156 HydrophobicContact CZ-CB 3.99Å; D156-D158 PolarHBondContact O-N 2.75Å; D156-D158 VanDerWaalsContact O-N 3.08Å; D156-D158 PolarHBondContact OD1-N 3.45Å; D156-L159 HydrophobicContact CB-CB 4.24Å; D156-L159 HydrophobicContact CB-CD1 4.36Å; D156-L159 PolarHBondContact O-N 3.34Å; D156-L159 VanDerWaalsContact O-N 3.11Å; D156-L159 PolarHBondContact OD1-N 3.4Å; D156-L159 VanDerWaalsContact OD1-N 3.14Å; D156-Y160 HydrophobicContact CB-CD2 4.13Å; D156-Y160 HydrophobicContact CB-CE2 4.16Å; D156-Y160 WeakPolarHBondContact O-CD2 3.3Å; D156-Y160 PolarHBondContact O-N 3.36Å
157Q98.2Very high98.5Very high114 Ų11438.5 Ų38.553%0.53321%0.208SC..THydrogen-bonded Turntrans-63.5-18.6-171.4-58.5-176.66.600114.4R7 P152 L155R7-Q157 PolarHBondContact NH1-O 3.26Å; R7-Q157 VanDerWaalsContact NH1-O 3.1Å; R7-Q157 PolarHBondContact NH2-O 2.87Å; P152-Q157 HydrophobicContact CB-CG 3.99Å; P152-Q157 WeakPolarHBondContact O-CG 3.29Å; P152-Q157 PolarHBondContact O-NE2 2.87Å; L155-Q157 PolarHBondContact O-N 3.09Å
158D98.5Very high98.5Very high65 Ų6542.5 Ų42.535%0.34824%0.235SC..THydrogen-bonded Turntrans-102.3-15.5-177.2-77.3-28.2000111.7R7 L8 A11 D156R7-D158 WeakPolarHBondContact CD-OD1 3.38Å; R7-D158 IonicContact CZ-OD1 2.6Å; R7-D158 IonicContact NE-OD1 3.84Å; R7-D158 IonicContact NH1-OD1 3.24Å; R7-D158 PolarHBondContact NH1-OD1 3.14Å; R7-D158 VanDerWaalsContact NH1-OD1 3.14Å; L8-D158 VanDerWaalsContact CA-O 3.3Å; L8-D158 WeakPolarHBondContact CA-O 3.37Å; L8-D158 VanDerWaalsContact CD1-O 3.32Å; L8-D158 WeakPolarHBondContact CD1-O 3.32Å; L8-D158 VanDerWaalsContact CG-O 3.25Å; L8-D158 WeakPolarHBondContact CG-O 3.4Å; A11-D158 HydrophobicContact CB-CB 4.07Å; A11-D158 WeakPolarHBondContact CB-O 2.93Å; D156-D158 PolarHBondContact O-N 2.75Å; D156-D158 VanDerWaalsContact O-N 3.08Å; D156-D158 PolarHBondContact OD1-N 3.45Å
159L98.9Very high98.5Very high0 Ų044.3 Ų44.30%024%0.237CC..THydrogen-bonded Turntrans-97.8-30.9171.4-79.2168.2000113.2A11 F12 R16 F22 A131 A132 D156A11-L159 HydrophobicContact CB-CD2 3.87Å; A11-L159 HydrophobicContact CB-CG 4.11Å; F12-L159 HydrophobicContact CB-CD2 4.42Å; R16-L159 HydrophobicContact CG-CD1 3.86Å; F22-L159 HydrophobicContact CE1-CD1 3.49Å; F22-L159 VanDerWaalsContact CE1-CD1 3.49Å; F22-L159 HydrophobicContact CZ-CD1 3.61Å; A131-L159 CarbonylContact C-O 3.5Å; A131-L159 VanDerWaalsContact CA-O 3.29Å; A131-L159 WeakPolarHBondContact CA-O 3.43Å; A131-L159 HydrophobicContact CB-CD2 3.71Å; A131-L159 WeakPolarHBondContact CB-O 3.45Å; A132-L159 PolarHBondContact N-O 3.08Å; D156-L159 HydrophobicContact CB-CB 4.24Å; D156-L159 HydrophobicContact CB-CD1 4.36Å; D156-L159 PolarHBondContact O-N 3.34Å; D156-L159 VanDerWaalsContact O-N 3.11Å; D156-L159 PolarHBondContact OD1-N 3.4Å; D156-L159 VanDerWaalsContact OD1-N 3.14Å
160Y98.9Very high98.5Very high2 Ų240.1 Ų40.11%0.00822%0.219CC..EExtended strand (participates in β ladder)trans-128.2123.3-173.9-45.5-68.8000109.4Q26 L122 I126 N130 A132 L151 L155 D156Q26-Y160 HydrophobicContact CB-CE2 4.29Å; Q26-Y160 HydrophobicContact CG-CE2 3.85Å; L122-Y160 HydrophobicContact CD1-CD1 4.27Å; I126-Y160 HydrophobicContact CB-CE1 4.41Å; I126-Y160 HydrophobicContact CD1-CE1 4.37Å; I126-Y160 HydrophobicContact CG1-CD1 3.96Å; I126-Y160 HydrophobicContact CG1-CE1 3.46Å; I126-Y160 VanDerWaalsContact CG1-CE1 3.46Å; N130-Y160 WeakPolarHBondContact O-CE1 3.46Å; A132-Y160 HydrophobicContact CB-CD1 4.22Å; A132-Y160 WeakPolarHBondContact O-CA 3.41Å; L151-Y160 WeakPolarHBondContact CD2-O 3.16Å; L155-Y160 HydrophobicContact CB-CD2 3.89Å; L155-Y160 HydrophobicContact CB-CG 4.47Å; L155-Y160 HydrophobicContact CD1-CD2 4.25Å; L155-Y160 HydrophobicContact CD1-CG 4.26Å; D156-Y160 HydrophobicContact CB-CD2 4.13Å; D156-Y160 HydrophobicContact CB-CE2 4.16Å; D156-Y160 WeakPolarHBondContact O-CD2 3.3Å; D156-Y160 PolarHBondContact O-N 3.36Å
161A98.6Very high98.5Very high7 Ų743.4 Ų43.46%0.05824%0.239CC..EExtended strand (participates in β ladder)trans-140.8150.5-17500000112.4L8 A132 I133 V134L8-A161 HydrophobicContact CD1-CB 4.08Å; L8-A161 HydrophobicContact CD2-CB 4.22Å; A132-A161 PolarHBondContact O-N 3.43Å; I133-A161 WeakPolarHBondContact CA-O 3.48Å; V134-A161 PolarHBondContact N-O 2.94Å
162I98.8Very high98.5Very high22 Ų2247.6 Ų47.611%0.11326%0.259CS..EExtended strand (participates in β ladder)trans-95.4138.9168.1-57.4-55.1000109.5Q4 V134 P136 L147 A148 L151Q4-I162 PolarHBondContact NE2-O 3.06Å; Q4-I162 VanDerWaalsContact NE2-O 3.17Å; V134-I162 HydrophobicContact CB-CD1 3.66Å; V134-I162 HydrophobicContact CG1-CD1 4.07Å; V134-I162 HydrophobicContact CG2-CD1 4.38Å; V134-I162 CarbonylContact O-C 3.56Å; V134-I162 WeakPolarHBondContact O-CA 3.41Å; P136-I162 HydrophobicContact CG-CG2 3.84Å; L147-I162 HydrophobicContact CB-CD1 4.35Å; L147-I162 HydrophobicContact CB-CG1 4.49Å; A148-I162 HydrophobicContact CB-CB 4.11Å; A148-I162 HydrophobicContact CB-CG1 4.47Å; A148-I162 HydrophobicContact CB-CG2 3.83Å; L151-I162 HydrophobicContact CB-CG1 4.26Å; L151-I162 HydrophobicContact CD1-CD1 3.82Å; L151-I162 HydrophobicContact CD1-CG1 4.36Å
163V98.6Very high98.5Very high4 Ų445.4 Ų45.42%0.02424%0.244CC..  trans-122.8107.2166.2174.30000108M1 I133 V134 K135 L173M1-V163 HydrophobicContact CE-CG1 3.59Å; M1-V163 HydrophobicContact SD-CG1 3.58Å; M1-V163 VanDerWaalsContact SD-CG1 3.58Å; M1-V163 HydrophobicContact SD-CG2 4.41Å; I133-V163 HydrophobicContact CD1-CG2 4.49Å; I133-V163 HydrophobicContact CG2-CB 3.98Å; I133-V163 HydrophobicContact CG2-CG2 3.56Å; V134-V163 PolarHBondContact O-N 3.44Å; K135-V163 WeakPolarHBondContact CA-O 3.44Å; K135-V163 WeakPolarHBondContact CG-O 3.33Å; V163-L173 HydrophobicContact CB-CD2 4.31Å; V163-L173 HydrophobicContact CG1-CD2 4.1Å
164N98.8Very high98.5Very high63 Ų6341 Ų4134%0.33722%0.224SC..  trans-87.3155.4171.8-75.2-26.1000110.8P136 A144P136-N164 WeakPolarHBondContact CD-OD1 3.23Å; P136-N164 WeakPolarHBondContact CG-OD1 2.95Å; A144-N164 PolarHBondContact O-ND2 3.29Å
165G97.8Very high98.5Very high20 Ų2045 Ų4521%0.20624%0.242CC..  trans150.8171.1179.100000111.5K135K135-G165 WeakPolarHBondContact CE-O 3.48Å; K135-G165 PolarHBondContact NZ-O 3.47Å
166G97.1Very high98.5Very high16 Ų1646.4 Ų46.417%0.16525%0.249CC..  trans-98.5-145.2176.300000112.1E169 T170G166-E169 PolarHBondContact N-OE2 2.64Å; G166-T170 WeakPolarHBondContact O-CB 3.46Å; G166-T170 PolarHBondContact O-N 3.05Å; G166-T170 PolarHBondContact O-OG1 3.45Å
167I97.9Very high98.5Very high126 Ų12652.2 Ų52.265%0.64627%0.268SS*.Hα-helixtrans-59.1-47.1178.3-61.7171.7000112.6E169 T170 T171I167-E169 PolarHBondContact O-N 3.02Å; I167-T170 PolarHBondContact O-N 2.89Å; I167-T171 WeakPolarHBondContact O-CB 3.48Å; I167-T171 PolarHBondContact O-N 3.3Å; I167-T171 PolarHBondContact O-OG1 2.98Å
168P98.4Very high98.6Very high87 Ų8746.9 Ų46.957%0.56524%0.243SC*.Hα-helixtrans-59.9-46.7-178.3-24.235.4000112.6T171 E172P168-T171 WeakPolarHBondContact O-CB 3.39Å; P168-T171 PolarHBondContact O-N 2.88Å; P168-E172 PolarHBondContact O-N 2.69Å; P168-E172 VanDerWaalsContact O-N 3.07Å
169E98.6Very high98.6Very high74 Ų7445.4 Ų45.435%0.34624%0.236SC..Hα-helixtrans-66.9-41.5179.9-63.978.8-173.600111.6M1 G166 I167 T171 E172 L173M1-E169 HydrophobicContact CE-CB 4.23Å; M1-E169 HydrophobicContact CE-CG 4.46Å; G166-E169 PolarHBondContact N-OE2 2.64Å; I167-E169 PolarHBondContact O-N 3.02Å; E169-T171 VanDerWaalsContact C-N 3.29Å; E169-T171 PolarHBondContact O-N 2.86Å; E169-E172 PolarHBondContact O-N 3.33Å; E169-L173 VanDerWaalsContact O-CB 3.31Å; E169-L173 WeakPolarHBondContact O-CB 3.42Å; E169-L173 PolarHBondContact O-N 2.99Å
170T98.6Very high98.6Very high23 Ų2345.9 Ų45.914%0.14124%0.238CC..Hα-helixtrans-62.9-38.8176.2-54.40000111I108 K135 G166 I167 L173 L174I108-T170 HydrophobicContact CD1-CG2 4.32Å; K135-T170 WeakPolarHBondContact CE-OG1 3.47Å; G166-T170 WeakPolarHBondContact O-CB 3.46Å; G166-T170 PolarHBondContact O-N 3.05Å; G166-T170 PolarHBondContact O-OG1 3.45Å; I167-T170 PolarHBondContact O-N 2.89Å; T170-L173 PolarHBondContact O-N 2.65Å; T170-L174 HydrophobicContact CG2-CD1 4.07Å; T170-L174 HydrophobicContact CG2-CG 4.4Å; T170-L174 WeakPolarHBondContact O-CB 3.44Å; T170-L174 WeakPolarHBondContact O-CG 3.08Å; T170-L174 PolarHBondContact O-N 2.93Å
171T98.4Very high98.6Very high69 Ų6946 Ų4642%0.42324%0.238SC..Hα-helixtrans-63.7-45.3177-56.80000111.2I167 P168 E169 L173 L174 K175I167-T171 WeakPolarHBondContact O-CB 3.48Å; I167-T171 PolarHBondContact O-N 3.3Å; I167-T171 PolarHBondContact O-OG1 2.98Å; P168-T171 WeakPolarHBondContact O-CB 3.39Å; P168-T171 PolarHBondContact O-N 2.88Å; E169-T171 VanDerWaalsContact C-N 3.29Å; E169-T171 PolarHBondContact O-N 2.86Å; T171-L173 VanDerWaalsContact C-N 3.34Å; T171-L174 PolarHBondContact O-N 3.13Å; T171-K175 PolarHBondContact O-N 3.38Å
172E98.7Very high98.6Very high88 Ų8845.6 Ų45.641%0.41124%0.236SC..Hα-helixtrans-67.3-34.2175.2-66.8-50.913300113.1M1 P168 E169 K175 Q176M1-E172 HydrophobicContact CG-CB 4.14Å; P168-E172 PolarHBondContact O-N 2.69Å; P168-E172 VanDerWaalsContact O-N 3.07Å; E169-E172 PolarHBondContact O-N 3.33Å; E172-K175 PolarHBondContact O-N 2.75Å; E172-K175 WeakPolarHBondContact OE1-CE 3.41Å; E172-K175 IonicContact OE1-NZ 3.72Å; E172-K175 PolarHBondContact OE1-NZ 3.46Å; E172-K175 WeakPolarHBondContact OE2-CD 3.39Å; E172-K175 WeakPolarHBondContact OE2-CE 3.21Å; E172-K175 IonicContact OE2-NZ 2.64Å; E172-K175 PolarHBondContact OE2-NZ 2.97Å; E172-Q176 PolarHBondContact O-NE2 3.44Å; E172-Q176 VanDerWaalsContact O-NE2 3.15Å
173L98.8Very high98.6Very high0 Ų045.3 Ų45.30%023%0.233CC..Hα-helixtrans-66-43.4176-172.562.4000111.2M1 V5 L106 I133 K135 V163 E169 T170 T171 K175 Q176 F178M1-L173 HydrophobicContact CB-CD1 4.37Å; M1-L173 HydrophobicContact CG-CB 4.37Å; M1-L173 HydrophobicContact CG-CD1 4.44Å; M1-L173 HydrophobicContact SD-CB 4.49Å; M1-L173 HydrophobicContact SD-CD1 4.03Å; V5-L173 HydrophobicContact CG2-CD1 4.22Å; L106-L173 HydrophobicContact CD1-CD2 3.61Å; L106-L173 HydrophobicContact CD1-CG 4.24Å; L106-L173 HydrophobicContact CD2-CD2 4.36Å; L106-L173 HydrophobicContact CD2-CG 4.36Å; I133-L173 HydrophobicContact CD1-CD1 4.35Å; I133-L173 HydrophobicContact CG2-CD2 4.35Å; K135-L173 HydrophobicContact CB-CD2 4.16Å; K135-L173 HydrophobicContact CG-CD2 4.09Å; V163-L173 HydrophobicContact CB-CD2 4.31Å; V163-L173 HydrophobicContact CG1-CD2 4.1Å; E169-L173 VanDerWaalsContact O-CB 3.31Å; E169-L173 WeakPolarHBondContact O-CB 3.42Å; E169-L173 PolarHBondContact O-N 2.99Å; T170-L173 PolarHBondContact O-N 2.65Å; T171-L173 VanDerWaalsContact C-N 3.34Å; L173-K175 PolarHBondContact O-N 3.24Å; L173-Q176 VanDerWaalsContact O-CB 3.27Å; L173-Q176 WeakPolarHBondContact O-CB 3.28Å; L173-Q176 VanDerWaalsContact O-CG 3.25Å; L173-Q176 WeakPolarHBondContact O-CG 3.11Å; L173-Q176 PolarHBondContact O-N 3.47Å; L173-F178 HydrophobicContact CD1-CE2 4.46Å; L173-F178 HydrophobicContact CD1-CZ 3.87Å; L173-F178 HydrophobicContact CG-CE2 4.41Å; L173-F178 HydrophobicContact CG-CZ 4.18Å; L173-F178 WeakPolarHBondContact O-CE2 3.16Å
174L98.8Very high98.6Very high14 Ų1445.5 Ų45.57%0.07323%0.234CC..Hα-helixtrans-67.7-17.1179.7-77.2172000114.2L106 I108 T170 T171 Q176 I181 V193 A196L106-L174 HydrophobicContact CD2-CD2 3.95Å; I108-L174 HydrophobicContact CD1-CD2 4.11Å; T170-L174 HydrophobicContact CG2-CD1 4.07Å; T170-L174 HydrophobicContact CG2-CG 4.4Å; T170-L174 WeakPolarHBondContact O-CB 3.44Å; T170-L174 WeakPolarHBondContact O-CG 3.08Å; T170-L174 PolarHBondContact O-N 2.93Å; T171-L174 PolarHBondContact O-N 3.13Å; L174-Q176 PolarHBondContact O-N 2.88Å; L174-I181 HydrophobicContact CD2-CD1 4.08Å; L174-V193 HydrophobicContact CD1-CG2 4.17Å; L174-V193 HydrophobicContact CD2-CG1 4.34Å; L174-A196 HydrophobicContact CB-CB 3.85Å; L174-A196 HydrophobicContact CD1-CB 4.48Å; L174-A196 HydrophobicContact CD2-CB 4.41Å; L174-A196 HydrophobicContact CG-CB 4.48Å
175K98.8Very high98.6Very high113 Ų11343.4 Ų43.449%0.49123%0.228SC..THydrogen-bonded Turntrans-68.9-23.4170.2-65.7176.5-168.6170.80112.5T171 E172 L173 H200T171-K175 PolarHBondContact O-N 3.38Å; E172-K175 PolarHBondContact O-N 2.75Å; E172-K175 WeakPolarHBondContact OE1-CE 3.41Å; E172-K175 IonicContact OE1-NZ 3.72Å; E172-K175 PolarHBondContact OE1-NZ 3.46Å; E172-K175 WeakPolarHBondContact OE2-CD 3.39Å; E172-K175 WeakPolarHBondContact OE2-CE 3.21Å; E172-K175 IonicContact OE2-NZ 2.64Å; E172-K175 PolarHBondContact OE2-NZ 2.97Å; L173-K175 PolarHBondContact O-N 3.24Å; K175-H200 PolarHBondContact O-NE2 2.84Å
176Q98.9Very high98.6Very high38 Ų3846 Ų4618%0.17824%0.237CC..SBendtrans-75.4154.9-177.2-47.9-52-55.400111M1 V5 E172 L173 L174 F178M1-Q176 HydrophobicContact CB-CG 4.34Å; V5-Q176 HydrophobicContact CB-CB 4.35Å; V5-Q176 HydrophobicContact CG1-CB 4.26Å; V5-Q176 HydrophobicContact CG2-CB 3.85Å; V5-Q176 HydrophobicContact CG2-CG 3.91Å; E172-Q176 PolarHBondContact O-NE2 3.44Å; E172-Q176 VanDerWaalsContact O-NE2 3.15Å; L173-Q176 VanDerWaalsContact O-CB 3.27Å; L173-Q176 WeakPolarHBondContact O-CB 3.28Å; L173-Q176 VanDerWaalsContact O-CG 3.25Å; L173-Q176 WeakPolarHBondContact O-CG 3.11Å; L173-Q176 PolarHBondContact O-N 3.47Å; L174-Q176 PolarHBondContact O-N 2.88Å; Q176-F178 HydrophobicContact CB-CE2 3.98Å; Q176-F178 HydrophobicContact CB-CZ 4.35Å; Q176-F178 WeakPolarHBondContact O-CD2 3.48Å
177R98.8Very high98.7Very high151 Ų15147.4 Ų47.457%0.5724%0.243SC*.  trans-82.5120.7178.6-176.4171.3177.8176.12.4110.8R9 H200R9-R177 PolarHBondContact NH2-O 3.1Å; R177-H200 HydrophobicContact CG-CB 4.2Å
178F98.9Very high98.7Very high2 Ų244.5 Ų44.51%0.00924%0.237CC..  trans-114.7158169-64.2-80.5000110.4V5 V104 L106 I133 L173 Q176 I181 T202V5-F178 HydrophobicContact CG1-CE1 4.39Å; V5-F178 HydrophobicContact CG2-CE1 4.12Å; V5-F178 HydrophobicContact CG2-CZ 3.79Å; V104-F178 HydrophobicContact CB-CD1 4.41Å; V104-F178 HydrophobicContact CG1-CD1 3.97Å; V104-F178 HydrophobicContact CG1-CE1 4.14Å; L106-F178 HydrophobicContact CB-CB 4.47Å; L106-F178 HydrophobicContact CB-CD1 3.69Å; L106-F178 HydrophobicContact CB-CD2 3.98Å; L106-F178 HydrophobicContact CB-CE1 3.82Å; L106-F178 HydrophobicContact CB-CE2 4.1Å; L106-F178 HydrophobicContact CB-CG 3.77Å; L106-F178 HydrophobicContact CB-CZ 4.02Å; L106-F178 HydrophobicContact CD1-CE1 4.46Å; L106-F178 HydrophobicContact CD1-CZ 4.2Å; L106-F178 HydrophobicContact CD2-CD2 4.01Å; L106-F178 HydrophobicContact CD2-CE2 3.69Å; L106-F178 HydrophobicContact CD2-CZ 4.08Å; L106-F178 HydrophobicContact CG-CE2 4.35Å; L106-F178 HydrophobicContact CG-CZ 4.32Å; I133-F178 HydrophobicContact CB-CE1 4.47Å; I133-F178 HydrophobicContact CD1-CE1 4.02Å; I133-F178 HydrophobicContact CD1-CZ 4.26Å; I133-F178 HydrophobicContact CG1-CE1 4.4Å; L173-F178 HydrophobicContact CD1-CE2 4.46Å; L173-F178 HydrophobicContact CD1-CZ 3.87Å; L173-F178 HydrophobicContact CG-CE2 4.41Å; L173-F178 HydrophobicContact CG-CZ 4.18Å; L173-F178 WeakPolarHBondContact O-CE2 3.16Å; Q176-F178 HydrophobicContact CB-CE2 3.98Å; Q176-F178 HydrophobicContact CB-CZ 4.35Å; Q176-F178 WeakPolarHBondContact O-CD2 3.48Å; F178-I181 HydrophobicContact CB-CG1 4.01Å; F178-I181 HydrophobicContact CD2-CD1 4.39Å; F178-I181 HydrophobicContact CD2-CG1 4.41Å; F178-I181 HydrophobicContact CG-CG1 4.46Å; F178-T202 HydrophobicContact CB-CG2 4.26Å; F178-T202 WeakPolarHBondContact O-CG2 3.35Å; F178-T202 PolarHBondContact O-OG1 2.93Å
179D98.9Very high98.7Very high35 Ų3542.9 Ų42.919%0.18723%0.226CC..SBendtrans-95.5-13.2177.9-52.1-77000111.4R9 L102 G103 V104 P203R9-D179 IonicContact CZ-OD2 2.61Å; R9-D179 VanDerWaalsContact CZ-OD2 3.27Å; R9-D179 IonicContact NH1-OD1 3.44Å; R9-D179 PolarHBondContact NH1-OD1 3.36Å; R9-D179 IonicContact NH1-OD2 2.65Å; R9-D179 PolarHBondContact NH1-OD2 3.46Å; R9-D179 IonicContact NH2-OD1 3.85Å; R9-D179 IonicContact NH2-OD2 2.82Å; R9-D179 PolarHBondContact NH2-OD2 3.22Å; L102-D179 HydrophobicContact CB-CB 4.07Å; L102-D179 WeakPolarHBondContact O-CB 3.34Å; G103-D179 WeakPolarHBondContact CA-OD2 3.31Å; V104-D179 PolarHBondContact N-OD2 3.39Å; V104-D179 PolarHBondContact O-N 2.93Å; D179-P203 WeakPolarHBondContact O-CD 3.48Å; D179-P203 WeakPolarHBondContact O-CG 3.39Å
180H99Very high98.7Very high10 Ų1039.4 Ų39.45%0.04621%0.21CC..EExtended strand (participates in β ladder)trans-157.7150.9164-160.887000110.4L102 V105 L106 P203 T205 F419L102-H180 HydrophobicContact CD1-CB 3.74Å; V105-H180 WeakPolarHBondContact CA-O 3.38Å; V105-H180 HydrophobicContact CG1-CB 4.37Å; V105-H180 HydrophobicContact CG2-CB 4.12Å; L106-H180 PolarHBondContact N-O 2.87Å; H180-P203 WeakPolarHBondContact ND1-CG 3.22Å; H180-T205 PolarHBondContact NE2-OG1 2.9Å; H180-F419 AromaticContact CD2-CD1 3.87Å; H180-F419 AromaticContact CD2-CE1 3.68Å
181I99Very high98.8Very high3 Ų345.4 Ų45.42%0.01523%0.234CC..EExtended strand (participates in β ladder)trans-127120.3170.9-55.6173.3000109.4L106 I108 L174 F178 V193 A197 T202 P203 V204 T205L106-I181 HydrophobicContact CB-CG1 4.15Å; L106-I181 HydrophobicContact CB-CG2 4.3Å; L106-I181 HydrophobicContact CD2-CG1 4.42Å; L106-I181 HydrophobicContact CD2-CG2 4.13Å; L106-I181 HydrophobicContact CG-CG2 4.31Å; L106-I181 CarbonylContact O-C 3.53Å; L106-I181 WeakPolarHBondContact O-CA 3.26Å; I108-I181 HydrophobicContact CD1-CG2 4.43Å; L174-I181 HydrophobicContact CD2-CD1 4.08Å; F178-I181 HydrophobicContact CB-CG1 4.01Å; F178-I181 HydrophobicContact CD2-CD1 4.39Å; F178-I181 HydrophobicContact CD2-CG1 4.41Å; F178-I181 HydrophobicContact CG-CG1 4.46Å; I181-V193 HydrophobicContact CG2-CG1 3.73Å; I181-A197 HydrophobicContact CD1-CB 4.1Å; I181-T202 HydrophobicContact CD1-CG2 4.14Å; I181-T202 HydrophobicContact CG1-CG2 3.82Å; I181-P203 PolarHBondContact N-O 3.47Å; I181-V204 HydrophobicContact CB-CG1 4.29Å; I181-V204 CarbonylContact O-C 3.54Å; I181-V204 VanDerWaalsContact O-CA 3.22Å; I181-V204 WeakPolarHBondContact O-CA 3.36Å; I181-T205 PolarHBondContact O-N 3.03Å
182L98.9Very high98.8Very high0 Ų046.7 Ų46.70%024%0.237CC..EExtended strand (participates in β ladder)trans-100.7125.8166.2-172.9146.7000109.2L106 I107 I108 P121 T205 Y410 F419L106-L182 PolarHBondContact O-N 3.06Å; I107-L182 CarbonylContact C-O 3.59Å; I107-L182 WeakPolarHBondContact CA-O 3.38Å; I107-L182 HydrophobicContact CG2-CD2 4.47Å; I108-L182 PolarHBondContact N-O 3.46Å; P121-L182 HydrophobicContact CB-CD1 4.13Å; P121-L182 HydrophobicContact CB-CD2 4.06Å; P121-L182 HydrophobicContact CG-CD1 4.35Å; P121-L182 HydrophobicContact CG-CD2 3.83Å; L182-T205 CarbonylContact C-O 3.55Å; L182-T205 WeakPolarHBondContact CA-O 3.47Å; L182-T205 HydrophobicContact CD1-CG2 3.76Å; L182-T205 HydrophobicContact CG-CG2 4.09Å; L182-Y410 HydrophobicContact CD1-CD1 4.47Å; L182-Y410 HydrophobicContact CD1-CG 4.31Å; L182-F419 HydrophobicContact CB-CE1 4.21Å; L182-F419 HydrophobicContact CB-CZ 4.2Å; L182-F419 HydrophobicContact CD1-CE1 4.38Å; L182-F419 HydrophobicContact CD1-CZ 3.73Å
183Y98.9Very high98.8Very high16 Ų1642.5 Ų42.56%0.06322%0.218CC..EExtended strand (participates in β ladder)trans-125.2130176.5169-99.7000110.1I108 G185 N186 V189 V193 T205 L206 E207 L208I108-Y183 HydrophobicContact CB-CD2 3.83Å; I108-Y183 HydrophobicContact CD1-CD2 4.28Å; I108-Y183 HydrophobicContact CG2-CD2 3.71Å; I108-Y183 HydrophobicContact CG2-CE2 4.06Å; Y183-G185 WeakPolarHBondContact OH-CA 3.41Å; Y183-N186 PolarHBondContact OH-N 2.98Å; Y183-N186 VanDerWaalsContact OH-N 3.11Å; Y183-V189 HydrophobicContact CE1-CB 4.38Å; Y183-V189 HydrophobicContact CE1-CG1 4.31Å; Y183-V189 HydrophobicContact CE2-CG1 3.72Å; Y183-V189 VanDerWaalsContact OH-CB 3.29Å; Y183-V189 WeakPolarHBondContact OH-CB 3.47Å; Y183-V189 WeakPolarHBondContact OH-CG1 3.2Å; Y183-V193 HydrophobicContact CD1-CG2 4.48Å; Y183-V193 HydrophobicContact CD2-CG2 3.93Å; Y183-V193 HydrophobicContact CE2-CG2 4.47Å; Y183-V193 HydrophobicContact CG-CG2 3.96Å; Y183-T205 PolarHBondContact N-O 3.15Å; Y183-L206 HydrophobicContact CD1-CD2 4.26Å; Y183-E207 PolarHBondContact O-N 2.87Å; Y183-L208 HydrophobicContact CD1-CD2 3.82Å; Y183-L208 HydrophobicContact CE1-CD2 3.67Å
184T98.9Very high98.8Very high7 Ų746.6 Ų46.64%0.04324%0.238CC..EExtended strand (participates in β ladder)trans-113.1128.5167.8-520000110.2I108 A110 L117 E207I108-T184 PolarHBondContact O-N 3.26Å; A110-T184 HydrophobicContact CB-CG2 4.1Å; L117-T184 HydrophobicContact CD1-CG2 4.06Å; L117-T184 HydrophobicContact CD2-CG2 4.25Å; T184-E207 CarbonylContact C-O 3.55Å; T184-E207 VanDerWaalsContact CA-O 3.26Å; T184-E207 WeakPolarHBondContact CA-O 3.18Å; T184-E207 HydrophobicContact CG2-CB 3.93Å
185G98.4Very high98.8Very high20 Ų2051.9 Ų51.921%0.20626%0.262CS..SBendtrans164-127.1175.800000113.7Y183 E207 L208Y183-G185 WeakPolarHBondContact OH-CA 3.41Å; G185-E207 PolarHBondContact N-O 3.31Å; G185-L208 WeakPolarHBondContact O-CA 3.39Å
186N98.4Very high98.8Very high73 Ų7347.5 Ų47.539%0.3925%0.247SC..  trans-111.9156.2-171.969.377000112.7Y183 A188 V189 G190Y183-N186 PolarHBondContact OH-N 2.98Å; Y183-N186 VanDerWaalsContact OH-N 3.11Å; N186-A188 VanDerWaalsContact C-N 3.3Å; N186-A188 PolarHBondContact O-N 3.09Å; N186-A188 WeakPolarHBondContact OD1-CB 3.44Å; N186-A188 PolarHBondContact OD1-N 3.16Å; N186-V189 PolarHBondContact O-N 3.13Å; N186-V189 PolarHBondContact OD1-N 3.33Å; N186-G190 PolarHBondContact O-N 3.28Å
187T98.4Very high98.8Very high47 Ų4745.8 Ų45.829%0.28824%0.24SC..Hα-helixtrans-58.9-36.3-175.2-50.80000114G190 K191 A404T187-G190 PolarHBondContact O-N 2.83Å; T187-K191 WeakPolarHBondContact O-CG 3.42Å; T187-K191 PolarHBondContact O-N 3.06Å; T187-A404 HydrophobicContact CG2-CB 4.49Å; T187-A404 PolarHBondContact OG1-O 2.91Å; T187-A404 VanDerWaalsContact OG1-O 3.08Å
188A98.4Very high98.8Very high65 Ų6541.7 Ų41.754%0.53724%0.238SC..Hα-helixtrans-65-45.7-179.800000111.5N186 K191N186-A188 VanDerWaalsContact C-N 3.3Å; N186-A188 PolarHBondContact O-N 3.09Å; N186-A188 WeakPolarHBondContact OD1-CB 3.44Å; N186-A188 PolarHBondContact OD1-N 3.16Å; A188-K191 PolarHBondContact O-N 2.86Å
189V98.6Very high98.8Very high53 Ų5348.9 Ų48.932%0.32127%0.269SS..Hα-helixtrans-75.3-32.1178.1177.20000111.6Y183 N186 K191 I192 V193Y183-V189 HydrophobicContact CE1-CB 4.38Å; Y183-V189 HydrophobicContact CE1-CG1 4.31Å; Y183-V189 HydrophobicContact CE2-CG1 3.72Å; Y183-V189 VanDerWaalsContact OH-CB 3.29Å; Y183-V189 WeakPolarHBondContact OH-CB 3.47Å; Y183-V189 WeakPolarHBondContact OH-CG1 3.2Å; N186-V189 PolarHBondContact O-N 3.13Å; N186-V189 PolarHBondContact OD1-N 3.33Å; V189-K191 PolarHBondContact O-N 2.88Å; V189-I192 WeakPolarHBondContact O-CB 3.41Å; V189-I192 PolarHBondContact O-N 2.87Å; V189-V193 HydrophobicContact CG1-CG2 4.31Å; V189-V193 WeakPolarHBondContact O-CG2 3.46Å; V189-V193 PolarHBondContact O-N 2.87Å
190G98.8Very high98.8Very high1 Ų150.3 Ų50.31%0.0127%0.274CS..Hα-helixtrans-54.9-39.4172.200000112.7N186 T187 V193 M194N186-G190 PolarHBondContact O-N 3.28Å; T187-G190 PolarHBondContact O-N 2.83Å; G190-V193 PolarHBondContact O-N 3.03Å; G190-M194 WeakPolarHBondContact O-CB 3.25Å; G190-M194 PolarHBondContact O-N 2.66Å
191K98.9Very high98.8Very high148 Ų14857.4 Ų57.464%0.64331%0.312SS*.Hα-helixtrans-62.7-43173.2-68.5172.7-178.7-179.60112.4T187 A188 V189 M194 E195T187-K191 WeakPolarHBondContact O-CG 3.42Å; T187-K191 PolarHBondContact O-N 3.06Å; A188-K191 PolarHBondContact O-N 2.86Å; V189-K191 PolarHBondContact O-N 2.88Å; K191-M194 PolarHBondContact O-N 2.87Å; K191-E195 WeakPolarHBondContact O-CB 3.49Å; K191-E195 PolarHBondContact O-N 3.41Å
192I98.9Very high98.8Very high96 Ų9658 Ų5849%0.49232%0.315SS..Hα-helixtrans-63.9-43.2178-62.2171.6000110.9V189 E195 A196V189-I192 WeakPolarHBondContact O-CB 3.41Å; V189-I192 PolarHBondContact O-N 2.87Å; I192-E195 PolarHBondContact O-N 2.97Å; I192-A196 PolarHBondContact O-N 2.89Å
193V98.9Very high98.8Very high1 Ų161.1 Ų61.11%0.00634%0.336CS..Hα-helixtrans-60.6-46.9176.2172.60000110.6I108 L174 I181 Y183 V189 G190 E195 A196 A197 L206I108-V193 HydrophobicContact CD1-CG2 4.3Å; L174-V193 HydrophobicContact CD1-CG2 4.17Å; L174-V193 HydrophobicContact CD2-CG1 4.34Å; I181-V193 HydrophobicContact CG2-CG1 3.73Å; Y183-V193 HydrophobicContact CD1-CG2 4.48Å; Y183-V193 HydrophobicContact CD2-CG2 3.93Å; Y183-V193 HydrophobicContact CE2-CG2 4.47Å; Y183-V193 HydrophobicContact CG-CG2 3.96Å; V189-V193 HydrophobicContact CG1-CG2 4.31Å; V189-V193 WeakPolarHBondContact O-CG2 3.46Å; V189-V193 PolarHBondContact O-N 2.87Å; G190-V193 PolarHBondContact O-N 3.03Å; V193-E195 PolarHBondContact O-N 2.76Å; V193-A196 PolarHBondContact O-N 2.86Å; V193-A197 WeakPolarHBondContact O-CB 3.29Å; V193-A197 PolarHBondContact O-N 3.12Å; V193-L206 HydrophobicContact CG1-CD2 4.2Å
194M98.9Very high98.8Very high86 Ų8661.3 Ų61.342%0.42434%0.339SS..Hα-helixtrans-65.2-37.4178.9-166.1177.8-175.300112.4G190 K191 A197 A198 V204 L206 M407G190-M194 WeakPolarHBondContact O-CB 3.25Å; G190-M194 PolarHBondContact O-N 2.66Å; K191-M194 PolarHBondContact O-N 2.87Å; M194-A197 PolarHBondContact O-N 3.06Å; M194-A198 PolarHBondContact O-N 3.31Å; M194-V204 HydrophobicContact CG-CG2 4.23Å; M194-L206 HydrophobicContact CB-CD1 4.34Å; M194-L206 HydrophobicContact SD-CD1 4.5Å; M194-M407 HydrophobicContact CE-CE 3.78Å; M194-M407 HydrophobicContact CE-SD 4.03Å; M194-M407 HydrophobicContact SD-CE 3.76Å; M194-M407 HydrophobicContact SD-SD 4.36Å
195E98.9Very high98.8Very high124 Ų12461.1 Ų61.158%0.57934%0.338SS*.Hα-helixtrans-63-41.7174.9-174.7-178.4174.900112.1K191 I192 V193 A198K191-E195 WeakPolarHBondContact O-CB 3.49Å; K191-E195 PolarHBondContact O-N 3.41Å; I192-E195 PolarHBondContact O-N 2.97Å; V193-E195 PolarHBondContact O-N 2.76Å; E195-A198 WeakPolarHBondContact O-CB 3.46Å; E195-A198 PolarHBondContact O-N 3.49Å
196A98.9Very high98.8Very high21 Ų2160.5 Ų60.517%0.17433%0.329CS..Hα-helixtrans-66.1-43.5174.500000111.6L174 I192 V193 A198 K199L174-A196 HydrophobicContact CB-CB 3.85Å; L174-A196 HydrophobicContact CD1-CB 4.48Å; L174-A196 HydrophobicContact CD2-CB 4.41Å; L174-A196 HydrophobicContact CG-CB 4.48Å; I192-A196 PolarHBondContact O-N 2.89Å; V193-A196 PolarHBondContact O-N 2.86Å; A196-A198 VanDerWaalsContact C-N 3.26Å; A196-A198 PolarHBondContact O-N 3.11Å; A196-K199 WeakPolarHBondContact O-CB 3.31Å; A196-K199 WeakPolarHBondContact O-CG 3.36Å; A196-K199 PolarHBondContact O-N 3.02Å; A196-K199 VanDerWaalsContact O-N 3.15Å
197A98.9Very high98.8Very high3 Ų357.1 Ų57.13%0.02531%0.311CS..Hα-helixtrans-59.5-36.4177.200000112.5I181 V193 M194 K199 H200 L201 T202 V204I181-A197 HydrophobicContact CD1-CB 4.1Å; V193-A197 WeakPolarHBondContact O-CB 3.29Å; V193-A197 PolarHBondContact O-N 3.12Å; M194-A197 PolarHBondContact O-N 3.06Å; A197-K199 PolarHBondContact O-N 3.26Å; A197-H200 PolarHBondContact O-N 3.48Å; A197-H200 VanDerWaalsContact O-N 3.07Å; A197-L201 PolarHBondContact O-N 3.06Å; A197-L201 VanDerWaalsContact O-N 3.13Å; A197-T202 PolarHBondContact O-N 2.8Å; A197-V204 HydrophobicContact CB-CG1 3.44Å; A197-V204 VanDerWaalsContact CB-CG1 3.44Å
198A98.9Very high98.8Very high64 Ų6455.3 Ų55.353%0.52930%0.3SS..Hα-helixtrans-59.4-27.8178.200000113.3M194 E195 A196 H200 L201M194-A198 PolarHBondContact O-N 3.31Å; E195-A198 WeakPolarHBondContact O-CB 3.46Å; E195-A198 PolarHBondContact O-N 3.49Å; A196-A198 VanDerWaalsContact C-N 3.26Å; A196-A198 PolarHBondContact O-N 3.11Å; A198-H200 PolarHBondContact O-N 3.11Å; A198-L201 PolarHBondContact O-N 3.44Å
199K98.8Very high98.8Very high153 Ų15352.3 Ų52.367%0.66528%0.275SS*.THydrogen-bonded Turntrans-64.6-24.3177.7-53.8-57178.9-172.10113.1A196 A197A196-K199 WeakPolarHBondContact O-CB 3.31Å; A196-K199 WeakPolarHBondContact O-CG 3.36Å; A196-K199 PolarHBondContact O-N 3.02Å; A196-K199 VanDerWaalsContact O-N 3.15Å; A197-K199 PolarHBondContact O-N 3.26Å
200H98.8Very high98.7Very high66 Ų6650.9 Ų50.931%0.30627%0.271SS..THydrogen-bonded Turntrans-118.24.6-177.8-62.9-64000113.4K175 R177 A197 A198 T202K175-H200 PolarHBondContact O-NE2 2.84Å; R177-H200 HydrophobicContact CG-CB 4.2Å; A197-H200 PolarHBondContact O-N 3.48Å; A197-H200 VanDerWaalsContact O-N 3.07Å; A198-H200 PolarHBondContact O-N 3.11Å; H200-T202 WeakPolarHBondContact CB-OG1 3.49Å; H200-T202 PolarHBondContact O-N 3.44Å
201L98.8Very high98.7Very high159 Ų15952.1 Ų52.183%0.83228%0.276SS*.THydrogen-bonded Turntrans53.136.7-170-56.7176.5000112.3A197 A198A197-L201 PolarHBondContact O-N 3.06Å; A197-L201 VanDerWaalsContact O-N 3.13Å; A198-L201 PolarHBondContact O-N 3.44Å
202T98.9Very high98.7Very high14 Ų1445.1 Ų45.19%0.08625%0.245CC..  trans-79126.4-178.8-59.20000109.7F178 I181 A197 H200F178-T202 HydrophobicContact CB-CG2 4.26Å; F178-T202 WeakPolarHBondContact O-CG2 3.35Å; F178-T202 PolarHBondContact O-OG1 2.93Å; I181-T202 HydrophobicContact CD1-CG2 4.14Å; I181-T202 HydrophobicContact CG1-CG2 3.82Å; A197-T202 PolarHBondContact O-N 2.8Å; H200-T202 WeakPolarHBondContact CB-OG1 3.49Å; H200-T202 PolarHBondContact O-N 3.44Å
203P98.9Very high98.7Very high66 Ų6640.6 Ų40.643%0.42922%0.222SC..  trans-64.6148.7171.926.7-33.4000111.2D179 H180 I181D179-P203 WeakPolarHBondContact O-CD 3.48Å; D179-P203 WeakPolarHBondContact O-CG 3.39Å; H180-P203 WeakPolarHBondContact ND1-CG 3.22Å; I181-P203 PolarHBondContact N-O 3.47Å
204V98.9Very high98.7Very high21 Ų2140.5 Ų40.513%0.12722%0.222CC..EExtended strand (participates in β ladder)trans-125.7144.2-179.2-59.30000111.8I181 M194 A197 L206 M407I181-V204 HydrophobicContact CB-CG1 4.29Å; I181-V204 CarbonylContact O-C 3.54Å; I181-V204 VanDerWaalsContact O-CA 3.22Å; I181-V204 WeakPolarHBondContact O-CA 3.36Å; M194-V204 HydrophobicContact CG-CG2 4.23Å; A197-V204 HydrophobicContact CB-CG1 3.44Å; A197-V204 VanDerWaalsContact CB-CG1 3.44Å; V204-L206 HydrophobicContact CB-CD2 4.12Å; V204-L206 HydrophobicContact CB-CG 4.23Å; V204-L206 HydrophobicContact CG2-CD1 4.12Å; V204-L206 HydrophobicContact CG2-CD2 4.25Å; V204-L206 HydrophobicContact CG2-CG 3.9Å; V204-M407 HydrophobicContact CG2-CG 4.45Å; V204-M407 HydrophobicContact CG2-SD 3.9Å
205T98.9Very high98.7Very high3 Ų336.7 Ų36.72%0.01820%0.203CC..EExtended strand (participates in β ladder)trans-109.6120.8159.4-57.90000107.1H180 I181 L182 Y183 E207 M407H180-T205 PolarHBondContact NE2-OG1 2.9Å; I181-T205 PolarHBondContact O-N 3.03Å; L182-T205 CarbonylContact C-O 3.55Å; L182-T205 WeakPolarHBondContact CA-O 3.47Å; L182-T205 HydrophobicContact CD1-CG2 3.76Å; L182-T205 HydrophobicContact CG-CG2 4.09Å; Y183-T205 PolarHBondContact N-O 3.15Å; T205-E207 HydrophobicContact CG2-CG 4.47Å; T205-M407 WeakPolarHBondContact CA-O 3.49Å
206L98.9Very high98.7Very high6 Ų630.8 Ų30.83%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-118109-178.4-57.2-179.2000108.7Y183 V193 M194 V204 L208 G406 M407Y183-L206 HydrophobicContact CD1-CD2 4.26Å; V193-L206 HydrophobicContact CG1-CD2 4.2Å; M194-L206 HydrophobicContact CB-CD1 4.34Å; M194-L206 HydrophobicContact SD-CD1 4.5Å; V204-L206 HydrophobicContact CB-CD2 4.12Å; V204-L206 HydrophobicContact CB-CG 4.23Å; V204-L206 HydrophobicContact CG2-CD1 4.12Å; V204-L206 HydrophobicContact CG2-CD2 4.25Å; V204-L206 HydrophobicContact CG2-CG 3.9Å; L206-L208 HydrophobicContact CB-CD1 4.3Å; L206-L208 HydrophobicContact CB-CD2 4.27Å; L206-L208 HydrophobicContact CB-CG 4.13Å; L206-G406 CarbonylContact O-C 3.55Å; L206-G406 WeakPolarHBondContact O-CA 3.18Å; L206-M407 HydrophobicContact CB-CG 4.24Å; L206-M407 HydrophobicContact CD1-CE 4.41Å; L206-M407 HydrophobicContact CD1-CG 4.24Å; L206-M407 HydrophobicContact CD1-SD 4.48Å; L206-M407 HydrophobicContact CG-CG 4.18Å; L206-M407 PolarHBondContact N-O 3.39Å; L206-M407 PolarHBondContact O-N 2.89Å
207E98.9Very high98.7Very high3 Ų330.4 Ų30.41%0.01417%0.17CC..EExtended strand (participates in β ladder)trans-98.498.8173.6-63-60.3153.600108.3Y183 T184 G185 T205 G400 Y410Y183-E207 PolarHBondContact O-N 2.87Å; T184-E207 CarbonylContact C-O 3.55Å; T184-E207 VanDerWaalsContact CA-O 3.26Å; T184-E207 WeakPolarHBondContact CA-O 3.18Å; T184-E207 HydrophobicContact CG2-CB 3.93Å; G185-E207 PolarHBondContact N-O 3.31Å; T205-E207 HydrophobicContact CG2-CG 4.47Å; E207-G400 WeakPolarHBondContact OE1-CA 3.46Å; E207-G400 WeakPolarHBondContact OE2-CA 3.36Å; E207-Y410 HydrophobicContact CG-CD1 4.15Å; E207-Y410 HydrophobicContact CG-CE1 3.85Å
208L98.8Very high98.6Very high9 Ų938.4 Ų38.45%0.04720%0.2CC..  trans-108.4-169.5-172.8-47.5172.3000110.6Y183 G185 L206 A404 S405Y183-L208 HydrophobicContact CD1-CD2 3.82Å; Y183-L208 HydrophobicContact CE1-CD2 3.67Å; G185-L208 WeakPolarHBondContact O-CA 3.39Å; L206-L208 HydrophobicContact CB-CD1 4.3Å; L206-L208 HydrophobicContact CB-CD2 4.27Å; L206-L208 HydrophobicContact CB-CG 4.13Å; L208-A404 WeakPolarHBondContact CD1-O 3.25Å; L208-S405 CarbonylContact C-O 3.55Å; L208-S405 WeakPolarHBondContact CA-O 3.47Å; L208-S405 VanDerWaalsContact CB-O 3.29Å; L208-S405 WeakPolarHBondContact CB-O 3.49Å; L208-S405 PolarHBondContact N-O 2.91Å
209G96.9Very high98.5Very high1 Ų139.3 Ų39.31%0.0120%0.196CC..  trans-106.9-150.6-17900000113S405G209-S405 VanDerWaalsContact O-CA 3.26Å; G209-S405 WeakPolarHBondContact O-CA 3.3Å; G209-S405 VanDerWaalsContact O-CB 3.26Å; G209-S405 WeakPolarHBondContact O-CB 3.18Å
210G97.9Very high98.4Very high23 Ų2333 Ų3324%0.23717%0.17CC..  trans139.5174.2-177.900000110.8S212 E331G210-S212 PolarHBondContact O-N 2.7Å; G210-E331 PolarHBondContact N-OE2 3.33Å
211K98.9Very high98.4Very high28 Ų2832.9 Ų32.912%0.12217%0.172CC..  trans-93.794179.7-60.918071.467.40109.5P213 D245 Y246 V327 M328 E330K211-P213 WeakPolarHBondContact O-CD 3.29Å; K211-D245 HydrophobicContact CB-CB 4.16Å; K211-D245 WeakPolarHBondContact CE-OD1 3.38Å; K211-D245 IonicContact NZ-OD1 3.5Å; K211-D245 PolarHBondContact NZ-OD1 3.07Å; K211-D245 IonicContact NZ-OD2 3.74Å; K211-Y246 HydrophobicContact CB-CD1 4.02Å; K211-Y246 HydrophobicContact CB-CE1 3.69Å; K211-Y246 WeakPolarHBondContact O-CE1 3.49Å; K211-V327 PolarHBondContact NZ-O 2.72Å; K211-M328 WeakPolarHBondContact CE-O 3.32Å; K211-E330 WeakPolarHBondContact CD-O 3.47Å; K211-E330 PolarHBondContact NZ-O 2.93Å
212S98.9Very high98.3Very high0 Ų026.1 Ų26.10%014%0.137CC..  trans-67.7108.4179.8-61.90000111.3G210 C241 A243 D245 A360G210-S212 PolarHBondContact O-N 2.7Å; S212-C241 PolarHBondContact OG-O 3.1Å; S212-A243 WeakPolarHBondContact CB-O 3.44Å; S212-D245 PolarHBondContact O-N 2.79Å; S212-A360 VanDerWaalsContact CA-O 3.23Å; S212-A360 WeakPolarHBondContact CA-O 3.44Å; S212-A360 WeakPolarHBondContact CB-O 3.35Å; S212-A360 PolarHBondContact OG-N 2.95Å; S212-A360 PolarHBondContact OG-O 3.48Å
213P98.9Very high98.3Very high1 Ų129.6 Ų29.61%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-72148.8-177.228.8-34.6000112.1K211 Y246 I352 P358 A360 L361 Y362K211-P213 WeakPolarHBondContact O-CD 3.29Å; P213-Y246 HydrophobicContact CB-CE1 4.12Å; P213-Y246 HydrophobicContact CB-CE2 4.1Å; P213-I352 HydrophobicContact CB-CD1 4.01Å; P213-I352 HydrophobicContact CB-CG1 3.95Å; P213-I352 HydrophobicContact CG-CD1 3.95Å; P213-I352 HydrophobicContact CG-CG1 3.95Å; P213-I352 HydrophobicContact CG-CG2 4.34Å; P213-P358 HydrophobicContact CG-CG 4.26Å; P213-A360 WeakPolarHBondContact CD-O 3.29Å; P213-L361 HydrophobicContact CG-CB 4.21Å; P213-L361 HydrophobicContact CG-CD1 4.03Å; P213-L361 HydrophobicContact CG-CG 3.99Å; P213-Y362 PolarHBondContact O-N 3.18Å
214C98.9Very high98.3Very high0 Ų029.3 Ų29.30%015%0.152CC..EExtended strand (participates in β ladder)trans-125100.5169.4-177.90000110.5P244 Y246 I247 L248 Y362 F364C214-P244 HydrophobicContact CB-CB 4.01Å; C214-Y246 WeakPolarHBondContact CB-O 3.35Å; C214-Y246 PolarHBondContact N-O 3.2Å; C214-I247 HydrophobicContact CB-CG1 4.42Å; C214-I247 CarbonylContact O-C 3.44Å; C214-I247 VanDerWaalsContact O-CA 3.31Å; C214-I247 WeakPolarHBondContact O-CA 3.42Å; C214-L248 PolarHBondContact O-N 3.44Å; C214-Y362 CarbonylContact C-O 3.58Å; C214-Y362 WeakPolarHBondContact CA-O 3.49Å; C214-F364 VanDerWaalsContact SG-CE2 3.59Å
215Y98.9Very high98.3Very high5 Ų528.4 Ų28.42%0.0215%0.147CC..EExtended strand (participates in β ladder)trans-82.2128.2173.9-178.7-101.3000110.7D217 L248 V342 V345 A348 Y362 V363 F364 L370Y215-D217 HydrophobicContact CE1-CB 3.88Å; Y215-L248 WeakPolarHBondContact CA-O 2.95Å; Y215-L248 HydrophobicContact CD2-CB 4.02Å; Y215-V342 HydrophobicContact CE2-CG2 4.11Å; Y215-V345 HydrophobicContact CE1-CB 4.39Å; Y215-V345 HydrophobicContact CE1-CG2 4.24Å; Y215-V345 PolarHBondContact OH-N 3.44Å; Y215-A348 HydrophobicContact CD2-CB 3.36Å; Y215-A348 HydrophobicContact CE2-CB 3.49Å; Y215-A348 VanDerWaalsContact CE2-CB 3.49Å; Y215-A348 HydrophobicContact CG-CB 4.3Å; Y215-Y362 PolarHBondContact N-O 3.5Å; Y215-V363 HydrophobicContact CD1-CG1 4.07Å; Y215-V363 CarbonylContact O-C 3.5Å; Y215-V363 WeakPolarHBondContact O-CA 3.41Å; Y215-F364 PolarHBondContact O-N 2.82Å; Y215-L370 HydrophobicContact CD1-CD2 4.18Å; Y215-L370 HydrophobicContact CE1-CD1 4.4Å; Y215-L370 HydrophobicContact CE1-CD2 3.81Å
216I98.9Very high98.3Very high1 Ų128.3 Ų28.31%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-116.5111.8175.2-57.5-179000108.5C220 L222 I247 L248 C249 I257 F364I216-C220 VanDerWaalsContact CG2-SG 3.58Å; I216-L222 HydrophobicContact CG2-CD2 3.71Å; I216-I247 HydrophobicContact CD1-CD1 4Å; I216-I247 HydrophobicContact CD1-CG1 4.32Å; I216-I247 HydrophobicContact CD1-CG2 3.94Å; I216-I247 HydrophobicContact CG1-CG2 4.2Å; I216-L248 PolarHBondContact N-O 3.37Å; I216-C249 HydrophobicContact CB-CB 4.27Å; I216-I257 HydrophobicContact CD1-CD1 4.15Å; I216-I257 HydrophobicContact CG2-CD1 4.49Å; I216-F364 HydrophobicContact CG1-CB 4.38Å; I216-F364 HydrophobicContact CG1-CD2 4.36Å
217D98.6Very high98.3Very high13 Ų1333.8 Ų33.87%0.0717%0.166CC..  trans-73.5154.9175.7-17219.1000111.5Y215 D219 C220 F364 S365Y215-D217 HydrophobicContact CE1-CB 3.88Å; D217-D219 VanDerWaalsContact C-N 3.3Å; D217-D219 PolarHBondContact O-N 3.44Å; D217-C220 PolarHBondContact O-SG 2.87Å; D217-F364 WeakPolarHBondContact CB-O 3.34Å; D217-F364 PolarHBondContact N-O 3.41Å; D217-S365 WeakPolarHBondContact OD2-CB 3.2Å; D217-S365 PolarHBondContact OD2-OG 3.21Å
218R97Very high98.3Very high170 Ų17038.2 Ų38.264%0.64218%0.183SC*.SBendtrans-67.4-31174.361.2176.3-65.7169.52113C220 L253R218-C220 VanDerWaalsContact C-N 3.27Å; R218-C220 PolarHBondContact O-N 2.92Å; R218-L253 HydrophobicContact CB-CD1 4.27Å
219D96.1Very high98.3Very high84 Ų8437.8 Ų37.845%0.44918%0.181SC..SBendtrans-88.865.1174.4-17624.7000109.8D217 R366D217-D219 VanDerWaalsContact C-N 3.3Å; D217-D219 PolarHBondContact O-N 3.44Å; D219-R366 WeakPolarHBondContact O-CB 3.13Å; D219-R366 PolarHBondContact O-N 3.04Å
220C96.1Very high98.4Very high19 Ų1937.8 Ų37.813%0.12818%0.18CC..SBendtrans-139.9157.9174.485.10000111.6I216 D217 R218 L222I216-C220 VanDerWaalsContact CG2-SG 3.58Å; D217-C220 PolarHBondContact O-SG 2.87Å; R218-C220 VanDerWaalsContact C-N 3.27Å; R218-C220 PolarHBondContact O-N 2.92Å; C220-L222 PolarHBondContact O-N 3.2Å; C220-L222 WeakPolarHBondContact SG-CD2 3.38Å
221D98.2Very high98.5Very high65 Ų6540.4 Ų40.435%0.34818%0.183SC..  trans-76.7100.6167.1-169.2-41.6000109D223 V224 A225 R366D221-D223 VanDerWaalsContact C-N 3.28Å; D221-D223 PolarHBondContact O-N 3.05Å; D221-D223 PolarHBondContact OD1-N 3.34Å; D221-D223 VanDerWaalsContact OD1-N 3.15Å; D221-V224 HydrophobicContact CB-CB 4.2Å; D221-V224 HydrophobicContact CB-CG2 4.26Å; D221-V224 PolarHBondContact O-N 3.01Å; D221-V224 PolarHBondContact OD1-N 3.39Å; D221-A225 VanDerWaalsContact O-CB 3.32Å; D221-A225 WeakPolarHBondContact O-CB 3.34Å; D221-A225 PolarHBondContact O-N 2.88Å; D221-R366 IonicContact OD2-NH2 3.05Å
222L98.6Very high98.5Very high16 Ų1639 Ų398%0.08418%0.177CC..Hα-helixtrans-67.5-27.2-175.8-73175.8000113I216 C220 C226 L253 Q256 I257 K260I216-L222 HydrophobicContact CG2-CD2 3.71Å; C220-L222 PolarHBondContact O-N 3.2Å; C220-L222 WeakPolarHBondContact SG-CD2 3.38Å; L222-C226 WeakPolarHBondContact O-CB 3.17Å; L222-C226 PolarHBondContact O-N 3.44Å; L222-C226 PolarHBondContact O-SG 2.92Å; L222-L253 HydrophobicContact CD1-CD2 4.3Å; L222-Q256 HydrophobicContact CD1-CB 3.99Å; L222-I257 HydrophobicContact CD2-CG1 4.13Å; L222-K260 HydrophobicContact CB-CD 3.7Å
223D98.7Very high98.5Very high88 Ų8839.1 Ų39.147%0.47118%0.177SC..Hα-helixtrans-65.8-49.2176.6-70.6-66.7000110.2D221 R227 K260D221-D223 VanDerWaalsContact C-N 3.28Å; D221-D223 PolarHBondContact O-N 3.05Å; D221-D223 PolarHBondContact OD1-N 3.34Å; D221-D223 VanDerWaalsContact OD1-N 3.15Å; D223-R227 VanDerWaalsContact O-CB 3.29Å; D223-R227 WeakPolarHBondContact O-CB 3.29Å; D223-R227 PolarHBondContact O-N 3.03Å; D223-R227 VanDerWaalsContact O-N 3.1Å; D223-K260 IonicContact OD1-NZ 3.99Å; D223-K260 PolarHBondContact OD1-NZ 3.06Å; D223-K260 IonicContact OD2-NZ 2.68Å; D223-K260 PolarHBondContact OD2-NZ 3.33Å
224V98.8Very high98.5Very high60 Ų6039 Ų3936%0.36418%0.177SC..Hα-helixtrans-64.7-45.9177177.10000111.2D221 R227 R228D221-V224 HydrophobicContact CB-CB 4.2Å; D221-V224 HydrophobicContact CB-CG2 4.26Å; D221-V224 PolarHBondContact O-N 3.01Å; D221-V224 PolarHBondContact OD1-N 3.39Å; V224-R227 PolarHBondContact O-N 2.76Å; V224-R228 WeakPolarHBondContact O-CG 3.47Å; V224-R228 PolarHBondContact O-N 2.81Å; V224-R228 VanDerWaalsContact O-N 3.11Å
225A98.8Very high98.4Very high2 Ų239.8 Ų39.82%0.01718%0.181CC..Hα-helixtrans-62.3-50.9-178.100000111.7D221 R227 R228 V229 F364D221-A225 VanDerWaalsContact O-CB 3.32Å; D221-A225 WeakPolarHBondContact O-CB 3.34Å; D221-A225 PolarHBondContact O-N 2.88Å; A225-R227 VanDerWaalsContact C-N 3.3Å; A225-R227 PolarHBondContact O-N 3.16Å; A225-R228 PolarHBondContact O-N 2.92Å; A225-V229 WeakPolarHBondContact O-CB 3.42Å; A225-V229 VanDerWaalsContact O-CG2 3.3Å; A225-V229 WeakPolarHBondContact O-CG2 3.4Å; A225-V229 PolarHBondContact O-N 3.17Å; A225-F364 HydrophobicContact CB-CB 4.2Å; A225-F364 HydrophobicContact CB-CD1 3.45Å; A225-F364 VanDerWaalsContact CB-CD1 3.45Å; A225-F364 HydrophobicContact CB-CE1 3.99Å; A225-F364 HydrophobicContact CB-CG 3.93Å
226C98.9Very high98.4Very high0 Ų039.5 Ų39.50%018%0.18CC..Hα-helixtrans-63.4-37.7-179.4-67.40000111.9L222 A230 K260 I261L222-C226 WeakPolarHBondContact O-CB 3.17Å; L222-C226 PolarHBondContact O-N 3.44Å; L222-C226 PolarHBondContact O-SG 2.92Å; C226-A230 WeakPolarHBondContact O-CB 3.42Å; C226-A230 PolarHBondContact O-N 3.2Å; C226-K260 HydrophobicContact CB-CB 3.63Å; C226-I261 HydrophobicContact CB-CG1 3.72Å
227R98.9Very high98.4Very high122 Ų12239.5 Ų39.546%0.4618%0.18SC..Hα-helixtrans-63.9-44.4177.9-173.4176.2166.684.20.3112.4D223 V224 A225 W231 T264 F268D223-R227 VanDerWaalsContact O-CB 3.29Å; D223-R227 WeakPolarHBondContact O-CB 3.29Å; D223-R227 PolarHBondContact O-N 3.03Å; D223-R227 VanDerWaalsContact O-N 3.1Å; V224-R227 PolarHBondContact O-N 2.76Å; A225-R227 VanDerWaalsContact C-N 3.3Å; A225-R227 PolarHBondContact O-N 3.16Å; R227-W231 PolarHBondContact O-N 2.69Å; R227-W231 VanDerWaalsContact O-N 3.11Å; R227-T264 HydrophobicContact CB-CG2 4.3Å; R227-T264 HydrophobicContact CG-CG2 3.89Å; R227-F268 HydrophobicContact CG-CZ 3.96Å; R227-F268 VanDerWaalsContact NH1-CE1 3.34Å
228R98.9Very high98.4Very high96 Ų9639 Ų3936%0.36218%0.177SC..Hα-helixtrans-65.8-46.1176.7-72.8173.6172.5175.6-0.2112V224 A225 A230 W231 G232 F364 N386 D387 V388V224-R228 WeakPolarHBondContact O-CG 3.47Å; V224-R228 PolarHBondContact O-N 2.81Å; V224-R228 VanDerWaalsContact O-N 3.11Å; A225-R228 PolarHBondContact O-N 2.92Å; R228-A230 PolarHBondContact O-N 3.42Å; R228-W231 PolarHBondContact O-N 3.3Å; R228-G232 PolarHBondContact O-N 3.26Å; R228-F364 HydrophobicContact CB-CE1 4.18Å; R228-F364 HydrophobicContact CB-CZ 4.2Å; R228-N386 VanDerWaalsContact CD-O 3.29Å; R228-N386 WeakPolarHBondContact CD-O 3.44Å; R228-N386 PolarHBondContact NH1-O 2.73Å; R228-D387 WeakPolarHBondContact CD-OD1 3.22Å; R228-D387 IonicContact CZ-OD2 2.77Å; R228-D387 IonicContact NE-OD2 3.91Å; R228-D387 PolarHBondContact NE-OD2 3.12Å; R228-V388 WeakPolarHBondContact O-CG2 3.41Å
229V98.9Very high98.5Very high0 Ų030.9 Ų30.90%015%0.147CC..Hα-helixtrans-61.7-44.6177.2171.80000111.3A225 W231 G232 K233 P244 I247 L337 F364 V388A225-V229 WeakPolarHBondContact O-CB 3.42Å; A225-V229 VanDerWaalsContact O-CG2 3.3Å; A225-V229 WeakPolarHBondContact O-CG2 3.4Å; A225-V229 PolarHBondContact O-N 3.17Å; V229-W231 VanDerWaalsContact C-N 3.34Å; V229-W231 PolarHBondContact O-N 3.1Å; V229-G232 PolarHBondContact O-N 2.76Å; V229-K233 WeakPolarHBondContact O-CB 3.34Å; V229-K233 PolarHBondContact O-N 2.6Å; V229-P244 HydrophobicContact CG1-CB 4.43Å; V229-P244 HydrophobicContact CG1-CG 4.12Å; V229-I247 HydrophobicContact CG1-CD1 4.17Å; V229-L337 HydrophobicContact CG1-CD2 4.05Å; V229-F364 HydrophobicContact CG2-CD2 4.35Å; V229-F364 HydrophobicContact CG2-CE2 3.61Å; V229-F364 HydrophobicContact CG2-CZ 3.77Å; V229-V388 HydrophobicContact CG2-CG1 4.34Å
230A98.9Very high98.6Very high0 Ų027.4 Ų27.40%013%0.128CC..Hα-helixtrans-60.4-44177.300000111.7C226 R228 K233 Y234 I261 T264 F268C226-A230 WeakPolarHBondContact O-CB 3.42Å; C226-A230 PolarHBondContact O-N 3.2Å; R228-A230 PolarHBondContact O-N 3.42Å; A230-K233 PolarHBondContact O-N 2.67Å; A230-Y234 HydrophobicContact CB-CD2 4.15Å; A230-Y234 HydrophobicContact CB-CE2 4.21Å; A230-Y234 WeakPolarHBondContact O-CB 3.27Å; A230-Y234 WeakPolarHBondContact O-CD2 3.25Å; A230-Y234 PolarHBondContact O-N 2.98Å; A230-I261 HydrophobicContact CB-CG2 4.08Å; A230-T264 HydrophobicContact CB-CG2 3.72Å; A230-F268 HydrophobicContact CB-CE2 4.35Å
231W98.9Very high98.7Very high78 Ų7827.4 Ų27.430%0.29513%0.128SC..Hα-helixtrans-58.9-54176.9166.672.1000111.5R227 R228 V229 K233 M235 F268 V388 I389 M390R227-W231 PolarHBondContact O-N 2.69Å; R227-W231 VanDerWaalsContact O-N 3.11Å; R228-W231 PolarHBondContact O-N 3.3Å; V229-W231 VanDerWaalsContact C-N 3.34Å; V229-W231 PolarHBondContact O-N 3.1Å; W231-K233 VanDerWaalsContact C-N 3.33Å; W231-K233 PolarHBondContact O-N 2.82Å; W231-M235 HydrophobicContact CD2-CE 4.28Å; W231-M235 HydrophobicContact CH2-CE 3.99Å; W231-M235 HydrophobicContact CZ2-CE 3.19Å; W231-M235 VanDerWaalsContact O-CB 3.27Å; W231-M235 WeakPolarHBondContact O-CB 3.27Å; W231-M235 PolarHBondContact O-N 2.84Å; W231-F268 HydrophobicContact CB-CE2 3.77Å; W231-F268 HydrophobicContact CB-CZ 4.05Å; W231-V388 HydrophobicContact CE3-CG2 3.94Å; W231-V388 HydrophobicContact CZ3-CG2 4.06Å; W231-I389 HydrophobicContact CH2-CB 4.07Å; W231-I389 HydrophobicContact CH2-CG1 4.39Å; W231-I389 HydrophobicContact CH2-CG2 4.37Å; W231-I389 HydrophobicContact CZ3-CB 4.05Å; W231-I389 HydrophobicContact CZ3-CG1 4.14Å; W231-M390 HydrophobicContact CH2-CE 3.45Å; W231-M390 VanDerWaalsContact CH2-CE 3.45Å; W231-M390 HydrophobicContact CH2-SD 4.2Å; W231-M390 HydrophobicContact CZ2-CE 4.37Å; W231-M390 HydrophobicContact CZ3-CE 4.18Å
232G98.8Very high98.8Very high0 Ų024.8 Ų24.80%011%0.114CC..Hα-helixtrans-68-29.7-179.900000113.9R228 V229R228-G232 PolarHBondContact O-N 3.26Å; V229-G232 PolarHBondContact O-N 2.76Å
233K98.9Very high98.8Very high1 Ų124.2 Ų24.20%0.00411%0.112CC..Hα-helixtrans-72.4-43.9178.9178.656.8177.1-169.80112.6V229 A230 W231 G238 P244 D245 G334 I336 L337V229-K233 WeakPolarHBondContact O-CB 3.34Å; V229-K233 PolarHBondContact O-N 2.6Å; A230-K233 PolarHBondContact O-N 2.67Å; W231-K233 VanDerWaalsContact C-N 3.33Å; W231-K233 PolarHBondContact O-N 2.82Å; K233-G238 WeakPolarHBondContact O-CA 3.44Å; K233-G238 PolarHBondContact O-N 3.18Å; K233-P244 HydrophobicContact CB-CG 4Å; K233-P244 VanDerWaalsContact CD-O 3.24Å; K233-P244 WeakPolarHBondContact CD-O 3.17Å; K233-P244 PolarHBondContact NZ-O 3.24Å; K233-D245 PolarHBondContact NZ-O 3.33Å; K233-G334 WeakPolarHBondContact CE-O 3.34Å; K233-G334 PolarHBondContact NZ-O 2.94Å; K233-I336 WeakPolarHBondContact CE-O 3.37Å; K233-I336 PolarHBondContact NZ-O 3.14Å; K233-L337 HydrophobicContact CD-CB 4.39Å; K233-L337 HydrophobicContact CD-CD1 4.01Å; K233-L337 HydrophobicContact CG-CB 4.17Å; K233-L337 HydrophobicContact CG-CD1 4.22Å; K233-L337 HydrophobicContact CG-CD2 4.3Å; K233-L337 HydrophobicContact CG-CG 4.48Å
234Y98.9Very high98.8Very high0 Ų020 Ų200%09%0.09CC..Hα-helixtrans-99.6-11.9-168.7-58.7-56.4000113.2A230 N236 C237 I261 V265 Y269 P315 I317 P335A230-Y234 HydrophobicContact CB-CD2 4.15Å; A230-Y234 HydrophobicContact CB-CE2 4.21Å; A230-Y234 WeakPolarHBondContact O-CB 3.27Å; A230-Y234 WeakPolarHBondContact O-CD2 3.25Å; A230-Y234 PolarHBondContact O-N 2.98Å; Y234-N236 PolarHBondContact O-N 2.71Å; Y234-C237 WeakPolarHBondContact O-CA 3.31Å; Y234-C237 PolarHBondContact O-N 3.17Å; Y234-I261 HydrophobicContact CE2-CG2 3.82Å; Y234-V265 HydrophobicContact CD2-CG2 3.78Å; Y234-V265 HydrophobicContact CE2-CG2 3.56Å; Y234-Y269 WeakPolarHBondContact CB-OH 3.43Å; Y234-P315 HydrophobicContact CD1-CB 3.68Å; Y234-P315 HydrophobicContact CD1-CG 4.17Å; Y234-P315 HydrophobicContact CD2-CB 4.19Å; Y234-P315 HydrophobicContact CE1-CB 3.51Å; Y234-P315 HydrophobicContact CE1-CG 4.47Å; Y234-P315 HydrophobicContact CE2-CB 4.03Å; Y234-P315 HydrophobicContact CG-CB 4.03Å; Y234-P315 HydrophobicContact CG-CG 4.32Å; Y234-I317 WeakPolarHBondContact OH-CG1 3.39Å; Y234-P335 HydrophobicContact CD1-CB 3.86Å; Y234-P335 HydrophobicContact CE1-CB 4.25Å
235M98.6Very high98.8Very high15 Ų1517.6 Ų17.67%0.0747%0.074CC..G310 helixtrans-49.5130.3163.7178-170.6-65.600110.5H59 Y113 W231 C237 G238H59-M235 WeakPolarHBondContact NE2-CE 3.47Å; Y113-M235 PolarHBondContact OH-SD 3.03Å; W231-M235 HydrophobicContact CD2-CE 4.28Å; W231-M235 HydrophobicContact CH2-CE 3.99Å; W231-M235 HydrophobicContact CZ2-CE 3.19Å; W231-M235 VanDerWaalsContact O-CB 3.27Å; W231-M235 WeakPolarHBondContact O-CB 3.27Å; W231-M235 PolarHBondContact O-N 2.84Å; M235-C237 PolarHBondContact O-N 3.39Å; M235-G238 PolarHBondContact O-N 2.96Å
236N98.7Very high98.8Very high0 Ų017.7 Ų17.70%07%0.074CC..G310 helixtrans58.228.7179.3-15444.1000113K51 N112 Y234 G238 Q239 E280K51-N236 WeakPolarHBondContact CE-OD1 3.13Å; K51-N236 PolarHBondContact NZ-OD1 3.35Å; N112-N236 PolarHBondContact O-ND2 2.98Å; Y234-N236 PolarHBondContact O-N 2.71Å; N236-G238 PolarHBondContact O-N 3.08Å; N236-Q239 PolarHBondContact ND2-O 3.3Å; N236-Q239 VanDerWaalsContact O-CB 3.28Å; N236-Q239 WeakPolarHBondContact O-CB 3.36Å; N236-Q239 WeakPolarHBondContact O-CG 3.21Å; N236-Q239 PolarHBondContact O-N 3.2Å; N236-Q239 VanDerWaalsContact O-N 3.09Å; N236-Q239 PolarHBondContact O-NE2 2.96Å; N236-E280 WeakPolarHBondContact CA-OE2 3.44Å; N236-E280 PolarHBondContact N-OE2 3.01Å
237C98.5Very high98.8Very high1 Ų117.7 Ų17.71%0.0077%0.074CC..G310 helixtrans5232.6-167.1-66.70000114.2Y234 M235 Q239 E280 I282 G334 P335Y234-C237 WeakPolarHBondContact O-CA 3.31Å; Y234-C237 PolarHBondContact O-N 3.17Å; M235-C237 PolarHBondContact O-N 3.39Å; C237-Q239 PolarHBondContact O-N 3.35Å; C237-E280 PolarHBondContact N-OE2 3.46Å; C237-E280 PolarHBondContact SG-O 3.1Å; C237-I282 HydrophobicContact CB-CD1 4Å; C237-G334 CarbonylContact O-C 3.36Å; C237-G334 WeakPolarHBondContact O-CA 3.37Å; C237-P335 HydrophobicContact CB-CB 4.47Å; C237-P335 HydrophobicContact CB-CG 4.19Å; C237-P335 WeakPolarHBondContact O-CD 3.19Å
238G98.7Very high98.8Very high1 Ų111.9 Ų11.91%0.015%0.052CC..G310 helixtrans69.313.3-177.800000114.7K233 M235 N236 T240 F333 G334K233-G238 WeakPolarHBondContact O-CA 3.44Å; K233-G238 PolarHBondContact O-N 3.18Å; M235-G238 PolarHBondContact O-N 2.96Å; N236-G238 PolarHBondContact O-N 3.08Å; G238-T240 PolarHBondContact O-N 3.27Å; G238-F333 CarbonylContact O-C 3.59Å; G238-F333 WeakPolarHBondContact O-CA 3.38Å; G238-G334 PolarHBondContact O-N 2.84Å; G238-G334 VanDerWaalsContact O-N 3.15Å
239Q98.9Very high98.8Very high1 Ų17.3 Ų7.31%0.0054%0.035CC..  trans-80.261174.7-60.4170.4117.300109.6W111 N112 N236 C237 R281 F333W111-Q239 HydrophobicContact CH2-CB 4.07Å; W111-Q239 HydrophobicContact CH2-CG 4.11Å; W111-Q239 HydrophobicContact CZ3-CB 3.99Å; W111-Q239 HydrophobicContact CZ3-CG 4.21Å; N112-Q239 HydrophobicContact CB-CB 4.41Å; N112-Q239 WeakPolarHBondContact CB-O 3.41Å; N112-Q239 PolarHBondContact ND2-O 3.3Å; N236-Q239 PolarHBondContact ND2-O 3.3Å; N236-Q239 VanDerWaalsContact O-CB 3.28Å; N236-Q239 WeakPolarHBondContact O-CB 3.36Å; N236-Q239 WeakPolarHBondContact O-CG 3.21Å; N236-Q239 PolarHBondContact O-N 3.2Å; N236-Q239 VanDerWaalsContact O-N 3.09Å; N236-Q239 PolarHBondContact O-NE2 2.96Å; C237-Q239 PolarHBondContact O-N 3.35Å; Q239-R281 PolarHBondContact NE2-O 3.05Å; Q239-R281 VanDerWaalsContact NE2-O 3.12Å; Q239-F333 VanDerWaalsContact C-CZ 3.48Å; Q239-F333 HydrophobicContact CB-CD1 3.82Å; Q239-F333 HydrophobicContact CB-CE1 3.73Å; Q239-F333 HydrophobicContact CG-CD1 4.2Å
240T98.8Very high98.8Very high11 Ų119.3 Ų9.37%0.0674%0.044CC..  trans-144.5124.5-171.5-53.30000109.6Y113 G238 I242 A243 I389Y113-T240 HydrophobicContact CE2-CG2 3.81Å; Y113-T240 WeakPolarHBondContact CE2-OG1 3.28Å; Y113-T240 PolarHBondContact OH-OG1 2.95Å; G238-T240 PolarHBondContact O-N 3.27Å; T240-I242 HydrophobicContact CG2-CG1 3.73Å; T240-I242 PolarHBondContact O-N 3.34Å; T240-I242 VanDerWaalsContact O-N 3.12Å; T240-A243 WeakPolarHBondContact O-CB 3.3Å; T240-A243 PolarHBondContact O-N 2.88Å; T240-I389 HydrophobicContact CG2-CD1 4.44Å
241C98.3Very high98.8Very high19 Ų1912.2 Ų12.213%0.1287%0.068CC..THydrogen-bonded Turntrans-60.3-28-175.4-49.70000112.8S212 L359S212-C241 PolarHBondContact OG-O 3.1Å; C241-L359 HydrophobicContact CB-CD2 3.58Å
242I98.8Very high98.7Very high9 Ų912.1 Ų12.15%0.0468%0.08CC..THydrogen-bonded Turntrans-100.17.1177.356.2171.2000113.3T240 L359 A360 Y362 I389 F392 F399T240-I242 HydrophobicContact CG2-CG1 3.73Å; T240-I242 PolarHBondContact O-N 3.34Å; T240-I242 VanDerWaalsContact O-N 3.12Å; I242-L359 HydrophobicContact CG2-CD2 3.51Å; I242-L359 HydrophobicContact CG2-CG 3.76Å; I242-A360 HydrophobicContact CB-CB 4.13Å; I242-A360 HydrophobicContact CG2-CB 3.96Å; I242-Y362 VanDerWaalsContact O-CE2 3.29Å; I242-Y362 WeakPolarHBondContact O-CE2 3.35Å; I242-Y362 VanDerWaalsContact O-CZ 3.31Å; I242-Y362 PolarHBondContact O-OH 2.83Å; I242-I389 HydrophobicContact CB-CD1 4.24Å; I242-I389 HydrophobicContact CD1-CB 4.46Å; I242-I389 HydrophobicContact CD1-CD1 3.99Å; I242-I389 HydrophobicContact CD1-CG2 3.86Å; I242-I389 HydrophobicContact CG1-CD1 3.67Å; I242-I389 WeakPolarHBondContact O-CD1 3.04Å; I242-F392 HydrophobicContact CD1-CB 3.81Å; I242-F392 HydrophobicContact CD1-CD2 4.16Å; I242-F392 HydrophobicContact CD1-CG 4.14Å; I242-F399 HydrophobicContact CD1-CE2 4.46Å; I242-F399 HydrophobicContact CG2-CE2 3.92Å; I242-F399 HydrophobicContact CG2-CZ 4.17Å
243A98.9Very high98.7Very high5 Ų512.8 Ų12.84%0.0418%0.083CC..SBendtrans-59.4145.5170.900000110.1S212 T240 D245S212-A243 WeakPolarHBondContact CB-O 3.44Å; T240-A243 WeakPolarHBondContact O-CB 3.3Å; T240-A243 PolarHBondContact O-N 2.88Å; A243-D245 PolarHBondContact O-N 3.2Å
244P98.9Very high98.7Very high0 Ų013.1 Ų13.10%09%0.085CC..  trans-59.9109.4167.826.6-33.3000108.2C214 V229 K233 Y362 V388C214-P244 HydrophobicContact CB-CB 4.01Å; V229-P244 HydrophobicContact CG1-CB 4.43Å; V229-P244 HydrophobicContact CG1-CG 4.12Å; K233-P244 HydrophobicContact CB-CG 4Å; K233-P244 VanDerWaalsContact CD-O 3.24Å; K233-P244 WeakPolarHBondContact CD-O 3.17Å; K233-P244 PolarHBondContact NZ-O 3.24Å; P244-Y362 HydrophobicContact CB-CD2 4.09Å; P244-Y362 HydrophobicContact CB-CE2 4.33Å; P244-V388 HydrophobicContact CB-CG1 4.44Å; P244-V388 HydrophobicContact CG-CG1 4.3Å
245D98.9Very high98.6Very high8 Ų819.6 Ų19.64%0.04312%0.119CC..  trans-75.7-44.2-172.2-176.3-89.7000110K211 S212 K233 A243 I332 P338K211-D245 HydrophobicContact CB-CB 4.16Å; K211-D245 WeakPolarHBondContact CE-OD1 3.38Å; K211-D245 IonicContact NZ-OD1 3.5Å; K211-D245 PolarHBondContact NZ-OD1 3.07Å; K211-D245 IonicContact NZ-OD2 3.74Å; S212-D245 PolarHBondContact O-N 2.79Å; K233-D245 PolarHBondContact NZ-O 3.33Å; A243-D245 PolarHBondContact O-N 3.2Å; D245-I332 WeakPolarHBondContact O-CD1 3.47Å; D245-I332 WeakPolarHBondContact OD2-CB 3.39Å; D245-I332 WeakPolarHBondContact OD2-CG1 3.4Å; D245-I332 PolarHBondContact OD2-N 3.19Å; D245-P338 WeakPolarHBondContact O-CD 3.42Å
246Y98.9Very high98.6Very high4 Ų423.6 Ų23.62%0.01614%0.138CC..EExtended strand (participates in β ladder)trans-146.2159.417865.5-82.2000112.1K211 P213 C214 L248 M328 P338 F351K211-Y246 HydrophobicContact CB-CD1 4.02Å; K211-Y246 HydrophobicContact CB-CE1 3.69Å; K211-Y246 WeakPolarHBondContact O-CE1 3.49Å; P213-Y246 HydrophobicContact CB-CE1 4.12Å; P213-Y246 HydrophobicContact CB-CE2 4.1Å; C214-Y246 WeakPolarHBondContact CB-O 3.35Å; C214-Y246 PolarHBondContact N-O 3.2Å; Y246-L248 HydrophobicContact CD2-CD2 4.27Å; Y246-L248 HydrophobicContact CD2-CG 4.04Å; Y246-L248 HydrophobicContact CE2-CD1 3.84Å; Y246-L248 HydrophobicContact CE2-CD2 3.9Å; Y246-L248 HydrophobicContact CE2-CG 3.63Å; Y246-M328 HydrophobicContact CD1-CE 3.91Å; Y246-M328 HydrophobicContact CD2-CE 3.68Å; Y246-M328 HydrophobicContact CD2-SD 4.49Å; Y246-M328 HydrophobicContact CE1-CE 4.19Å; Y246-M328 HydrophobicContact CE2-CE 3.94Å; Y246-M328 HydrophobicContact CG-CE 3.64Å; Y246-M328 HydrophobicContact CG-SD 4.08Å; Y246-P338 WeakPolarHBondContact CA-O 3.41Å; Y246-F351 HydrophobicContact CD2-CE1 4.47Å; Y246-F351 HydrophobicContact CE2-CD1 4.06Å; Y246-F351 AromaticContact CE2-CE1 3.53Å; Y246-F351 HydrophobicContact CE2-CE1 3.53Å; Y246-F351 HydrophobicContact CE2-CZ 4.5Å; Y246-F351 AromaticContact CZ-CE1 3.82Å
247I98.9Very high98.7Very high0 Ų023.6 Ų23.60%014%0.138CC..EExtended strand (participates in β ladder)trans-100.6139.3174.6-67.2173.1000110.4C214 I216 V229 C249 I257 I261 L337 P338 I339 V340C214-I247 HydrophobicContact CB-CG1 4.42Å; C214-I247 CarbonylContact O-C 3.44Å; C214-I247 VanDerWaalsContact O-CA 3.31Å; C214-I247 WeakPolarHBondContact O-CA 3.42Å; I216-I247 HydrophobicContact CD1-CD1 4Å; I216-I247 HydrophobicContact CD1-CG1 4.32Å; I216-I247 HydrophobicContact CD1-CG2 3.94Å; I216-I247 HydrophobicContact CG1-CG2 4.2Å; V229-I247 HydrophobicContact CG1-CD1 4.17Å; I247-C249 HydrophobicContact CG2-CB 4.09Å; I247-I257 HydrophobicContact CD1-CG2 3.88Å; I247-I257 HydrophobicContact CG2-CD1 4.5Å; I247-I261 HydrophobicContact CD1-CD1 4.18Å; I247-L337 HydrophobicContact CD1-CD1 4.47Å; I247-L337 HydrophobicContact CD1-CD2 3.84Å; I247-L337 HydrophobicContact CD1-CG 4.21Å; I247-L337 HydrophobicContact CG1-CD1 4.19Å; I247-L337 HydrophobicContact CG1-CD2 4.44Å; I247-L337 HydrophobicContact CG1-CG 4.4Å; I247-P338 PolarHBondContact N-O 3.46Å; I247-I339 HydrophobicContact CB-CG1 4.27Å; I247-I339 HydrophobicContact CB-CG2 4.32Å; I247-I339 HydrophobicContact CD1-CG1 4.39Å; I247-I339 HydrophobicContact CG2-CG2 4.11Å; I247-V340 PolarHBondContact O-N 3.49Å
248L98.9Very high98.7Very high0 Ų024.3 Ų24.30%014%0.143CC..EExtended strand (participates in β ladder)trans-112.3123.7163-66.1167.9000108.8C214 Y215 I216 Y246 V340 V342 A348 F351 I352C214-L248 PolarHBondContact O-N 3.44Å; Y215-L248 WeakPolarHBondContact CA-O 2.95Å; Y215-L248 HydrophobicContact CD2-CB 4.02Å; I216-L248 PolarHBondContact N-O 3.37Å; Y246-L248 HydrophobicContact CD2-CD2 4.27Å; Y246-L248 HydrophobicContact CD2-CG 4.04Å; Y246-L248 HydrophobicContact CE2-CD1 3.84Å; Y246-L248 HydrophobicContact CE2-CD2 3.9Å; Y246-L248 HydrophobicContact CE2-CG 3.63Å; L248-V340 WeakPolarHBondContact CA-O 3.48Å; L248-V340 HydrophobicContact CD2-CB 3.91Å; L248-V340 HydrophobicContact CD2-CG1 4.01Å; L248-V342 HydrophobicContact CB-CG2 4.15Å; L248-V342 HydrophobicContact CD2-CG1 3.78Å; L248-A348 HydrophobicContact CD1-CB 4.26Å; L248-F351 HydrophobicContact CD1-CD1 3.94Å; L248-F351 HydrophobicContact CD1-CG 4.47Å; L248-F351 HydrophobicContact CD2-CD1 3.8Å; L248-F351 HydrophobicContact CD2-CE1 4.01Å; L248-F351 HydrophobicContact CD2-CG 4.07Å; L248-F351 HydrophobicContact CD2-CZ 4.43Å; L248-F351 HydrophobicContact CG-CD1 4.45Å; L248-I352 HydrophobicContact CD1-CD1 4.09Å; L248-I352 HydrophobicContact CD1-CG1 3.9Å
249C98.8Very high98.7Very high0 Ų028.6 Ų28.60%016%0.162CC..EExtended strand (participates in β ladder)trans-155.3168.5177.371.10000111.7I216 I247 L253 I257 V340 S341 V342I216-C249 HydrophobicContact CB-CB 4.27Å; I247-C249 HydrophobicContact CG2-CB 4.09Å; C249-L253 HydrophobicContact CB-CB 4.48Å; C249-L253 HydrophobicContact CB-CD1 4.25Å; C249-I257 HydrophobicContact CB-CD1 4.04Å; C249-V340 PolarHBondContact N-O 3.44Å; C249-S341 CarbonylContact O-C 3.51Å; C249-S341 VanDerWaalsContact O-CA 3.29Å; C249-S341 WeakPolarHBondContact O-CA 3.47Å; C249-V342 PolarHBondContact O-N 3.12Å
250E98.5Very high98.7Very high42 Ų4230.3 Ų30.320%0.19617%0.17CC..  trans-62142.2167-72.9-175.9-164.800110.9S252 L253 V342E250-S252 PolarHBondContact O-N 3.17Å; E250-S252 VanDerWaalsContact O-N 3.12Å; E250-L253 HydrophobicContact CB-CD1 4.41Å; E250-L253 HydrophobicContact CB-CG 4.32Å; E250-L253 WeakPolarHBondContact O-CB 3.48Å; E250-L253 PolarHBondContact O-N 2.93Å; E250-V342 VanDerWaalsContact CA-O 3.31Å; E250-V342 WeakPolarHBondContact CA-O 3.2Å
251A98.3Very high98.7Very high61 Ų6129.8 Ų29.850%0.50417%0.166SC..G310 helixtrans-57.1-31.5-177.500000113.2L253 Q254 S341A251-L253 PolarHBondContact O-N 3.2Å; A251-Q254 PolarHBondContact O-N 3.36Å; A251-S341 WeakPolarHBondContact CA-OG 3.33Å; A251-S341 WeakPolarHBondContact CB-OG 3.5Å
252S98.1Very high98.7Very high77 Ų7733.5 Ų33.554%0.53818%0.18SC..G310 helixtrans-62.6-22177.659.30000113.7E250E250-S252 PolarHBondContact O-N 3.17Å; E250-S252 VanDerWaalsContact O-N 3.12Å
253L98.4Very high98.7Very high13 Ų1337.2 Ų37.27%0.06820%0.197CC..G310 helixtrans-87.9-18.8-178.5-55.3179.9000113R218 L222 C249 E250 A251 N255 Q256 I257R218-L253 HydrophobicContact CB-CD1 4.27Å; L222-L253 HydrophobicContact CD1-CD2 4.3Å; C249-L253 HydrophobicContact CB-CB 4.48Å; C249-L253 HydrophobicContact CB-CD1 4.25Å; E250-L253 HydrophobicContact CB-CD1 4.41Å; E250-L253 HydrophobicContact CB-CG 4.32Å; E250-L253 WeakPolarHBondContact O-CB 3.48Å; E250-L253 PolarHBondContact O-N 2.93Å; A251-L253 PolarHBondContact O-N 3.2Å; L253-N255 PolarHBondContact O-N 2.72Å; L253-Q256 PolarHBondContact O-N 2.94Å; L253-Q256 VanDerWaalsContact O-N 3.09Å; L253-I257 HydrophobicContact CB-CD1 3.85Å; L253-I257 HydrophobicContact CB-CG1 4.43Å; L253-I257 WeakPolarHBondContact O-CG1 3.22Å; L253-I257 PolarHBondContact O-N 3.04Å
254Q98.2Very high98.7Very high8 Ų837.4 Ų37.44%0.03720%0.198CC..Hα-helixtrans-52.7-49.8-170.8-72.3-163.968.400112.9A251 Q256 I257 V258 T319 D320 I339 S341A251-Q254 PolarHBondContact O-N 3.36Å; Q254-Q256 VanDerWaalsContact C-N 3.33Å; Q254-Q256 PolarHBondContact O-N 2.85Å; Q254-I257 PolarHBondContact O-N 3.31Å; Q254-V258 VanDerWaalsContact O-CG2 3.27Å; Q254-V258 WeakPolarHBondContact O-CG2 3.32Å; Q254-V258 PolarHBondContact O-N 2.95Å; Q254-T319 VanDerWaalsContact OE1-CB 3.25Å; Q254-D320 PolarHBondContact NE2-OD1 2.73Å; Q254-I339 HydrophobicContact CG-CG2 3.86Å; Q254-S341 PolarHBondContact NE2-OG 3.41Å
255N98.5Very high98.7Very high136 Ų13637.4 Ų37.473%0.72720%0.198SC*.Hα-helixtrans-63.3-38.9-177.5-70.1-20.3000112.4L253 Q259L253-N255 PolarHBondContact O-N 2.72Å; N255-Q259 WeakPolarHBondContact O-CB 3.45Å; N255-Q259 PolarHBondContact O-N 2.85Å
256Q98.6Very high98.7Very high99 Ų9941.9 Ų41.946%0.46322%0.217SC..Hα-helixtrans-69.2-41178.6-64.6-179.658.800111L222 L253 Q254 Q259 K260L222-Q256 HydrophobicContact CD1-CB 3.99Å; L253-Q256 PolarHBondContact O-N 2.94Å; L253-Q256 VanDerWaalsContact O-N 3.09Å; Q254-Q256 VanDerWaalsContact C-N 3.33Å; Q254-Q256 PolarHBondContact O-N 2.85Å; Q256-Q259 PolarHBondContact O-N 2.94Å; Q256-K260 WeakPolarHBondContact O-CB 3.44Å; Q256-K260 VanDerWaalsContact O-CG 3.31Å; Q256-K260 WeakPolarHBondContact O-CG 3.11Å; Q256-K260 PolarHBondContact O-N 2.8Å
257I98.9Very high98.7Very high0 Ų047.2 Ų47.20%025%0.246CC..Hα-helixtrans-62-49.4176.1-69166.1000110.4I216 L222 I247 C249 L253 Q254 Q259 K260 I261 I339I216-I257 HydrophobicContact CD1-CD1 4.15Å; I216-I257 HydrophobicContact CG2-CD1 4.49Å; L222-I257 HydrophobicContact CD2-CG1 4.13Å; I247-I257 HydrophobicContact CD1-CG2 3.88Å; I247-I257 HydrophobicContact CG2-CD1 4.5Å; C249-I257 HydrophobicContact CB-CD1 4.04Å; L253-I257 HydrophobicContact CB-CD1 3.85Å; L253-I257 HydrophobicContact CB-CG1 4.43Å; L253-I257 WeakPolarHBondContact O-CG1 3.22Å; L253-I257 PolarHBondContact O-N 3.04Å; Q254-I257 PolarHBondContact O-N 3.31Å; I257-Q259 VanDerWaalsContact C-N 3.32Å; I257-Q259 PolarHBondContact O-N 2.82Å; I257-K260 PolarHBondContact O-N 2.97Å; I257-I261 HydrophobicContact CG2-CD1 3.64Å; I257-I261 HydrophobicContact CG2-CG1 4.31Å; I257-I261 WeakPolarHBondContact O-CB 2.93Å; I257-I261 VanDerWaalsContact O-CG1 3.29Å; I257-I261 WeakPolarHBondContact O-CG1 3.24Å; I257-I261 PolarHBondContact O-N 2.97Å; I257-I339 HydrophobicContact CB-CD1 4.42Å; I257-I339 HydrophobicContact CG2-CD1 3.84Å
258V98.9Very high98.7Very high17 Ų1749.8 Ų49.810%0.10326%0.258CS..Hα-helixtrans-55.6-48.7177.51700000110.8Q254 K262 A301 I317 T319 I339Q254-V258 VanDerWaalsContact O-CG2 3.27Å; Q254-V258 WeakPolarHBondContact O-CG2 3.32Å; Q254-V258 PolarHBondContact O-N 2.95Å; V258-K262 VanDerWaalsContact O-CB 3.27Å; V258-K262 WeakPolarHBondContact O-CB 3.42Å; V258-K262 PolarHBondContact O-N 2.76Å; V258-A301 HydrophobicContact CG1-CB 3.97Å; V258-A301 HydrophobicContact CG2-CB 3.98Å; V258-I317 HydrophobicContact CG2-CG2 3.93Å; V258-T319 HydrophobicContact CG2-CG2 3.57Å; V258-I339 HydrophobicContact CG2-CD1 4.05Å
259Q98.8Very high98.7Very high90 Ų9050.8 Ų50.842%0.42126%0.261SS..Hα-helixtrans-63.9-47.1-177.1-176.159.22600112N255 Q256 I257 K262 E263N255-Q259 WeakPolarHBondContact O-CB 3.45Å; N255-Q259 PolarHBondContact O-N 2.85Å; Q256-Q259 PolarHBondContact O-N 2.94Å; I257-Q259 VanDerWaalsContact C-N 3.32Å; I257-Q259 PolarHBondContact O-N 2.82Å; Q259-K262 WeakPolarHBondContact O-CB 3.14Å; Q259-K262 PolarHBondContact O-N 3.09Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.06Å; Q259-E263 PolarHBondContact NE2-OE1 3.07Å; Q259-E263 WeakPolarHBondContact O-CG 3.46Å; Q259-E263 PolarHBondContact O-N 3.43Å
260K98.9Very high98.6Very high37 Ų3752.4 Ų52.416%0.16128%0.278CS..Hα-helixtrans-68.9-37-178.8-69173.7-173.5-68.80112.8L222 D223 C226 Q256 I257 T264L222-K260 HydrophobicContact CB-CD 3.7Å; D223-K260 IonicContact OD1-NZ 3.99Å; D223-K260 PolarHBondContact OD1-NZ 3.06Å; D223-K260 IonicContact OD2-NZ 2.68Å; D223-K260 PolarHBondContact OD2-NZ 3.33Å; C226-K260 HydrophobicContact CB-CB 3.63Å; Q256-K260 WeakPolarHBondContact O-CB 3.44Å; Q256-K260 VanDerWaalsContact O-CG 3.31Å; Q256-K260 WeakPolarHBondContact O-CG 3.11Å; Q256-K260 PolarHBondContact O-N 2.8Å; I257-K260 PolarHBondContact O-N 2.97Å; K260-T264 WeakPolarHBondContact O-CB 3.33Å; K260-T264 PolarHBondContact O-N 3.16Å; K260-T264 PolarHBondContact O-OG1 3.12Å
261I98.9Very high98.5Very high0 Ų057.4 Ų57.40%030%0.301CS..Hα-helixtrans-66.8-41.8173.4-66.7178.9000110.1C226 A230 Y234 I247 I257 E263 T264 V265 I317 L337C226-I261 HydrophobicContact CB-CG1 3.72Å; A230-I261 HydrophobicContact CB-CG2 4.08Å; Y234-I261 HydrophobicContact CE2-CG2 3.82Å; I247-I261 HydrophobicContact CD1-CD1 4.18Å; I257-I261 HydrophobicContact CG2-CD1 3.64Å; I257-I261 HydrophobicContact CG2-CG1 4.31Å; I257-I261 WeakPolarHBondContact O-CB 2.93Å; I257-I261 VanDerWaalsContact O-CG1 3.29Å; I257-I261 WeakPolarHBondContact O-CG1 3.24Å; I257-I261 PolarHBondContact O-N 2.97Å; I261-E263 PolarHBondContact O-N 2.76Å; I261-T264 PolarHBondContact O-N 3.32Å; I261-V265 HydrophobicContact CG2-CG2 4.25Å; I261-V265 WeakPolarHBondContact O-CB 3.46Å; I261-V265 VanDerWaalsContact O-CG2 3.3Å; I261-V265 WeakPolarHBondContact O-CG2 3.35Å; I261-V265 PolarHBondContact O-N 3.17Å; I261-I317 HydrophobicContact CB-CD1 3.72Å; I261-I317 HydrophobicContact CG2-CD1 3.48Å; I261-I317 VanDerWaalsContact CG2-CD1 3.48Å; I261-I317 HydrophobicContact CG2-CG1 4.22Å; I261-L337 HydrophobicContact CD1-CD2 3.74Å
262K98.8Very high98.5Very high97 Ų9759.6 Ų59.642%0.42230%0.304SS..Hα-helixtrans-59.2-46.3175.5172.4178.4178.8-175.20112V258 Q259 V265 K266 F302V258-K262 VanDerWaalsContact O-CB 3.27Å; V258-K262 WeakPolarHBondContact O-CB 3.42Å; V258-K262 PolarHBondContact O-N 2.76Å; Q259-K262 WeakPolarHBondContact O-CB 3.14Å; Q259-K262 PolarHBondContact O-N 3.09Å; K262-V265 PolarHBondContact O-N 2.98Å; K262-K266 PolarHBondContact O-N 2.85Å; K262-K266 VanDerWaalsContact O-N 3.08Å; K262-F302 HydrophobicContact CB-CD2 4.13Å; K262-F302 HydrophobicContact CB-CE2 4.32Å; K262-F302 HydrophobicContact CB-CG 4.25Å; K262-F302 HydrophobicContact CD-CD2 3.75Å; K262-F302 HydrophobicContact CD-CE2 4.07Å; K262-F302 HydrophobicContact CG-CD2 3.7Å; K262-F302 HydrophobicContact CG-CE2 3.65Å; K262-F302 HydrophobicContact CG-CG 4.32Å; K262-F302 HydrophobicContact CG-CZ 4.21Å
263E98.8Very high98.5Very high87 Ų8756.9 Ų56.941%0.40728%0.284SS..Hα-helixtrans-60.1-46.5175.3-73.4165.4-175.600111Q259 I261 V265 K266 D267Q259-E263 WeakPolarHBondContact CG-OE1 3.06Å; Q259-E263 PolarHBondContact NE2-OE1 3.07Å; Q259-E263 WeakPolarHBondContact O-CG 3.46Å; Q259-E263 PolarHBondContact O-N 3.43Å; I261-E263 PolarHBondContact O-N 2.76Å; E263-V265 VanDerWaalsContact C-N 3.35Å; E263-V265 PolarHBondContact O-N 3.43Å; E263-K266 WeakPolarHBondContact O-CB 3.35Å; E263-K266 PolarHBondContact O-N 2.67Å; E263-D267 PolarHBondContact O-N 3.4Å
264T98.9Very high98.4Very high10 Ų1060.2 Ų60.26%0.06130%0.298CS..Hα-helixtrans-61-42176.7-59.90000112.5R227 A230 K260 I261 K266 D267 F268R227-T264 HydrophobicContact CB-CG2 4.3Å; R227-T264 HydrophobicContact CG-CG2 3.89Å; A230-T264 HydrophobicContact CB-CG2 3.72Å; K260-T264 WeakPolarHBondContact O-CB 3.33Å; K260-T264 PolarHBondContact O-N 3.16Å; K260-T264 PolarHBondContact O-OG1 3.12Å; I261-T264 PolarHBondContact O-N 3.32Å; T264-K266 VanDerWaalsContact C-N 3.3Å; T264-K266 PolarHBondContact O-N 2.84Å; T264-D267 WeakPolarHBondContact O-CB 3.32Å; T264-D267 PolarHBondContact O-N 3Å; T264-D267 VanDerWaalsContact O-N 3.16Å; T264-F268 HydrophobicContact CG2-CD1 4.28Å; T264-F268 HydrophobicContact CG2-CD2 3.65Å; T264-F268 HydrophobicContact CG2-CE1 3.95Å; T264-F268 HydrophobicContact CG2-CE2 3.22Å; T264-F268 HydrophobicContact CG2-CG 4.16Å; T264-F268 HydrophobicContact CG2-CZ 3.4Å; T264-F268 WeakPolarHBondContact O-CG 3.17Å; T264-F268 PolarHBondContact O-N 3.45Å
265V98.8Very high98.4Very high0 Ų063.3 Ų63.30%032%0.324CS..Hα-helixtrans-60.5-42.5177.8162.20000110.6Y234 I261 K262 E263 F268 Y269 I273 F302 P315Y234-V265 HydrophobicContact CD2-CG2 3.78Å; Y234-V265 HydrophobicContact CE2-CG2 3.56Å; I261-V265 HydrophobicContact CG2-CG2 4.25Å; I261-V265 WeakPolarHBondContact O-CB 3.46Å; I261-V265 VanDerWaalsContact O-CG2 3.3Å; I261-V265 WeakPolarHBondContact O-CG2 3.35Å; I261-V265 PolarHBondContact O-N 3.17Å; K262-V265 PolarHBondContact O-N 2.98Å; E263-V265 VanDerWaalsContact C-N 3.35Å; E263-V265 PolarHBondContact O-N 3.43Å; V265-F268 PolarHBondContact O-N 3.29Å; V265-Y269 HydrophobicContact CG1-CD2 4.1Å; V265-Y269 WeakPolarHBondContact O-CD2 3.43Å; V265-Y269 PolarHBondContact O-N 3.37Å; V265-I273 HydrophobicContact CG1-CD1 3.57Å; V265-I273 HydrophobicContact CG1-CG1 4.39Å; V265-F302 HydrophobicContact CB-CE1 4.13Å; V265-F302 HydrophobicContact CB-CZ 4.27Å; V265-F302 HydrophobicContact CG1-CE1 3.83Å; V265-F302 HydrophobicContact CG1-CZ 3.76Å; V265-F302 HydrophobicContact CG2-CE1 4.2Å; V265-P315 HydrophobicContact CG1-CB 3.96Å; V265-P315 HydrophobicContact CG1-CG 3.94Å; V265-P315 HydrophobicContact CG2-CB 3.93Å; V265-P315 HydrophobicContact CG2-CG 4.47Å
266K98.6Very high98.4Very high102 Ų10257.4 Ų57.444%0.44329%0.294SS..Hα-helixtrans-64.3-39.9174.3174.6175.9160.8170.80111.8K262 E263 T264 G270 E271K262-K266 PolarHBondContact O-N 2.85Å; K262-K266 VanDerWaalsContact O-N 3.08Å; E263-K266 WeakPolarHBondContact O-CB 3.35Å; E263-K266 PolarHBondContact O-N 2.67Å; T264-K266 VanDerWaalsContact C-N 3.3Å; T264-K266 PolarHBondContact O-N 2.84Å; K266-G270 WeakPolarHBondContact O-CA 3.4Å; K266-G270 PolarHBondContact O-N 3.36Å; K266-E271 WeakPolarHBondContact CE-OE1 3.48Å; K266-E271 IonicContact NZ-OE1 2.73Å; K266-E271 PolarHBondContact NZ-OE1 3.42Å
267D98.8Very high98.3Very high116 Ų11657 Ų5762%0.6230%0.299SS*.Hα-helixtrans-65.4-37.6176.7-71.5-8.7000112.5E263 T264E263-D267 PolarHBondContact O-N 3.4Å; T264-D267 WeakPolarHBondContact O-CB 3.32Å; T264-D267 PolarHBondContact O-N 3Å; T264-D267 VanDerWaalsContact O-N 3.16Å
268F98.7Very high98.3Very high54 Ų5459.7 Ų59.724%0.23731%0.314CS..Hα-helixtrans-77.5-43.1-179.5-69.6-15.8000113.3R227 A230 W231 T264 V265R227-F268 HydrophobicContact CG-CZ 3.96Å; R227-F268 VanDerWaalsContact NH1-CE1 3.34Å; A230-F268 HydrophobicContact CB-CE2 4.35Å; W231-F268 HydrophobicContact CB-CE2 3.77Å; W231-F268 HydrophobicContact CB-CZ 4.05Å; T264-F268 HydrophobicContact CG2-CD1 4.28Å; T264-F268 HydrophobicContact CG2-CD2 3.65Å; T264-F268 HydrophobicContact CG2-CE1 3.95Å; T264-F268 HydrophobicContact CG2-CE2 3.22Å; T264-F268 HydrophobicContact CG2-CG 4.16Å; T264-F268 HydrophobicContact CG2-CZ 3.4Å; T264-F268 WeakPolarHBondContact O-CG 3.17Å; T264-F268 PolarHBondContact O-N 3.45Å; V265-F268 PolarHBondContact O-N 3.29Å
269Y98.7Very high98.3Very high21 Ų2159 Ų598%0.08231%0.31CS..Hα-helixtrans-118.6-0.7-166.8-51.4-62.3000113.5Y234 V265 I273 S276 D278 Y279 P315Y234-Y269 WeakPolarHBondContact CB-OH 3.43Å; V265-Y269 HydrophobicContact CG1-CD2 4.1Å; V265-Y269 WeakPolarHBondContact O-CD2 3.43Å; V265-Y269 PolarHBondContact O-N 3.37Å; Y269-I273 HydrophobicContact CG-CG2 4.33Å; Y269-S276 WeakPolarHBondContact O-CB 3.43Å; Y269-D278 HydrophobicContact CD1-CB 4.32Å; Y269-D278 HydrophobicContact CE1-CB 4.3Å; Y269-D278 WeakPolarHBondContact CE1-O 3.49Å; Y269-Y279 HydrophobicContact CD1-CD2 4.25Å; Y269-Y279 HydrophobicContact CD1-CG 4.49Å; Y269-Y279 HydrophobicContact CD2-CD2 4.43Å; Y269-Y279 AromaticContact CE1-CD2 3.96Å; Y269-Y279 HydrophobicContact CE1-CD2 3.96Å; Y269-Y279 HydrophobicContact CE2-CD2 4.13Å; Y269-Y279 HydrophobicContact CG-CD2 4.47Å; Y269-Y279 AromaticContact CZ-CD2 3.88Å; Y269-P315 HydrophobicContact CD2-CG 4.48Å
270G98.3Very high98.3Very high33 Ų3354.8 Ų54.834%0.3429%0.29SS..  trans73.2-175.5-175.700000113.5K266K266-G270 WeakPolarHBondContact O-CA 3.4Å; K266-G270 PolarHBondContact O-N 3.36Å
271E96.4Very high98.3Very high147 Ų14754.8 Ų54.869%0.68729%0.289SS*.SBendtrans-69.1-37.8179.1-65.4-74.8-168.700112.4K266K266-E271 WeakPolarHBondContact CE-OE1 3.48Å; K266-E271 IonicContact NZ-OE1 2.73Å; K266-E271 PolarHBondContact NZ-OE1 3.42Å
272N97.1Very high98.3Very high107 Ų10754.8 Ų54.857%0.57229%0.289SS*.  trans-10277.1177.4-1756000110.5K274 A275N272-K274 PolarHBondContact O-N 2.97Å; N272-K274 VanDerWaalsContact O-N 3.14Å; N272-A275 HydrophobicContact CB-CB 4.44Å; N272-A275 PolarHBondContact O-N 3.01Å
273I98.2Very high98.3Very high20 Ų2050.4 Ų50.410%0.10327%0.27CS..G310 helixtrans-53.3-37-176.9-54.8170.7000111.8V265 Y269 A275 S276 Y279 F302 Y312 P315V265-I273 HydrophobicContact CG1-CD1 3.57Å; V265-I273 HydrophobicContact CG1-CG1 4.39Å; Y269-I273 HydrophobicContact CG-CG2 4.33Å; I273-A275 PolarHBondContact O-N 3.21Å; I273-S276 VanDerWaalsContact O-CB 3.26Å; I273-S276 WeakPolarHBondContact O-CB 3.39Å; I273-S276 PolarHBondContact O-N 3.26Å; I273-Y279 HydrophobicContact CG2-CD1 3.88Å; I273-Y279 HydrophobicContact CG2-CD2 4.48Å; I273-Y279 HydrophobicContact CG2-CE1 4.26Å; I273-Y279 HydrophobicContact CG2-CG 3.99Å; I273-F302 HydrophobicContact CD1-CZ 4.44Å; I273-Y312 HydrophobicContact CG2-CE2 4.37Å; I273-P315 HydrophobicContact CD1-CG 4.29Å; I273-P315 HydrophobicContact CG2-CG 4.2Å
274K97.4Very high98.3Very high84 Ų8447.9 Ų47.937%0.36526%0.26SS..G310 helixtrans-61-27.3179.8-168177.2-179.6-175.50112.9N272 R281 D307 Y312N272-K274 PolarHBondContact O-N 2.97Å; N272-K274 VanDerWaalsContact O-N 3.14Å; K274-R281 PolarHBondContact O-NH2 3.47Å; K274-D307 WeakPolarHBondContact CE-OD2 3.39Å; K274-D307 IonicContact NZ-OD2 3.27Å; K274-D307 PolarHBondContact NZ-OD2 3.37Å; K274-Y312 HydrophobicContact CB-CD2 4.3Å; K274-Y312 HydrophobicContact CB-CE1 4.34Å; K274-Y312 HydrophobicContact CB-CE2 3.95Å; K274-Y312 HydrophobicContact CD-CD1 4.25Å; K274-Y312 HydrophobicContact CD-CE1 4.49Å; K274-Y312 HydrophobicContact CD-CG 4.44Å; K274-Y312 HydrophobicContact CG-CD1 4.26Å; K274-Y312 HydrophobicContact CG-CD2 4.06Å; K274-Y312 HydrophobicContact CG-CE1 4.43Å; K274-Y312 HydrophobicContact CG-CE2 4.22Å; K274-Y312 HydrophobicContact CG-CG 4.07Å
275A97.3Very high98.3Very high72 Ų7251.4 Ų51.460%0.59528%0.278SS*.G310 helixtrans-92.4-5.2176.800000113.6N272 I273N272-A275 HydrophobicContact CB-CB 4.44Å; N272-A275 PolarHBondContact O-N 3.01Å; I273-A275 PolarHBondContact O-N 3.21Å
276S98.4Very high98.2Very high13 Ų1361.2 Ų61.29%0.09131%0.314CS..  trans-64.9130.2178.5-178.50000110.6Y269 I273 D278Y269-S276 WeakPolarHBondContact O-CB 3.43Å; I273-S276 VanDerWaalsContact O-CB 3.26Å; I273-S276 WeakPolarHBondContact O-CB 3.39Å; I273-S276 PolarHBondContact O-N 3.26Å; S276-D278 PolarHBondContact O-N 2.78Å; S276-D278 PolarHBondContact OG-N 2.79Å
277P97.6Very high98.3Very high89 Ų8958 Ų5858%0.57830%0.301SS*.THydrogen-bonded Turntrans-70.5-20.3173.430.5-34.5000112.2S52 Y279S52-P277 WeakPolarHBondContact CB-O 3.42Å; P277-Y279 VanDerWaalsContact C-N 3.34Å
278D98.1Very high98.3Very high58 Ų5852.5 Ų52.531%0.3127%0.272SS..THydrogen-bonded Turntrans-92.43.8-174.9-56.1-57.9000113.2N55 Y269 S276N55-D278 PolarHBondContact ND2-O 3.09Å; Y269-D278 HydrophobicContact CD1-CB 4.32Å; Y269-D278 HydrophobicContact CE1-CB 4.3Å; Y269-D278 WeakPolarHBondContact CE1-O 3.49Å; S276-D278 PolarHBondContact O-N 2.78Å; S276-D278 PolarHBondContact OG-N 2.79Å
279Y98.8Very high98.3Very high2 Ų253.9 Ų53.91%0.00828%0.278CS..  trans-113.9116.8177.1-164.7-110.8000111Y269 I273 P277 R281 Y312 L313 P315 P335Y269-Y279 HydrophobicContact CD1-CD2 4.25Å; Y269-Y279 HydrophobicContact CD1-CG 4.49Å; Y269-Y279 HydrophobicContact CD2-CD2 4.43Å; Y269-Y279 AromaticContact CE1-CD2 3.96Å; Y269-Y279 HydrophobicContact CE1-CD2 3.96Å; Y269-Y279 HydrophobicContact CE2-CD2 4.13Å; Y269-Y279 HydrophobicContact CG-CD2 4.47Å; Y269-Y279 AromaticContact CZ-CD2 3.88Å; I273-Y279 HydrophobicContact CG2-CD1 3.88Å; I273-Y279 HydrophobicContact CG2-CD2 4.48Å; I273-Y279 HydrophobicContact CG2-CE1 4.26Å; I273-Y279 HydrophobicContact CG2-CG 3.99Å; P277-Y279 VanDerWaalsContact C-N 3.34Å; Y279-R281 PolarHBondContact O-NH1 3.49Å; Y279-Y312 HydrophobicContact CD1-CD2 4.18Å; Y279-Y312 AromaticContact CD1-CE2 3.87Å; Y279-Y312 HydrophobicContact CD1-CE2 3.87Å; Y279-Y312 HydrophobicContact CE1-CD2 4.02Å; Y279-Y312 AromaticContact CE1-CE2 3.71Å; Y279-Y312 HydrophobicContact CE1-CE2 3.71Å; Y279-L313 WeakPolarHBondContact CE1-O 3.35Å; Y279-L313 PolarHBondContact OH-O 2.87Å; Y279-P315 HydrophobicContact CD2-CG 4.43Å; Y279-P315 HydrophobicContact CE2-CG 3.69Å; Y279-P315 WeakPolarHBondContact OH-CD 3.49Å; Y279-P335 WeakPolarHBondContact OH-CB 3.27Å; Y279-P335 WeakPolarHBondContact OH-CG 3.27Å
280E98.7Very high98.3Very high1 Ų155.6 Ų55.61%0.00528%0.284CS..  trans-74.3-168.4-173.4-66.679.6-16600113.6L49 K51 N55 N236 C237L49-E280 WeakPolarHBondContact O-CB 3.47Å; K51-E280 HydrophobicContact CB-CG 3.84Å; K51-E280 HydrophobicContact CG-CG 3.99Å; N55-E280 PolarHBondContact ND2-OE1 2.62Å; N55-E280 VanDerWaalsContact ND2-OE1 3.07Å; N236-E280 WeakPolarHBondContact CA-OE2 3.44Å; N236-E280 PolarHBondContact N-OE2 3.01Å; C237-E280 PolarHBondContact N-OE2 3.46Å; C237-E280 PolarHBondContact SG-O 3.1Å
281R98.8Very high98.3Very high37 Ų3754 Ų5414%0.1427%0.268CS..  trans-127.9158.6172.9-61.1-63.4179.5-87.8-5.3111.7L49 Q239 K274 Y279 I283 T310L49-R281 PolarHBondContact O-N 3.17Å; Q239-R281 PolarHBondContact NE2-O 3.05Å; Q239-R281 VanDerWaalsContact NE2-O 3.12Å; K274-R281 PolarHBondContact O-NH2 3.47Å; Y279-R281 PolarHBondContact O-NH1 3.49Å; R281-I283 PolarHBondContact O-N 2.88Å; R281-T310 VanDerWaalsContact CD-O 3.24Å; R281-T310 WeakPolarHBondContact CD-O 3.34Å; R281-T310 WeakPolarHBondContact CG-O 3.33Å
282I98.9Very high98.4Very high0 Ų050 Ų500%025%0.249CC..  trans-67.8133175.2-54.1-54.7000109.4C237 N284 H287 F288 L291 R311 L313 P335C237-I282 HydrophobicContact CB-CD1 4Å; I282-N284 PolarHBondContact O-N 3.15Å; I282-H287 HydrophobicContact CG2-CB 3.61Å; I282-F288 HydrophobicContact CB-CB 4.38Å; I282-F288 HydrophobicContact CG1-CD2 4.33Å; I282-F288 HydrophobicContact CG2-CB 4.14Å; I282-L291 HydrophobicContact CD1-CD1 3.51Å; I282-L291 HydrophobicContact CG1-CD1 3.93Å; I282-L291 HydrophobicContact CG2-CD1 4.15Å; I282-R311 HydrophobicContact CB-CB 4.27Å; I282-R311 WeakPolarHBondContact CG1-O 3.43Å; I282-R311 PolarHBondContact N-O 2.96Å; I282-R311 WeakPolarHBondContact O-CB 3.1Å; I282-R311 VanDerWaalsContact O-CD 3.26Å; I282-R311 WeakPolarHBondContact O-CD 3.38Å; I282-R311 PolarHBondContact O-NE 3.24Å; I282-L313 HydrophobicContact CG1-CB 4.47Å; I282-P335 HydrophobicContact CD1-CG 4.48Å
283I98.8Very high98.5Very high6 Ų646.8 Ų46.83%0.03124%0.235CC..SBendtrans-53.6-34.6-168.6-173.761.2000114.4D48 L49 W111 L139 R281 H287 R311D48-I283 WeakPolarHBondContact O-CD1 3.47Å; L49-I283 HydrophobicContact CD2-CD1 3.91Å; W111-I283 HydrophobicContact CD2-CB 4.41Å; W111-I283 HydrophobicContact CD2-CG1 4.13Å; W111-I283 HydrophobicContact CD2-CG2 4.23Å; W111-I283 HydrophobicContact CE3-CB 3.66Å; W111-I283 HydrophobicContact CE3-CD1 4.15Å; W111-I283 HydrophobicContact CE3-CG1 3.64Å; W111-I283 HydrophobicContact CE3-CG2 3.83Å; W111-I283 HydrophobicContact CH2-CB 4.05Å; W111-I283 HydrophobicContact CH2-CG2 3.46Å; W111-I283 VanDerWaalsContact CH2-CG2 3.46Å; W111-I283 HydrophobicContact CZ2-CG2 3.92Å; W111-I283 HydrophobicContact CZ3-CB 3.48Å; W111-I283 VanDerWaalsContact CZ3-CB 3.48Å; W111-I283 HydrophobicContact CZ3-CG1 4.03Å; W111-I283 HydrophobicContact CZ3-CG2 3.45Å; W111-I283 VanDerWaalsContact CZ3-CG2 3.45Å; L139-I283 HydrophobicContact CB-CG1 4.25Å; R281-I283 PolarHBondContact O-N 2.88Å; I283-H287 HydrophobicContact CG2-CB 4.11Å; I283-R311 PolarHBondContact O-NH1 3.43Å
284N98.7Very high98.5Very high34 Ų3445.9 Ų45.918%0.18223%0.23CC..SBendtrans-160173.5178.365.436.5000112.2I282 R286 H287 F288I282-N284 PolarHBondContact O-N 3.15Å; N284-R286 VanDerWaalsContact C-N 3.3Å; N284-R286 PolarHBondContact O-N 3.09Å; N284-R286 WeakPolarHBondContact OD1-CB 3.4Å; N284-R286 PolarHBondContact OD1-N 3.44Å; N284-R286 VanDerWaalsContact OD1-N 3.08Å; N284-H287 PolarHBondContact O-N 3.46Å; N284-H287 PolarHBondContact OD1-CD2 2.84Å; N284-H287 VanDerWaalsContact OD1-CD2 3.29Å; N284-H287 PolarHBondContact OD1-N 2.89Å; N284-F288 WeakPolarHBondContact O-CB 3.38Å; N284-F288 PolarHBondContact O-N 3.38Å
285L98.6Very high98.5Very high84 Ų8442.5 Ų42.544%0.4422%0.216SC..Hα-helixtrans-63.8-33.1-178.2-171.259.8000113.1F288 K289 E308L285-F288 HydrophobicContact CD1-CD1 4.24Å; L285-F288 PolarHBondContact O-N 2.98Å; L285-K289 HydrophobicContact CD1-CG 4.22Å; L285-K289 HydrophobicContact CG-CG 4.31Å; L285-K289 WeakPolarHBondContact O-CB 3.46Å; L285-K289 VanDerWaalsContact O-CG 3.26Å; L285-K289 WeakPolarHBondContact O-CG 3.33Å; L285-K289 PolarHBondContact O-N 3.22Å; L285-E308 HydrophobicContact CD1-CG 3.58Å
286R98.6Very high98.5Very high205 Ų20546.9 Ų46.977%0.77422%0.222SC*.Hα-helixtrans-62.7-50.1177.3177.7-175.1173.8-172.6-1.6111.1N284 F288 R290N284-R286 VanDerWaalsContact C-N 3.3Å; N284-R286 PolarHBondContact O-N 3.09Å; N284-R286 WeakPolarHBondContact OD1-CB 3.4Å; N284-R286 PolarHBondContact OD1-N 3.44Å; N284-R286 VanDerWaalsContact OD1-N 3.08Å; R286-F288 VanDerWaalsContact C-N 3.33Å; R286-R290 PolarHBondContact O-N 3.43Å; R286-R290 VanDerWaalsContact O-N 3.09Å
287H98.8Very high98.3Very high35 Ų3550.5 Ų50.516%0.16226%0.261CS..Hα-helixtrans-65.9-38.2177.7-77-81.1000111.5W111 I282 I283 N284 R290 L291W111-H287 AromaticContact CZ2-CE1 3.86Å; W111-H287 AromaticContact CZ2-NE2 3.9Å; I282-H287 HydrophobicContact CG2-CB 3.61Å; I283-H287 HydrophobicContact CG2-CB 4.11Å; N284-H287 PolarHBondContact O-N 3.46Å; N284-H287 PolarHBondContact OD1-CD2 2.84Å; N284-H287 VanDerWaalsContact OD1-CD2 3.29Å; N284-H287 PolarHBondContact OD1-N 2.89Å; H287-R290 PolarHBondContact O-N 2.9Å; H287-L291 WeakPolarHBondContact O-CG 3.48Å; H287-L291 PolarHBondContact O-N 2.95Å
288F98.9Very high98.4Very high1 Ų147.9 Ų47.90%0.00424%0.241CC..Hα-helixtrans-59.1-51.1175.7179.5-91.5000112.2I282 N284 L285 R286 R290 L291 Q292 M306 E308 R311 Y312I282-F288 HydrophobicContact CB-CB 4.38Å; I282-F288 HydrophobicContact CG1-CD2 4.33Å; I282-F288 HydrophobicContact CG2-CB 4.14Å; N284-F288 WeakPolarHBondContact O-CB 3.38Å; N284-F288 PolarHBondContact O-N 3.38Å; L285-F288 HydrophobicContact CD1-CD1 4.24Å; L285-F288 PolarHBondContact O-N 2.98Å; R286-F288 VanDerWaalsContact C-N 3.33Å; F288-R290 VanDerWaalsContact C-N 3.32Å; F288-R290 PolarHBondContact O-N 3.29Å; F288-L291 PolarHBondContact O-N 3.32Å; F288-Q292 PolarHBondContact O-N 3.29Å; F288-M306 HydrophobicContact CE2-CB 4.49Å; F288-M306 HydrophobicContact CZ-CB 4.02Å; F288-M306 HydrophobicContact CZ-CG 4.37Å; F288-E308 HydrophobicContact CD1-CB 4.46Å; F288-E308 HydrophobicContact CD1-CG 4.24Å; F288-E308 HydrophobicContact CE1-CB 3.69Å; F288-E308 HydrophobicContact CE1-CG 3.9Å; F288-E308 HydrophobicContact CZ-CB 4.01Å; F288-R311 HydrophobicContact CD2-CB 4.33Å; F288-Y312 WeakPolarHBondContact CE2-O 3.44Å
289K98.8Very high98.4Very high83 Ų8351 Ų5136%0.36125%0.251SS..Hα-helixtrans-64.1-36178.9-68-68.5-172.1178.60112.6L285 S293 E308L285-K289 HydrophobicContact CD1-CG 4.22Å; L285-K289 HydrophobicContact CG-CG 4.31Å; L285-K289 WeakPolarHBondContact O-CB 3.46Å; L285-K289 VanDerWaalsContact O-CG 3.26Å; L285-K289 WeakPolarHBondContact O-CG 3.33Å; L285-K289 PolarHBondContact O-N 3.22Å; K289-S293 PolarHBondContact O-N 3.18Å; K289-E308 VanDerWaalsContact CE-CD 3.46Å; K289-E308 WeakPolarHBondContact CE-OE1 3.27Å; K289-E308 WeakPolarHBondContact CE-OE2 3.37Å; K289-E308 IonicContact NZ-OE1 3.64Å; K289-E308 PolarHBondContact NZ-OE1 3.49Å; K289-E308 IonicContact NZ-OE2 2.79Å; K289-E308 PolarHBondContact NZ-OE2 3.21Å
290R98.8Very high98.4Very high57 Ų5754.5 Ų54.522%0.21527%0.27CS..Hα-helixtrans-60-51.9173.5-176.3-171.164.189.61.4110.5R286 H287 F288 Q292 S293 L294 E330 E331 I332R286-R290 PolarHBondContact O-N 3.43Å; R286-R290 VanDerWaalsContact O-N 3.09Å; H287-R290 PolarHBondContact O-N 2.9Å; F288-R290 VanDerWaalsContact C-N 3.32Å; F288-R290 PolarHBondContact O-N 3.29Å; R290-Q292 PolarHBondContact O-N 2.83Å; R290-S293 WeakPolarHBondContact O-CA 3.37Å; R290-S293 WeakPolarHBondContact O-CB 3.43Å; R290-S293 PolarHBondContact O-N 3.27Å; R290-S293 PolarHBondContact O-OG 2.97Å; R290-L294 PolarHBondContact O-N 3.23Å; R290-E330 VanDerWaalsContact CD-OE1 3.27Å; R290-E330 WeakPolarHBondContact CD-OE1 3.32Å; R290-E330 WeakPolarHBondContact CG-OE1 3.25Å; R290-E330 IonicContact CZ-OE1 3.89Å; R290-E330 IonicContact NE-OE1 2.56Å; R290-E330 IonicContact NH1-OE1 2.84Å; R290-E330 PolarHBondContact NH1-OE1 2.83Å; R290-E331 PolarHBondContact NH1-O 3.19Å; R290-I332 PolarHBondContact NH1-O 3.46Å; R290-I332 PolarHBondContact NH2-O 3.33Å
291L98.9Very high98.4Very high0 Ų056.5 Ų56.50%029%0.287CS..Hα-helixtrans-59.9-44.2178.2-70.2170.2000112.4I282 H287 F288 S293 L294 L313 I332 I336I282-L291 HydrophobicContact CD1-CD1 3.51Å; I282-L291 HydrophobicContact CG1-CD1 3.93Å; I282-L291 HydrophobicContact CG2-CD1 4.15Å; H287-L291 WeakPolarHBondContact O-CG 3.48Å; H287-L291 PolarHBondContact O-N 2.95Å; F288-L291 PolarHBondContact O-N 3.32Å; L291-S293 PolarHBondContact O-N 2.97Å; L291-L294 HydrophobicContact CD2-CD1 4.22Å; L291-L294 WeakPolarHBondContact O-CB 3.31Å; L291-L294 PolarHBondContact O-N 3.17Å; L291-L313 HydrophobicContact CB-CD1 3.82Å; L291-I332 HydrophobicContact CD2-CG2 3.99Å; L291-I332 WeakPolarHBondContact CD2-O 3.22Å; L291-I336 HydrophobicContact CB-CD1 4.23Å; L291-I336 HydrophobicContact CD2-CD1 4.08Å
292Q98.5Very high98.4Very high62 Ų6256.6 Ų56.629%0.2929%0.288SS..Hα-helixtrans-55.1-37.9173.3179.1178.758.200111.8F288 R290 L294 L295 M306F288-Q292 PolarHBondContact O-N 3.29Å; R290-Q292 PolarHBondContact O-N 2.83Å; Q292-L294 VanDerWaalsContact C-N 3.29Å; Q292-L294 PolarHBondContact O-N 3.1Å; Q292-L295 PolarHBondContact O-N 3.35Å; Q292-M306 HydrophobicContact CB-SD 3.8Å; Q292-M306 HydrophobicContact CG-CE 4.01Å; Q292-M306 HydrophobicContact CG-SD 3.77Å
293S98.6Very high98.4Very high39 Ų3957.3 Ų57.327%0.27330%0.296SS..Hα-helixtrans-68.9-25.8178.585.20000113.8K289 R290 L291 L295 K296K289-S293 PolarHBondContact O-N 3.18Å; R290-S293 WeakPolarHBondContact O-CA 3.37Å; R290-S293 WeakPolarHBondContact O-CB 3.43Å; R290-S293 PolarHBondContact O-N 3.27Å; R290-S293 PolarHBondContact O-OG 2.97Å; L291-S293 PolarHBondContact O-N 2.97Å; S293-L295 VanDerWaalsContact C-N 3.31Å; S293-K296 PolarHBondContact O-N 2.97Å
294L98.7Very high98.4Very high1 Ų157.8 Ų57.81%0.00530%0.302CS..Hα-helixtrans-72.2-25178.3-58.1-176.3000112.6R290 L291 Q292 K296 Q298 K326 V327 E330 I332 I336R290-L294 PolarHBondContact O-N 3.23Å; L291-L294 HydrophobicContact CD2-CD1 4.22Å; L291-L294 WeakPolarHBondContact O-CB 3.31Å; L291-L294 PolarHBondContact O-N 3.17Å; Q292-L294 VanDerWaalsContact C-N 3.29Å; Q292-L294 PolarHBondContact O-N 3.1Å; L294-K296 VanDerWaalsContact C-N 3.32Å; L294-Q298 VanDerWaalsContact O-CG 3.25Å; L294-Q298 WeakPolarHBondContact O-CG 3.36Å; L294-K326 HydrophobicContact CD2-CB 4.05Å; L294-V327 HydrophobicContact CB-CB 4.17Å; L294-V327 HydrophobicContact CB-CG2 4.11Å; L294-V327 HydrophobicContact CD1-CG2 4.4Å; L294-E330 HydrophobicContact CD2-CG 4.07Å; L294-I332 HydrophobicContact CD1-CG2 4.48Å; L294-I336 HydrophobicContact CB-CD1 4.33Å
295L98.3Very high98.4Very high13 Ų1361.4 Ų61.47%0.06832%0.318CS..THydrogen-bonded Turntrans-77.8-14.9179-63.2178000113.5Q292 S293 G297 Q298 M306 T316 L318 I336Q292-L295 PolarHBondContact O-N 3.35Å; S293-L295 VanDerWaalsContact C-N 3.31Å; L295-G297 PolarHBondContact O-N 2.65Å; L295-Q298 WeakPolarHBondContact O-CB 3.26Å; L295-Q298 PolarHBondContact O-N 3.5Å; L295-M306 HydrophobicContact CD1-CE 3.97Å; L295-M306 HydrophobicContact CD1-SD 4.08Å; L295-T316 HydrophobicContact CD2-CG2 3.85Å; L295-L318 HydrophobicContact CD2-CD1 4.42Å; L295-L318 HydrophobicContact CD2-CD2 3.97Å; L295-I336 HydrophobicContact CD1-CD1 4.46Å; L295-I336 HydrophobicContact CD2-CD1 3.7Å; L295-I336 HydrophobicContact CD2-CG1 4Å; L295-I336 HydrophobicContact CD2-CG2 3.91Å; L295-I336 HydrophobicContact CG-CD1 3.88Å
296K96.3Very high98.3Very high165 Ų16560.8 Ų60.872%0.71731%0.313SS*.THydrogen-bonded Turntrans-64.8124.9-177.3-68.1-175.2177.4-175.70111S293 L294 Q298S293-K296 PolarHBondContact O-N 2.97Å; L294-K296 VanDerWaalsContact C-N 3.32Å; K296-Q298 PolarHBondContact O-N 3.45Å
297G95.4Very high98.3Very high89 Ų8952.8 Ų52.892%0.91829%0.286SS*.THydrogen-bonded Turntrans75.58.7178.700000114.4L295L295-G297 PolarHBondContact O-N 2.65Å
298Q98.4Very high98.3Very high34 Ų3455 Ų5516%0.15930%0.296CS..  trans-92.6152.5178.1-59.4-64.9-21.500111.5L294 L295 K296 I300 L318 S325L294-Q298 VanDerWaalsContact O-CG 3.25Å; L294-Q298 WeakPolarHBondContact O-CG 3.36Å; L295-Q298 WeakPolarHBondContact O-CB 3.26Å; L295-Q298 PolarHBondContact O-N 3.5Å; K296-Q298 PolarHBondContact O-N 3.45Å; Q298-I300 PolarHBondContact O-N 3.4Å; Q298-L318 HydrophobicContact CB-CD1 3.9Å; Q298-L318 HydrophobicContact CB-CD2 3.92Å; Q298-L318 HydrophobicContact CB-CG 4.42Å; Q298-L318 HydrophobicContact CG-CD1 3.84Å; Q298-S325 VanDerWaalsContact NE2-CB 3.29Å; Q298-S325 PolarHBondContact NE2-OG 3.24Å
299K98.5Very high98.3Very high122 Ų12259.5 Ų59.553%0.5333%0.333SS..  trans-86.5101.7171.9-176.9-179.3174.3-174.20109.6A301 L318 T319 D320K299-A301 PolarHBondContact O-N 3.2Å; K299-L318 WeakPolarHBondContact O-CA 3.33Å; K299-T319 PolarHBondContact O-N 2.81Å; K299-T319 VanDerWaalsContact O-N 3.16Å; K299-D320 IonicContact NZ-OD2 3.31Å; K299-D320 PolarHBondContact NZ-OD2 2.68Å
300I98.8Very high98.3Very high77 Ų7758.2 Ų58.240%0.39533%0.333SS..EExtended strand (participates in β ladder)trans-79.5115.7178.1-57.6175.2000108.7Q298 F302 G303 T316 L318Q298-I300 PolarHBondContact O-N 3.4Å; I300-F302 WeakPolarHBondContact CG2-O 3.37Å; I300-G303 WeakPolarHBondContact CG2-O 2.98Å; I300-T316 HydrophobicContact CG2-CG2 4.15Å; I300-L318 HydrophobicContact CB-CD2 4.39Å; I300-L318 HydrophobicContact CG1-CD2 3.79Å
301A98.8Very high98.3Very high43 Ų4359.1 Ų59.136%0.35534%0.336SS..EExtended strand (participates in β ladder)trans-89.7-29.3177.700000112.5V258 K299 I317 T319V258-A301 HydrophobicContact CG1-CB 3.97Å; V258-A301 HydrophobicContact CG2-CB 3.98Å; K299-A301 PolarHBondContact O-N 3.2Å; A301-I317 PolarHBondContact N-O 2.84Å; A301-T319 HydrophobicContact CB-CG2 3.67Å
302F98.8Very high98.3Very high38 Ų3859.9 Ų59.917%0.16734%0.339CS..EExtended strand (participates in β ladder)trans-154.9145.6177.6170.7-108.1000109.9K262 V265 I273 I300 P315 T316 I317K262-F302 HydrophobicContact CB-CD2 4.13Å; K262-F302 HydrophobicContact CB-CE2 4.32Å; K262-F302 HydrophobicContact CB-CG 4.25Å; K262-F302 HydrophobicContact CD-CD2 3.75Å; K262-F302 HydrophobicContact CD-CE2 4.07Å; K262-F302 HydrophobicContact CG-CD2 3.7Å; K262-F302 HydrophobicContact CG-CE2 3.65Å; K262-F302 HydrophobicContact CG-CG 4.32Å; K262-F302 HydrophobicContact CG-CZ 4.21Å; V265-F302 HydrophobicContact CB-CE1 4.13Å; V265-F302 HydrophobicContact CB-CZ 4.27Å; V265-F302 HydrophobicContact CG1-CE1 3.83Å; V265-F302 HydrophobicContact CG1-CZ 3.76Å; V265-F302 HydrophobicContact CG2-CE1 4.2Å; I273-F302 HydrophobicContact CD1-CZ 4.44Å; I300-F302 WeakPolarHBondContact CG2-O 3.37Å; F302-P315 WeakPolarHBondContact CD1-O 3.11Å; F302-P315 HydrophobicContact CE1-CB 4.21Å; F302-P315 VanDerWaalsContact CE1-O 3.31Å; F302-P315 WeakPolarHBondContact CE1-O 3.12Å; F302-T316 WeakPolarHBondContact O-CA 3.3Å; F302-I317 HydrophobicContact CB-CB 4.35Å; F302-I317 HydrophobicContact CB-CD1 4.13Å; F302-I317 HydrophobicContact CB-CG1 4.34Å; F302-I317 HydrophobicContact CD1-CD1 4Å; F302-I317 HydrophobicContact CD1-CG1 4.15Å; F302-I317 HydrophobicContact CG-CD1 4.45Å; F302-I317 PolarHBondContact N-O 2.56Å; F302-I317 PolarHBondContact O-N 3.43Å
303G98.6Very high98.3Very high16 Ų1657 Ų5717%0.16533%0.326CS..  trans76.6-141.5178.400000113.6I300 E305 P315I300-G303 WeakPolarHBondContact CG2-O 2.98Å; G303-E305 WeakPolarHBondContact CA-OE2 3.33Å; G303-P315 WeakPolarHBondContact CA-O 3.47Å
304G97.9Very high98.3Very high15 Ų1555.1 Ų55.116%0.15531%0.313CS..  trans91.7-5.4-178.200000114.5T316G304-T316 PolarHBondContact N-OG1 2.98Å
305E98.6Very high98.3Very high111 Ų11155.1 Ų55.152%0.51931%0.312SS..  trans-67.2139.1174.5-55.879.6-176.800110.6G303 Y312 A314G303-E305 WeakPolarHBondContact CA-OE2 3.33Å; E305-Y312 HydrophobicContact CB-CE1 4.38Å; E305-A314 HydrophobicContact CB-CB 4.11Å; E305-A314 PolarHBondContact O-N 2.87Å; E305-A314 WeakPolarHBondContact OE2-CB 3.26Å
306M98.3Very high98.3Very high70 Ų7054.5 Ų54.535%0.34531%0.309SS..EExtended strand (participates in β ladder)trans-138.4142.9-175.8-76.3179.1-74.300110.3F288 Q292 L295 Y312 L313F288-M306 HydrophobicContact CE2-CB 4.49Å; F288-M306 HydrophobicContact CZ-CB 4.02Å; F288-M306 HydrophobicContact CZ-CG 4.37Å; Q292-M306 HydrophobicContact CB-SD 3.8Å; Q292-M306 HydrophobicContact CG-CE 4.01Å; Q292-M306 HydrophobicContact CG-SD 3.77Å; L295-M306 HydrophobicContact CD1-CE 3.97Å; L295-M306 HydrophobicContact CD1-SD 4.08Å; M306-Y312 CarbonylContact C-O 3.47Å; M306-Y312 VanDerWaalsContact CA-O 3.31Å; M306-Y312 WeakPolarHBondContact CA-O 3.24Å; M306-L313 HydrophobicContact CG-CB 4.36Å; M306-L313 HydrophobicContact CG-CD1 3.96Å; M306-L313 HydrophobicContact CG-CG 3.78Å; M306-L313 HydrophobicContact SD-CD1 3.89Å; M306-L313 HydrophobicContact SD-CG 4.35Å
307D98.6Very high98.4Very high38 Ų3846.6 Ų46.620%0.20328%0.275CS..EExtended strand (participates in β ladder)trans-135110.3166.5170.617.7000109.4K274 A309 T310 R311 Y312K274-D307 WeakPolarHBondContact CE-OD2 3.39Å; K274-D307 IonicContact NZ-OD2 3.27Å; K274-D307 PolarHBondContact NZ-OD2 3.37Å; D307-A309 WeakPolarHBondContact OD1-CB 3.38Å; D307-A309 PolarHBondContact OD1-N 2.79Å; D307-T310 VanDerWaalsContact CG-OG1 3.23Å; D307-T310 WeakPolarHBondContact OD2-CG2 3.29Å; D307-T310 PolarHBondContact OD2-OG1 2.64Å; D307-R311 CarbonylContact O-C 3.59Å; D307-R311 WeakPolarHBondContact O-CA 3.28Å; D307-R311 PolarHBondContact O-N 2.93Å; D307-Y312 HydrophobicContact CB-CD1 4.34Å; D307-Y312 PolarHBondContact N-O 3.26Å; D307-Y312 PolarHBondContact O-N 3.13Å
308E98.4Very high98.6Very high81 Ų8142.4 Ų42.438%0.37923%0.231SC..THydrogen-bonded Turntrans-65.6-37-177.8-176.6167.9159.200113.2L285 F288 K289 T310 R311L285-E308 HydrophobicContact CD1-CG 3.58Å; F288-E308 HydrophobicContact CD1-CB 4.46Å; F288-E308 HydrophobicContact CD1-CG 4.24Å; F288-E308 HydrophobicContact CE1-CB 3.69Å; F288-E308 HydrophobicContact CE1-CG 3.9Å; F288-E308 HydrophobicContact CZ-CB 4.01Å; K289-E308 VanDerWaalsContact CE-CD 3.46Å; K289-E308 WeakPolarHBondContact CE-OE1 3.27Å; K289-E308 WeakPolarHBondContact CE-OE2 3.37Å; K289-E308 IonicContact NZ-OE1 3.64Å; K289-E308 PolarHBondContact NZ-OE1 3.49Å; K289-E308 IonicContact NZ-OE2 2.79Å; K289-E308 PolarHBondContact NZ-OE2 3.21Å; E308-T310 VanDerWaalsContact C-N 3.25Å; E308-T310 PolarHBondContact O-N 3.31Å; E308-R311 PolarHBondContact O-N 3.13Å; E308-R311 VanDerWaalsContact O-N 3.13Å
309A98.2Very high98.6Very high95 Ų9541.1 Ų41.179%0.78523%0.226SC*.THydrogen-bonded Turntrans-64.6-35.4-176.100000111.4D307D307-A309 WeakPolarHBondContact OD1-CB 3.38Å; D307-A309 PolarHBondContact OD1-N 2.79Å
310T98.1Very high98.6Very high56 Ų5639.7 Ų39.734%0.34422%0.224SC..THydrogen-bonded Turntrans-99.2-0.5176.559.50000113.3R281 D307 E308 Y312R281-T310 VanDerWaalsContact CD-O 3.24Å; R281-T310 WeakPolarHBondContact CD-O 3.34Å; R281-T310 WeakPolarHBondContact CG-O 3.33Å; D307-T310 VanDerWaalsContact CG-OG1 3.23Å; D307-T310 WeakPolarHBondContact OD2-CG2 3.29Å; D307-T310 PolarHBondContact OD2-OG1 2.64Å; E308-T310 VanDerWaalsContact C-N 3.25Å; E308-T310 PolarHBondContact O-N 3.31Å; T310-Y312 PolarHBondContact O-N 3.26Å; T310-Y312 WeakPolarHBondContact OG1-CB 3.29Å
311R98.7Very high98.6Very high76 Ų7636.4 Ų36.429%0.28721%0.207SC..THydrogen-bonded Turntrans54.434.7-173.1-55.5167.6-66.8-179.5-3.7112.3I282 I283 F288 D307 E308I282-R311 HydrophobicContact CB-CB 4.27Å; I282-R311 WeakPolarHBondContact CG1-O 3.43Å; I282-R311 PolarHBondContact N-O 2.96Å; I282-R311 WeakPolarHBondContact O-CB 3.1Å; I282-R311 VanDerWaalsContact O-CD 3.26Å; I282-R311 WeakPolarHBondContact O-CD 3.38Å; I282-R311 PolarHBondContact O-NE 3.24Å; I283-R311 PolarHBondContact O-NH1 3.43Å; F288-R311 HydrophobicContact CD2-CB 4.33Å; D307-R311 CarbonylContact O-C 3.59Å; D307-R311 WeakPolarHBondContact O-CA 3.28Å; D307-R311 PolarHBondContact O-N 2.93Å; E308-R311 PolarHBondContact O-N 3.13Å; E308-R311 VanDerWaalsContact O-N 3.13Å
312Y98.9Very high98.6Very high17 Ų1738.4 Ų38.47%0.06721%0.212CC..EExtended strand (participates in β ladder)trans-88128.8179.2166.1-96.4000110.7I273 K274 Y279 F288 E305 M306 D307 T310 A314I273-Y312 HydrophobicContact CG2-CE2 4.37Å; K274-Y312 HydrophobicContact CB-CD2 4.3Å; K274-Y312 HydrophobicContact CB-CE1 4.34Å; K274-Y312 HydrophobicContact CB-CE2 3.95Å; K274-Y312 HydrophobicContact CD-CD1 4.25Å; K274-Y312 HydrophobicContact CD-CE1 4.49Å; K274-Y312 HydrophobicContact CD-CG 4.44Å; K274-Y312 HydrophobicContact CG-CD1 4.26Å; K274-Y312 HydrophobicContact CG-CD2 4.06Å; K274-Y312 HydrophobicContact CG-CE1 4.43Å; K274-Y312 HydrophobicContact CG-CE2 4.22Å; K274-Y312 HydrophobicContact CG-CG 4.07Å; Y279-Y312 HydrophobicContact CD1-CD2 4.18Å; Y279-Y312 AromaticContact CD1-CE2 3.87Å; Y279-Y312 HydrophobicContact CD1-CE2 3.87Å; Y279-Y312 HydrophobicContact CE1-CD2 4.02Å; Y279-Y312 AromaticContact CE1-CE2 3.71Å; Y279-Y312 HydrophobicContact CE1-CE2 3.71Å; F288-Y312 WeakPolarHBondContact CE2-O 3.44Å; E305-Y312 HydrophobicContact CB-CE1 4.38Å; M306-Y312 CarbonylContact C-O 3.47Å; M306-Y312 VanDerWaalsContact CA-O 3.31Å; M306-Y312 WeakPolarHBondContact CA-O 3.24Å; D307-Y312 HydrophobicContact CB-CD1 4.34Å; D307-Y312 PolarHBondContact N-O 3.26Å; D307-Y312 PolarHBondContact O-N 3.13Å; T310-Y312 PolarHBondContact O-N 3.26Å; T310-Y312 WeakPolarHBondContact OG1-CB 3.29Å; Y312-A314 HydrophobicContact CE1-CB 4.08Å; Y312-A314 VanDerWaalsContact OH-CB 3.26Å; Y312-A314 WeakPolarHBondContact OH-CB 3.49Å
313L98.8Very high98.5Very high1 Ų138.5 Ų38.51%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-129.9121.3169.1-164.6149.3000107.3Y279 I282 L291 M306 P335 I336Y279-L313 WeakPolarHBondContact CE1-O 3.35Å; Y279-L313 PolarHBondContact OH-O 2.87Å; I282-L313 HydrophobicContact CG1-CB 4.47Å; L291-L313 HydrophobicContact CB-CD1 3.82Å; M306-L313 HydrophobicContact CG-CB 4.36Å; M306-L313 HydrophobicContact CG-CD1 3.96Å; M306-L313 HydrophobicContact CG-CG 3.78Å; M306-L313 HydrophobicContact SD-CD1 3.89Å; M306-L313 HydrophobicContact SD-CG 4.35Å; L313-P335 HydrophobicContact CB-CG 4.11Å; L313-P335 HydrophobicContact CD2-CG 3.63Å; L313-P335 HydrophobicContact CG-CG 4.44Å; L313-P335 WeakPolarHBondContact O-CG 3.06Å; L313-I336 HydrophobicContact CD2-CG1 3.95Å
314A98.8Very high98.5Very high0 Ų043.7 Ų43.70%024%0.241CC..  trans-64.2150.9-176.800000111.8E305 Y312 T316E305-A314 HydrophobicContact CB-CB 4.11Å; E305-A314 PolarHBondContact O-N 2.87Å; E305-A314 WeakPolarHBondContact OE2-CB 3.26Å; Y312-A314 HydrophobicContact CE1-CB 4.08Å; Y312-A314 VanDerWaalsContact OH-CB 3.26Å; Y312-A314 WeakPolarHBondContact OH-CB 3.49Å; A314-T316 PolarHBondContact O-N 3.21Å; A314-T316 PolarHBondContact O-OG1 2.96Å
315P98.9Very high98.5Very high0 Ų044 Ų440%024%0.241CC..  trans-48.1115.1166.8-29.238.3000110.5Y234 V265 Y269 I273 Y279 F302 G303Y234-P315 HydrophobicContact CD1-CB 3.68Å; Y234-P315 HydrophobicContact CD1-CG 4.17Å; Y234-P315 HydrophobicContact CD2-CB 4.19Å; Y234-P315 HydrophobicContact CE1-CB 3.51Å; Y234-P315 HydrophobicContact CE1-CG 4.47Å; Y234-P315 HydrophobicContact CE2-CB 4.03Å; Y234-P315 HydrophobicContact CG-CB 4.03Å; Y234-P315 HydrophobicContact CG-CG 4.32Å; V265-P315 HydrophobicContact CG1-CB 3.96Å; V265-P315 HydrophobicContact CG1-CG 3.94Å; V265-P315 HydrophobicContact CG2-CB 3.93Å; V265-P315 HydrophobicContact CG2-CG 4.47Å; Y269-P315 HydrophobicContact CD2-CG 4.48Å; I273-P315 HydrophobicContact CD1-CG 4.29Å; I273-P315 HydrophobicContact CG2-CG 4.2Å; Y279-P315 HydrophobicContact CD2-CG 4.43Å; Y279-P315 HydrophobicContact CE2-CG 3.69Å; Y279-P315 WeakPolarHBondContact OH-CD 3.49Å; F302-P315 WeakPolarHBondContact CD1-O 3.11Å; F302-P315 HydrophobicContact CE1-CB 4.21Å; F302-P315 VanDerWaalsContact CE1-O 3.31Å; F302-P315 WeakPolarHBondContact CE1-O 3.12Å; G303-P315 WeakPolarHBondContact CA-O 3.47Å
316T98.9Very high98.5Very high0 Ų045.7 Ų45.70%025%0.246CC..EExtended strand (participates in β ladder)trans-122.2131.8-169.1-59.60000110.7L295 I300 F302 G304 A314 L318 P335 I336 L337L295-T316 HydrophobicContact CD2-CG2 3.85Å; I300-T316 HydrophobicContact CG2-CG2 4.15Å; F302-T316 WeakPolarHBondContact O-CA 3.3Å; G304-T316 PolarHBondContact N-OG1 2.98Å; A314-T316 PolarHBondContact O-N 3.21Å; A314-T316 PolarHBondContact O-OG1 2.96Å; T316-L318 HydrophobicContact CG2-CD2 3.99Å; T316-P335 PolarHBondContact N-O 2.92Å; T316-I336 CarbonylContact O-C 3.57Å; T316-I336 WeakPolarHBondContact O-CA 3.24Å; T316-L337 PolarHBondContact O-N 2.84Å
317I98.9Very high98.5Very high0 Ų042.3 Ų42.30%023%0.23CC..EExtended strand (participates in β ladder)trans-116.5131.5176-51.4169.4000109Y234 V258 I261 A301 F302 L337 I339Y234-I317 WeakPolarHBondContact OH-CG1 3.39Å; V258-I317 HydrophobicContact CG2-CG2 3.93Å; I261-I317 HydrophobicContact CB-CD1 3.72Å; I261-I317 HydrophobicContact CG2-CD1 3.48Å; I261-I317 VanDerWaalsContact CG2-CD1 3.48Å; I261-I317 HydrophobicContact CG2-CG1 4.22Å; A301-I317 PolarHBondContact N-O 2.84Å; F302-I317 HydrophobicContact CB-CB 4.35Å; F302-I317 HydrophobicContact CB-CD1 4.13Å; F302-I317 HydrophobicContact CB-CG1 4.34Å; F302-I317 HydrophobicContact CD1-CD1 4Å; F302-I317 HydrophobicContact CD1-CG1 4.15Å; F302-I317 HydrophobicContact CG-CD1 4.45Å; F302-I317 PolarHBondContact N-O 2.56Å; F302-I317 PolarHBondContact O-N 3.43Å; I317-L337 WeakPolarHBondContact CA-O 3.37Å; I317-I339 HydrophobicContact CG2-CD1 3.78Å; I317-I339 HydrophobicContact CG2-CG1 4.16Å
318L98.9Very high98.5Very high0 Ų040.5 Ų40.50%022%0.22CC..EExtended strand (participates in β ladder)trans-111.1133.8175.8-49.4177.8000109.7L295 Q298 K299 I300 T316 V321 V327 I336 L337 I339L295-L318 HydrophobicContact CD2-CD1 4.42Å; L295-L318 HydrophobicContact CD2-CD2 3.97Å; Q298-L318 HydrophobicContact CB-CD1 3.9Å; Q298-L318 HydrophobicContact CB-CD2 3.92Å; Q298-L318 HydrophobicContact CB-CG 4.42Å; Q298-L318 HydrophobicContact CG-CD1 3.84Å; K299-L318 WeakPolarHBondContact O-CA 3.33Å; I300-L318 HydrophobicContact CB-CD2 4.39Å; I300-L318 HydrophobicContact CG1-CD2 3.79Å; T316-L318 HydrophobicContact CG2-CD2 3.99Å; L318-V321 HydrophobicContact CB-CG2 3.52Å; L318-V327 HydrophobicContact CD1-CG1 4.17Å; L318-V327 HydrophobicContact CD1-CG2 4.11Å; L318-I336 HydrophobicContact CD1-CG2 3.58Å; L318-I336 HydrophobicContact CG-CG2 3.87Å; L318-L337 PolarHBondContact N-O 2.99Å; L318-I339 PolarHBondContact O-N 3.14Å
319T98.8Very high98.5Very high7 Ų742.1 Ų42.14%0.04323%0.228CC..  trans-111.1159.9177.247.30000111.6Q254 V258 K299 A301 V321 I339Q254-T319 VanDerWaalsContact OE1-CB 3.25Å; V258-T319 HydrophobicContact CG2-CG2 3.57Å; K299-T319 PolarHBondContact O-N 2.81Å; K299-T319 VanDerWaalsContact O-N 3.16Å; A301-T319 HydrophobicContact CB-CG2 3.67Å; T319-V321 PolarHBondContact O-N 3.1Å; T319-I339 HydrophobicContact CG2-CD1 4.38Å
320D97.8Very high98.4Very high93 Ų9341.3 Ų41.350%0.49721%0.208SC..SBendtrans52.739.4177.8-52.6-47.3000112.8Q254 K299 D322Q254-D320 PolarHBondContact NE2-OD1 2.73Å; K299-D320 IonicContact NZ-OD2 3.31Å; K299-D320 PolarHBondContact NZ-OD2 2.68Å; D320-D322 PolarHBondContact O-N 3.28Å
321V98.7Very high98.4Very high7 Ų741 Ų414%0.04220%0.202CC..  trans-74.3127.1-171.2177.90000110.9L318 T319 P323 V327 M328 P338 I339 V340L318-V321 HydrophobicContact CB-CG2 3.52Å; T319-V321 PolarHBondContact O-N 3.1Å; V321-P323 WeakPolarHBondContact O-CD 3.43Å; V321-V327 HydrophobicContact CG1-CG1 3.76Å; V321-M328 HydrophobicContact CG1-CG 3.75Å; V321-P338 HydrophobicContact CB-CB 4.32Å; V321-P338 HydrophobicContact CG1-CB 4.2Å; V321-P338 HydrophobicContact CG2-CB 3.98Å; V321-I339 PolarHBondContact N-O 3.22Å; V321-V340 HydrophobicContact CB-CG2 4.22Å; V321-V340 HydrophobicContact CG1-CG2 4.47Å
322D98.3Very high98.4Very high86 Ų8637.4 Ų37.446%0.4619%0.189SC..  trans-67.7121.5170.1176.73.6000110.1D320 N324 S325D320-D322 PolarHBondContact O-N 3.28Å; D322-N324 PolarHBondContact O-N 3.39Å; D322-N324 WeakPolarHBondContact OD1-CB 3.41Å; D322-N324 PolarHBondContact OD1-N 2.96Å; D322-N324 PolarHBondContact OD1-ND2 3.25Å; D322-S325 WeakPolarHBondContact O-CB 3.31Å; D322-S325 PolarHBondContact O-N 3.37Å; D322-S325 PolarHBondContact O-OG 3.28Å
323P97.8Very high98.4Very high40 Ų4037.7 Ų37.726%0.2619%0.19SC..THydrogen-bonded Turntrans-55.2-21.9176.1-27.936.9000115.6V321 M328 Q329 V340 F351 R355V321-P323 WeakPolarHBondContact O-CD 3.43Å; P323-M328 WeakPolarHBondContact O-CB 3.44Å; P323-Q329 PolarHBondContact O-NE2 3.41Å; P323-V340 HydrophobicContact CG-CG1 3.95Å; P323-F351 HydrophobicContact CB-CE2 3.71Å; P323-F351 HydrophobicContact CB-CZ 4.05Å; P323-F351 HydrophobicContact CG-CE2 3.74Å; P323-F351 HydrophobicContact CG-CZ 4.35Å; P323-R355 PolarHBondContact O-NH2 3.45Å; P323-R355 VanDerWaalsContact O-NH2 3.15Å
324N97.7Very high98.4Very high124 Ų12437.7 Ų37.766%0.66319%0.19SC*.THydrogen-bonded Turntrans-89.1-10.5179.3-59.4-56.5000113.3D322D322-N324 PolarHBondContact O-N 3.39Å; D322-N324 WeakPolarHBondContact OD1-CB 3.41Å; D322-N324 PolarHBondContact OD1-N 2.96Å; D322-N324 PolarHBondContact OD1-ND2 3.25Å
325S98.1Very high98.4Very high23 Ų2337.7 Ų37.716%0.16119%0.19CC..SBendtrans-70.3155.8178.972.60000111.9Q298 D322 V327 M328 Q329Q298-S325 VanDerWaalsContact NE2-CB 3.29Å; Q298-S325 PolarHBondContact NE2-OG 3.24Å; D322-S325 WeakPolarHBondContact O-CB 3.31Å; D322-S325 PolarHBondContact O-N 3.37Å; D322-S325 PolarHBondContact O-OG 3.28Å; S325-V327 VanDerWaalsContact C-N 3.25Å; S325-V327 PolarHBondContact O-N 3.19Å; S325-V327 VanDerWaalsContact O-N 3.1Å; S325-M328 PolarHBondContact O-N 3.11Å; S325-Q329 WeakPolarHBondContact O-CG 3.32Å; S325-Q329 PolarHBondContact O-N 3.24Å
326K97.9Very high98.4Very high145 Ų14537.7 Ų37.763%0.6319%0.19SC*.G310 helixtrans-52-39.6-173.5-69-174.4177.1-1760114L294 M328 Q329L294-K326 HydrophobicContact CD2-CB 4.05Å; K326-M328 PolarHBondContact O-N 2.83Å; K326-M328 VanDerWaalsContact O-N 3.14Å; K326-Q329 PolarHBondContact O-N 2.92Å
327V98.6Very high98.4Very high0 Ų037.7 Ų37.70%019%0.19CC..G310 helixtrans-62.3-21.3-179.975.60000112.9K211 L294 L318 V321 S325 I332 I336 P338K211-V327 PolarHBondContact NZ-O 2.72Å; L294-V327 HydrophobicContact CB-CB 4.17Å; L294-V327 HydrophobicContact CB-CG2 4.11Å; L294-V327 HydrophobicContact CD1-CG2 4.4Å; L318-V327 HydrophobicContact CD1-CG1 4.17Å; L318-V327 HydrophobicContact CD1-CG2 4.11Å; V321-V327 HydrophobicContact CG1-CG1 3.76Å; S325-V327 VanDerWaalsContact C-N 3.25Å; S325-V327 PolarHBondContact O-N 3.19Å; S325-V327 VanDerWaalsContact O-N 3.1Å; V327-I332 HydrophobicContact CG2-CD1 3.85Å; V327-I332 HydrophobicContact CG2-CG1 4.12Å; V327-I336 HydrophobicContact CG2-CG2 4.13Å; V327-P338 HydrophobicContact CG1-CG 4.1Å; V327-P338 HydrophobicContact CG2-CG 3.65Å
328M98.8Very high98.4Very high0 Ų037.7 Ų37.70%019%0.19CC..G310 helixtrans-100.60.1176.3-72.3-54.1-61.800114.2K211 Y246 V321 P323 S325 K326 P338 V340 F351 R355K211-M328 WeakPolarHBondContact CE-O 3.32Å; Y246-M328 HydrophobicContact CD1-CE 3.91Å; Y246-M328 HydrophobicContact CD2-CE 3.68Å; Y246-M328 HydrophobicContact CD2-SD 4.49Å; Y246-M328 HydrophobicContact CE1-CE 4.19Å; Y246-M328 HydrophobicContact CE2-CE 3.94Å; Y246-M328 HydrophobicContact CG-CE 3.64Å; Y246-M328 HydrophobicContact CG-SD 4.08Å; V321-M328 HydrophobicContact CG1-CG 3.75Å; P323-M328 WeakPolarHBondContact O-CB 3.44Å; S325-M328 PolarHBondContact O-N 3.11Å; K326-M328 PolarHBondContact O-N 2.83Å; K326-M328 VanDerWaalsContact O-N 3.14Å; M328-P338 HydrophobicContact SD-CB 3.92Å; M328-P338 HydrophobicContact SD-CG 4.16Å; M328-V340 HydrophobicContact CE-CG2 4.02Å; M328-V340 HydrophobicContact CG-CG2 4.21Å; M328-V340 HydrophobicContact SD-CG2 4.01Å; M328-F351 HydrophobicContact CE-CE1 4.03Å; M328-F351 HydrophobicContact CE-CZ 3.87Å; M328-R355 PolarHBondContact O-NH1 3.2Å
329Q98.1Very high98.4Very high115 Ų11537.7 Ų37.754%0.53719%0.19SC..THydrogen-bonded Turntrans-105.1-15.9-177.4-63.9-60.6-53.100113.9P323 S325 K326P323-Q329 PolarHBondContact O-NE2 3.41Å; S325-Q329 WeakPolarHBondContact O-CG 3.32Å; S325-Q329 PolarHBondContact O-N 3.24Å; K326-Q329 PolarHBondContact O-N 2.92Å
330E96.8Very high98.4Very high78 Ų7837.5 Ų37.536%0.36419%0.189SC..SBendtrans-130.4160173.961.3178.1-122.400111.3K211 R290 L294 I332K211-E330 WeakPolarHBondContact CD-O 3.47Å; K211-E330 PolarHBondContact NZ-O 2.93Å; R290-E330 VanDerWaalsContact CD-OE1 3.27Å; R290-E330 WeakPolarHBondContact CD-OE1 3.32Å; R290-E330 WeakPolarHBondContact CG-OE1 3.25Å; R290-E330 IonicContact CZ-OE1 3.89Å; R290-E330 IonicContact NE-OE1 2.56Å; R290-E330 IonicContact NH1-OE1 2.84Å; R290-E330 PolarHBondContact NH1-OE1 2.83Å; L294-E330 HydrophobicContact CD2-CG 4.07Å; E330-I332 PolarHBondContact O-N 2.87Å
331E98.6Very high98.5Very high49 Ų4935.4 Ų35.423%0.22918%0.182CC..  trans-61.5128.9170-177.6177.2-167.900110G210 R290 F333G210-E331 PolarHBondContact N-OE2 3.33Å; R290-E331 PolarHBondContact NH1-O 3.19Å; E331-F333 HydrophobicContact CG-CB 4.38Å; E331-F333 HydrophobicContact CG-CD2 4.31Å; E331-F333 WeakPolarHBondContact OE1-CD2 3.46Å
332I98.8Very high98.5Very high0 Ų035.5 Ų35.50%018%0.182CC..  trans-72.7-49.8-172.6-62175.5000109.6D245 R290 L291 L294 V327 E330 G334 I336 P338D245-I332 WeakPolarHBondContact O-CD1 3.47Å; D245-I332 WeakPolarHBondContact OD2-CB 3.39Å; D245-I332 WeakPolarHBondContact OD2-CG1 3.4Å; D245-I332 PolarHBondContact OD2-N 3.19Å; R290-I332 PolarHBondContact NH1-O 3.46Å; R290-I332 PolarHBondContact NH2-O 3.33Å; L291-I332 HydrophobicContact CD2-CG2 3.99Å; L291-I332 WeakPolarHBondContact CD2-O 3.22Å; L294-I332 HydrophobicContact CD1-CG2 4.48Å; V327-I332 HydrophobicContact CG2-CD1 3.85Å; V327-I332 HydrophobicContact CG2-CG1 4.12Å; E330-I332 PolarHBondContact O-N 2.87Å; I332-G334 VanDerWaalsContact C-N 3.26Å; I332-G334 PolarHBondContact O-N 2.81Å; I332-I336 WeakPolarHBondContact CD1-O 2.95Å; I332-I336 HydrophobicContact CG2-CB 3.91Å; I332-P338 HydrophobicContact CD1-CG 3.5Å
333F98.8Very high98.5Very high24 Ų2438.6 Ų38.611%0.10519%0.192CC..  trans48.348.8179.9-139.6-103.6000112.9W111 N112 G238 Q239 E331W111-F333 AromaticContact CH2-CD1 3.52Å; W111-F333 HydrophobicContact CH2-CD1 3.52Å; W111-F333 AromaticContact CH2-CE1 3.28Å; W111-F333 HydrophobicContact CH2-CE1 3.28Å; W111-F333 AromaticContact CZ2-CD1 3.69Å; W111-F333 HydrophobicContact CZ2-CD1 3.69Å; W111-F333 AromaticContact CZ2-CE1 3.39Å; W111-F333 HydrophobicContact CZ2-CE1 3.39Å; W111-F333 HydrophobicContact CZ3-CE1 4.01Å; N112-F333 HydrophobicContact CB-CE1 3.95Å; N112-F333 HydrophobicContact CB-CZ 3.98Å; N112-F333 WeakPolarHBondContact ND2-CZ 3.38Å; G238-F333 CarbonylContact O-C 3.59Å; G238-F333 WeakPolarHBondContact O-CA 3.38Å; Q239-F333 VanDerWaalsContact C-CZ 3.48Å; Q239-F333 HydrophobicContact CB-CD1 3.82Å; Q239-F333 HydrophobicContact CB-CE1 3.73Å; Q239-F333 HydrophobicContact CG-CD1 4.2Å; E331-F333 HydrophobicContact CG-CB 4.38Å; E331-F333 HydrophobicContact CG-CD2 4.31Å; E331-F333 WeakPolarHBondContact OE1-CD2 3.46Å
334G98.8Very high98.5Very high0 Ų039.5 Ų39.50%019%0.194CC..SBendtrans-175.7172.5-171.500000111.8K233 C237 G238 I332 I336K233-G334 WeakPolarHBondContact CE-O 3.34Å; K233-G334 PolarHBondContact NZ-O 2.94Å; C237-G334 CarbonylContact O-C 3.36Å; C237-G334 WeakPolarHBondContact O-CA 3.37Å; G238-G334 PolarHBondContact O-N 2.84Å; G238-G334 VanDerWaalsContact O-N 3.15Å; I332-G334 VanDerWaalsContact C-N 3.26Å; I332-G334 PolarHBondContact O-N 2.81Å; G334-I336 PolarHBondContact O-N 2.8Å
335P98.8Very high98.5Very high0 Ų034.4 Ų34.40%017%0.168CC..SBendtrans-8844.9-167.533-29.9000111.9Y234 C237 Y279 I282 L313 T316Y234-P335 HydrophobicContact CD1-CB 3.86Å; Y234-P335 HydrophobicContact CE1-CB 4.25Å; C237-P335 HydrophobicContact CB-CB 4.47Å; C237-P335 HydrophobicContact CB-CG 4.19Å; C237-P335 WeakPolarHBondContact O-CD 3.19Å; Y279-P335 WeakPolarHBondContact OH-CB 3.27Å; Y279-P335 WeakPolarHBondContact OH-CG 3.27Å; I282-P335 HydrophobicContact CD1-CG 4.48Å; L313-P335 HydrophobicContact CB-CG 4.11Å; L313-P335 HydrophobicContact CD2-CG 3.63Å; L313-P335 HydrophobicContact CG-CG 4.44Å; L313-P335 WeakPolarHBondContact O-CG 3.06Å; T316-P335 PolarHBondContact N-O 2.92Å
336I98.9Very high98.6Very high0 Ų036.4 Ų36.40%018%0.177CC..EExtended strand (participates in β ladder)trans-116.4120.3177.5-54.4169.5000107.9K233 L291 L294 L295 L313 T316 L318 V327 I332 G334 P338K233-I336 WeakPolarHBondContact CE-O 3.37Å; K233-I336 PolarHBondContact NZ-O 3.14Å; L291-I336 HydrophobicContact CB-CD1 4.23Å; L291-I336 HydrophobicContact CD2-CD1 4.08Å; L294-I336 HydrophobicContact CB-CD1 4.33Å; L295-I336 HydrophobicContact CD1-CD1 4.46Å; L295-I336 HydrophobicContact CD2-CD1 3.7Å; L295-I336 HydrophobicContact CD2-CG1 4Å; L295-I336 HydrophobicContact CD2-CG2 3.91Å; L295-I336 HydrophobicContact CG-CD1 3.88Å; L313-I336 HydrophobicContact CD2-CG1 3.95Å; T316-I336 CarbonylContact O-C 3.57Å; T316-I336 WeakPolarHBondContact O-CA 3.24Å; L318-I336 HydrophobicContact CD1-CG2 3.58Å; L318-I336 HydrophobicContact CG-CG2 3.87Å; V327-I336 HydrophobicContact CG2-CG2 4.13Å; I332-I336 WeakPolarHBondContact CD1-O 2.95Å; I332-I336 HydrophobicContact CG2-CB 3.91Å; G334-I336 PolarHBondContact O-N 2.8Å; I336-P338 WeakPolarHBondContact O-CD 3.38Å
337L98.9Very high98.6Very high0 Ų032.5 Ų32.50%016%0.161CC..EExtended strand (participates in β ladder)trans-115.297.3-177.5-172.861000110.8V229 K233 I247 I261 T316 I317 L318V229-L337 HydrophobicContact CG1-CD2 4.05Å; K233-L337 HydrophobicContact CD-CB 4.39Å; K233-L337 HydrophobicContact CD-CD1 4.01Å; K233-L337 HydrophobicContact CG-CB 4.17Å; K233-L337 HydrophobicContact CG-CD1 4.22Å; K233-L337 HydrophobicContact CG-CD2 4.3Å; K233-L337 HydrophobicContact CG-CG 4.48Å; I247-L337 HydrophobicContact CD1-CD1 4.47Å; I247-L337 HydrophobicContact CD1-CD2 3.84Å; I247-L337 HydrophobicContact CD1-CG 4.21Å; I247-L337 HydrophobicContact CG1-CD1 4.19Å; I247-L337 HydrophobicContact CG1-CD2 4.44Å; I247-L337 HydrophobicContact CG1-CG 4.4Å; I261-L337 HydrophobicContact CD1-CD2 3.74Å; T316-L337 PolarHBondContact O-N 2.84Å; I317-L337 WeakPolarHBondContact CA-O 3.37Å; L318-L337 PolarHBondContact N-O 2.99Å
338P98.9Very high98.6Very high0 Ų032.6 Ų32.60%016%0.161CC..EExtended strand (participates in β ladder)trans-69.9140.4172.4-19.534.3000111.9D245 Y246 I247 V321 V327 M328 I332 I336D245-P338 WeakPolarHBondContact O-CD 3.42Å; Y246-P338 WeakPolarHBondContact CA-O 3.41Å; I247-P338 PolarHBondContact N-O 3.46Å; V321-P338 HydrophobicContact CB-CB 4.32Å; V321-P338 HydrophobicContact CG1-CB 4.2Å; V321-P338 HydrophobicContact CG2-CB 3.98Å; V327-P338 HydrophobicContact CG1-CG 4.1Å; V327-P338 HydrophobicContact CG2-CG 3.65Å; M328-P338 HydrophobicContact SD-CB 3.92Å; M328-P338 HydrophobicContact SD-CG 4.16Å; I332-P338 HydrophobicContact CD1-CG 3.5Å; I336-P338 WeakPolarHBondContact O-CD 3.38Å
339I98.9Very high98.6Very high0 Ų032.7 Ų32.70%016%0.162CC..EExtended strand (participates in β ladder)trans-111.8118.2167.3-51.1178000108.5I247 Q254 I257 V258 I317 L318 T319 V321I247-I339 HydrophobicContact CB-CG1 4.27Å; I247-I339 HydrophobicContact CB-CG2 4.32Å; I247-I339 HydrophobicContact CD1-CG1 4.39Å; I247-I339 HydrophobicContact CG2-CG2 4.11Å; Q254-I339 HydrophobicContact CG-CG2 3.86Å; I257-I339 HydrophobicContact CB-CD1 4.42Å; I257-I339 HydrophobicContact CG2-CD1 3.84Å; V258-I339 HydrophobicContact CG2-CD1 4.05Å; I317-I339 HydrophobicContact CG2-CD1 3.78Å; I317-I339 HydrophobicContact CG2-CG1 4.16Å; L318-I339 PolarHBondContact O-N 3.14Å; T319-I339 HydrophobicContact CG2-CD1 4.38Å; V321-I339 PolarHBondContact N-O 3.22Å
340V98.9Very high98.7Very high4 Ų431.6 Ų31.62%0.02416%0.16CC..EExtended strand (participates in β ladder)trans-107.2123.8176177.30000108.2I247 L248 C249 V321 P323 M328 F351I247-V340 PolarHBondContact O-N 3.49Å; L248-V340 WeakPolarHBondContact CA-O 3.48Å; L248-V340 HydrophobicContact CD2-CB 3.91Å; L248-V340 HydrophobicContact CD2-CG1 4.01Å; C249-V340 PolarHBondContact N-O 3.44Å; V321-V340 HydrophobicContact CB-CG2 4.22Å; V321-V340 HydrophobicContact CG1-CG2 4.47Å; P323-V340 HydrophobicContact CG-CG1 3.95Å; M328-V340 HydrophobicContact CE-CG2 4.02Å; M328-V340 HydrophobicContact CG-CG2 4.21Å; M328-V340 HydrophobicContact SD-CG2 4.01Å; V340-F351 HydrophobicContact CG1-CE2 4.02Å; V340-F351 HydrophobicContact CG1-CZ 4.19Å
341S98.6Very high98.8Very high49 Ų4929.3 Ų29.334%0.34315%0.149SC..EExtended strand (participates in β ladder)trans-78.2133.9179.4-70.40000111.6C249 A251 Q254C249-S341 CarbonylContact O-C 3.51Å; C249-S341 VanDerWaalsContact O-CA 3.29Å; C249-S341 WeakPolarHBondContact O-CA 3.47Å; A251-S341 WeakPolarHBondContact CA-OG 3.33Å; A251-S341 WeakPolarHBondContact CB-OG 3.5Å; Q254-S341 PolarHBondContact NE2-OG 3.41Å
342V98.7Very high98.8Very high9 Ų927.3 Ų27.36%0.05514%0.139CC..  trans-129.6148.7171.4-690000108.8Y215 L248 C249 E250 E347 A348Y215-V342 HydrophobicContact CE2-CG2 4.11Å; L248-V342 HydrophobicContact CB-CG2 4.15Å; L248-V342 HydrophobicContact CD2-CG1 3.78Å; C249-V342 PolarHBondContact O-N 3.12Å; E250-V342 VanDerWaalsContact CA-O 3.31Å; E250-V342 WeakPolarHBondContact CA-O 3.2Å; V342-E347 HydrophobicContact CB-CB 4.07Å; V342-E347 HydrophobicContact CG1-CB 4.38Å; V342-A348 HydrophobicContact CG2-CB 4.12Å
343K98.1Very high98.8Very high150 Ų15031 Ų3165%0.65216%0.159SC*.SBendtrans-75.8-27.4-176.2-64.5-178.4-153.4127.60113.7E347K343-E347 WeakPolarHBondContact CB-OE2 3.42Å; K343-E347 VanDerWaalsContact CD-OE1 3.24Å; K343-E347 WeakPolarHBondContact CD-OE1 3.36Å; K343-E347 WeakPolarHBondContact CE-OE1 3.28Å; K343-E347 WeakPolarHBondContact CG-OE2 3.47Å; K343-E347 PolarHBondContact N-OE2 2.88Å; K343-E347 IonicContact NZ-OE1 2.62Å; K343-E347 PolarHBondContact NZ-OE1 3.49Å
344N98.2Very high98.8Very high59 Ų5936.5 Ų36.532%0.31619%0.19SC..SBendtrans-166.2-179.2-175.555.643.5000110.5D346 E347 A348N344-D346 VanDerWaalsContact C-N 3.28Å; N344-D346 PolarHBondContact O-N 3.4Å; N344-D346 WeakPolarHBondContact OD1-CA 3.43Å; N344-D346 WeakPolarHBondContact OD1-CB 3.37Å; N344-D346 PolarHBondContact OD1-N 2.93Å; N344-E347 PolarHBondContact O-N 3.35Å; N344-E347 PolarHBondContact OD1-N 3.42Å; N344-A348 PolarHBondContact O-N 2.86Å; N344-A348 VanDerWaalsContact O-N 3.16Å
345V98.7Very high98.8Very high17 Ų1739.7 Ų39.710%0.10320%0.202CC..Hα-helixtrans-64.3-29.5178.3700000113.2Y215 A348 I349 L370 V374Y215-V345 HydrophobicContact CE1-CB 4.39Å; Y215-V345 HydrophobicContact CE1-CG2 4.24Å; Y215-V345 PolarHBondContact OH-N 3.44Å; V345-A348 WeakPolarHBondContact O-CB 3.31Å; V345-A348 PolarHBondContact O-N 3.05Å; V345-I349 HydrophobicContact CG2-CD1 3.93Å; V345-I349 HydrophobicContact CG2-CG1 4.28Å; V345-I349 WeakPolarHBondContact O-CB 3.45Å; V345-I349 VanDerWaalsContact O-CG1 3.31Å; V345-I349 WeakPolarHBondContact O-CG1 3.26Å; V345-I349 PolarHBondContact O-N 3.44Å; V345-L370 HydrophobicContact CB-CD1 4.15Å; V345-L370 HydrophobicContact CB-CG 4.37Å; V345-L370 HydrophobicContact CG1-CD1 4.38Å; V345-L370 HydrophobicContact CG2-CD1 4.29Å; V345-L370 HydrophobicContact CG2-CD2 4.04Å; V345-L370 HydrophobicContact CG2-CG 3.99Å; V345-V374 HydrophobicContact CG2-CG2 3.5Å; V345-V374 VanDerWaalsContact CG2-CG2 3.5Å
346D98.8Very high98.8Very high66 Ų6646.6 Ų46.635%0.35323%0.234SC..Hα-helixtrans-66.1-46.2178.6-56.1-36.6000110.6N344 A348 I349 N350 R373N344-D346 VanDerWaalsContact C-N 3.28Å; N344-D346 PolarHBondContact O-N 3.4Å; N344-D346 WeakPolarHBondContact OD1-CA 3.43Å; N344-D346 WeakPolarHBondContact OD1-CB 3.37Å; N344-D346 PolarHBondContact OD1-N 2.93Å; D346-A348 VanDerWaalsContact C-N 3.28Å; D346-A348 PolarHBondContact O-N 2.89Å; D346-I349 PolarHBondContact O-N 2.92Å; D346-N350 VanDerWaalsContact O-CG 3.29Å; D346-N350 PolarHBondContact O-N 3.26Å; D346-N350 PolarHBondContact O-ND2 2.94Å; D346-R373 IonicContact OD1-CZ 3.14Å; D346-R373 IonicContact OD1-NH1 3.57Å; D346-R373 PolarHBondContact OD1-NH1 2.96Å; D346-R373 IonicContact OD1-NH2 2.81Å; D346-R373 PolarHBondContact OD1-NH2 2.91Å
347E98.8Very high98.7Very high63 Ų6350.8 Ų50.829%0.29425%0.252SS..Hα-helixtrans-62.6-36.7174-73.6-171.5-177.200111.4V342 K343 N344 F351V342-E347 HydrophobicContact CB-CB 4.07Å; V342-E347 HydrophobicContact CG1-CB 4.38Å; K343-E347 WeakPolarHBondContact CB-OE2 3.42Å; K343-E347 VanDerWaalsContact CD-OE1 3.24Å; K343-E347 WeakPolarHBondContact CD-OE1 3.36Å; K343-E347 WeakPolarHBondContact CE-OE1 3.28Å; K343-E347 WeakPolarHBondContact CG-OE2 3.47Å; K343-E347 PolarHBondContact N-OE2 2.88Å; K343-E347 IonicContact NZ-OE1 2.62Å; K343-E347 PolarHBondContact NZ-OE1 3.49Å; N344-E347 PolarHBondContact O-N 3.35Å; N344-E347 PolarHBondContact OD1-N 3.42Å; E347-F351 VanDerWaalsContact O-CB 3.25Å; E347-F351 WeakPolarHBondContact O-CB 3.4Å; E347-F351 PolarHBondContact O-N 3.49Å
348A98.9Very high98.7Very high1 Ų151 Ų511%0.00825%0.253CS..Hα-helixtrans-64.9-46175.600000112.8Y215 L248 V342 N344 V345 D346 F351 I352Y215-A348 HydrophobicContact CD2-CB 3.36Å; Y215-A348 HydrophobicContact CE2-CB 3.49Å; Y215-A348 VanDerWaalsContact CE2-CB 3.49Å; Y215-A348 HydrophobicContact CG-CB 4.3Å; L248-A348 HydrophobicContact CD1-CB 4.26Å; V342-A348 HydrophobicContact CG2-CB 4.12Å; N344-A348 PolarHBondContact O-N 2.86Å; N344-A348 VanDerWaalsContact O-N 3.16Å; V345-A348 WeakPolarHBondContact O-CB 3.31Å; V345-A348 PolarHBondContact O-N 3.05Å; D346-A348 VanDerWaalsContact C-N 3.28Å; D346-A348 PolarHBondContact O-N 2.89Å; A348-F351 WeakPolarHBondContact O-CB 3.41Å; A348-F351 PolarHBondContact O-N 2.93Å; A348-I352 WeakPolarHBondContact O-CD1 3.48Å; A348-I352 VanDerWaalsContact O-CG1 3.25Å; A348-I352 WeakPolarHBondContact O-CG1 3.47Å; A348-I352 PolarHBondContact O-N 2.94Å
349I98.9Very high98.7Very high3 Ų351.2 Ų51.22%0.01525%0.254CS..Hα-helixtrans-61.2-47.2178-73.4166.5000110.1V345 D346 F351 I352 N353 R373 V374 E377 T378V345-I349 HydrophobicContact CG2-CD1 3.93Å; V345-I349 HydrophobicContact CG2-CG1 4.28Å; V345-I349 WeakPolarHBondContact O-CB 3.45Å; V345-I349 VanDerWaalsContact O-CG1 3.31Å; V345-I349 WeakPolarHBondContact O-CG1 3.26Å; V345-I349 PolarHBondContact O-N 3.44Å; D346-I349 PolarHBondContact O-N 2.92Å; I349-F351 PolarHBondContact O-N 2.81Å; I349-I352 PolarHBondContact O-N 2.92Å; I349-N353 WeakPolarHBondContact O-CB 3.41Å; I349-N353 PolarHBondContact O-N 3.17Å; I349-N353 PolarHBondContact O-ND2 3.07Å; I349-R373 HydrophobicContact CD1-CG 4.42Å; I349-V374 HydrophobicContact CD1-CG2 4.26Å; I349-V374 HydrophobicContact CG1-CG2 4.27Å; I349-E377 HydrophobicContact CD1-CB 4.15Å; I349-E377 HydrophobicContact CG2-CB 3.84Å; I349-T378 HydrophobicContact CB-CG2 4.46Å; I349-T378 HydrophobicContact CG1-CG2 4.28Å; I349-T378 HydrophobicContact CG2-CG2 4.11Å
350N98.9Very high98.7Very high92 Ų9251.2 Ų51.249%0.49225%0.254SS..Hα-helixtrans-61-45.2176.7-68.7-26000111.5D346 I352 N353 D354D346-N350 VanDerWaalsContact O-CG 3.29Å; D346-N350 PolarHBondContact O-N 3.26Å; D346-N350 PolarHBondContact O-ND2 2.94Å; N350-I352 VanDerWaalsContact C-N 3.26Å; N350-I352 PolarHBondContact O-N 3.07Å; N350-N353 PolarHBondContact O-N 3.23Å; N350-N353 VanDerWaalsContact O-N 3.15Å; N350-D354 WeakPolarHBondContact O-CB 3.33Å; N350-D354 VanDerWaalsContact O-CG 3.28Å; N350-D354 PolarHBondContact O-N 3.17Å
351F98.9Very high98.7Very high30 Ų3051 Ų5113%0.13225%0.254CS..Hα-helixtrans-57.6-39.6177.7-172.5-82.7000113Y246 L248 P323 M328 V340 E347 A348 I349 R355Y246-F351 HydrophobicContact CD2-CE1 4.47Å; Y246-F351 HydrophobicContact CE2-CD1 4.06Å; Y246-F351 AromaticContact CE2-CE1 3.53Å; Y246-F351 HydrophobicContact CE2-CE1 3.53Å; Y246-F351 HydrophobicContact CE2-CZ 4.5Å; Y246-F351 AromaticContact CZ-CE1 3.82Å; L248-F351 HydrophobicContact CD1-CD1 3.94Å; L248-F351 HydrophobicContact CD1-CG 4.47Å; L248-F351 HydrophobicContact CD2-CD1 3.8Å; L248-F351 HydrophobicContact CD2-CE1 4.01Å; L248-F351 HydrophobicContact CD2-CG 4.07Å; L248-F351 HydrophobicContact CD2-CZ 4.43Å; L248-F351 HydrophobicContact CG-CD1 4.45Å; P323-F351 HydrophobicContact CB-CE2 3.71Å; P323-F351 HydrophobicContact CB-CZ 4.05Å; P323-F351 HydrophobicContact CG-CE2 3.74Å; P323-F351 HydrophobicContact CG-CZ 4.35Å; M328-F351 HydrophobicContact CE-CE1 4.03Å; M328-F351 HydrophobicContact CE-CZ 3.87Å; V340-F351 HydrophobicContact CG1-CE2 4.02Å; V340-F351 HydrophobicContact CG1-CZ 4.19Å; E347-F351 VanDerWaalsContact O-CB 3.25Å; E347-F351 WeakPolarHBondContact O-CB 3.4Å; E347-F351 PolarHBondContact O-N 3.49Å; A348-F351 WeakPolarHBondContact O-CB 3.41Å; A348-F351 PolarHBondContact O-N 2.93Å; I349-F351 PolarHBondContact O-N 2.81Å; F351-R355 WeakPolarHBondContact O-CD 3.36Å
352I98.9Very high98.8Very high7 Ų748.8 Ų48.84%0.03624%0.237CC..Hα-helixtrans-69.8-45.1177.7-68.3165.4000110.2P213 L248 A348 I349 N350 D354 R355 L361 T378P213-I352 HydrophobicContact CB-CD1 4.01Å; P213-I352 HydrophobicContact CB-CG1 3.95Å; P213-I352 HydrophobicContact CG-CD1 3.95Å; P213-I352 HydrophobicContact CG-CG1 3.95Å; P213-I352 HydrophobicContact CG-CG2 4.34Å; L248-I352 HydrophobicContact CD1-CD1 4.09Å; L248-I352 HydrophobicContact CD1-CG1 3.9Å; A348-I352 WeakPolarHBondContact O-CD1 3.48Å; A348-I352 VanDerWaalsContact O-CG1 3.25Å; A348-I352 WeakPolarHBondContact O-CG1 3.47Å; A348-I352 PolarHBondContact O-N 2.94Å; I349-I352 PolarHBondContact O-N 2.92Å; N350-I352 VanDerWaalsContact C-N 3.26Å; N350-I352 PolarHBondContact O-N 3.07Å; I352-D354 VanDerWaalsContact C-N 3.34Å; I352-D354 PolarHBondContact O-N 3.39Å; I352-R355 PolarHBondContact O-N 2.88Å; I352-L361 HydrophobicContact CD1-CD1 4.05Å; I352-L361 HydrophobicContact CG2-CD1 4.15Å; I352-T378 HydrophobicContact CB-CG2 4.35Å; I352-T378 HydrophobicContact CG2-CG2 4.02Å
353N98.9Very high98.8Very high77 Ų7748.3 Ų48.341%0.41224%0.235SC..Hα-helixtrans-71.4-25.3-176.5-73.5-22.1000114I349 N350 R355 E377I349-N353 WeakPolarHBondContact O-CB 3.41Å; I349-N353 PolarHBondContact O-N 3.17Å; I349-N353 PolarHBondContact O-ND2 3.07Å; N350-N353 PolarHBondContact O-N 3.23Å; N350-N353 VanDerWaalsContact O-N 3.15Å; N353-R355 PolarHBondContact O-N 3.18Å; N353-E377 PolarHBondContact ND2-O 3.15Å; N353-E377 PolarHBondContact OD1-O 2.91Å
354D98.6Very high98.8Very high140 Ų14041.4 Ų41.475%0.74921%0.205SC*.THydrogen-bonded Turntrans-74.21.4175.1-72.5-19.8000113.2N350 I352N350-D354 WeakPolarHBondContact O-CB 3.33Å; N350-D354 VanDerWaalsContact O-CG 3.28Å; N350-D354 PolarHBondContact O-N 3.17Å; I352-D354 VanDerWaalsContact C-N 3.34Å; I352-D354 PolarHBondContact O-N 3.39Å
355R98.7Very high98.8Very high67 Ų6738.6 Ų38.625%0.25319%0.19SC..SBendtrans-124.5166.9-177.2-65.9173.5176.3-90.31.1111P323 M328 F351 I352 N353P323-R355 PolarHBondContact O-NH2 3.45Å; P323-R355 VanDerWaalsContact O-NH2 3.15Å; M328-R355 PolarHBondContact O-NH1 3.2Å; F351-R355 WeakPolarHBondContact O-CD 3.36Å; I352-R355 PolarHBondContact O-N 2.88Å; N353-R355 PolarHBondContact O-N 3.18Å
356E98.7Very high98.8Very high144 Ų14445.3 Ų45.367%0.67321%0.213SC*.PPolyproline II helixtrans-59.5140.6174.1-71-61.8161.800111.7A404E356-A404 HydrophobicContact CB-CB 3.97Å; E356-A404 HydrophobicContact CG-CB 4.04Å; E356-A404 VanDerWaalsContact OE2-CB 3.3Å; E356-A404 WeakPolarHBondContact OE2-CB 3.47Å
357K98.9Very high98.8Very high89 Ų8945.3 Ų45.339%0.38721%0.213SC..PPolyproline II helixtrans-61.4121.3-177.7-65.2-178.8178.7-161.40111.1S379 V402 S405K357-S379 WeakPolarHBondContact CD-OG 3.26Å; K357-S379 WeakPolarHBondContact CE-OG 3.25Å; K357-S379 PolarHBondContact NZ-OG 2.81Å; K357-V402 HydrophobicContact CB-CG1 4.11Å; K357-V402 WeakPolarHBondContact CB-O 3.33Å; K357-V402 HydrophobicContact CD-CG1 4Å; K357-V402 HydrophobicContact CD-CG2 4.19Å; K357-S405 VanDerWaalsContact O-CB 3.25Å; K357-S405 WeakPolarHBondContact O-CB 3.32Å; K357-S405 PolarHBondContact O-OG 2.97Å
358P98.9Very high98.8Very high4 Ų447.9 Ų47.93%0.02623%0.229CC..PPolyproline II helixtrans-80.8162.5-175.233.9-36.7000112.3P213 A360 S380 G381 S405P213-P358 HydrophobicContact CG-CG 4.26Å; P358-A360 WeakPolarHBondContact CB-O 3.3Å; P358-S380 VanDerWaalsContact O-CA 3.28Å; P358-S380 WeakPolarHBondContact O-CA 3.38Å; P358-S380 WeakPolarHBondContact O-CB 3.5Å; P358-G381 PolarHBondContact O-N 3.11Å; P358-S405 PolarHBondContact O-OG 3.31Å
359L98.8Very high98.8Very high4 Ų456.2 Ų56.22%0.02127%0.265CS..SBendtrans-67.2-41.7174.4-17760.6000111.5C241 I242 G381 G382 F399C241-L359 HydrophobicContact CB-CD2 3.58Å; I242-L359 HydrophobicContact CG2-CD2 3.51Å; I242-L359 HydrophobicContact CG2-CG 3.76Å; L359-G381 CarbonylContact O-C 3.53Å; L359-G381 WeakPolarHBondContact O-CA 3.45Å; L359-G381 PolarHBondContact O-N 2.84Å; L359-G382 PolarHBondContact O-N 3.03Å; L359-F399 HydrophobicContact CD2-CZ 3.99Å
360A98.9Very high98.8Very high0 Ų056.9 Ų56.90%027%0.269CS..EExtended strand (participates in β ladder)trans-128.4154.6176.700000111.7S212 P213 I242 P358 Y362 G382S212-A360 VanDerWaalsContact CA-O 3.23Å; S212-A360 WeakPolarHBondContact CA-O 3.44Å; S212-A360 WeakPolarHBondContact CB-O 3.35Å; S212-A360 PolarHBondContact OG-N 2.95Å; S212-A360 PolarHBondContact OG-O 3.48Å; P213-A360 WeakPolarHBondContact CD-O 3.29Å; I242-A360 HydrophobicContact CB-CB 4.13Å; I242-A360 HydrophobicContact CG2-CB 3.96Å; P358-A360 WeakPolarHBondContact CB-O 3.3Å; A360-Y362 HydrophobicContact CB-CE1 4.23Å; A360-Y362 HydrophobicContact CB-CE2 4.04Å; A360-G382 CarbonylContact C-O 3.59Å; A360-G382 WeakPolarHBondContact CA-O 3.43Å
361L98.9Very high98.8Very high1 Ų153.3 Ų53.31%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-133.9136.7170.3174.6151.5000109.4P213 I352 V363 V374 T378 G382 V383 T384P213-L361 HydrophobicContact CG-CB 4.21Å; P213-L361 HydrophobicContact CG-CD1 4.03Å; P213-L361 HydrophobicContact CG-CG 3.99Å; I352-L361 HydrophobicContact CD1-CD1 4.05Å; I352-L361 HydrophobicContact CG2-CD1 4.15Å; L361-V363 HydrophobicContact CD2-CG2 3.46Å; L361-V363 VanDerWaalsContact CD2-CG2 3.46Å; L361-V374 HydrophobicContact CD1-CG1 4.34Å; L361-V374 HydrophobicContact CD2-CG1 3.95Å; L361-T378 HydrophobicContact CD1-CG2 4.41Å; L361-T378 WeakPolarHBondContact CD1-OG1 3.49Å; L361-G382 PolarHBondContact N-O 2.81Å; L361-V383 HydrophobicContact CB-CG2 4.31Å; L361-V383 HydrophobicContact CD2-CG1 3.93Å; L361-V383 HydrophobicContact CD2-CG2 4.12Å; L361-V383 VanDerWaalsContact O-CA 3.31Å; L361-V383 WeakPolarHBondContact O-CA 3.4Å; L361-T384 PolarHBondContact O-N 3.45Å; L361-T384 VanDerWaalsContact O-N 3.09Å
362Y98.9Very high98.8Very high1 Ų157.9 Ų57.90%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-122.5137.3-177.4-55.1-59.8000111.2P213 C214 Y215 I242 P244 A360 T384 D387 V388 I389P213-Y362 PolarHBondContact O-N 3.18Å; C214-Y362 CarbonylContact C-O 3.58Å; C214-Y362 WeakPolarHBondContact CA-O 3.49Å; Y215-Y362 PolarHBondContact N-O 3.5Å; I242-Y362 VanDerWaalsContact O-CE2 3.29Å; I242-Y362 WeakPolarHBondContact O-CE2 3.35Å; I242-Y362 VanDerWaalsContact O-CZ 3.31Å; I242-Y362 PolarHBondContact O-OH 2.83Å; P244-Y362 HydrophobicContact CB-CD2 4.09Å; P244-Y362 HydrophobicContact CB-CE2 4.33Å; A360-Y362 HydrophobicContact CB-CE1 4.23Å; A360-Y362 HydrophobicContact CB-CE2 4.04Å; Y362-T384 WeakPolarHBondContact CA-O 3.16Å; Y362-D387 WeakPolarHBondContact CD1-O 3.41Å; Y362-V388 HydrophobicContact CD1-CB 4.25Å; Y362-V388 HydrophobicContact CD1-CG1 4.02Å; Y362-V388 HydrophobicContact CD2-CB 4.48Å; Y362-V388 HydrophobicContact CD2-CG1 3.94Å; Y362-V388 HydrophobicContact CE1-CB 4.09Å; Y362-V388 HydrophobicContact CE1-CG1 4.33Å; Y362-V388 HydrophobicContact CE2-CB 4.3Å; Y362-V388 HydrophobicContact CE2-CG1 4.22Å; Y362-V388 HydrophobicContact CG-CB 4.44Å; Y362-V388 HydrophobicContact CG-CG1 3.8Å; Y362-I389 PolarHBondContact OH-N 2.73Å; Y362-I389 VanDerWaalsContact OH-N 3.12Å
363V98.9Very high98.8Very high0 Ų061.8 Ų61.80%028%0.283CS..EExtended strand (participates in β ladder)trans-136.8120.3-179.9-170.30000109.5Y215 L361 L370 I371 V374 T384 G385 N386Y215-V363 HydrophobicContact CD1-CG1 4.07Å; Y215-V363 CarbonylContact O-C 3.5Å; Y215-V363 WeakPolarHBondContact O-CA 3.41Å; L361-V363 HydrophobicContact CD2-CG2 3.46Å; L361-V363 VanDerWaalsContact CD2-CG2 3.46Å; V363-L370 HydrophobicContact CG1-CD2 4Å; V363-I371 HydrophobicContact CG1-CG1 4Å; V363-V374 HydrophobicContact CG1-CG2 4.32Å; V363-V374 HydrophobicContact CG2-CB 3.99Å; V363-V374 HydrophobicContact CG2-CG1 3.57Å; V363-V374 HydrophobicContact CG2-CG2 4.46Å; V363-T384 PolarHBondContact N-O 2.82Å; V363-G385 CarbonylContact O-C 3.58Å; V363-G385 WeakPolarHBondContact O-CA 3.28Å; V363-N386 PolarHBondContact O-N 3.48Å
364F98.9Very high98.8Very high4 Ų458.1 Ų58.12%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-107.3116.4175.1-71.4-97.4000110C214 Y215 I216 D217 A225 R228 V229 N386 V388C214-F364 VanDerWaalsContact SG-CE2 3.59Å; Y215-F364 PolarHBondContact O-N 2.82Å; I216-F364 HydrophobicContact CG1-CB 4.38Å; I216-F364 HydrophobicContact CG1-CD2 4.36Å; D217-F364 WeakPolarHBondContact CB-O 3.34Å; D217-F364 PolarHBondContact N-O 3.41Å; A225-F364 HydrophobicContact CB-CB 4.2Å; A225-F364 HydrophobicContact CB-CD1 3.45Å; A225-F364 VanDerWaalsContact CB-CD1 3.45Å; A225-F364 HydrophobicContact CB-CE1 3.99Å; A225-F364 HydrophobicContact CB-CG 3.93Å; R228-F364 HydrophobicContact CB-CE1 4.18Å; R228-F364 HydrophobicContact CB-CZ 4.2Å; V229-F364 HydrophobicContact CG2-CD2 4.35Å; V229-F364 HydrophobicContact CG2-CE2 3.61Å; V229-F364 HydrophobicContact CG2-CZ 3.77Å; F364-N386 WeakPolarHBondContact CA-OD1 3.4Å; F364-N386 WeakPolarHBondContact CE1-O 3.24Å; F364-V388 HydrophobicContact CE2-CG1 4.03Å; F364-V388 HydrophobicContact CZ-CG1 4.02Å
365S98.8Very high98.8Very high0 Ų054.3 Ų54.30%024%0.243CC..  trans-166.1148.5177.9-1790000110.6D217 N367 I371 N386D217-S365 WeakPolarHBondContact OD2-CB 3.2Å; D217-S365 PolarHBondContact OD2-OG 3.21Å; S365-N367 VanDerWaalsContact C-N 3.3Å; S365-N367 WeakPolarHBondContact OG-CB 3.32Å; S365-N367 PolarHBondContact OG-N 3.16Å; S365-I371 WeakPolarHBondContact O-CD1 3.41Å; S365-N386 PolarHBondContact N-OD1 2.83Å; S365-N386 PolarHBondContact O-ND2 2.89Å; S365-N386 PolarHBondContact O-OD1 3.02Å; S365-N386 VanDerWaalsContact O-OD1 3.06Å
366R98.6Very high98.8Very high158 Ų15857.2 Ų57.260%0.59626%0.263SS*.SBendtrans-78.9-17.7165.8-68.7175.5177.7-110.5-0.2111.8D219 D221 N368D219-R366 WeakPolarHBondContact O-CB 3.13Å; D219-R366 PolarHBondContact O-N 3.04Å; D221-R366 IonicContact OD2-NH2 3.05Å; R366-N368 PolarHBondContact O-N 3.45Å
367N98.5Very high98.8Very high67 Ų6754.3 Ų54.336%0.35825%0.25SC..  trans-85.498.2179.8-175.8-7.1000111.4S365 K369 L370 I371S365-N367 VanDerWaalsContact C-N 3.3Å; S365-N367 WeakPolarHBondContact OG-CB 3.32Å; S365-N367 PolarHBondContact OG-N 3.16Å; N367-K369 PolarHBondContact O-N 3.39Å; N367-K369 VanDerWaalsContact O-N 3.16Å; N367-K369 WeakPolarHBondContact OD1-CB 3.4Å; N367-K369 PolarHBondContact OD1-N 3.3Å; N367-L370 HydrophobicContact CB-CB 4.01Å; N367-L370 WeakPolarHBondContact O-CB 3.32Å; N367-L370 PolarHBondContact O-N 3.4Å; N367-L370 PolarHBondContact OD1-N 2.87Å; N367-I371 PolarHBondContact O-N 3.47Å; N367-I371 VanDerWaalsContact O-N 3.16Å
368N98.4Very high98.8Very high117 Ų11751 Ų5163%0.62624%0.237SC*.Hα-helixtrans-58.8-28.2177.3-72.4-29.2000114R366 K372R366-N368 PolarHBondContact O-N 3.45Å; N368-K372 WeakPolarHBondContact O-CG 3.38Å; N368-K372 PolarHBondContact O-N 3.03Å
369K98.6Very high98.8Very high176 Ų17652.9 Ų52.977%0.76525%0.25SS*.Hα-helixtrans-68.9-38.2176.1-62.3-179.9178.8177.40110.8N367 K372 R373N367-K369 PolarHBondContact O-N 3.39Å; N367-K369 VanDerWaalsContact O-N 3.16Å; N367-K369 WeakPolarHBondContact OD1-CB 3.4Å; N367-K369 PolarHBondContact OD1-N 3.3Å; K369-K372 PolarHBondContact O-N 3.03Å; K369-R373 VanDerWaalsContact O-CB 3.28Å; K369-R373 WeakPolarHBondContact O-CB 3.49Å; K369-R373 PolarHBondContact O-N 3.3Å
370L98.8Very high98.8Very high17 Ų1753.7 Ų53.79%0.08926%0.256CS..Hα-helixtrans-64.4-46.8175.3-173.6153000110.6Y215 V345 V363 N367 K372 R373 V374Y215-L370 HydrophobicContact CD1-CD2 4.18Å; Y215-L370 HydrophobicContact CE1-CD1 4.4Å; Y215-L370 HydrophobicContact CE1-CD2 3.81Å; V345-L370 HydrophobicContact CB-CD1 4.15Å; V345-L370 HydrophobicContact CB-CG 4.37Å; V345-L370 HydrophobicContact CG1-CD1 4.38Å; V345-L370 HydrophobicContact CG2-CD1 4.29Å; V345-L370 HydrophobicContact CG2-CD2 4.04Å; V345-L370 HydrophobicContact CG2-CG 3.99Å; V363-L370 HydrophobicContact CG1-CD2 4Å; N367-L370 HydrophobicContact CB-CB 4.01Å; N367-L370 WeakPolarHBondContact O-CB 3.32Å; N367-L370 PolarHBondContact O-N 3.4Å; N367-L370 PolarHBondContact OD1-N 2.87Å; L370-K372 VanDerWaalsContact C-N 3.33Å; L370-K372 PolarHBondContact O-N 3.49Å; L370-R373 WeakPolarHBondContact O-CB 3.34Å; L370-R373 PolarHBondContact O-N 3.32Å; L370-V374 HydrophobicContact CD2-CG2 4.04Å; L370-V374 WeakPolarHBondContact O-CG2 3.09Å; L370-V374 PolarHBondContact O-N 3.48Å
371I98.8Very high98.8Very high16 Ų1655.1 Ų55.18%0.08227%0.271CS..Hα-helixtrans-57.1-48.6177.3-64.6173000110.7V363 S365 N367 R373 V374 I375V363-I371 HydrophobicContact CG1-CG1 4Å; S365-I371 WeakPolarHBondContact O-CD1 3.41Å; N367-I371 PolarHBondContact O-N 3.47Å; N367-I371 VanDerWaalsContact O-N 3.16Å; I371-R373 VanDerWaalsContact C-N 3.32Å; I371-R373 PolarHBondContact O-N 3.27Å; I371-V374 PolarHBondContact O-N 3.44Å; I371-I375 HydrophobicContact CG2-CD1 3.91Å; I371-I375 WeakPolarHBondContact O-CG1 3.21Å; I371-I375 PolarHBondContact O-N 3.04Å; I371-I375 VanDerWaalsContact O-N 3.09Å
372K98.8Very high98.8Very high126 Ų12655.8 Ų55.855%0.54828%0.278SS..Hα-helixtrans-61.3-41.5177.9-72.9-61.5-174.8-175.70112.3N368 K369 L370 V374 I375 D376N368-K372 WeakPolarHBondContact O-CG 3.38Å; N368-K372 PolarHBondContact O-N 3.03Å; K369-K372 PolarHBondContact O-N 3.03Å; L370-K372 VanDerWaalsContact C-N 3.33Å; L370-K372 PolarHBondContact O-N 3.49Å; K372-V374 PolarHBondContact O-N 3.36Å; K372-I375 WeakPolarHBondContact O-CB 3.43Å; K372-I375 PolarHBondContact O-N 3.09Å; K372-I375 VanDerWaalsContact O-N 3.16Å; K372-D376 WeakPolarHBondContact O-CB 3.32Å; K372-D376 PolarHBondContact O-N 3.42Å
373R98.8Very high98.8Very high89 Ų8957.9 Ų57.934%0.33629%0.291SS..Hα-helixtrans-59.7-46.7176.5-170.1178.5176.6-142.1-20.6112.6D346 I349 K369 L370 I371 I375 D376 E377D346-R373 IonicContact OD1-CZ 3.14Å; D346-R373 IonicContact OD1-NH1 3.57Å; D346-R373 PolarHBondContact OD1-NH1 2.96Å; D346-R373 IonicContact OD1-NH2 2.81Å; D346-R373 PolarHBondContact OD1-NH2 2.91Å; I349-R373 HydrophobicContact CD1-CG 4.42Å; K369-R373 VanDerWaalsContact O-CB 3.28Å; K369-R373 WeakPolarHBondContact O-CB 3.49Å; K369-R373 PolarHBondContact O-N 3.3Å; L370-R373 WeakPolarHBondContact O-CB 3.34Å; L370-R373 PolarHBondContact O-N 3.32Å; I371-R373 VanDerWaalsContact C-N 3.32Å; I371-R373 PolarHBondContact O-N 3.27Å; R373-I375 VanDerWaalsContact C-N 3.27Å; R373-I375 PolarHBondContact O-N 3.19Å; R373-D376 PolarHBondContact O-N 3.26Å; R373-E377 HydrophobicContact CG-CG 4.36Å; R373-E377 WeakPolarHBondContact CG-OE1 3.19Å; R373-E377 IonicContact CZ-OE1 2.87Å; R373-E377 IonicContact CZ-OE2 2.64Å; R373-E377 IonicContact NE-OE1 3.86Å; R373-E377 PolarHBondContact NE-OE1 3.15Å; R373-E377 IonicContact NE-OE2 3.81Å; R373-E377 IonicContact NH2-OE1 2.65Å; R373-E377 IonicContact NH2-OE2 2.69Å; R373-E377 PolarHBondContact NH2-OE2 3.35Å; R373-E377 VanDerWaalsContact NH2-OE2 3.14Å; R373-E377 WeakPolarHBondContact O-CB 3.37Å; R373-E377 WeakPolarHBondContact O-CG 3.37Å; R373-E377 PolarHBondContact O-N 3.19Å
374V98.9Very high98.8Very high1 Ų158.6 Ų58.61%0.00630%0.295CS..Hα-helixtrans-60.6-40.2176.3176.90000110.8V345 I349 L361 V363 L370 I371 K372 T378V345-V374 HydrophobicContact CG2-CG2 3.5Å; V345-V374 VanDerWaalsContact CG2-CG2 3.5Å; I349-V374 HydrophobicContact CD1-CG2 4.26Å; I349-V374 HydrophobicContact CG1-CG2 4.27Å; L361-V374 HydrophobicContact CD1-CG1 4.34Å; L361-V374 HydrophobicContact CD2-CG1 3.95Å; V363-V374 HydrophobicContact CG1-CG2 4.32Å; V363-V374 HydrophobicContact CG2-CB 3.99Å; V363-V374 HydrophobicContact CG2-CG1 3.57Å; V363-V374 HydrophobicContact CG2-CG2 4.46Å; L370-V374 HydrophobicContact CD2-CG2 4.04Å; L370-V374 WeakPolarHBondContact O-CG2 3.09Å; L370-V374 PolarHBondContact O-N 3.48Å; I371-V374 PolarHBondContact O-N 3.44Å; K372-V374 PolarHBondContact O-N 3.36Å; V374-T378 HydrophobicContact CG1-CG2 4.41Å; V374-T378 WeakPolarHBondContact O-CB 3.4Å; V374-T378 WeakPolarHBondContact O-CG2 3.38Å; V374-T378 PolarHBondContact O-N 2.82Å; V374-T378 PolarHBondContact O-OG1 3.43Å
375I98.8Very high98.8Very high59 Ų5960.2 Ų60.230%0.30331%0.313SS..Hα-helixtrans-63.9-46.4176.3-67.8166.2000111.6I371 K372 R373 E377 V383I371-I375 HydrophobicContact CG2-CD1 3.91Å; I371-I375 WeakPolarHBondContact O-CG1 3.21Å; I371-I375 PolarHBondContact O-N 3.04Å; I371-I375 VanDerWaalsContact O-N 3.09Å; K372-I375 WeakPolarHBondContact O-CB 3.43Å; K372-I375 PolarHBondContact O-N 3.09Å; K372-I375 VanDerWaalsContact O-N 3.16Å; R373-I375 VanDerWaalsContact C-N 3.27Å; R373-I375 PolarHBondContact O-N 3.19Å; I375-E377 VanDerWaalsContact C-N 3.33Å; I375-E377 PolarHBondContact O-N 3.47Å; I375-V383 HydrophobicContact CD1-CG1 4.11Å; I375-V383 HydrophobicContact CG1-CG1 3.91Å; I375-V383 HydrophobicContact CG1-CG2 4.38Å
376D98.9Very high98.8Very high129 Ų12962.6 Ų62.669%0.6933%0.326SS*.Hα-helixtrans-72.7-27.2-174.4-64.9-21.5000112.4K372 R373K372-D376 WeakPolarHBondContact O-CB 3.32Å; K372-D376 PolarHBondContact O-N 3.42Å; R373-D376 PolarHBondContact O-N 3.26Å
377E98.9Very high98.8Very high83 Ų8356.7 Ų56.739%0.38831%0.306SS..Hα-helixtrans-102.13.4-175.9-64.8178.6-153.100113.8I349 N353 R373 I375I349-E377 HydrophobicContact CD1-CB 4.15Å; I349-E377 HydrophobicContact CG2-CB 3.84Å; N353-E377 PolarHBondContact ND2-O 3.15Å; N353-E377 PolarHBondContact OD1-O 2.91Å; R373-E377 HydrophobicContact CG-CG 4.36Å; R373-E377 WeakPolarHBondContact CG-OE1 3.19Å; R373-E377 IonicContact CZ-OE1 2.87Å; R373-E377 IonicContact CZ-OE2 2.64Å; R373-E377 IonicContact NE-OE1 3.86Å; R373-E377 PolarHBondContact NE-OE1 3.15Å; R373-E377 IonicContact NE-OE2 3.81Å; R373-E377 IonicContact NH2-OE1 2.65Å; R373-E377 IonicContact NH2-OE2 2.69Å; R373-E377 PolarHBondContact NH2-OE2 3.35Å; R373-E377 VanDerWaalsContact NH2-OE2 3.14Å; R373-E377 WeakPolarHBondContact O-CB 3.37Å; R373-E377 WeakPolarHBondContact O-CG 3.37Å; R373-E377 PolarHBondContact O-N 3.19Å; I375-E377 VanDerWaalsContact C-N 3.33Å; I375-E377 PolarHBondContact O-N 3.47Å
378T98.9Very high98.8Very high20 Ų2053.5 Ų53.512%0.12329%0.289CS..  trans-131.2177.2176.967.10000112.4I349 I352 L361 V374I349-T378 HydrophobicContact CB-CG2 4.46Å; I349-T378 HydrophobicContact CG1-CG2 4.28Å; I349-T378 HydrophobicContact CG2-CG2 4.11Å; I352-T378 HydrophobicContact CB-CG2 4.35Å; I352-T378 HydrophobicContact CG2-CG2 4.02Å; L361-T378 HydrophobicContact CD1-CG2 4.41Å; L361-T378 WeakPolarHBondContact CD1-OG1 3.49Å; V374-T378 HydrophobicContact CG1-CG2 4.41Å; V374-T378 WeakPolarHBondContact O-CB 3.4Å; V374-T378 WeakPolarHBondContact O-CG2 3.38Å; V374-T378 PolarHBondContact O-N 2.82Å; V374-T378 PolarHBondContact O-OG1 3.43Å
379S98.9Very high98.8Very high42 Ų4248.5 Ų48.529%0.29426%0.262SS..  trans-143.1123.8177.5-174.30000111.2K357K357-S379 WeakPolarHBondContact CD-OG 3.26Å; K357-S379 WeakPolarHBondContact CE-OG 3.25Å; K357-S379 PolarHBondContact NZ-OG 2.81Å
380S98.9Very high98.8Very high21 Ų2143.2 Ų43.215%0.14724%0.241CC..  trans-141.7170.9176.1620000110.5P358 G382 V383 V402P358-S380 VanDerWaalsContact O-CA 3.28Å; P358-S380 WeakPolarHBondContact O-CA 3.38Å; P358-S380 WeakPolarHBondContact O-CB 3.5Å; S380-G382 PolarHBondContact OG-O 2.86Å; S380-V383 WeakPolarHBondContact OG-CG2 3.48Å; S380-V402 VanDerWaalsContact C-CG1 3.45Å
381G98.8Very high98.8Very high30 Ų3043.5 Ų43.531%0.30924%0.242SC..SBendtrans-64.3-51.6172.500000112.3P358 L359 G400P358-G381 PolarHBondContact O-N 3.11Å; L359-G381 CarbonylContact O-C 3.53Å; L359-G381 WeakPolarHBondContact O-CA 3.45Å; L359-G381 PolarHBondContact O-N 2.84Å; G381-G400 CarbonylContact C-O 3.56Å; G381-G400 WeakPolarHBondContact CA-O 3.34Å
382G98.8Very high98.8Very high15 Ų1544.2 Ų44.216%0.15524%0.244CC..EExtended strand (participates in β ladder)trans-136.2165.2174.900000113.1L359 A360 L361 S380L359-G382 PolarHBondContact O-N 3.03Å; A360-G382 CarbonylContact C-O 3.59Å; A360-G382 WeakPolarHBondContact CA-O 3.43Å; L361-G382 PolarHBondContact N-O 2.81Å; S380-G382 PolarHBondContact OG-O 2.86Å
383V98.9Very high98.7Very high45 Ų4542 Ų4227%0.27324%0.242SC..EExtended strand (participates in β ladder)trans-132.1140.2174.7179.90000110.1L361 I375 S380L361-V383 HydrophobicContact CB-CG2 4.31Å; L361-V383 HydrophobicContact CD2-CG1 3.93Å; L361-V383 HydrophobicContact CD2-CG2 4.12Å; L361-V383 VanDerWaalsContact O-CA 3.31Å; L361-V383 WeakPolarHBondContact O-CA 3.4Å; I375-V383 HydrophobicContact CD1-CG1 4.11Å; I375-V383 HydrophobicContact CG1-CG1 3.91Å; I375-V383 HydrophobicContact CG1-CG2 4.38Å; S380-V383 WeakPolarHBondContact OG-CG2 3.48Å
384T98.9Very high98.6Very high15 Ų1540.5 Ų40.59%0.09224%0.242CC..EExtended strand (participates in β ladder)trans-127120.5163.9-530000109.6L361 Y362 V363 D387 H391L361-T384 PolarHBondContact O-N 3.45Å; L361-T384 VanDerWaalsContact O-N 3.09Å; Y362-T384 WeakPolarHBondContact CA-O 3.16Å; V363-T384 PolarHBondContact N-O 2.82Å; T384-D387 WeakPolarHBondContact CB-O 3.45Å; T384-D387 HydrophobicContact CG2-CB 3.74Å; T384-D387 VanDerWaalsContact CG2-O 3.29Å; T384-D387 WeakPolarHBondContact CG2-O 3.33Å; T384-H391 WeakPolarHBondContact OG1-CB 3.46Å; T384-H391 PolarHBondContact OG1-ND1 3.37Å
385G98.8Very high98.3Very high38 Ų3843 Ų4339%0.39226%0.255SS..EExtended strand (participates in β ladder)trans-88131.5173.300000110.2V363 D387V363-G385 CarbonylContact O-C 3.58Å; V363-G385 WeakPolarHBondContact O-CA 3.28Å; G385-D387 PolarHBondContact O-N 2.87Å; G385-D387 VanDerWaalsContact O-N 3.16Å
386N98.8Very high98Very high51 Ų5144.1 Ų44.127%0.27327%0.268SS..SBendtrans61.211.7179.6-65.8-43.9000115.8R228 V363 F364 S365R228-N386 VanDerWaalsContact CD-O 3.29Å; R228-N386 WeakPolarHBondContact CD-O 3.44Å; R228-N386 PolarHBondContact NH1-O 2.73Å; V363-N386 PolarHBondContact O-N 3.48Å; F364-N386 WeakPolarHBondContact CA-OD1 3.4Å; F364-N386 WeakPolarHBondContact CE1-O 3.24Å; S365-N386 PolarHBondContact N-OD1 2.83Å; S365-N386 PolarHBondContact O-ND2 2.89Å; S365-N386 PolarHBondContact O-OD1 3.02Å; S365-N386 VanDerWaalsContact O-OD1 3.06Å
387D98.9Very high97.9Very high33 Ų3341.6 Ų41.618%0.17625%0.254CS..SBendtrans-151.7176171.2-144.1-29.7000109.8R228 Y362 T384 G385R228-D387 WeakPolarHBondContact CD-OD1 3.22Å; R228-D387 IonicContact CZ-OD2 2.77Å; R228-D387 IonicContact NE-OD2 3.91Å; R228-D387 PolarHBondContact NE-OD2 3.12Å; Y362-D387 WeakPolarHBondContact CD1-O 3.41Å; T384-D387 WeakPolarHBondContact CB-O 3.45Å; T384-D387 HydrophobicContact CG2-CB 3.74Å; T384-D387 VanDerWaalsContact CG2-O 3.29Å; T384-D387 WeakPolarHBondContact CG2-O 3.33Å; G385-D387 PolarHBondContact O-N 2.87Å; G385-D387 VanDerWaalsContact O-N 3.16Å
388V98.9Very high97.9Very high0 Ų040.6 Ų40.60%026%0.255CS..SBendtrans-123.9157.6175.6-63.10000110.2R228 V229 W231 P244 Y362 F364 M390R228-V388 WeakPolarHBondContact O-CG2 3.41Å; V229-V388 HydrophobicContact CG2-CG1 4.34Å; W231-V388 HydrophobicContact CE3-CG2 3.94Å; W231-V388 HydrophobicContact CZ3-CG2 4.06Å; P244-V388 HydrophobicContact CB-CG1 4.44Å; P244-V388 HydrophobicContact CG-CG1 4.3Å; Y362-V388 HydrophobicContact CD1-CB 4.25Å; Y362-V388 HydrophobicContact CD1-CG1 4.02Å; Y362-V388 HydrophobicContact CD2-CB 4.48Å; Y362-V388 HydrophobicContact CD2-CG1 3.94Å; Y362-V388 HydrophobicContact CE1-CB 4.09Å; Y362-V388 HydrophobicContact CE1-CG1 4.33Å; Y362-V388 HydrophobicContact CE2-CB 4.3Å; Y362-V388 HydrophobicContact CE2-CG1 4.22Å; Y362-V388 HydrophobicContact CG-CB 4.44Å; Y362-V388 HydrophobicContact CG-CG1 3.8Å; F364-V388 HydrophobicContact CE2-CG1 4.03Å; F364-V388 HydrophobicContact CZ-CG1 4.02Å; V388-M390 WeakPolarHBondContact O-CG 3.35Å; V388-M390 PolarHBondContact O-N 3.25Å
389I98.7Very high97.9Very high13 Ų1340.6 Ų40.67%0.06725%0.253CS..SBendtrans67.3-36.2174-48-64.1000115.4W231 T240 I242 Y362 H391 F392W231-I389 HydrophobicContact CH2-CB 4.07Å; W231-I389 HydrophobicContact CH2-CG1 4.39Å; W231-I389 HydrophobicContact CH2-CG2 4.37Å; W231-I389 HydrophobicContact CZ3-CB 4.05Å; W231-I389 HydrophobicContact CZ3-CG1 4.14Å; T240-I389 HydrophobicContact CG2-CD1 4.44Å; I242-I389 HydrophobicContact CB-CD1 4.24Å; I242-I389 HydrophobicContact CD1-CB 4.46Å; I242-I389 HydrophobicContact CD1-CD1 3.99Å; I242-I389 HydrophobicContact CD1-CG2 3.86Å; I242-I389 HydrophobicContact CG1-CD1 3.67Å; I242-I389 WeakPolarHBondContact O-CD1 3.04Å; Y362-I389 PolarHBondContact OH-N 2.73Å; Y362-I389 VanDerWaalsContact OH-N 3.12Å; I389-H391 VanDerWaalsContact C-N 3.28Å; I389-H391 PolarHBondContact O-N 3.24Å; I389-F392 WeakPolarHBondContact O-CB 3.34Å; I389-F392 PolarHBondContact O-N 2.96Å
390M98.6Very high97.9Very high64 Ų6439 Ų3932%0.31524%0.244SC..G310 helixtrans-63.4-20.7-161.8-63.7-69.774.300116.5W231 V388 F392 T393W231-M390 HydrophobicContact CH2-CE 3.45Å; W231-M390 VanDerWaalsContact CH2-CE 3.45Å; W231-M390 HydrophobicContact CH2-SD 4.2Å; W231-M390 HydrophobicContact CZ2-CE 4.37Å; W231-M390 HydrophobicContact CZ3-CE 4.18Å; V388-M390 WeakPolarHBondContact O-CG 3.35Å; V388-M390 PolarHBondContact O-N 3.25Å; M390-F392 PolarHBondContact O-N 3.32Å; M390-T393 HydrophobicContact CE-CG2 3.85Å; M390-T393 PolarHBondContact O-N 2.99Å; M390-T393 PolarHBondContact O-OG1 2.93Å
391H98.6Very high97.9Very high23 Ų2338.6 Ų38.611%0.10624%0.243CC..G310 helixtrans-61-24.9171.267.6-81.3000112.8T384 I389 T393 L397T384-H391 WeakPolarHBondContact OG1-CB 3.46Å; T384-H391 PolarHBondContact OG1-ND1 3.37Å; I389-H391 VanDerWaalsContact C-N 3.28Å; I389-H391 PolarHBondContact O-N 3.24Å; H391-T393 VanDerWaalsContact C-N 3.26Å; H391-T393 PolarHBondContact O-N 2.96Å; H391-L397 HydrophobicContact CB-CD1 4.16Å
392F98.4Very high97.9Very high31 Ų3139.4 Ų39.414%0.13624%0.242CC..G310 helixtrans-63-28.2176.2177.4-91.5000113.3T63 V116 I242 I389 M390 V394 F399 H411T63-F392 HydrophobicContact CG2-CE1 3.95Å; T63-F392 HydrophobicContact CG2-CZ 4.37Å; V116-F392 HydrophobicContact CG1-CZ 4.16Å; I242-F392 HydrophobicContact CD1-CB 3.81Å; I242-F392 HydrophobicContact CD1-CD2 4.16Å; I242-F392 HydrophobicContact CD1-CG 4.14Å; I389-F392 WeakPolarHBondContact O-CB 3.34Å; I389-F392 PolarHBondContact O-N 2.96Å; M390-F392 PolarHBondContact O-N 3.32Å; F392-V394 VanDerWaalsContact C-N 3.34Å; F392-F399 HydrophobicContact CD2-CD1 4.5Å; F392-F399 AromaticContact CD2-CD2 3.75Å; F392-F399 HydrophobicContact CD2-CD2 3.75Å; F392-F399 HydrophobicContact CD2-CE1 4.39Å; F392-F399 AromaticContact CD2-CE2 3.64Å; F392-F399 HydrophobicContact CD2-CE2 3.64Å; F392-F399 HydrophobicContact CD2-CG 4.18Å; F392-F399 AromaticContact CD2-CZ 3.95Å; F392-F399 HydrophobicContact CD2-CZ 3.95Å; F392-F399 HydrophobicContact CE2-CE1 4.35Å; F392-F399 HydrophobicContact CE2-CE2 4.37Å; F392-F399 HydrophobicContact CE2-CZ 4.27Å; F392-H411 AromaticContact CD2-CE1 3.54Å; F392-H411 AromaticContact CE2-CE1 3.32Å; F392-H411 WeakPolarHBondContact CE2-CE1 3.28Å; F392-H411 AromaticContact CE2-NE2 3.6Å; F392-H411 AromaticContact CZ-CE1 3.69Å; F392-H411 PolarHBondContact O-CE1 3.49Å; F392-H411 PolarHBondContact O-ND1 3.25Å
393T96Very high97.9Very high81 Ų8141.2 Ų41.250%0.49726%0.261SS..G310 helixtrans-89.2-1.3-171.163.90000113.6M390 H391M390-T393 HydrophobicContact CE-CG2 3.85Å; M390-T393 PolarHBondContact O-N 2.99Å; M390-T393 PolarHBondContact O-OG1 2.93Å; H391-T393 VanDerWaalsContact C-N 3.26Å; H391-T393 PolarHBondContact O-N 2.96Å
394V97.3Very high97.9Very high56 Ų5640.3 Ų40.334%0.33926%0.257SS..  trans-99.5101.7-173.4-1760000109.8F392 S396 L397F392-V394 VanDerWaalsContact C-N 3.34Å; V394-S396 VanDerWaalsContact CG1-OG 3.32Å; V394-S396 WeakPolarHBondContact CG1-OG 3.29Å; V394-S396 PolarHBondContact O-N 3.46Å; V394-L397 HydrophobicContact CB-CB 4.41Å; V394-L397 HydrophobicContact CB-CD1 3.88Å; V394-L397 HydrophobicContact CB-CG 3.93Å; V394-L397 HydrophobicContact CG1-CD1 4.17Å; V394-L397 HydrophobicContact CG1-CG 3.83Å; V394-L397 HydrophobicContact CG2-CD1 4.29Å; V394-L397 PolarHBondContact O-N 2.91Å
395N91.6Very high97.9Very high53 Ų5339.6 Ų39.628%0.28325%0.253SS..THydrogen-bonded Turntrans-55.9-17.6-178-64.2-16.9000115.5F70F70-N395 HydrophobicContact CD2-CB 3.9Å; F70-N395 HydrophobicContact CE2-CB 4.04Å; F70-N395 HydrophobicContact CG-CB 4.33Å
396S92.9Very high97.9Very high83 Ų8337.9 Ų37.958%0.5824%0.236SC*.THydrogen-bonded Turntrans-89.9-5.5177.260.70000114.1V394 Y414V394-S396 VanDerWaalsContact CG1-OG 3.32Å; V394-S396 WeakPolarHBondContact CG1-OG 3.29Å; V394-S396 PolarHBondContact O-N 3.46Å; S396-Y414 VanDerWaalsContact O-CE2 3.31Å; S396-Y414 WeakPolarHBondContact O-CE2 3.29Å; S396-Y414 PolarHBondContact O-OH 3.34Å; S396-Y414 VanDerWaalsContact O-OH 3.1Å
397L98.1Very high97.9Very high76 Ų7639.2 Ų39.240%0.39824%0.241SC..SBendtrans-97.5136.4172.6-62-178.2000110.1H391 V394 Y414H391-L397 HydrophobicContact CB-CD1 4.16Å; V394-L397 HydrophobicContact CB-CB 4.41Å; V394-L397 HydrophobicContact CB-CD1 3.88Å; V394-L397 HydrophobicContact CB-CG 3.93Å; V394-L397 HydrophobicContact CG1-CD1 4.17Å; V394-L397 HydrophobicContact CG1-CG 3.83Å; V394-L397 HydrophobicContact CG2-CD1 4.29Å; V394-L397 PolarHBondContact O-N 2.91Å; L397-Y414 VanDerWaalsContact C-CE2 3.47Å
398P98.3Very high97.9Very high62 Ų6239.7 Ų39.740%0.40325%0.254SS..PPolyproline II helixtrans-71.1129.8168.428.6-29.1000108.9A409 Y414P398-A409 HydrophobicContact CB-CB 3.73Å; P398-Y414 HydrophobicContact CB-CD1 3.8Å; P398-Y414 HydrophobicContact CB-CD2 3.84Å; P398-Y414 HydrophobicContact CB-CE1 3.97Å; P398-Y414 HydrophobicContact CB-CE2 4.03Å; P398-Y414 HydrophobicContact CB-CG 3.72Å; P398-Y414 HydrophobicContact CG-CD1 4.48Å; P398-Y414 HydrophobicContact CG-CE1 4.16Å; P398-Y414 HydrophobicContact CG-CE2 4.31Å; P398-Y414 VanDerWaalsContact N-CE2 3.28Å
399F98.8Very high97.8Very high20 Ų2041.1 Ų41.19%0.08827%0.266CS..BIsolated β-bridgetrans-99.4118.8170.5179.6-95.8000109.1I242 L359 F392 A409 Y410 H411I242-F399 HydrophobicContact CD1-CE2 4.46Å; I242-F399 HydrophobicContact CG2-CE2 3.92Å; I242-F399 HydrophobicContact CG2-CZ 4.17Å; L359-F399 HydrophobicContact CD2-CZ 3.99Å; F392-F399 HydrophobicContact CD2-CD1 4.5Å; F392-F399 AromaticContact CD2-CD2 3.75Å; F392-F399 HydrophobicContact CD2-CD2 3.75Å; F392-F399 HydrophobicContact CD2-CE1 4.39Å; F392-F399 AromaticContact CD2-CE2 3.64Å; F392-F399 HydrophobicContact CD2-CE2 3.64Å; F392-F399 HydrophobicContact CD2-CG 4.18Å; F392-F399 AromaticContact CD2-CZ 3.95Å; F392-F399 HydrophobicContact CD2-CZ 3.95Å; F392-F399 HydrophobicContact CE2-CE1 4.35Å; F392-F399 HydrophobicContact CE2-CE2 4.37Å; F392-F399 HydrophobicContact CE2-CZ 4.27Å; F399-A409 CarbonylContact O-C 3.59Å; F399-A409 WeakPolarHBondContact O-CA 3.23Å; F399-A409 WeakPolarHBondContact O-CB 3.24Å; F399-Y410 HydrophobicContact CD1-CD1 4.17Å; F399-Y410 AromaticContact CD1-CE1 3.55Å; F399-Y410 HydrophobicContact CD1-CE1 3.55Å; F399-Y410 HydrophobicContact CE1-CE1 4.09Å; F399-Y410 PolarHBondContact N-O 2.97Å; F399-Y410 PolarHBondContact O-N 3.03Å; F399-H411 AromaticContact CD1-NE2 3.76Å; F399-H411 AromaticContact CG-CE1 3.86Å; F399-H411 AromaticContact CG-NE2 3.83Å
400G98.6Very high97.9Very high9 Ų940.5 Ų40.59%0.09326%0.263CS..  trans-174.9157.6-176.900000112.7E207 G381E207-G400 WeakPolarHBondContact OE1-CA 3.46Å; E207-G400 WeakPolarHBondContact OE2-CA 3.36Å; G381-G400 CarbonylContact C-O 3.56Å; G381-G400 WeakPolarHBondContact CA-O 3.34Å
401G98.7Very high97.8Very high12 Ų1237.5 Ų37.512%0.12425%0.248CC..  trans-88.6176.4175.300000114.4G406G401-G406 CarbonylContact C-O 3.05Å
402V98.9Very high97.8Very high48 Ų4836.4 Ų36.429%0.29124%0.243SC..  trans-142.2133.917360.50000110.4K357 S380 A404 S405 G406K357-V402 HydrophobicContact CB-CG1 4.11Å; K357-V402 WeakPolarHBondContact CB-O 3.33Å; K357-V402 HydrophobicContact CD-CG1 4Å; K357-V402 HydrophobicContact CD-CG2 4.19Å; S380-V402 VanDerWaalsContact C-CG1 3.45Å; V402-A404 PolarHBondContact O-N 3.45Å; V402-S405 PolarHBondContact N-OG 3.31Å; V402-S405 PolarHBondContact O-OG 3.04Å; V402-G406 CarbonylContact C-O 3.58Å; V402-G406 VanDerWaalsContact CA-O 3.32Å; V402-G406 WeakPolarHBondContact CA-O 3.29Å; V402-G406 PolarHBondContact N-O 3.45Å
403G98.7Very high97.8Very high53 Ų5338 Ų3855%0.54625%0.25SC..BIsolated β-bridgetrans68.1-128.3-176.400000111.2S405 G406G403-S405 PolarHBondContact O-N 3.37Å; G403-G406 PolarHBondContact N-O 3.18Å; G403-G406 PolarHBondContact O-N 2.86Å; G403-G406 VanDerWaalsContact O-N 3.16Å
404A98.6Very high98Very high25 Ų2538.1 Ų38.121%0.20724%0.242CC..THydrogen-bonded Turntrans-67.9-20-177.600000114.5T187 L208 E356 V402 G406T187-A404 HydrophobicContact CG2-CB 4.49Å; T187-A404 PolarHBondContact OG1-O 2.91Å; T187-A404 VanDerWaalsContact OG1-O 3.08Å; L208-A404 WeakPolarHBondContact CD1-O 3.25Å; E356-A404 HydrophobicContact CB-CB 3.97Å; E356-A404 HydrophobicContact CG-CB 4.04Å; E356-A404 VanDerWaalsContact OE2-CB 3.3Å; E356-A404 WeakPolarHBondContact OE2-CB 3.47Å; V402-A404 PolarHBondContact O-N 3.45Å; A404-G406 VanDerWaalsContact C-N 3.35Å
405S98.8Very high98.1Very high0 Ų035.4 Ų35.40%023%0.225CC..THydrogen-bonded Turntrans-82.5-9.9174.457.50000113.9L208 G209 K357 P358 V402 G403L208-S405 CarbonylContact C-O 3.55Å; L208-S405 WeakPolarHBondContact CA-O 3.47Å; L208-S405 VanDerWaalsContact CB-O 3.29Å; L208-S405 WeakPolarHBondContact CB-O 3.49Å; L208-S405 PolarHBondContact N-O 2.91Å; G209-S405 VanDerWaalsContact O-CA 3.26Å; G209-S405 WeakPolarHBondContact O-CA 3.3Å; G209-S405 VanDerWaalsContact O-CB 3.26Å; G209-S405 WeakPolarHBondContact O-CB 3.18Å; K357-S405 VanDerWaalsContact O-CB 3.25Å; K357-S405 WeakPolarHBondContact O-CB 3.32Å; K357-S405 PolarHBondContact O-OG 2.97Å; P358-S405 PolarHBondContact O-OG 3.31Å; V402-S405 PolarHBondContact N-OG 3.31Å; V402-S405 PolarHBondContact O-OG 3.04Å; G403-S405 PolarHBondContact O-N 3.37Å
406G98.8Very high98.4Very high3 Ų333 Ų333%0.03121%0.212CC..EExtended strand (participates in β ladder)trans147.8-178173.700000116.3L206 G401 V402 G403 A404L206-G406 CarbonylContact O-C 3.55Å; L206-G406 WeakPolarHBondContact O-CA 3.18Å; G401-G406 CarbonylContact C-O 3.05Å; V402-G406 CarbonylContact C-O 3.58Å; V402-G406 VanDerWaalsContact CA-O 3.32Å; V402-G406 WeakPolarHBondContact CA-O 3.29Å; V402-G406 PolarHBondContact N-O 3.45Å; G403-G406 PolarHBondContact N-O 3.18Å; G403-G406 PolarHBondContact O-N 2.86Å; G403-G406 VanDerWaalsContact O-N 3.16Å; A404-G406 VanDerWaalsContact C-N 3.35Å
407M98.9Very high98.7Very high78 Ų7831 Ų3138%0.38420%0.195SC..EExtended strand (participates in β ladder)trans-151.1149.4169.967.3175.569.800110.9M194 V204 T205 L206M194-M407 HydrophobicContact CE-CE 3.78Å; M194-M407 HydrophobicContact CE-SD 4.03Å; M194-M407 HydrophobicContact SD-CE 3.76Å; M194-M407 HydrophobicContact SD-SD 4.36Å; V204-M407 HydrophobicContact CG2-CG 4.45Å; V204-M407 HydrophobicContact CG2-SD 3.9Å; T205-M407 WeakPolarHBondContact CA-O 3.49Å; L206-M407 HydrophobicContact CB-CG 4.24Å; L206-M407 HydrophobicContact CD1-CE 4.41Å; L206-M407 HydrophobicContact CD1-CG 4.24Å; L206-M407 HydrophobicContact CD1-SD 4.48Å; L206-M407 HydrophobicContact CG-CG 4.18Å; L206-M407 PolarHBondContact N-O 3.39Å; L206-M407 PolarHBondContact O-N 2.89Å
408G98.7Very high98.7Very high44 Ų4428.6 Ų28.645%0.45419%0.186SC..  trans79.1176.1-168.300000111.3
409A98.8Very high98.8Very high29 Ų2925.6 Ų25.624%0.2417%0.167CC..  trans-155.1158.3175.900000109.7P398 F399P398-A409 HydrophobicContact CB-CB 3.73Å; F399-A409 CarbonylContact O-C 3.59Å; F399-A409 WeakPolarHBondContact O-CA 3.23Å; F399-A409 WeakPolarHBondContact O-CB 3.24Å
410Y98.8Very high98.8Very high0 Ų025.1 Ų25.10%017%0.166CC..BIsolated β-bridgetrans-139.6-163.2174.380.2-65.4000110.7Q120 P121 L182 E207 F399Q120-Y410 HydrophobicContact CB-CE2 4.24Å; Q120-Y410 HydrophobicContact CG-CE2 4.14Å; Q120-Y410 PolarHBondContact OE1-OH 3.42Å; P121-Y410 HydrophobicContact CG-CD2 4.3Å; P121-Y410 HydrophobicContact CG-CE2 3.86Å; L182-Y410 HydrophobicContact CD1-CD1 4.47Å; L182-Y410 HydrophobicContact CD1-CG 4.31Å; E207-Y410 HydrophobicContact CG-CD1 4.15Å; E207-Y410 HydrophobicContact CG-CE1 3.85Å; F399-Y410 HydrophobicContact CD1-CD1 4.17Å; F399-Y410 AromaticContact CD1-CE1 3.55Å; F399-Y410 HydrophobicContact CD1-CE1 3.55Å; F399-Y410 HydrophobicContact CE1-CE1 4.09Å; F399-Y410 PolarHBondContact N-O 2.97Å; F399-Y410 PolarHBondContact O-N 3.03Å
411H98.5Very high98.8Very high2 Ų229 Ų291%0.00918%0.181CC..SBendtrans87.5137.8-166.7-64.6-159.1000114.1Q120 F392 F399 K413 Y414 S415Q120-H411 PolarHBondContact NE2-CD2 3.33Å; Q120-H411 PolarHBondContact NE2-CE1 2.89Å; Q120-H411 PolarHBondContact NE2-NE2 3.45Å; Q120-H411 PolarHBondContact OE1-NE2 3.28Å; F392-H411 AromaticContact CD2-CE1 3.54Å; F392-H411 AromaticContact CE2-CE1 3.32Å; F392-H411 WeakPolarHBondContact CE2-CE1 3.28Å; F392-H411 AromaticContact CE2-NE2 3.6Å; F392-H411 AromaticContact CZ-CE1 3.69Å; F392-H411 PolarHBondContact O-CE1 3.49Å; F392-H411 PolarHBondContact O-ND1 3.25Å; F399-H411 AromaticContact CD1-NE2 3.76Å; F399-H411 AromaticContact CG-CE1 3.86Å; F399-H411 AromaticContact CG-NE2 3.83Å; H411-K413 PolarHBondContact O-N 2.95Å; H411-Y414 WeakPolarHBondContact O-CA 3.43Å; H411-Y414 WeakPolarHBondContact O-CB 3.3Å; H411-Y414 PolarHBondContact O-N 2.84Å; H411-S415 VanDerWaalsContact CA-OG 3.24Å; H411-S415 WeakPolarHBondContact CA-OG 3.33Å; H411-S415 PolarHBondContact N-OG 2.95Å; H411-S415 PolarHBondContact O-N 2.97Å; H411-S415 VanDerWaalsContact O-N 3.11Å
412G98.4Very high98.8Very high0 Ų031.2 Ų31.20%019%0.189CC..Hα-helixtrans43.7-124.6176.800000112.8E67 F70 M71 Y414 S415 F416E67-G412 PolarHBondContact OE1-N 3.49Å; E67-G412 PolarHBondContact OE2-N 3.2Å; F70-G412 VanDerWaalsContact CE1-C 3.5Å; M71-G412 WeakPolarHBondContact CE-O 3.49Å; G412-Y414 PolarHBondContact O-N 3.17Å; G412-S415 WeakPolarHBondContact O-CB 3.28Å; G412-S415 PolarHBondContact O-N 3.37Å; G412-F416 PolarHBondContact O-N 2.82Å
413K98.7Very high98.8Very high65 Ų6534 Ų3428%0.28319%0.194SC..Hα-helixtrans-59.5-32.7179.1170.4170.1175.9-3.80113L78 H411 F416 D417L78-K413 HydrophobicContact CD2-CB 3.97Å; L78-K413 HydrophobicContact CD2-CD 3.71Å; L78-K413 HydrophobicContact CD2-CG 3.63Å; H411-K413 PolarHBondContact O-N 2.95Å; K413-F416 WeakPolarHBondContact O-CB 3.4Å; K413-F416 PolarHBondContact O-N 3.1Å; K413-D417 IonicContact NZ-OD1 3.8Å; K413-D417 PolarHBondContact NZ-OD1 3.05Å; K413-D417 IonicContact NZ-OD2 2.78Å; K413-D417 PolarHBondContact NZ-OD2 3.24Å; K413-D417 PolarHBondContact O-N 3.14Å
414Y98.8Very high98.7Very high82 Ų8236.2 Ų36.232%0.32220%0.199SC..Hα-helixtrans-72.2-31.4-179.2-54.4-81.2000111.8S396 L397 P398 H411 G412 D417 A418S396-Y414 VanDerWaalsContact O-CE2 3.31Å; S396-Y414 WeakPolarHBondContact O-CE2 3.29Å; S396-Y414 PolarHBondContact O-OH 3.34Å; S396-Y414 VanDerWaalsContact O-OH 3.1Å; L397-Y414 VanDerWaalsContact C-CE2 3.47Å; P398-Y414 HydrophobicContact CB-CD1 3.8Å; P398-Y414 HydrophobicContact CB-CD2 3.84Å; P398-Y414 HydrophobicContact CB-CE1 3.97Å; P398-Y414 HydrophobicContact CB-CE2 4.03Å; P398-Y414 HydrophobicContact CB-CG 3.72Å; P398-Y414 HydrophobicContact CG-CD1 4.48Å; P398-Y414 HydrophobicContact CG-CE1 4.16Å; P398-Y414 HydrophobicContact CG-CE2 4.31Å; P398-Y414 VanDerWaalsContact N-CE2 3.28Å; H411-Y414 WeakPolarHBondContact O-CA 3.43Å; H411-Y414 WeakPolarHBondContact O-CB 3.3Å; H411-Y414 PolarHBondContact O-N 2.84Å; G412-Y414 PolarHBondContact O-N 3.17Å; Y414-D417 PolarHBondContact O-N 3.11Å; Y414-A418 WeakPolarHBondContact O-CB 3.3Å; Y414-A418 PolarHBondContact O-N 3.12Å
415S98.9Very high98.7Very high0 Ų036 Ų360%020%0.195CC..Hα-helixtrans-58.7-49.1167-67.50000111.2E67 H411 G412 D417 A418 F419E67-S415 PolarHBondContact OE1-OG 3.05Å; H411-S415 VanDerWaalsContact CA-OG 3.24Å; H411-S415 WeakPolarHBondContact CA-OG 3.33Å; H411-S415 PolarHBondContact N-OG 2.95Å; H411-S415 PolarHBondContact O-N 2.97Å; H411-S415 VanDerWaalsContact O-N 3.11Å; G412-S415 WeakPolarHBondContact O-CB 3.28Å; G412-S415 PolarHBondContact O-N 3.37Å; S415-D417 VanDerWaalsContact C-N 3.31Å; S415-D417 PolarHBondContact O-N 2.88Å; S415-A418 PolarHBondContact O-N 3.44Å; S415-F419 WeakPolarHBondContact O-CD2 3.33Å; S415-F419 PolarHBondContact O-N 3.37Å
416F98.9Very high98.7Very high1 Ų140 Ų400%0.00422%0.216CC..Hα-helixtrans-59.2-44.1178.1176.7-88.9000111.5L75 L78 A79 P99 A127 A128 G412 K413 S420L75-F416 HydrophobicContact CD1-CD2 3.77Å; L75-F416 HydrophobicContact CD1-CE2 3.62Å; L78-F416 HydrophobicContact CB-CD1 4.05Å; L78-F416 HydrophobicContact CB-CD2 4.29Å; L78-F416 HydrophobicContact CB-CE1 4.11Å; L78-F416 HydrophobicContact CB-CE2 4.34Å; L78-F416 HydrophobicContact CB-CG 4.15Å; L78-F416 HydrophobicContact CB-CZ 4.27Å; L78-F416 HydrophobicContact CD1-CB 4.19Å; L78-F416 HydrophobicContact CD1-CG 4.3Å; L78-F416 VanDerWaalsContact O-CE1 3.26Å; L78-F416 WeakPolarHBondContact O-CE1 3.19Å; L78-F416 WeakPolarHBondContact O-CZ 3.25Å; A79-F416 HydrophobicContact CB-CZ 4.31Å; P99-F416 HydrophobicContact CB-CE1 3.64Å; P99-F416 HydrophobicContact CB-CZ 3.73Å; P99-F416 HydrophobicContact CG-CE1 3.88Å; P99-F416 HydrophobicContact CG-CZ 4.22Å; A127-F416 HydrophobicContact CB-CD2 4.39Å; A128-F416 HydrophobicContact CB-CD2 4.25Å; A128-F416 HydrophobicContact CB-CE2 4.49Å; G412-F416 PolarHBondContact O-N 2.82Å; K413-F416 WeakPolarHBondContact O-CB 3.4Å; K413-F416 PolarHBondContact O-N 3.1Å; F416-S420 VanDerWaalsContact O-CB 3.25Å; F416-S420 WeakPolarHBondContact O-CB 3.5Å; F416-S420 PolarHBondContact O-N 3.48Å; F416-S420 PolarHBondContact O-OG 3.19Å
417D98.9Very high98.7Very high43 Ų4344 Ų4423%0.2324%0.236CC..Hα-helixtrans-66.5-43.9178.5-68.4-13.2000112.1K413 Y414 S415 F419 S420 Q422K413-D417 IonicContact NZ-OD1 3.8Å; K413-D417 PolarHBondContact NZ-OD1 3.05Å; K413-D417 IonicContact NZ-OD2 2.78Å; K413-D417 PolarHBondContact NZ-OD2 3.24Å; K413-D417 PolarHBondContact O-N 3.14Å; Y414-D417 PolarHBondContact O-N 3.11Å; S415-D417 VanDerWaalsContact C-N 3.31Å; S415-D417 PolarHBondContact O-N 2.88Å; D417-F419 PolarHBondContact O-N 3.48Å; D417-S420 PolarHBondContact O-N 3.09Å; D417-S420 VanDerWaalsContact O-N 3.1Å; D417-Q422 PolarHBondContact OD1-NE2 3.35Å
418A98.8Very high98.5Very high24 Ų2444.8 Ų44.820%0.19824%0.238CC..Hα-helixtrans-61.4-31.9-178.800000112.7Y414 S415Y414-A418 WeakPolarHBondContact O-CB 3.3Å; Y414-A418 PolarHBondContact O-N 3.12Å; S415-A418 PolarHBondContact O-N 3.44Å
419F98.9Very high98.2Very high0 Ų045.4 Ų45.40%024%0.244CC..THydrogen-bonded Turntrans-99.713.7178.5-58-57.5000113.8V105 P121 A125 A128 N130 H180 L182 S415 D417V105-F419 HydrophobicContact CG1-CD1 3.82Å; V105-F419 HydrophobicContact CG1-CE1 3.58Å; V105-F419 HydrophobicContact CG1-CZ 4.45Å; V105-F419 HydrophobicContact CG2-CD1 4Å; P121-F419 HydrophobicContact CB-CZ 4.33Å; P121-F419 VanDerWaalsContact O-CE2 3.27Å; P121-F419 WeakPolarHBondContact O-CE2 3.34Å; A125-F419 HydrophobicContact CB-CD2 4.13Å; A125-F419 HydrophobicContact CB-CE2 4.37Å; A125-F419 HydrophobicContact CB-CG 4.25Å; A128-F419 HydrophobicContact CB-CB 3.71Å; A128-F419 WeakPolarHBondContact CB-O 3.4Å; N130-F419 PolarHBondContact ND2-O 3.29Å; H180-F419 AromaticContact CD2-CD1 3.87Å; H180-F419 AromaticContact CD2-CE1 3.68Å; L182-F419 HydrophobicContact CB-CE1 4.21Å; L182-F419 HydrophobicContact CB-CZ 4.2Å; L182-F419 HydrophobicContact CD1-CE1 4.38Å; L182-F419 HydrophobicContact CD1-CZ 3.73Å; S415-F419 WeakPolarHBondContact O-CD2 3.33Å; S415-F419 PolarHBondContact O-N 3.37Å; D417-F419 PolarHBondContact O-N 3.48Å
420S98.9Very high97.9Very high10 Ų1052.8 Ų52.87%0.0728%0.278CS..EExtended strand (participates in β ladder)trans-126.4144.4177.3-58.70000111.6E100 A128 F416 D417E100-S420 CarbonylContact O-C 3.55Å; E100-S420 VanDerWaalsContact O-CA 3.32Å; E100-S420 WeakPolarHBondContact O-CA 3.06Å; A128-S420 WeakPolarHBondContact CB-OG 3.43Å; F416-S420 VanDerWaalsContact O-CB 3.25Å; F416-S420 WeakPolarHBondContact O-CB 3.5Å; F416-S420 PolarHBondContact O-N 3.48Å; F416-S420 PolarHBondContact O-OG 3.19Å; D417-S420 PolarHBondContact O-N 3.09Å; D417-S420 VanDerWaalsContact O-N 3.1Å
421H98.9Very high97.5Very high89 Ų8962.1 Ų62.141%0.41232%0.319SS..EExtended strand (participates in β ladder)trans-84125.5161.5177.2-125.3000109.6P99 E100 L102 R423P99-H421 WeakPolarHBondContact CA-O 3.36Å; E100-H421 HydrophobicContact CG-CB 3.9Å; E100-H421 PolarHBondContact N-O 2.98Å; E100-H421 PolarHBondContact O-N 3.03Å; E100-H421 IonicContact OE1-CE1 2.76Å; E100-H421 IonicContact OE1-CG 2.82Å; E100-H421 IonicContact OE1-ND1 2.61Å; E100-H421 PolarHBondContact OE1-ND1 2.88Å; L102-H421 HydrophobicContact CD2-CB 3.88Å; H421-R423 PolarHBondContact O-N 3.12Å
422Q98.6Very high96.7Very high60 Ų6064 Ų6428%0.2834%0.338SS..EExtended strand (participates in β ladder)trans-87.181.1178-61.3-61.8-32.100109.7V97 D417 P424V97-Q422 HydrophobicContact CG1-CB 3.75Å; D417-Q422 PolarHBondContact OD1-NE2 3.35Å; Q422-P424 VanDerWaalsContact O-CD 3.3Å; Q422-P424 WeakPolarHBondContact O-CD 3.36Å
423R98.7Very high96.4Very high107 Ų10768.9 Ų68.940%0.40436%0.361SS..EExtended strand (participates in β ladder)trans-75.8117.9-170.3-170.4173.771.2-167.910.1112V97 Q98 E100 H421V97-R423 WeakPolarHBondContact CA-O 3.44Å; Q98-R423 PolarHBondContact N-O 3.08Å; Q98-R423 WeakPolarHBondContact O-CB 3.2Å; Q98-R423 PolarHBondContact O-N 2.68Å; E100-R423 WeakPolarHBondContact OE1-CD 3.38Å; E100-R423 IonicContact OE1-NH1 3.57Å; E100-R423 IonicContact OE2-CZ 3.41Å; E100-R423 IonicContact OE2-NE 2.81Å; E100-R423 IonicContact OE2-NH1 3.64Å; E100-R423 PolarHBondContact OE2-NH1 3.25Å; H421-R423 PolarHBondContact O-N 3.12Å
424P98.4Very high95.8Very high99 Ų9969.4 Ų69.464%0.64337%0.373SS*.EExtended strand (participates in β ladder)trans-75.3133.717331.2-33.5000110.9Q422Q422-P424 VanDerWaalsContact O-CD 3.3Å; Q422-P424 WeakPolarHBondContact O-CD 3.36Å
425C98.6Very high95.1Very high20 Ų2068 Ų6814%0.13537%0.373CS..EExtended strand (participates in β ladder)trans-123130.1177.4-65.60000109.6A95 Y96A95-C425 WeakPolarHBondContact CA-O 3.5Å; Y96-C425 HydrophobicContact CD1-CB 4.14Å; Y96-C425 HydrophobicContact CD2-CB 3.84Å; Y96-C425 HydrophobicContact CE1-CB 3.78Å; Y96-C425 HydrophobicContact CE2-CB 3.43Å; Y96-C425 VanDerWaalsContact CE2-CB 3.43Å; Y96-C425 VanDerWaalsContact CE2-SG 3.53Å; Y96-C425 HydrophobicContact CG-CB 4.18Å; Y96-C425 PolarHBondContact N-O 2.94Å; Y96-C425 PolarHBondContact O-N 3.41Å
426L98.2Very high94.7Very high85 Ų8569.4 Ų69.445%0.44538%0.38SS..EExtended strand (participates in β ladder)trans-124.1110.4171.1178.470.1000108.4T90 D93 E94 A95 K428T90-L426 HydrophobicContact CG2-CD1 3.96Å; T90-L426 HydrophobicContact CG2-CD2 3.98Å; D93-L426 HydrophobicContact CB-CD1 3.65Å; E94-L426 CarbonylContact O-C 3.51Å; E94-L426 WeakPolarHBondContact O-CA 3.44Å; A95-L426 HydrophobicContact CB-CD1 4.09Å; L426-K428 HydrophobicContact CD2-CD 4.44Å; L426-K428 HydrophobicContact CD2-CG 4.37Å; L426-K428 HydrophobicContact CG-CG 4.24Å
427L97.8Very high94.3Very high86 Ų8675.2 Ų75.245%0.4541%0.406SS..EExtended strand (participates in β ladder)trans-102112.8178.5-50.2-178.1000109.2E94 Y96E94-L427 HydrophobicContact CB-CB 4.13Å; E94-L427 PolarHBondContact N-O 2.98Å; E94-L427 VanDerWaalsContact N-O 3.11Å; E94-L427 PolarHBondContact O-N 3.36Å; Y96-L427 HydrophobicContact CE1-CD1 3.93Å; Y96-L427 HydrophobicContact CE1-CG 4.2Å
428K95.6Very high93.7Very high95 Ų9574.6 Ų74.641%0.41340%0.402SS..  trans-100.3139.2176.2-55.8-171.469.673.50109.7D93 L426D93-K428 IonicContact OD1-NZ 2.57Å; D93-K428 PolarHBondContact OD1-NZ 3.28Å; D93-K428 IonicContact OD2-NZ 3.6Å; D93-K428 PolarHBondContact OD2-NZ 3.12Å; L426-K428 HydrophobicContact CD2-CD 4.44Å; L426-K428 HydrophobicContact CD2-CG 4.37Å; L426-K428 HydrophobicContact CG-CG 4.24Å
429G92.1Very high93.3Very high56 Ų5681 Ų8158%0.57742%0.421SS*.  trans-75.5163.4164.100000111.6K431G429-K431 PolarHBondContact O-N 3.36Å; G429-K431 VanDerWaalsContact O-N 3.15Å
430L93.5Very high93.1Very high184 Ų18484.9 Ų84.996%0.96344%0.437SS*.SBendtrans-80.323.9172.1-60.9177.4000113.2
431K88.6Confident92.8Very high196 Ų19690 Ų9085%0.85247%0.469SS*.  trans-103.4160.6179.1-65.3-178.6-178.91780110.1G429G429-K431 PolarHBondContact O-N 3.36Å; G429-K431 VanDerWaalsContact O-N 3.15Å
432G82.8Confident92.6Very high41 Ų4190.9 Ų90.942%0.42348%0.483SS..  trans76.720.8175.400000114.7S434 V435G432-S434 PolarHBondContact O-N 2.93Å; G432-V435 WeakPolarHBondContact O-CB 3.4Å; G432-V435 PolarHBondContact O-N 3.3Å
433E91.2Very high92.3Very high104 Ų10493.8 Ų93.849%0.48650%0.501SS..Hα-helixtrans-59.8-29.3-177.3-175.858.4-168.900113.6V435 N436 Y440E433-V435 VanDerWaalsContact C-N 3.27Å; E433-V435 PolarHBondContact O-N 2.83Å; E433-N436 WeakPolarHBondContact O-CB 3.38Å; E433-N436 PolarHBondContact O-N 2.78Å; E433-N436 VanDerWaalsContact O-N 3.1Å; E433-N436 PolarHBondContact OE2-ND2 3.07Å; E433-Y440 VanDerWaalsContact CD-OH 3.29Å; E433-Y440 WeakPolarHBondContact OE1-CE2 3.31Å; E433-Y440 VanDerWaalsContact OE1-CZ 3.25Å; E433-Y440 PolarHBondContact OE1-OH 2.85Å; E433-Y440 PolarHBondContact OE2-OH 3.33Å
434S86.8Confident92Very high75 Ų7591.1 Ų91.152%0.52450%0.498SS..Hα-helixtrans-60-35.9173.153.40000112.9G432 N436 K437G432-S434 PolarHBondContact O-N 2.93Å; S434-N436 VanDerWaalsContact C-N 3.26Å; S434-N436 PolarHBondContact O-N 2.95Å; S434-K437 VanDerWaalsContact O-CB 3.29Å; S434-K437 WeakPolarHBondContact O-CB 3.48Å; S434-K437 WeakPolarHBondContact O-CG 3.25Å; S434-K437 PolarHBondContact O-N 3.42Å
435V85.2Confident91.8Very high54 Ų5494.5 Ų94.533%0.32751%0.505SS..Hα-helixtrans-66.6-32.9177.3-176.40000110.5G432 E433 K437 L438 A477G432-V435 WeakPolarHBondContact O-CB 3.4Å; G432-V435 PolarHBondContact O-N 3.3Å; E433-V435 VanDerWaalsContact C-N 3.27Å; E433-V435 PolarHBondContact O-N 2.83Å; V435-K437 PolarHBondContact O-N 3.25Å; V435-L438 HydrophobicContact CG1-CD1 4.46Å; V435-L438 WeakPolarHBondContact O-CB 3.36Å; V435-L438 PolarHBondContact O-N 3.37Å; V435-A477 HydrophobicContact CG2-CB 4.47Å
436N89.7Confident91.3Very high28 Ų2896.6 Ų96.615%0.1552%0.52CS..Hα-helixtrans-66.1-16.3177.9-67.8-33.7000113.2E433 S434 L438 R439 Y440E433-N436 WeakPolarHBondContact O-CB 3.38Å; E433-N436 PolarHBondContact O-N 2.78Å; E433-N436 VanDerWaalsContact O-N 3.1Å; E433-N436 PolarHBondContact OE2-ND2 3.07Å; S434-N436 VanDerWaalsContact C-N 3.26Å; S434-N436 PolarHBondContact O-N 2.95Å; N436-L438 PolarHBondContact O-N 3.16Å; N436-L438 VanDerWaalsContact O-N 3.08Å; N436-R439 HydrophobicContact CB-CG 4.39Å; N436-R439 PolarHBondContact ND2-NH2 3.18Å; N436-R439 WeakPolarHBondContact O-CG 3.43Å; N436-R439 PolarHBondContact O-N 2.95Å; N436-R439 PolarHBondContact OD1-NE 2.92Å; N436-R439 PolarHBondContact OD1-NH2 2.93Å; N436-Y440 HydrophobicContact CB-CD2 4.25Å; N436-Y440 HydrophobicContact CB-CE1 4Å; N436-Y440 HydrophobicContact CB-CE2 3.47Å; N436-Y440 VanDerWaalsContact CB-CE2 3.47Å; N436-Y440 VanDerWaalsContact CB-OH 3.29Å; N436-Y440 WeakPolarHBondContact CB-OH 3.35Å; N436-Y440 PolarHBondContact ND2-OH 2.99Å; N436-Y440 WeakPolarHBondContact O-CD2 3.4Å; N436-Y440 VanDerWaalsContact O-CG 3.25Å; N436-Y440 PolarHBondContact O-N 3.43Å; N436-Y440 VanDerWaalsContact O-N 3.17Å
437K89.7Confident90.9Very high124 Ų12493.6 Ų93.654%0.53950%0.504SS..THydrogen-bonded Turntrans-54.9-28172-69.1-174.2175.5-170.60112.9S434 V435 R439 Y440 K447S434-K437 VanDerWaalsContact O-CB 3.29Å; S434-K437 WeakPolarHBondContact O-CB 3.48Å; S434-K437 WeakPolarHBondContact O-CG 3.25Å; S434-K437 PolarHBondContact O-N 3.42Å; V435-K437 PolarHBondContact O-N 3.25Å; K437-R439 VanDerWaalsContact C-N 3.27Å; K437-R439 PolarHBondContact O-N 3.43Å; K437-Y440 PolarHBondContact O-N 2.84Å; K437-K447 WeakPolarHBondContact O-CE 3.32Å; K437-K447 PolarHBondContact O-NZ 3.46Å
438L87.5Confident90.5Very high29 Ų2992.2 Ų92.215%0.15250%0.499CS..THydrogen-bonded Turntrans-64.9-28.3177.1-67.7168.6000113.1V435 N436 W450 A477V435-L438 HydrophobicContact CG1-CD1 4.46Å; V435-L438 WeakPolarHBondContact O-CB 3.36Å; V435-L438 PolarHBondContact O-N 3.37Å; N436-L438 PolarHBondContact O-N 3.16Å; N436-L438 VanDerWaalsContact O-N 3.08Å; L438-W450 HydrophobicContact CD1-CD2 3.8Å; L438-W450 HydrophobicContact CD1-CE3 3.97Å; L438-W450 HydrophobicContact CD1-CH2 3.78Å; L438-W450 HydrophobicContact CD1-CZ2 3.56Å; L438-W450 HydrophobicContact CD1-CZ3 3.97Å; L438-W450 HydrophobicContact CD2-CD2 4.07Å; L438-W450 HydrophobicContact CD2-CE3 4.39Å; L438-W450 HydrophobicContact CD2-CG 4.12Å; L438-W450 HydrophobicContact CG-CD2 4.48Å; L438-A477 HydrophobicContact CD1-CB 4.4Å
439R90.2Very high90.1Very high160 Ų16091 Ų9160%0.60450%0.502SS*.THydrogen-bonded Turntrans-99.2-12.1175.963.5169.6-175.4-179.82.6113.8N436 K437N436-R439 HydrophobicContact CB-CG 4.39Å; N436-R439 PolarHBondContact ND2-NH2 3.18Å; N436-R439 WeakPolarHBondContact O-CG 3.43Å; N436-R439 PolarHBondContact O-N 2.95Å; N436-R439 PolarHBondContact OD1-NE 2.92Å; N436-R439 PolarHBondContact OD1-NH2 2.93Å; K437-R439 VanDerWaalsContact C-N 3.27Å; K437-R439 PolarHBondContact O-N 3.43Å
440Y93.9Very high89.7Confident81 Ų8189.7 Ų89.732%0.31848%0.48SS..SBendtrans-83.7149.2-179.6-61.2-28.5000112.5E433 N436 K437 K447E433-Y440 VanDerWaalsContact CD-OH 3.29Å; E433-Y440 WeakPolarHBondContact OE1-CE2 3.31Å; E433-Y440 VanDerWaalsContact OE1-CZ 3.25Å; E433-Y440 PolarHBondContact OE1-OH 2.85Å; E433-Y440 PolarHBondContact OE2-OH 3.33Å; N436-Y440 HydrophobicContact CB-CD2 4.25Å; N436-Y440 HydrophobicContact CB-CE1 4Å; N436-Y440 HydrophobicContact CB-CE2 3.47Å; N436-Y440 VanDerWaalsContact CB-CE2 3.47Å; N436-Y440 VanDerWaalsContact CB-OH 3.29Å; N436-Y440 WeakPolarHBondContact CB-OH 3.35Å; N436-Y440 PolarHBondContact ND2-OH 2.99Å; N436-Y440 WeakPolarHBondContact O-CD2 3.4Å; N436-Y440 VanDerWaalsContact O-CG 3.25Å; N436-Y440 PolarHBondContact O-N 3.43Å; N436-Y440 VanDerWaalsContact O-N 3.17Å; K437-Y440 PolarHBondContact O-N 2.84Å; Y440-K447 PolarHBondContact O-NZ 3.49Å
441P94.1Very high89.2Confident116 Ų11682.5 Ų82.575%0.75345%0.447SS*.SBendtrans-63.6159166-22.534.7000113.4
442P93.6Very high89Confident109 Ų10979.1 Ų79.171%0.70843%0.432SS*.SBendcis-71151.9-7.730.9-34.8000111.5K447P442-K447 PolarHBondContact O-NZ 3.16Å
443N91.9Very high89Confident121 Ų12181.4 Ų81.465%0.64743%0.431SS*.PPolyproline II helixtrans-79.8161.5176.8-154.6-2.7000110.8
444S93.9Very high88.3Confident51 Ų5177.7 Ų77.736%0.35741%0.413SS..  trans-152.7158.7176.4690000111.5S446 K447 V448S444-S446 PolarHBondContact O-N 3.34Å; S444-K447 PolarHBondContact O-N 3.46Å; S444-K447 PolarHBondContact OG-N 3.21Å; S444-V448 PolarHBondContact O-N 2.6Å; S444-V448 VanDerWaalsContact O-N 3.09Å
445E92.3Very high87.9Confident169 Ų16978.2 Ų78.279%0.7941%0.409SS*.Hα-helixtrans-56.4-33.5173.4-65.8-171.9167.200112.1V448 S449E445-V448 PolarHBondContact O-N 3.32Å; E445-S449 VanDerWaalsContact O-CB 3.29Å; E445-S449 WeakPolarHBondContact O-CB 3.26Å; E445-S449 PolarHBondContact O-N 3.23Å; E445-S449 PolarHBondContact O-OG 2.78Å
446S89.2Confident87.6Confident64 Ų6482 Ų8245%0.44843%0.427SS..Hα-helixtrans-63.5-44.8174.4-174.40000112.3S444 S449 W450S444-S446 PolarHBondContact O-N 3.34Å; S446-S449 PolarHBondContact O-N 3.06Å; S446-W450 WeakPolarHBondContact O-CB 3.35Å; S446-W450 PolarHBondContact O-N 3.01Å
447K89.2Confident86.5Confident22 Ų2286.2 Ų86.210%0.09644%0.444CS..Hα-helixtrans-64.3-41.7177.6-73.7178.5179.8179.50111.4K437 Y440 P442 S444 W450 A451K437-K447 WeakPolarHBondContact O-CE 3.32Å; K437-K447 PolarHBondContact O-NZ 3.46Å; Y440-K447 PolarHBondContact O-NZ 3.49Å; P442-K447 PolarHBondContact O-NZ 3.16Å; S444-K447 PolarHBondContact O-N 3.46Å; S444-K447 PolarHBondContact OG-N 3.21Å; K447-W450 PolarHBondContact O-N 2.93Å; K447-A451 PolarHBondContact O-N 3.21Å
448V88.9Confident84.7Confident57 Ų5789.7 Ų89.735%0.34546%0.462SS..Hα-helixtrans-65.3-42.7176.5175.60000111.3S444 E445 A451 K452S444-V448 PolarHBondContact O-N 2.6Å; S444-V448 VanDerWaalsContact O-N 3.09Å; E445-V448 PolarHBondContact O-N 3.32Å; V448-A451 PolarHBondContact O-N 2.91Å; V448-K452 HydrophobicContact CG1-CD 4.31Å; V448-K452 WeakPolarHBondContact O-CG 3.43Å; V448-K452 PolarHBondContact O-N 3.29Å
449S87.4Confident83.2Confident70 Ų7092 Ų9249%0.4947%0.471SS..Hα-helixtrans-65.5-40.3178.3-61.40000111.9E445 S446 K452 F453E445-S449 VanDerWaalsContact O-CB 3.29Å; E445-S449 WeakPolarHBondContact O-CB 3.26Å; E445-S449 PolarHBondContact O-N 3.23Å; E445-S449 PolarHBondContact O-OG 2.78Å; S446-S449 PolarHBondContact O-N 3.06Å; S449-K452 PolarHBondContact O-N 3.11Å; S449-F453 WeakPolarHBondContact O-CB 3.33Å; S449-F453 PolarHBondContact O-N 3.05Å
450W84.3Confident81.2Confident29 Ų2992.2 Ų92.211%0.1148%0.484CS..Hα-helixtrans-57.7-50.8170.6-177.396.5000110.8L89 L438 S446 K447 K452 F453 F454 V473L89-W450 HydrophobicContact CD2-CH2 4.43Å; L438-W450 HydrophobicContact CD1-CD2 3.8Å; L438-W450 HydrophobicContact CD1-CE3 3.97Å; L438-W450 HydrophobicContact CD1-CH2 3.78Å; L438-W450 HydrophobicContact CD1-CZ2 3.56Å; L438-W450 HydrophobicContact CD1-CZ3 3.97Å; L438-W450 HydrophobicContact CD2-CD2 4.07Å; L438-W450 HydrophobicContact CD2-CE3 4.39Å; L438-W450 HydrophobicContact CD2-CG 4.12Å; L438-W450 HydrophobicContact CG-CD2 4.48Å; S446-W450 WeakPolarHBondContact O-CB 3.35Å; S446-W450 PolarHBondContact O-N 3.01Å; K447-W450 PolarHBondContact O-N 2.93Å; W450-K452 VanDerWaalsContact C-N 3.34Å; W450-K452 PolarHBondContact O-N 3.2Å; W450-F453 PolarHBondContact O-N 2.64Å; W450-F453 VanDerWaalsContact O-N 3.1Å; W450-F454 AromaticContact CD1-CD2 3.4Å; W450-F454 AromaticContact CD1-CE2 3.35Å; W450-F454 HydrophobicContact CD2-CB 4.44Å; W450-F454 AromaticContact CD2-CD2 3.7Å; W450-F454 HydrophobicContact CD2-CD2 3.7Å; W450-F454 HydrophobicContact CD2-CE2 4.42Å; W450-F454 HydrophobicContact CD2-CG 4.34Å; W450-F454 AromaticContact CE2-CD2 3.36Å; W450-F454 AromaticContact CE2-CE2 3.91Å; W450-F454 AromaticContact CE2-CG 3.82Å; W450-F454 AromaticContact CG-CD2 3.67Å; W450-F454 HydrophobicContact CG-CD2 3.67Å; W450-F454 HydrophobicContact CG-CE2 4.07Å; W450-F454 HydrophobicContact CH2-CB 4.15Å; W450-F454 HydrophobicContact CZ2-CB 4.01Å; W450-F454 AromaticContact CZ2-CD2 3.96Å; W450-F454 HydrophobicContact CZ2-CD2 3.96Å; W450-F454 AromaticContact CZ2-CG 3.92Å; W450-F454 HydrophobicContact CZ2-CG 3.92Å; W450-F454 HydrophobicContact CZ3-CB 4.44Å; W450-F454 AromaticContact NE1-CD2 3.2Å; W450-F454 AromaticContact NE1-CE2 3.23Å; W450-F454 VanDerWaalsContact O-CD2 3.29Å; W450-F454 WeakPolarHBondContact O-CD2 3.37Å; W450-F454 PolarHBondContact O-N 3.08Å; W450-V473 HydrophobicContact CZ2-CG1 3.87Å; W450-V473 HydrophobicContact CZ2-CG2 4.38Å
451A83.9Confident79.2Confident32 Ų3293.4 Ų93.426%0.26449%0.491SS..Hα-helixtrans-59.4-43.6179.200000112K447 V448 F453 F454 L455K447-A451 PolarHBondContact O-N 3.21Å; V448-A451 PolarHBondContact O-N 2.91Å; A451-F453 VanDerWaalsContact C-N 3.34Å; A451-F453 PolarHBondContact O-N 2.99Å; A451-F454 PolarHBondContact O-N 3.35Å; A451-L455 HydrophobicContact CB-CD1 4.26Å; A451-L455 WeakPolarHBondContact O-CA 3.42Å; A451-L455 VanDerWaalsContact O-CB 3.25Å; A451-L455 WeakPolarHBondContact O-CB 3.24Å; A451-L455 PolarHBondContact O-N 3.14Å
452K83.1Confident77.4Confident126 Ų12690.8 Ų90.855%0.54849%0.485SS..Iπ-helixtrans-59.3-43.4174.5-73.3176.7178.3178.50111.8V448 S449 W450 L456V448-K452 HydrophobicContact CG1-CD 4.31Å; V448-K452 WeakPolarHBondContact O-CG 3.43Å; V448-K452 PolarHBondContact O-N 3.29Å; S449-K452 PolarHBondContact O-N 3.11Å; W450-K452 VanDerWaalsContact C-N 3.34Å; W450-K452 PolarHBondContact O-N 3.2Å; K452-L456 HydrophobicContact CB-CD1 4.34Å; K452-L456 HydrophobicContact CG-CD1 4.09Å; K452-L456 WeakPolarHBondContact O-CB 3.29Å; K452-L456 PolarHBondContact O-N 3.34Å
453F82.8Confident75.5Confident89 Ų8996.6 Ų96.639%0.3949%0.493SS..Iπ-helixtrans-69.3-44-179.4-174.5-88000112.7S449 W450 A451 K457 F459S449-F453 WeakPolarHBondContact O-CB 3.33Å; S449-F453 PolarHBondContact O-N 3.05Å; W450-F453 PolarHBondContact O-N 2.64Å; W450-F453 VanDerWaalsContact O-N 3.1Å; A451-F453 VanDerWaalsContact C-N 3.34Å; A451-F453 PolarHBondContact O-N 2.99Å; F453-K457 HydrophobicContact CD2-CD 4.15Å; F453-K457 HydrophobicContact CE2-CD 4.27Å; F453-K457 VanDerWaalsContact O-CB 3.31Å; F453-K457 WeakPolarHBondContact O-CB 3.39Å; F453-K457 WeakPolarHBondContact O-CG 3.46Å; F453-F459 HydrophobicContact CE1-CE2 4.16Å; F453-F459 AromaticContact CE1-CZ 3.96Å; F453-F459 HydrophobicContact CE1-CZ 3.96Å; F453-F459 AromaticContact CZ-CZ 3.94Å; F453-F459 HydrophobicContact CZ-CZ 3.94Å
454F77.9Confident73.5Confident25 Ų2597.2 Ų97.211%0.1150%0.496CS..Iπ-helixtrans-94-28.2-169.3-74.2-81.4000114.4L88 W450 A451 F469 V473 A476L88-F454 HydrophobicContact CD2-CB 4.31Å; W450-F454 AromaticContact CD1-CD2 3.4Å; W450-F454 AromaticContact CD1-CE2 3.35Å; W450-F454 HydrophobicContact CD2-CB 4.44Å; W450-F454 AromaticContact CD2-CD2 3.7Å; W450-F454 HydrophobicContact CD2-CD2 3.7Å; W450-F454 HydrophobicContact CD2-CE2 4.42Å; W450-F454 HydrophobicContact CD2-CG 4.34Å; W450-F454 AromaticContact CE2-CD2 3.36Å; W450-F454 AromaticContact CE2-CE2 3.91Å; W450-F454 AromaticContact CE2-CG 3.82Å; W450-F454 AromaticContact CG-CD2 3.67Å; W450-F454 HydrophobicContact CG-CD2 3.67Å; W450-F454 HydrophobicContact CG-CE2 4.07Å; W450-F454 HydrophobicContact CH2-CB 4.15Å; W450-F454 HydrophobicContact CZ2-CB 4.01Å; W450-F454 AromaticContact CZ2-CD2 3.96Å; W450-F454 HydrophobicContact CZ2-CD2 3.96Å; W450-F454 AromaticContact CZ2-CG 3.92Å; W450-F454 HydrophobicContact CZ2-CG 3.92Å; W450-F454 HydrophobicContact CZ3-CB 4.44Å; W450-F454 AromaticContact NE1-CD2 3.2Å; W450-F454 AromaticContact NE1-CE2 3.23Å; W450-F454 VanDerWaalsContact O-CD2 3.29Å; W450-F454 WeakPolarHBondContact O-CD2 3.37Å; W450-F454 PolarHBondContact O-N 3.08Å; A451-F454 PolarHBondContact O-N 3.35Å; F454-F469 HydrophobicContact CB-CZ 4.48Å; F454-F469 AromaticContact CD1-CE1 3.6Å; F454-F469 HydrophobicContact CD1-CE1 3.6Å; F454-F469 AromaticContact CD1-CE2 3.81Å; F454-F469 HydrophobicContact CD1-CE2 3.81Å; F454-F469 AromaticContact CD1-CZ 3.17Å; F454-F469 HydrophobicContact CD1-CZ 3.17Å; F454-F469 HydrophobicContact CE1-CE1 4.25Å; F454-F469 AromaticContact CE1-CE2 3.77Å; F454-F469 HydrophobicContact CE1-CE2 3.77Å; F454-F469 AromaticContact CE1-CZ 3.65Å; F454-F469 HydrophobicContact CE1-CZ 3.65Å; F454-F469 HydrophobicContact CG-CZ 4.19Å; F454-V473 HydrophobicContact CD1-CG2 3.32Å; F454-V473 HydrophobicContact CE1-CG2 3.44Å; F454-V473 VanDerWaalsContact CE1-CG2 3.44Å; F454-V473 HydrophobicContact CG-CG2 4.21Å; F454-V473 HydrophobicContact CZ-CG2 4.37Å; F454-A476 HydrophobicContact CZ-CB 4.37Å
455L78.1Confident71.9Confident86 Ų8695.6 Ų95.645%0.4549%0.487SS..Iπ-helixtrans-101.5-27.7-177.2-56179000113.4L88 L89 A451L88-L455 HydrophobicContact CD2-CD2 4.44Å; L89-L455 HydrophobicContact CD1-CD1 4.42Å; L89-L455 HydrophobicContact CD1-CD2 4.14Å; L89-L455 HydrophobicContact CD2-CD2 4.12Å; L89-L455 HydrophobicContact CG-CD2 4.03Å; A451-L455 HydrophobicContact CB-CD1 4.26Å; A451-L455 WeakPolarHBondContact O-CA 3.42Å; A451-L455 VanDerWaalsContact O-CB 3.25Å; A451-L455 WeakPolarHBondContact O-CB 3.24Å; A451-L455 PolarHBondContact O-N 3.14Å
456L78Confident70.2Confident133 Ų13391.9 Ų91.970%0.69647%0.47SS*.Iπ-helixtrans-98.8-24.2-177.9-54.9178.9000113.8K452 Q458K452-L456 HydrophobicContact CB-CD1 4.34Å; K452-L456 HydrophobicContact CG-CD1 4.09Å; K452-L456 WeakPolarHBondContact O-CB 3.29Å; K452-L456 PolarHBondContact O-N 3.34Å; L456-Q458 PolarHBondContact O-N 3.33Å
457K65.8Low68.7Low118 Ų11894 Ų9451%0.51348%0.476SS..SBendtrans-75.9114.9173.3-68.8-166.1172.2-172.60109.6F453 F459F453-K457 HydrophobicContact CD2-CD 4.15Å; F453-K457 HydrophobicContact CE2-CD 4.27Å; F453-K457 VanDerWaalsContact O-CB 3.31Å; F453-K457 WeakPolarHBondContact O-CB 3.39Å; F453-K457 WeakPolarHBondContact O-CG 3.46Å; K457-F459 HydrophobicContact CB-CD2 3.91Å; K457-F459 HydrophobicContact CB-CE2 3.62Å; K457-F459 HydrophobicContact CB-CZ 4.34Å; K457-F459 HydrophobicContact CD-CE2 4.19Å; K457-F459 HydrophobicContact CD-CZ 4.19Å; K457-F459 HydrophobicContact CG-CE2 4.5Å; K457-F459 WeakPolarHBondContact O-CD2 3.34Å; K457-F459 PolarHBondContact O-N 2.9Å
458Q53.3Low67.3Low196 Ų19698.1 Ų98.192%0.91650%0.499SS*.  trans-67.783.7168.8-70.1-173.5-3.800109.5L456 N460L456-Q458 PolarHBondContact O-N 3.33Å; Q458-N460 PolarHBondContact O-N 3.24Å
459F56Low65.9Low79 Ų7996.3 Ų96.335%0.34649%0.486SS..  trans-7097.6167.7-76.1-80.3000108.3F453 K457 K461 F469F453-F459 HydrophobicContact CE1-CE2 4.16Å; F453-F459 AromaticContact CE1-CZ 3.96Å; F453-F459 HydrophobicContact CE1-CZ 3.96Å; F453-F459 AromaticContact CZ-CZ 3.94Å; F453-F459 HydrophobicContact CZ-CZ 3.94Å; K457-F459 HydrophobicContact CB-CD2 3.91Å; K457-F459 HydrophobicContact CB-CE2 3.62Å; K457-F459 HydrophobicContact CB-CZ 4.34Å; K457-F459 HydrophobicContact CD-CE2 4.19Å; K457-F459 HydrophobicContact CD-CZ 4.19Å; K457-F459 HydrophobicContact CG-CE2 4.5Å; K457-F459 WeakPolarHBondContact O-CD2 3.34Å; K457-F459 PolarHBondContact O-N 2.9Å; F459-K461 PolarHBondContact O-N 3.47Å; F459-F469 HydrophobicContact CD1-CE2 4.35Å; F459-F469 HydrophobicContact CD2-CD2 4.36Å; F459-F469 HydrophobicContact CD2-CE1 4.24Å; F459-F469 AromaticContact CD2-CE2 3.47Å; F459-F469 HydrophobicContact CD2-CE2 3.47Å; F459-F469 VanDerWaalsContact CD2-CE2 3.47Å; F459-F469 AromaticContact CD2-CZ 3.36Å; F459-F469 HydrophobicContact CD2-CZ 3.36Å; F459-F469 HydrophobicContact CE1-CE2 4.27Å; F459-F469 AromaticContact CE2-CE2 3.38Å; F459-F469 HydrophobicContact CE2-CE2 3.38Å; F459-F469 AromaticContact CE2-CZ 3.45Å; F459-F469 HydrophobicContact CE2-CZ 3.45Å; F459-F469 VanDerWaalsContact CE2-CZ 3.45Å; F459-F469 HydrophobicContact CG-CD2 4.47Å; F459-F469 AromaticContact CG-CE2 3.97Å; F459-F469 HydrophobicContact CG-CE2 3.97Å; F459-F469 HydrophobicContact CG-CZ 4.18Å; F459-F469 AromaticContact CZ-CE2 3.8Å; F459-F469 HydrophobicContact CZ-CE2 3.8Å; F459-F469 HydrophobicContact CZ-CZ 4.32Å
460N48.5Very low64.7Low164 Ų16494.3 Ų94.388%0.87747%0.471SS*.  trans-69.893.4176.7-160.111.5000109.1Q458Q458-N460 PolarHBondContact O-N 3.24Å
461K51.7Low63.7Low105 Ų10596.5 Ų96.546%0.45749%0.49SS..  trans-144.7122.4-174.6-69.9-170.1-179.5-176.60112.3F459F459-K461 PolarHBondContact O-N 3.47Å
462G55.8Low62.7Low61 Ų6199.8 Ų99.863%0.62950%0.503SS*.  trans-57.9177.2165.100000112.6L464 G465 M466G462-L464 PolarHBondContact O-N 3.07Å; G462-G465 PolarHBondContact O-N 3.01Å; G462-M466 PolarHBondContact O-N 3.24Å
463R53.5Low61.7Low231 Ų23194.5 Ų94.587%0.87248%0.481SS*.Hα-helixtrans-44.3-41-169.7-80.2-178.2171.9176.5-2.8115L467R463-L467 PolarHBondContact O-N 3.48Å
464L51.2Low60.8Low135 Ų13592.6 Ų92.671%0.70748%0.482SS*.Hα-helixtrans-70.5-38.9-177.5-157.576.2000113.3G462 M466 L467 L468G462-L464 PolarHBondContact O-N 3.07Å; L464-M466 VanDerWaalsContact C-N 3.32Å; L464-L467 PolarHBondContact O-N 3.04Å; L464-L468 PolarHBondContact O-N 2.87Å
465G58.7Low60.1Low16 Ų1695.2 Ų95.217%0.16550%0.499CS..Hα-helixtrans-76.9-22.518000000113G462 F469G462-G465 PolarHBondContact O-N 3.01Å; G465-F469 VanDerWaalsContact O-CB 3.28Å; G465-F469 WeakPolarHBondContact O-CB 3.38Å; G465-F469 PolarHBondContact O-N 3.29Å
466M57.7Low59.2Low91 Ų9192.2 Ų92.245%0.44849%0.487SS..Hα-helixtrans-72.8-40.9171.9-165.8178.2-67.600111.5M91 G462 L464 F469 V470M91-M466 HydrophobicContact CE-CG 3.34Å; M91-M466 HydrophobicContact CE-SD 3.55Å; M91-M466 VanDerWaalsContact CE-SD 3.55Å; M91-M466 HydrophobicContact SD-CG 3.74Å; M91-M466 HydrophobicContact SD-SD 3.8Å; G462-M466 PolarHBondContact O-N 3.24Å; L464-M466 VanDerWaalsContact C-N 3.32Å; M466-F469 PolarHBondContact O-N 3.26Å; M466-V470 WeakPolarHBondContact O-CG2 3.28Å; M466-V470 PolarHBondContact O-N 3.27Å
467L57.9Low58.3Low108 Ų10886.7 Ų86.757%0.56546%0.461SS*.Hα-helixtrans-62.3-48.3173.9-92.9151.6000112.8R463 L464 F469 V470 C471R463-L467 PolarHBondContact O-N 3.48Å; L464-L467 PolarHBondContact O-N 3.04Å; L467-F469 PolarHBondContact O-N 3.48Å; L467-V470 PolarHBondContact O-N 3.17Å; L467-C471 PolarHBondContact O-N 3.41Å; L467-C471 PolarHBondContact O-SG 2.9Å
468L58.1Low58.1Low110 Ų11085.2 Ų85.258%0.57646%0.461SS*.Hα-helixtrans-59.4-35.8174.6-85.1157.8000112.3L464 C471 L472L464-L468 PolarHBondContact O-N 2.87Å; L468-C471 PolarHBondContact O-N 2.95Å; L468-L472 WeakPolarHBondContact O-CG 3.41Å; L468-L472 PolarHBondContact O-N 2.63Å
469F59.8Low58.1Low19 Ų1980.3 Ų80.38%0.08344%0.44CS..Hα-helixtrans-72.2-37.4178.2-165.4-109.8000112.7L88 F454 F459 G465 M466 L467 C471 L472 V473L88-F469 HydrophobicContact CD1-CD1 3.82Å; L88-F469 HydrophobicContact CD1-CE1 4.16Å; L88-F469 HydrophobicContact CD2-CD1 4.21Å; L88-F469 HydrophobicContact CD2-CE1 3.67Å; F454-F469 HydrophobicContact CB-CZ 4.48Å; F454-F469 AromaticContact CD1-CE1 3.6Å; F454-F469 HydrophobicContact CD1-CE1 3.6Å; F454-F469 AromaticContact CD1-CE2 3.81Å; F454-F469 HydrophobicContact CD1-CE2 3.81Å; F454-F469 AromaticContact CD1-CZ 3.17Å; F454-F469 HydrophobicContact CD1-CZ 3.17Å; F454-F469 HydrophobicContact CE1-CE1 4.25Å; F454-F469 AromaticContact CE1-CE2 3.77Å; F454-F469 HydrophobicContact CE1-CE2 3.77Å; F454-F469 AromaticContact CE1-CZ 3.65Å; F454-F469 HydrophobicContact CE1-CZ 3.65Å; F454-F469 HydrophobicContact CG-CZ 4.19Å; F459-F469 HydrophobicContact CD1-CE2 4.35Å; F459-F469 HydrophobicContact CD2-CD2 4.36Å; F459-F469 HydrophobicContact CD2-CE1 4.24Å; F459-F469 AromaticContact CD2-CE2 3.47Å; F459-F469 HydrophobicContact CD2-CE2 3.47Å; F459-F469 VanDerWaalsContact CD2-CE2 3.47Å; F459-F469 AromaticContact CD2-CZ 3.36Å; F459-F469 HydrophobicContact CD2-CZ 3.36Å; F459-F469 HydrophobicContact CE1-CE2 4.27Å; F459-F469 AromaticContact CE2-CE2 3.38Å; F459-F469 HydrophobicContact CE2-CE2 3.38Å; F459-F469 AromaticContact CE2-CZ 3.45Å; F459-F469 HydrophobicContact CE2-CZ 3.45Å; F459-F469 VanDerWaalsContact CE2-CZ 3.45Å; F459-F469 HydrophobicContact CG-CD2 4.47Å; F459-F469 AromaticContact CG-CE2 3.97Å; F459-F469 HydrophobicContact CG-CE2 3.97Å; F459-F469 HydrophobicContact CG-CZ 4.18Å; F459-F469 AromaticContact CZ-CE2 3.8Å; F459-F469 HydrophobicContact CZ-CE2 3.8Å; F459-F469 HydrophobicContact CZ-CZ 4.32Å; G465-F469 VanDerWaalsContact O-CB 3.28Å; G465-F469 WeakPolarHBondContact O-CB 3.38Å; G465-F469 PolarHBondContact O-N 3.29Å; M466-F469 PolarHBondContact O-N 3.26Å; L467-F469 PolarHBondContact O-N 3.48Å; F469-C471 VanDerWaalsContact C-N 3.33Å; F469-L472 PolarHBondContact O-N 2.81Å; F469-V473 HydrophobicContact CD1-CG2 4.25Å; F469-V473 HydrophobicContact CE1-CG2 4.22Å; F469-V473 WeakPolarHBondContact O-CG2 3.31Å; F469-V473 PolarHBondContact O-N 3.25Å
470V63Low58Low28 Ų2878.3 Ų78.317%0.1743%0.434CS..Hα-helixtrans-63-40.8171.7172.40000111.2L88 M91 M92 M466 L467 L472 V473 A474L88-V470 HydrophobicContact CD1-CG2 4.07Å; M91-V470 HydrophobicContact CE-CG2 3.45Å; M91-V470 VanDerWaalsContact CE-CG2 3.45Å; M91-V470 HydrophobicContact SD-CG2 3.49Å; M91-V470 WeakPolarHBondContact SD-CG2 3.18Å; M92-V470 HydrophobicContact CE-CG1 3.75Å; M466-V470 WeakPolarHBondContact O-CG2 3.28Å; M466-V470 PolarHBondContact O-N 3.27Å; L467-V470 PolarHBondContact O-N 3.17Å; V470-L472 VanDerWaalsContact C-N 3.34Å; V470-L472 PolarHBondContact O-N 3.13Å; V470-V473 PolarHBondContact O-N 3.06Å; V470-A474 WeakPolarHBondContact O-CB 3.48Å; V470-A474 PolarHBondContact O-N 3.32Å
471C62.9Low58.1Low75 Ų7577.3 Ų77.351%0.50742%0.422SS..Hα-helixtrans-60.7-43.8172.7-67.10000111.4L467 L468 F469 V473 A474 V475L467-C471 PolarHBondContact O-N 3.41Å; L467-C471 PolarHBondContact O-SG 2.9Å; L468-C471 PolarHBondContact O-N 2.95Å; F469-C471 VanDerWaalsContact C-N 3.33Å; C471-V473 PolarHBondContact O-N 3.06Å; C471-A474 PolarHBondContact O-N 2.85Å; C471-V475 WeakPolarHBondContact O-CB 3.38Å; C471-V475 WeakPolarHBondContact O-CG2 3.34Å; C471-V475 PolarHBondContact O-N 3.22Å
472L63.3Low57.7Low101 Ų10178.6 Ų78.653%0.52943%0.434SS..Hα-helixtrans-63.8-37.9175.8-76.4164.5000112.9L468 F469 V470 A476L468-L472 WeakPolarHBondContact O-CG 3.41Å; L468-L472 PolarHBondContact O-N 2.63Å; F469-L472 PolarHBondContact O-N 2.81Å; V470-L472 VanDerWaalsContact C-N 3.34Å; V470-L472 PolarHBondContact O-N 3.13Å; L472-A476 VanDerWaalsContact O-CB 3.24Å; L472-A476 WeakPolarHBondContact O-CB 3.47Å; L472-A476 PolarHBondContact O-N 3.4Å
473V62.5Low57.1Low15 Ų1583.6 Ų83.69%0.09144%0.441CS..Hα-helixtrans-65.4-45.6174.8163.80000111.2L88 W450 F454 F469 V470 C471 V475 A476 A477L88-V473 HydrophobicContact CD1-CG2 4.45Å; L88-V473 HydrophobicContact CD2-CG2 4.22Å; W450-V473 HydrophobicContact CZ2-CG1 3.87Å; W450-V473 HydrophobicContact CZ2-CG2 4.38Å; F454-V473 HydrophobicContact CD1-CG2 3.32Å; F454-V473 HydrophobicContact CE1-CG2 3.44Å; F454-V473 VanDerWaalsContact CE1-CG2 3.44Å; F454-V473 HydrophobicContact CG-CG2 4.21Å; F454-V473 HydrophobicContact CZ-CG2 4.37Å; F469-V473 HydrophobicContact CD1-CG2 4.25Å; F469-V473 HydrophobicContact CE1-CG2 4.22Å; F469-V473 WeakPolarHBondContact O-CG2 3.31Å; F469-V473 PolarHBondContact O-N 3.25Å; V470-V473 PolarHBondContact O-N 3.06Å; C471-V473 PolarHBondContact O-N 3.06Å; V473-V475 VanDerWaalsContact C-N 3.34Å; V473-A476 PolarHBondContact O-N 3.47Å; V473-A477 WeakPolarHBondContact O-CB 3.43Å; V473-A477 PolarHBondContact O-N 3.03Å
474A63.8Low56.6Low49 Ų4982 Ų8241%0.40545%0.448SS..Hα-helixtrans-62.6-42.9177.500000111.2V470 C471 A477 V478V470-A474 WeakPolarHBondContact O-CB 3.48Å; V470-A474 PolarHBondContact O-N 3.32Å; C471-A474 PolarHBondContact O-N 2.85Å; A474-A477 PolarHBondContact O-N 3.48Å; A474-V478 VanDerWaalsContact O-CG2 3.32Å; A474-V478 WeakPolarHBondContact O-CG2 3.19Å; A474-V478 PolarHBondContact O-N 3.07Å; A474-V478 VanDerWaalsContact O-N 3.09Å
475V62.5Low56.9Low80 Ų8079.3 Ų79.349%0.48544%0.436SS..Hα-helixtrans-65.5-45176.1171.20000111.2C471 V473 A477 V478 I479C471-V475 WeakPolarHBondContact O-CB 3.38Å; C471-V475 WeakPolarHBondContact O-CG2 3.34Å; C471-V475 PolarHBondContact O-N 3.22Å; V473-V475 VanDerWaalsContact C-N 3.34Å; V475-A477 PolarHBondContact O-N 3.14Å; V475-V478 PolarHBondContact O-N 3.06Å; V475-V478 VanDerWaalsContact O-N 3.15Å; V475-I479 HydrophobicContact CG1-CD1 3.72Å; V475-I479 HydrophobicContact CG1-CG1 4.38Å; V475-I479 WeakPolarHBondContact O-CG1 3.27Å; V475-I479 PolarHBondContact O-N 2.92Å
476A59.9Low56.8Low23 Ų2382.6 Ų82.619%0.1945%0.45CS..Hα-helixtrans-64-38.4177.400000112.4F454 L472 V473 V478 I479 V480F454-A476 HydrophobicContact CZ-CB 4.37Å; L472-A476 VanDerWaalsContact O-CB 3.24Å; L472-A476 WeakPolarHBondContact O-CB 3.47Å; L472-A476 PolarHBondContact O-N 3.4Å; V473-A476 PolarHBondContact O-N 3.47Å; A476-V478 VanDerWaalsContact C-N 3.27Å; A476-V478 PolarHBondContact O-N 3.38Å; A476-I479 PolarHBondContact O-N 3.26Å; A476-V480 VanDerWaalsContact O-CG2 3.32Å; A476-V480 WeakPolarHBondContact O-CG2 3.25Å; A476-V480 PolarHBondContact O-N 2.92Å
477A59.5Low56.8Low17 Ų1782.2 Ų82.214%0.1445%0.45CS..Hα-helixtrans-66.3-29.917500000112.6V435 L438 V473 A474 V475V435-A477 HydrophobicContact CG2-CB 4.47Å; L438-A477 HydrophobicContact CD1-CB 4.4Å; V473-A477 WeakPolarHBondContact O-CB 3.43Å; V473-A477 PolarHBondContact O-N 3.03Å; A474-A477 PolarHBondContact O-N 3.48Å; V475-A477 PolarHBondContact O-N 3.14Å
478V59.8Low56.7Low86 Ų8680.6 Ų80.652%0.52144%0.443SS..Hα-helixtrans-74.3-40.3171.11730000111A474 V475 A476 V480 K481A474-V478 VanDerWaalsContact O-CG2 3.32Å; A474-V478 WeakPolarHBondContact O-CG2 3.19Å; A474-V478 PolarHBondContact O-N 3.07Å; A474-V478 VanDerWaalsContact O-N 3.09Å; V475-V478 PolarHBondContact O-N 3.06Å; V475-V478 VanDerWaalsContact O-N 3.15Å; A476-V478 VanDerWaalsContact C-N 3.27Å; A476-V478 PolarHBondContact O-N 3.38Å; V478-V480 PolarHBondContact O-N 3.35Å; V478-K481 WeakPolarHBondContact O-CB 3.33Å; V478-K481 PolarHBondContact O-N 2.93Å
479I55.1Low56.6Low93 Ų9378.8 Ų78.848%0.47744%0.435SS..Hα-helixtrans-66.9-36.3178.8-67.9166.9000112V475 A476 K481 D482V475-I479 HydrophobicContact CG1-CD1 3.72Å; V475-I479 HydrophobicContact CG1-CG1 4.38Å; V475-I479 WeakPolarHBondContact O-CG1 3.27Å; V475-I479 PolarHBondContact O-N 2.92Å; A476-I479 PolarHBondContact O-N 3.26Å; I479-K481 PolarHBondContact O-N 2.87Å; I479-K481 VanDerWaalsContact O-N 3.17Å; I479-D482 PolarHBondContact O-N 2.63Å
480V54Low56.4Low37 Ų3782.8 Ų82.822%0.22446%0.458CS..G310 helixtrans-62.4-20.8173.31720000112A476 V478 D482A476-V480 VanDerWaalsContact O-CG2 3.32Å; A476-V480 WeakPolarHBondContact O-CG2 3.25Å; A476-V480 PolarHBondContact O-N 2.92Å; V478-V480 PolarHBondContact O-N 3.35Å; V480-D482 VanDerWaalsContact C-N 3.26Å; V480-D482 PolarHBondContact O-N 2.81Å
481K49.2Very low55.9Low143 Ų14386.7 Ų86.762%0.62248%0.479SS*.G310 helixtrans-67.5-26.5173.3-163.5-170.7169.5-165.30112.6V478 I479V478-K481 WeakPolarHBondContact O-CB 3.33Å; V478-K481 PolarHBondContact O-N 2.93Å; I479-K481 PolarHBondContact O-N 2.87Å; I479-K481 VanDerWaalsContact O-N 3.17Å
482D44.5Very low55.4Low132 Ų13287.6 Ų87.671%0.70648%0.477SS*.G310 helixtrans-95.62-174.9-66.9-19.1000113I479 V480I479-D482 PolarHBondContact O-N 2.63Å; V480-D482 VanDerWaalsContact C-N 3.26Å; V480-D482 PolarHBondContact O-N 2.81Å
483Q43Very low54.7Low166 Ų16686.5 Ų86.578%0.77647%0.472SS*.  trans-120.815.1178.6-66.1-163.8-2300114
484L43.1Very low54Low197 Ų19793 Ų93100%1.03151%0.507SS*.  trans-116.50175.3-101.8164.1000111.6

Retrieved 484 of 484 residues in 462.2 ms (Link to these results)

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