A0A096MDK2_POEFO Loading...

Glycerol-3-phosphate phosphatase

Glycerol-3-phosphate phosphatase hydrolyzing glycerol-3-phosphate into glycerol. Thereby, regulates the cellular levels of glycerol-3-phosphate a metabolic intermediate of glucose, lipid and energy metabolism. Was also shown to have a 2-phosphoglycolate phosphatase activity and a tyrosine-protein phosphatase activity. However, their physiological relevance is unclear. In vitro, also has a phosphatase activity toward ADP, ATP, GDP and GTP.

AlphaFold DB , UniProt , Accession A0A096MDK2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 312 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
1M35.2Very low74.1Confident241 Ų24177.4 Ų77.4100%1.18748%0.475SS*.  0122.10-73.7-172.4-87.500106.7G3M1-G3 PolarHBondContact O-N 2.98Å
2S38.7Very low75Confident131 Ų13180.2 Ų80.292%0.91650%0.496SS*.  trans-67.588.3175.556.60000108.3
3G53.6Low76.1Confident48 Ų4879.2 Ų79.250%0.49549%0.485SS..PPolyproline II helixtrans-59.3143.7172.800000109.2M1 Q5M1-G3 PolarHBondContact O-N 2.98Å; G3-Q5 PolarHBondContact O-N 2.68Å; G3-Q5 VanDerWaalsContact O-N 3.16Å
4S60.1Low77.4Confident47 Ų4774 Ų7433%0.32945%0.453SS..PPolyproline II helixtrans-51.8121.7174.449.20000109.6D291 Y292S4-D291 CarbonylContact O-C 3.57Å; S4-D291 WeakPolarHBondContact O-CA 3.33Å; S4-Y292 WeakPolarHBondContact OG-CE1 3.39Å; S4-Y292 VanDerWaalsContact OG-CZ 3.25Å; S4-Y292 PolarHBondContact OG-OH 3.2Å; S4-Y292 VanDerWaalsContact OG-OH 3.09Å
5Q81.5Confident78.3Confident104 Ų10477 Ų7749%0.48645%0.453SS..SBendtrans-99.6129.2172.9-74.2-172.7-22.800109.4G3 V289G3-Q5 PolarHBondContact O-N 2.68Å; G3-Q5 VanDerWaalsContact O-N 3.16Å; Q5-V289 HydrophobicContact CB-CG1 4.03Å
6C90.3Very high79.3Confident10 Ų1080.2 Ų80.27%0.06846%0.462CS..SBendtrans57.745.5177.8-164.90000113.1V289 P290 D291C6-V289 HydrophobicContact CB-CG1 3.82Å; C6-P290 WeakPolarHBondContact CA-O 3.35Å; C6-P290 PolarHBondContact N-O 3.01Å; C6-D291 PolarHBondContact N-O 3.42Å
7A92.6Very high80.3Confident28 Ų2875.8 Ų75.823%0.23144%0.436CS..EExtended strand (participates in β ladder)trans-95.7141.3176.700000111.8L9 D291 Y292 Y293A7-L9 PolarHBondContact O-N 3.22Å; A7-D291 PolarHBondContact N-O 2.71Å; A7-Y292 HydrophobicContact CB-CD1 4.2Å; A7-Y292 HydrophobicContact CB-CE1 4.46Å; A7-Y292 CarbonylContact O-C 3.6Å; A7-Y292 WeakPolarHBondContact O-CA 3.35Å; A7-Y293 WeakPolarHBondContact O-CD1 3.22Å; A7-Y293 PolarHBondContact O-N 3.17Å
8R94.9Very high81.2Confident144 Ų14472.1 Ų72.154%0.54342%0.415SS..EExtended strand (participates in β ladder)trans-65.5124.3170.9-165.4175.6-176.4172.84.9108.9Y293 E295R8-Y293 WeakPolarHBondContact CA-O 3.45Å; R8-Y293 HydrophobicContact CB-CE1 3.89Å; R8-Y293 HydrophobicContact CB-CE2 3.99Å; R8-Y293 HydrophobicContact CG-CD2 4.41Å; R8-Y293 HydrophobicContact CG-CE2 3.84Å; R8-Y293 VanDerWaalsContact N-CE1 3.26Å; R8-E295 IonicContact CZ-OE1 2.86Å; R8-E295 IonicContact NH2-OE1 3.67Å
9L93.9Very high81.9Confident7 Ų774.2 Ų74.24%0.03743%0.425CS..PPolyproline II helixtrans-78128.3177-163.569.2000109.5A7 L13 V14 L17 L262 Y292 Y293 V294 L300A7-L9 PolarHBondContact O-N 3.22Å; L9-L13 HydrophobicContact CD1-CB 4Å; L9-V14 HydrophobicContact CD2-CG1 4.48Å; L9-V14 HydrophobicContact CD2-CG2 4.07Å; L9-V14 HydrophobicContact CG-CB 4.49Å; L9-V14 HydrophobicContact CG-CG2 3.79Å; L9-L17 HydrophobicContact CD1-CB 4.39Å; L9-L17 HydrophobicContact CD1-CD2 4.02Å; L9-L17 HydrophobicContact CD2-CD2 3.71Å; L9-L262 HydrophobicContact CB-CD1 4.45Å; L9-L262 HydrophobicContact CD2-CD1 4.06Å; L9-L262 HydrophobicContact CD2-CD2 4.43Å; L9-Y292 HydrophobicContact CB-CD1 4.45Å; L9-Y292 HydrophobicContact CD1-CD1 3.56Å; L9-Y292 HydrophobicContact CD1-CD2 4.26Å; L9-Y292 HydrophobicContact CD1-CE1 3.96Å; L9-Y292 HydrophobicContact CD1-CG 3.73Å; L9-Y293 PolarHBondContact N-O 2.67Å; L9-V294 HydrophobicContact CB-CG1 3.73Å; L9-V294 HydrophobicContact CD2-CG1 4.24Å; L9-L300 HydrophobicContact CD2-CD2 3.68Å
10G90Very high82.7Confident37 Ų3772 Ų7238%0.38141%0.414SS..  trans-166.5158.8177.400000112.9L13G10-L13 WeakPolarHBondContact O-CB 3.46Å; G10-L13 PolarHBondContact O-N 3.33Å
11G84.6Confident83.4Confident54 Ų5468.5 Ų68.556%0.55739%0.394SS*.THydrogen-bonded Turntrans55.6-134.7174.300000113.5L13 V14G11-L13 PolarHBondContact O-N 2.85Å; G11-L13 VanDerWaalsContact O-N 3.16Å; G11-V14 PolarHBondContact O-N 3.39Å
12P84.4Confident86.4Confident111 Ų11159.7 Ų59.772%0.72135%0.351SS*.Hα-helixtrans-58.2-27.2-177.6-25.734.8000115V14 R15 Q16P12-V14 PolarHBondContact O-N 3.22Å; P12-R15 PolarHBondContact O-N 2.99Å; P12-Q16 PolarHBondContact O-N 2.86Å; P12-Q16 VanDerWaalsContact O-N 3.16Å
13L90.1Very high89.3Confident68 Ų6853.6 Ų53.636%0.35631%0.309SS..Hα-helixtrans-64.8-30.2-179.6-69.1171.4000112.3L9 G10 G11 Q16 L17L9-L13 HydrophobicContact CD1-CB 4Å; G10-L13 WeakPolarHBondContact O-CB 3.46Å; G10-L13 PolarHBondContact O-N 3.33Å; G11-L13 PolarHBondContact O-N 2.85Å; G11-L13 VanDerWaalsContact O-N 3.16Å; L13-Q16 PolarHBondContact O-N 2.87Å; L13-L17 WeakPolarHBondContact O-CB 3.41Å; L13-L17 PolarHBondContact O-N 3.42Å
14V93.3Very high91.4Very high6 Ų651.4 Ų51.44%0.03629%0.286CS..Hα-helixtrans-62.2-49.6176.7-177.20000109.9L9 G11 P12 Q16 L17 L18 L300 A303L9-V14 HydrophobicContact CD2-CG1 4.48Å; L9-V14 HydrophobicContact CD2-CG2 4.07Å; L9-V14 HydrophobicContact CG-CB 4.49Å; L9-V14 HydrophobicContact CG-CG2 3.79Å; G11-V14 PolarHBondContact O-N 3.39Å; P12-V14 PolarHBondContact O-N 3.22Å; V14-Q16 PolarHBondContact O-N 3.47Å; V14-L17 PolarHBondContact O-N 3.23Å; V14-L18 HydrophobicContact CG1-CD1 3.9Å; V14-L18 HydrophobicContact CG1-CG 4.36Å; V14-L18 WeakPolarHBondContact O-CB 3.46Å; V14-L18 VanDerWaalsContact O-CG 3.29Å; V14-L18 WeakPolarHBondContact O-CG 3.28Å; V14-L18 PolarHBondContact O-N 3.15Å; V14-L300 HydrophobicContact CG1-CD2 3.71Å; V14-A303 HydrophobicContact CB-CB 3.75Å; V14-A303 HydrophobicContact CG1-CB 3.34Å
15R91.9Very high93.2Very high119 Ų11949.1 Ų49.145%0.44927%0.27SS..Hα-helixtrans-61.1-47.5179.1-65.6-177-166.4163.14.5110.7P12 L17 L18 D19 A303P12-R15 PolarHBondContact O-N 2.99Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 3.15Å; R15-L18 PolarHBondContact O-N 2.86Å; R15-D19 WeakPolarHBondContact O-CB 3.37Å; R15-D19 PolarHBondContact O-N 3.38Å; R15-A303 HydrophobicContact CG-CB 3.84Å
16Q93.8Very high94.1Very high128 Ų12844.2 Ų44.260%0.59825%0.247SC*.Hα-helixtrans-57.3-44.4177.9-175.5-178.1-400112.5P12 L13 V14 S20P12-Q16 PolarHBondContact O-N 2.86Å; P12-Q16 VanDerWaalsContact O-N 3.16Å; L13-Q16 PolarHBondContact O-N 2.87Å; V14-Q16 PolarHBondContact O-N 3.47Å; Q16-S20 VanDerWaalsContact O-CB 3.31Å; Q16-S20 WeakPolarHBondContact O-CB 3.49Å; Q16-S20 PolarHBondContact O-N 3.1Å; Q16-S20 VanDerWaalsContact O-N 3.12Å
17L96.1Very high94.4Very high5 Ų544.3 Ų44.33%0.02625%0.247CC..Hα-helixtrans-61.9-50.8176.5176.261.6000110.8L9 L13 V14 R15 D19 S20 L241 K260 Y292L9-L17 HydrophobicContact CD1-CB 4.39Å; L9-L17 HydrophobicContact CD1-CD2 4.02Å; L9-L17 HydrophobicContact CD2-CD2 3.71Å; L13-L17 WeakPolarHBondContact O-CB 3.41Å; L13-L17 PolarHBondContact O-N 3.42Å; V14-L17 PolarHBondContact O-N 3.23Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 3.15Å; L17-D19 VanDerWaalsContact C-N 3.35Å; L17-D19 PolarHBondContact O-N 3.05Å; L17-S20 WeakPolarHBondContact O-CB 3.27Å; L17-S20 PolarHBondContact O-N 3.26Å; L17-S20 VanDerWaalsContact O-N 3.11Å; L17-S20 PolarHBondContact O-OG 2.76Å; L17-L241 HydrophobicContact CD1-CD1 4.37Å; L17-L241 HydrophobicContact CD2-CD1 4.37Å; L17-L241 HydrophobicContact CD2-CD2 4.24Å; L17-L241 HydrophobicContact CG-CD2 4.49Å; L17-K260 HydrophobicContact CD1-CB 4.21Å; L17-K260 HydrophobicContact CD1-CD 3.45Å; L17-K260 VanDerWaalsContact CD1-CD 3.45Å; L17-K260 HydrophobicContact CD1-CG 4.47Å; L17-Y292 HydrophobicContact CD1-CD2 4.21Å; L17-Y292 HydrophobicContact CD1-CE2 3.96Å; L17-Y292 HydrophobicContact CD2-CD2 3.87Å; L17-Y292 HydrophobicContact CD2-CE2 4.28Å
18L95.9Very high94.6Very high10 Ų1043 Ų435%0.05224%0.236CC..Hα-helixtrans-63.9-36.8-177.7-67.4178.4000112.6V14 R15 S20 V21 L49 K54 L304V14-L18 HydrophobicContact CG1-CD1 3.9Å; V14-L18 HydrophobicContact CG1-CG 4.36Å; V14-L18 WeakPolarHBondContact O-CB 3.46Å; V14-L18 VanDerWaalsContact O-CG 3.29Å; V14-L18 WeakPolarHBondContact O-CG 3.28Å; V14-L18 PolarHBondContact O-N 3.15Å; R15-L18 PolarHBondContact O-N 2.86Å; L18-S20 VanDerWaalsContact C-N 3.28Å; L18-S20 PolarHBondContact O-N 3.05Å; L18-V21 WeakPolarHBondContact O-CG2 3.25Å; L18-V21 PolarHBondContact O-N 3.02Å; L18-V21 VanDerWaalsContact O-O 3.1Å; L18-L49 HydrophobicContact CD2-CD2 3.87Å; L18-K54 WeakPolarHBondContact O-CE 3.45Å; L18-K54 PolarHBondContact O-NZ 2.89Å; L18-L304 HydrophobicContact CD1-CD2 3.83Å; L18-L304 HydrophobicContact CD1-CG 3.99Å
19D95.5Very high94.5Very high112 Ų11238 Ų3860%0.59922%0.22SC*.Hα-helixtrans-69.6-28.4175.5-67.7-21.5000112.2R15 L17 V21 R239R15-D19 WeakPolarHBondContact O-CB 3.37Å; R15-D19 PolarHBondContact O-N 3.38Å; L17-D19 VanDerWaalsContact C-N 3.35Å; L17-D19 PolarHBondContact O-N 3.05Å; D19-V21 PolarHBondContact O-N 2.68Å; D19-R239 PolarHBondContact O-NH1 3.19Å; D19-R239 PolarHBondContact O-NH2 3.45Å
20S97Very high94.4Very high29 Ų2938 Ų3820%0.20322%0.222CC..THydrogen-bonded Turntrans-76.6-4.9179.382.90000114.5Q16 L17 L18 R239 K260Q16-S20 VanDerWaalsContact O-CB 3.31Å; Q16-S20 WeakPolarHBondContact O-CB 3.49Å; Q16-S20 PolarHBondContact O-N 3.1Å; Q16-S20 VanDerWaalsContact O-N 3.12Å; L17-S20 WeakPolarHBondContact O-CB 3.27Å; L17-S20 PolarHBondContact O-N 3.26Å; L17-S20 VanDerWaalsContact O-N 3.11Å; L17-S20 PolarHBondContact O-OG 2.76Å; L18-S20 VanDerWaalsContact C-N 3.28Å; L18-S20 PolarHBondContact O-N 3.05Å; S20-R239 PolarHBondContact O-NH1 3.17Å; S20-K260 PolarHBondContact O-NZ 3.04Å; S20-K260 WeakPolarHBondContact OG-CD 3.31Å; S20-K260 WeakPolarHBondContact OG-CE 3.33Å; S20-K260 PolarHBondContact OG-NZ 3.18Å
21V98.3Very high94.7Very high0 Ų036.2 Ų36.20%020%0.204CC..  trans-130148.7-177.6-60.60000112.3L18 D19 K54 R239 L241 K260L18-V21 WeakPolarHBondContact O-CG2 3.25Å; L18-V21 PolarHBondContact O-N 3.02Å; L18-V21 VanDerWaalsContact O-O 3.1Å; D19-V21 PolarHBondContact O-N 2.68Å; V21-K54 PolarHBondContact O-NZ 2.73Å; V21-R239 CarbonylContact C-O 3.54Å; V21-R239 VanDerWaalsContact CA-O 3.27Å; V21-R239 WeakPolarHBondContact CA-O 3.24Å; V21-R239 VanDerWaalsContact CB-O 3.31Å; V21-R239 WeakPolarHBondContact CB-O 3.31Å; V21-L241 HydrophobicContact CB-CB 4.48Å; V21-L241 HydrophobicContact CG1-CB 4.17Å; V21-L241 HydrophobicContact CG2-CB 4.25Å; V21-K260 HydrophobicContact CG1-CD 3.97Å; V21-K260 HydrophobicContact CG1-CG 4.45Å
22D98.2Very high95.3Very high55 Ų5533.7 Ų33.729%0.29418%0.177SC..SBendtrans-105.2-21.8176.6-60.7-38.9000111.8K55 R236 R239D22-K55 PolarHBondContact O-N 2.75Å; D22-R236 IonicContact OD2-NH2 2.98Å; D22-R236 PolarHBondContact OD2-NH2 2.92Å; D22-R239 HydrophobicContact CB-CB 4.29Å; D22-R239 VanDerWaalsContact CG-NE 3.32Å; D22-R239 PolarHBondContact N-O 2.85Å; D22-R239 IonicContact OD1-CZ 3.42Å; D22-R239 IonicContact OD1-NE 3.39Å; D22-R239 PolarHBondContact OD1-NE 2.75Å; D22-R239 IonicContact OD1-NH2 2.68Å; D22-R239 PolarHBondContact OD1-NH2 2.86Å; D22-R239 WeakPolarHBondContact OD2-CB 3.5Å; D22-R239 WeakPolarHBondContact OD2-CG 3.49Å; D22-R239 IonicContact OD2-CZ 3.68Å; D22-R239 IonicContact OD2-NE 2.85Å; D22-R239 PolarHBondContact OD2-NE 3.29Å; D22-R239 IonicContact OD2-NH2 3.68Å
23S98.6Very high95.8Very high4 Ų428.4 Ų28.43%0.02814%0.143CC..EExtended strand (participates in β ladder)trans-138.9141.4-173.8-56.20000111.6K55 L235 R239 C240 L241S23-K55 CarbonylContact C-O 3.47Å; S23-K55 VanDerWaalsContact CA-O 3.26Å; S23-K55 WeakPolarHBondContact CA-O 3.43Å; S23-L235 WeakPolarHBondContact OG-CD2 3.39Å; S23-R239 PolarHBondContact N-O 3.22Å; S23-C240 CarbonylContact O-C 3.59Å; S23-C240 WeakPolarHBondContact O-CA 3.26Å; S23-L241 PolarHBondContact O-N 3.46Å
24V98.7Very high95.8Very high1 Ų131.7 Ų31.71%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-126.8124.9-180-167.40000109F26 L49 K55 V56 F57 L241 V243V24-F26 HydrophobicContact CB-CD2 4.39Å; V24-F26 HydrophobicContact CB-CE2 3.77Å; V24-F26 HydrophobicContact CB-CZ 4.33Å; V24-F26 HydrophobicContact CG1-CD2 3.87Å; V24-F26 HydrophobicContact CG1-CE1 4.2Å; V24-F26 HydrophobicContact CG1-CE2 3.29Å; V24-F26 HydrophobicContact CG1-CZ 3.48Å; V24-F26 VanDerWaalsContact CG1-CZ 3.48Å; V24-L49 HydrophobicContact CG2-CD1 4.44Å; V24-K55 PolarHBondContact N-O 3.22Å; V24-V56 WeakPolarHBondContact O-CA 3.29Å; V24-F57 PolarHBondContact O-N 3.13Å; V24-L241 WeakPolarHBondContact CA-O 3.39Å; V24-L241 HydrophobicContact CG1-CB 4.22Å; V24-L241 HydrophobicContact CG1-CD2 4.13Å; V24-L241 HydrophobicContact CG1-CG 4.27Å; V24-L241 HydrophobicContact CG2-CB 4.44Å; V24-V243 HydrophobicContact CG1-CG2 3.62Å
25L98.7Very high95.4Very high0 Ų033.1 Ų33.10%017%0.166CC..EExtended strand (participates in β ladder)trans-104.1121.6175.2-6287.2000107.2F57 V59 F226 V229 C240 L241 M242 V243 L259L25-F57 CarbonylContact C-O 3.54Å; L25-F57 WeakPolarHBondContact CA-O 3.38Å; L25-F57 HydrophobicContact CG-CB 4.28Å; L25-F57 HydrophobicContact CG-CD2 4.38Å; L25-V59 HydrophobicContact CB-CG2 4.01Å; L25-V59 HydrophobicContact CD2-CG1 3.98Å; L25-F226 HydrophobicContact CD1-CD2 4.48Å; L25-F226 HydrophobicContact CD1-CE2 4.36Å; L25-F226 HydrophobicContact CD2-CD2 3.79Å; L25-F226 HydrophobicContact CD2-CE2 4.39Å; L25-V229 HydrophobicContact CD2-CB 4.5Å; L25-V229 HydrophobicContact CD2-CG2 4.17Å; L25-C240 HydrophobicContact CD1-CB 4.05Å; L25-L241 PolarHBondContact N-O 3.42Å; L25-M242 HydrophobicContact CB-SD 3.84Å; L25-V243 PolarHBondContact O-N 2.93Å; L25-L259 HydrophobicContact CD1-CD2 3.92Å
26F98.7Very high95.2Very high0 Ų032.9 Ų32.90%017%0.174CC..EExtended strand (participates in β ladder)trans-106.5127.9176.7-70-88.3000109.3V24 V31 I32 I46 L49 V56 F57 F58 V59 V243 I297V24-F26 HydrophobicContact CB-CD2 4.39Å; V24-F26 HydrophobicContact CB-CE2 3.77Å; V24-F26 HydrophobicContact CB-CZ 4.33Å; V24-F26 HydrophobicContact CG1-CD2 3.87Å; V24-F26 HydrophobicContact CG1-CE1 4.2Å; V24-F26 HydrophobicContact CG1-CE2 3.29Å; V24-F26 HydrophobicContact CG1-CZ 3.48Å; V24-F26 VanDerWaalsContact CG1-CZ 3.48Å; F26-V31 HydrophobicContact CD1-CG1 4.05Å; F26-I32 HydrophobicContact CB-CG2 4.18Å; F26-I32 HydrophobicContact CD1-CG2 4.26Å; F26-I32 HydrophobicContact CG-CG2 4.41Å; F26-I46 HydrophobicContact CD2-CG1 4.39Å; F26-I46 HydrophobicContact CE2-CG1 4.05Å; F26-I46 HydrophobicContact CZ-CG1 4.29Å; F26-L49 HydrophobicContact CE2-CD1 3.91Å; F26-L49 HydrophobicContact CZ-CD1 3.63Å; F26-V56 HydrophobicContact CD2-CG1 3.83Å; F26-V56 HydrophobicContact CE2-CG1 3.96Å; F26-F57 PolarHBondContact N-O 3.27Å; F26-F58 CarbonylContact O-C 3.56Å; F26-F58 WeakPolarHBondContact O-CA 3.44Å; F26-V59 WeakPolarHBondContact O-CG2 3.46Å; F26-V59 PolarHBondContact O-N 2.99Å; F26-V243 HydrophobicContact CD1-CB 3.6Å; F26-V243 HydrophobicContact CD1-CG1 3.81Å; F26-V243 HydrophobicContact CD1-CG2 3.97Å; F26-V243 HydrophobicContact CE1-CB 3.84Å; F26-V243 HydrophobicContact CE1-CG1 3.89Å; F26-V243 HydrophobicContact CE1-CG2 3.74Å; F26-V243 HydrophobicContact CG-CB 4.34Å; F26-V243 HydrophobicContact CZ-CG2 4.26Å; F26-I297 HydrophobicContact CD1-CD1 4.34Å; F26-I297 HydrophobicContact CE1-CD1 4.04Å; F26-I297 HydrophobicContact CE1-CG2 4.27Å
27D97.9Very high95.1Very high12 Ų1233.1 Ų33.16%0.06418%0.175CC..  trans-60.3162.9151.7-17855.8000110.5V31 V59 K220 M242 V243D27-V31 HydrophobicContact CB-CG2 3.82Å; D27-V31 VanDerWaalsContact O-CB 3.31Å; D27-V31 WeakPolarHBondContact O-CB 3.04Å; D27-V59 WeakPolarHBondContact CA-O 3.32Å; D27-V59 VanDerWaalsContact OD1-O 3.14Å; D27-K220 IonicContact OD1-NZ 3.88Å; D27-K220 PolarHBondContact OD1-NZ 3.06Å; D27-M242 HydrophobicContact CB-CE 4.2Å; D27-V243 PolarHBondContact N-O 3.45Å
28C96.1Very high95.1Very high2 Ų234.6 Ų34.61%0.01419%0.188CC..  trans-105.2-63.9-175.2-51.30000113.2G30 V31 I32 W33C28-G30 PolarHBondContact O-N 3.13Å; C28-V31 PolarHBondContact O-N 3.03Å; C28-V31 VanDerWaalsContact O-N 3.14Å; C28-I32 HydrophobicContact CB-CD1 3.98Å; C28-I32 HydrophobicContact CB-CG1 4.26Å; C28-I32 PolarHBondContact O-N 3.09Å; C28-W33 HydrophobicContact CB-CD2 4.33Å; C28-W33 HydrophobicContact CB-CH2 3.56Å; C28-W33 HydrophobicContact CB-CZ2 3.25Å; C28-W33 HydrophobicContact CB-CZ3 4.23Å; C28-W33 PolarHBondContact O-N 3.25Å
29D92.7Very high95.1Very high38 Ų3834.6 Ų34.620%0.20319%0.188CC..BIsolated β-bridgetrans-73.1113.6-172.9-69.7-72.5000110.1W33D29-W33 PolarHBondContact OD1-NE1 3.11Å
30G92.1Very high95.2Very high7 Ų734.5 Ų34.57%0.07219%0.194CC..THydrogen-bonded Turntrans91.5-5.3-174.900000113.9C28 W33 T266 G267C28-G30 PolarHBondContact O-N 3.13Å; G30-W33 PolarHBondContact N-O 2.63Å; G30-T266 CarbonylContact O-C 3.57Å; G30-T266 VanDerWaalsContact O-C 3.25Å; G30-T266 VanDerWaalsContact O-CB 3.22Å; G30-T266 WeakPolarHBondContact O-CB 3.48Å; G30-T266 PolarHBondContact O-OG1 3.3Å; G30-G267 PolarHBondContact O-N 2.97Å
31V96.8Very high95.2Very high0 Ų034.6 Ų34.60%020%0.199CC..THydrogen-bonded Turntrans-115.4-53.3179.3179.70000113F26 D27 C28 I39 V243 D245 T264 I297F26-V31 HydrophobicContact CD1-CG1 4.05Å; D27-V31 HydrophobicContact CB-CG2 3.82Å; D27-V31 VanDerWaalsContact O-CB 3.31Å; D27-V31 WeakPolarHBondContact O-CB 3.04Å; C28-V31 PolarHBondContact O-N 3.03Å; C28-V31 VanDerWaalsContact O-N 3.14Å; V31-I39 VanDerWaalsContact C-CD1 3.41Å; V31-I39 WeakPolarHBondContact O-CD1 3.4Å; V31-V243 HydrophobicContact CG1-CG1 4.02Å; V31-D245 HydrophobicContact CG2-CB 3.93Å; V31-T264 HydrophobicContact CB-CG2 4.09Å; V31-T264 HydrophobicContact CG1-CG2 4Å; V31-T264 HydrophobicContact CG2-CG2 3.7Å; V31-I297 HydrophobicContact CG1-CG2 4.12Å
32I97.2Very high95.2Very high0 Ų034.6 Ų34.60%020%0.199CC..THydrogen-bonded Turntrans-109.3-20.8179.974.2-169000112.1F26 C28 I39 A42 I46 F58 L74 F79 I297F26-I32 HydrophobicContact CB-CG2 4.18Å; F26-I32 HydrophobicContact CD1-CG2 4.26Å; F26-I32 HydrophobicContact CG-CG2 4.41Å; C28-I32 HydrophobicContact CB-CD1 3.98Å; C28-I32 HydrophobicContact CB-CG1 4.26Å; C28-I32 PolarHBondContact O-N 3.09Å; I32-I39 PolarHBondContact O-N 2.87Å; I32-A42 HydrophobicContact CB-CB 4.36Å; I32-I46 HydrophobicContact CG2-CD1 3.92Å; I32-F58 HydrophobicContact CD1-CD1 3.61Å; I32-F58 HydrophobicContact CD1-CE1 3.77Å; I32-L74 HydrophobicContact CD1-CD2 3.73Å; I32-F79 HydrophobicContact CB-CE1 4Å; I32-F79 HydrophobicContact CB-CZ 3.85Å; I32-F79 HydrophobicContact CG1-CZ 4.24Å; I32-F79 WeakPolarHBondContact O-CZ 3.34Å; I32-I297 HydrophobicContact CG2-CD1 4.01Å
33W94.6Very high95.2Very high0 Ų033.2 Ų33.20%020%0.195CC..EExtended strand (participates in β ladder)trans-147.5168.1173.462.862.8000112.4C28 D29 G30 Q37 Y70 K73 L74 L77C28-W33 HydrophobicContact CB-CD2 4.33Å; C28-W33 HydrophobicContact CB-CH2 3.56Å; C28-W33 HydrophobicContact CB-CZ2 3.25Å; C28-W33 HydrophobicContact CB-CZ3 4.23Å; C28-W33 PolarHBondContact O-N 3.25Å; D29-W33 PolarHBondContact OD1-NE1 3.11Å; G30-W33 PolarHBondContact N-O 2.63Å; W33-Q37 CarbonylContact C-O 3.53Å; W33-Q37 WeakPolarHBondContact CA-O 3.44Å; W33-Q37 WeakPolarHBondContact CB-O 3.31Å; W33-Y70 HydrophobicContact CH2-CD1 4.17Å; W33-Y70 HydrophobicContact CH2-CE1 4.5Å; W33-Y70 HydrophobicContact CZ2-CD1 4.36Å; W33-Y70 HydrophobicContact CZ2-CE1 4.24Å; W33-K73 HydrophobicContact CH2-CD 4.44Å; W33-K73 HydrophobicContact CZ2-CD 4.38Å; W33-L74 HydrophobicContact CE3-CD2 4.39Å; W33-L74 HydrophobicContact CH2-CD2 4.34Å; W33-L74 HydrophobicContact CH2-CG 4.28Å; W33-L74 HydrophobicContact CZ3-CD2 3.52Å; W33-L74 HydrophobicContact CZ3-CG 3.77Å; W33-L77 HydrophobicContact CB-CD1 4.12Å; W33-L77 HydrophobicContact CD2-CD1 4.13Å; W33-L77 HydrophobicContact CE3-CD1 3.67Å; W33-L77 HydrophobicContact CG-CD1 4.34Å; W33-L77 HydrophobicContact CZ3-CD1 4.41Å
34R89.6Confident95.1Very high138 Ų13838 Ų3852%0.52121%0.213SC..EExtended strand (participates in β ladder)trans-129.4119.1162.8-65.1-176.2-172.7166.22.9108D36 Q37 I39 T266R34-D36 PolarHBondContact O-N 3.12Å; R34-D36 VanDerWaalsContact O-N 3.14Å; R34-Q37 PolarHBondContact N-O 2.85Å; R34-Q37 PolarHBondContact O-N 3.42Å; R34-I39 HydrophobicContact CG-CD1 4.41Å; R34-I39 HydrophobicContact CG-CG1 4.45Å; R34-T266 PolarHBondContact NE-O 3.06Å; R34-T266 PolarHBondContact NH2-O 2.83Å
35G85.9Confident95.1Very high35 Ų3538 Ų3836%0.36121%0.212SC..THydrogen-bonded Turntrans58.3-119.3-171.900000110.4K73G35-K73 PolarHBondContact O-NZ 2.99Å
36D87.3Confident95.1Very high115 Ų11538 Ų3862%0.61521%0.213SC*.THydrogen-bonded Turntrans-108.220.5179.7-62-38.4000113R34 K73 L77R34-D36 PolarHBondContact O-N 3.12Å; R34-D36 VanDerWaalsContact O-N 3.14Å; D36-K73 IonicContact OD1-NZ 2.7Å; D36-K73 PolarHBondContact OD1-NZ 2.97Å; D36-L77 VanDerWaalsContact O-CD2 3.29Å; D36-L77 WeakPolarHBondContact O-CD2 3.38Å
37Q91.6Very high95Very high132 Ų13239.8 Ų39.862%0.61723%0.225SC*.EExtended strand (participates in β ladder)trans-115.4125.5176.1-63.6-62.7-29.100110.7W33 R34W33-Q37 CarbonylContact C-O 3.53Å; W33-Q37 WeakPolarHBondContact CA-O 3.44Å; W33-Q37 WeakPolarHBondContact CB-O 3.31Å; R34-Q37 PolarHBondContact N-O 2.85Å; R34-Q37 PolarHBondContact O-N 3.42Å
38A96.3Very high95Very high36 Ų3639.6 Ų39.630%0.29822%0.224SC..EExtended strand (participates in β ladder)trans-63.4141.2172.400000110.5L77 F79A38-L77 HydrophobicContact CB-CB 4.34Å; A38-F79 HydrophobicContact CB-CE2 4.08Å; A38-F79 HydrophobicContact CB-CZ 4.23Å
39I95.9Very high95.1Very high11 Ų1139.5 Ų39.56%0.05622%0.223CC..PPolyproline II helixtrans-67.3130.3169.7-76.7166000107.9V31 I32 R34 G41 A42 T266V31-I39 VanDerWaalsContact C-CD1 3.41Å; V31-I39 WeakPolarHBondContact O-CD1 3.4Å; I32-I39 PolarHBondContact O-N 2.87Å; R34-I39 HydrophobicContact CG-CD1 4.41Å; R34-I39 HydrophobicContact CG-CG1 4.45Å; I39-G41 PolarHBondContact O-N 3.19Å; I39-A42 HydrophobicContact CB-CB 4.17Å; I39-A42 HydrophobicContact CG2-CB 4.46Å; I39-A42 WeakPolarHBondContact O-CB 3.07Å; I39-A42 PolarHBondContact O-N 2.97Å; I39-T266 HydrophobicContact CD1-CG2 4.16Å; I39-T266 HydrophobicContact CG2-CG2 4.26Å
40P97.3Very high95.3Very high110 Ų11039.7 Ų39.771%0.71422%0.222SC*.THydrogen-bonded Turntrans-52.2130.4-179.5-29.235.9000112.3A42P40-A42 VanDerWaalsContact C-N 3.27Å; P40-A42 PolarHBondContact O-N 3.34Å
41G97.4Very high95.5Very high30 Ų3045.4 Ų45.431%0.30925%0.247SC..THydrogen-bonded Turntrans82.1-15.6-178.900000115.7I39 A43 R44 V45I39-G41 PolarHBondContact O-N 3.19Å; G41-A43 PolarHBondContact O-N 3.31Å; G41-R44 PolarHBondContact O-N 2.93Å; G41-R44 VanDerWaalsContact O-N 3.17Å; G41-V45 WeakPolarHBondContact O-CG2 3.49Å; G41-V45 PolarHBondContact O-N 3.16Å
42A97.9Very high95.5Very high0 Ų051.1 Ų51.10%027%0.269CS..Hα-helixtrans-57.8-48.6-176.200000113.1I32 I39 P40 R44 V45 I46 F79 I297I32-A42 HydrophobicContact CB-CB 4.36Å; I39-A42 HydrophobicContact CB-CB 4.17Å; I39-A42 HydrophobicContact CG2-CB 4.46Å; I39-A42 WeakPolarHBondContact O-CB 3.07Å; I39-A42 PolarHBondContact O-N 2.97Å; P40-A42 VanDerWaalsContact C-N 3.27Å; P40-A42 PolarHBondContact O-N 3.34Å; A42-R44 VanDerWaalsContact C-N 3.29Å; A42-R44 PolarHBondContact O-N 3.49Å; A42-V45 WeakPolarHBondContact O-CB 3.3Å; A42-V45 PolarHBondContact O-N 3.28Å; A42-I46 PolarHBondContact O-N 3.16Å; A42-F79 HydrophobicContact CB-CE1 3.82Å; A42-F79 HydrophobicContact CB-CZ 3.86Å; A42-I297 HydrophobicContact CB-CD1 3.74Å; A42-I297 HydrophobicContact CB-CG1 4.2Å
43A97.6Very high95.4Very high27 Ų2754.1 Ų54.122%0.22330%0.3CS..Hα-helixtrans-61.2-39.317900000112.1G41 I46 S47 F79G41-A43 PolarHBondContact O-N 3.31Å; A43-I46 PolarHBondContact O-N 3.18Å; A43-S47 WeakPolarHBondContact O-CB 3.26Å; A43-S47 PolarHBondContact O-N 3.31Å; A43-F79 VanDerWaalsContact CA-CE1 3.4Å; A43-F79 HydrophobicContact CB-CD1 3.92Å; A43-F79 HydrophobicContact CB-CE1 3.86Å; A43-F79 HydrophobicContact CB-CG 4.36Å; A43-F79 HydrophobicContact CB-CZ 4.26Å; A43-F79 VanDerWaalsContact N-CE1 3.31Å
44R97.7Very high95.6Very high104 Ų10455.6 Ų55.639%0.39231%0.306SS..Hα-helixtrans-65.9-42.7177.2-177.261.5172.4175.2-0.6111.5G41 A42 S47 L48 L301 D309G41-R44 PolarHBondContact O-N 2.93Å; G41-R44 VanDerWaalsContact O-N 3.17Å; A42-R44 VanDerWaalsContact C-N 3.29Å; A42-R44 PolarHBondContact O-N 3.49Å; R44-S47 PolarHBondContact O-N 3.09Å; R44-L48 HydrophobicContact CG-CD1 3.97Å; R44-L48 HydrophobicContact CG-CG 4.47Å; R44-L48 WeakPolarHBondContact O-CB 3.5Å; R44-L48 VanDerWaalsContact O-CG 3.3Å; R44-L48 WeakPolarHBondContact O-CG 3.37Å; R44-L48 PolarHBondContact O-N 3.45Å; R44-L301 HydrophobicContact CB-CD2 4.04Å; R44-L301 HydrophobicContact CG-CD2 3.6Å; R44-D309 IonicContact NH2-OD2 2.7Å; R44-D309 PolarHBondContact NH2-OD2 3.47Å
45V97.9Very high96Very high0 Ų053.6 Ų53.60%030%0.301CS..Hα-helixtrans-57.8-51.4175.4170.10000110.7G41 A42 S47 L48 L49 I297 L300 L301 L304G41-V45 WeakPolarHBondContact O-CG2 3.49Å; G41-V45 PolarHBondContact O-N 3.16Å; A42-V45 WeakPolarHBondContact O-CB 3.3Å; A42-V45 PolarHBondContact O-N 3.28Å; V45-S47 PolarHBondContact O-N 3.16Å; V45-L48 PolarHBondContact O-N 3.29Å; V45-L49 HydrophobicContact CG1-CD1 3.93Å; V45-L49 HydrophobicContact CG1-CG 4.47Å; V45-L49 WeakPolarHBondContact O-CG 3.47Å; V45-L49 PolarHBondContact O-N 3.34Å; V45-I297 VanDerWaalsContact CG2-O 3.28Å; V45-I297 WeakPolarHBondContact CG2-O 3.13Å; V45-L300 HydrophobicContact CG1-CB 4.3Å; V45-L300 HydrophobicContact CG1-CD1 4.07Å; V45-L301 HydrophobicContact CB-CD2 4.47Å; V45-L301 HydrophobicContact CG2-CD1 4.46Å; V45-L301 HydrophobicContact CG2-CD2 3.57Å; V45-L301 HydrophobicContact CG2-CG 3.64Å; V45-L304 HydrophobicContact CG1-CD1 4.03Å
46I98Very high96.6Very high1 Ų152 Ų521%0.00528%0.284CS..Hα-helixtrans-61.9-45-179.2-76.7161.9000111.3F26 I32 A42 A43 L48 L49 K50 V56 F58 F79F26-I46 HydrophobicContact CD2-CG1 4.39Å; F26-I46 HydrophobicContact CE2-CG1 4.05Å; F26-I46 HydrophobicContact CZ-CG1 4.29Å; I32-I46 HydrophobicContact CG2-CD1 3.92Å; A42-I46 PolarHBondContact O-N 3.16Å; A43-I46 PolarHBondContact O-N 3.18Å; I46-L48 PolarHBondContact O-N 3.34Å; I46-L49 PolarHBondContact O-N 3.01Å; I46-K50 PolarHBondContact O-N 2.86Å; I46-V56 HydrophobicContact CG1-CG1 4.48Å; I46-V56 HydrophobicContact CG2-CG1 4.13Å; I46-F58 HydrophobicContact CD1-CE1 3.71Å; I46-F58 HydrophobicContact CD1-CZ 4.19Å; I46-F58 HydrophobicContact CG2-CZ 4.21Å; I46-F79 HydrophobicContact CB-CD1 4.39Å; I46-F79 HydrophobicContact CD1-CD1 3.5Å; I46-F79 VanDerWaalsContact CD1-CD1 3.5Å; I46-F79 HydrophobicContact CD1-CE1 3.58Å
47S97.8Very high97.1Very high37 Ų3746.7 Ų46.726%0.25926%0.256SS..Hα-helixtrans-58.9-46.4176.6-172.50000111.7A43 R44 V45 L49 K50 Q51A43-S47 WeakPolarHBondContact O-CB 3.26Å; A43-S47 PolarHBondContact O-N 3.31Å; R44-S47 PolarHBondContact O-N 3.09Å; V45-S47 PolarHBondContact O-N 3.16Å; S47-L49 PolarHBondContact O-N 2.89Å; S47-K50 PolarHBondContact O-N 3.17Å; S47-Q51 WeakPolarHBondContact O-CB 3.49Å; S47-Q51 VanDerWaalsContact O-CG 3.26Å; S47-Q51 WeakPolarHBondContact O-CG 3.26Å; S47-Q51 PolarHBondContact O-N 3.02Å; S47-Q51 PolarHBondContact OG-NE2 2.62Å
48L97.4Very high97.4Very high8 Ų840.4 Ų40.44%0.04223%0.226CC..Hα-helixtrans-67.6-32.4179.1-72.5172.2000113.3R44 V45 I46 R52 L301 L304 Q305R44-L48 HydrophobicContact CG-CD1 3.97Å; R44-L48 HydrophobicContact CG-CG 4.47Å; R44-L48 WeakPolarHBondContact O-CB 3.5Å; R44-L48 VanDerWaalsContact O-CG 3.3Å; R44-L48 WeakPolarHBondContact O-CG 3.37Å; R44-L48 PolarHBondContact O-N 3.45Å; V45-L48 PolarHBondContact O-N 3.29Å; I46-L48 PolarHBondContact O-N 3.34Å; L48-R52 WeakPolarHBondContact O-CG 3.29Å; L48-R52 PolarHBondContact O-N 2.93Å; L48-R52 VanDerWaalsContact O-N 3.15Å; L48-L301 HydrophobicContact CD1-CD2 3.89Å; L48-L304 HydrophobicContact CB-CB 4.02Å; L48-L304 HydrophobicContact CB-CD1 4.28Å; L48-L304 HydrophobicContact CD1-CB 3.86Å; L48-Q305 HydrophobicContact CD1-CG 3.91Å
49L97.6Very high97.5Very high1 Ų138.7 Ų38.71%0.00521%0.212CC..Hα-helixtrans-64.3-48.1172.4-74.7168.8000110.8L18 V24 F26 V45 I46 S47 R52 G53 K54 V56 L304L18-L49 HydrophobicContact CD2-CD2 3.87Å; V24-L49 HydrophobicContact CG2-CD1 4.44Å; F26-L49 HydrophobicContact CE2-CD1 3.91Å; F26-L49 HydrophobicContact CZ-CD1 3.63Å; V45-L49 HydrophobicContact CG1-CD1 3.93Å; V45-L49 HydrophobicContact CG1-CG 4.47Å; V45-L49 WeakPolarHBondContact O-CG 3.47Å; V45-L49 PolarHBondContact O-N 3.34Å; I46-L49 PolarHBondContact O-N 3.01Å; S47-L49 PolarHBondContact O-N 2.89Å; L49-R52 CarbonylContact O-C 3.58Å; L49-R52 PolarHBondContact O-N 3.28Å; L49-R52 VanDerWaalsContact O-N 3.15Å; L49-G53 PolarHBondContact O-N 3.35Å; L49-K54 HydrophobicContact CB-CB 4.24Å; L49-K54 HydrophobicContact CB-CG 4.37Å; L49-K54 HydrophobicContact CD2-CG 4.06Å; L49-K54 VanDerWaalsContact O-CB 3.29Å; L49-K54 WeakPolarHBondContact O-CB 3.3Å; L49-K54 WeakPolarHBondContact O-CG 3.42Å; L49-K54 PolarHBondContact O-N 3.18Å; L49-V56 HydrophobicContact CB-CG2 4.13Å; L49-L304 HydrophobicContact CD2-CD1 4.22Å; L49-L304 HydrophobicContact CD2-CD2 3.94Å; L49-L304 HydrophobicContact CG-CD1 4.08Å; L49-L304 HydrophobicContact CG-CD2 4.4Å
50K97.4Very high97.5Very high41 Ų4138.2 Ų38.218%0.17821%0.21CC..Hα-helixtrans-61.4-43.8176.4-72.2-171.9170-163.40112.1I46 S47 R52 G53 V56 D80 E85I46-K50 PolarHBondContact O-N 2.86Å; S47-K50 PolarHBondContact O-N 3.17Å; K50-R52 PolarHBondContact O-N 2.82Å; K50-G53 WeakPolarHBondContact O-CA 3.34Å; K50-G53 PolarHBondContact O-N 3.26Å; K50-V56 HydrophobicContact CG-CB 4.2Å; K50-V56 HydrophobicContact CG-CG2 3.8Å; K50-D80 WeakPolarHBondContact CE-O 3.49Å; K50-D80 PolarHBondContact NZ-O 2.95Å; K50-E85 WeakPolarHBondContact CE-OE1 3.41Å; K50-E85 IonicContact NZ-OE1 3.22Å; K50-E85 PolarHBondContact NZ-OE1 2.93Å; K50-E85 IonicContact NZ-OE2 2.85Å; K50-E85 PolarHBondContact NZ-OE2 3.39Å
51Q96.8Very high97.4Very high128 Ų12833.4 Ų33.460%0.59818%0.178SC*.Hα-helixtrans-60-29.3175.7-72.8171.520.700112.8S47 G53S47-Q51 WeakPolarHBondContact O-CB 3.49Å; S47-Q51 VanDerWaalsContact O-CG 3.26Å; S47-Q51 WeakPolarHBondContact O-CG 3.26Å; S47-Q51 PolarHBondContact O-N 3.02Å; S47-Q51 PolarHBondContact OG-NE2 2.62Å; Q51-G53 PolarHBondContact O-N 2.82Å
52R95.4Very high97.2Very high119 Ų11933.1 Ų33.145%0.44917%0.17SC..THydrogen-bonded Turntrans-85.414.4172.4-74.4-168.5174.873.20.2114.2L48 L49 K50 K54 L304L48-R52 WeakPolarHBondContact O-CG 3.29Å; L48-R52 PolarHBondContact O-N 2.93Å; L48-R52 VanDerWaalsContact O-N 3.15Å; L49-R52 CarbonylContact O-C 3.58Å; L49-R52 PolarHBondContact O-N 3.28Å; L49-R52 VanDerWaalsContact O-N 3.15Å; K50-R52 PolarHBondContact O-N 2.82Å; R52-K54 VanDerWaalsContact C-N 3.28Å; R52-K54 PolarHBondContact O-N 2.94Å; R52-L304 PolarHBondContact NH1-O 2.81Å; R52-L304 VanDerWaalsContact NH2-C 3.28Å; R52-L304 PolarHBondContact NH2-O 2.87Å
53G96.4Very high96.9Very high63 Ų6333.1 Ų33.165%0.64917%0.17SC*.THydrogen-bonded Turntrans73.615.1176.500000114.4L49 K50 Q51L49-G53 PolarHBondContact O-N 3.35Å; K50-G53 WeakPolarHBondContact O-CA 3.34Å; K50-G53 PolarHBondContact O-N 3.26Å; Q51-G53 PolarHBondContact O-N 2.82Å
54K97.9Very high96.7Very high31 Ų3133.4 Ų33.414%0.13517%0.169CC..  trans-75.6138172-52.7-60-178.4-177.10109.3L18 V21 L49 R52L18-K54 WeakPolarHBondContact O-CE 3.45Å; L18-K54 PolarHBondContact O-NZ 2.89Å; V21-K54 PolarHBondContact O-NZ 2.73Å; L49-K54 HydrophobicContact CB-CB 4.24Å; L49-K54 HydrophobicContact CB-CG 4.37Å; L49-K54 HydrophobicContact CD2-CG 4.06Å; L49-K54 VanDerWaalsContact O-CB 3.29Å; L49-K54 WeakPolarHBondContact O-CB 3.3Å; L49-K54 WeakPolarHBondContact O-CG 3.42Å; L49-K54 PolarHBondContact O-N 3.18Å; R52-K54 VanDerWaalsContact C-N 3.28Å; R52-K54 PolarHBondContact O-N 2.94Å
55K98.3Very high96.6Very high96 Ų9631.3 Ų31.342%0.41716%0.162SC..EExtended strand (participates in β ladder)trans-76.9132.6166.7-58.8-179.6-179.9177.60108.8D22 S23 V24 F57 F233 L235D22-K55 PolarHBondContact O-N 2.75Å; S23-K55 CarbonylContact C-O 3.47Å; S23-K55 VanDerWaalsContact CA-O 3.26Å; S23-K55 WeakPolarHBondContact CA-O 3.43Å; V24-K55 PolarHBondContact N-O 3.22Å; K55-F57 HydrophobicContact CB-CE2 3.67Å; K55-F57 HydrophobicContact CB-CZ 3.87Å; K55-F57 HydrophobicContact CD-CE2 4.49Å; K55-F57 HydrophobicContact CD-CZ 4.23Å; K55-F233 PolarHBondContact NZ-O 2.87Å; K55-L235 HydrophobicContact CD-CD2 3.97Å
56V98.4Very high96.6Very high1 Ų131.9 Ų31.91%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-119.6133-179.4176.50000109V24 F26 I46 L49 K50 F58V24-V56 WeakPolarHBondContact O-CA 3.29Å; F26-V56 HydrophobicContact CD2-CG1 3.83Å; F26-V56 HydrophobicContact CE2-CG1 3.96Å; I46-V56 HydrophobicContact CG1-CG1 4.48Å; I46-V56 HydrophobicContact CG2-CG1 4.13Å; L49-V56 HydrophobicContact CB-CG2 4.13Å; K50-V56 HydrophobicContact CG-CB 4.2Å; K50-V56 HydrophobicContact CG-CG2 3.8Å; V56-F58 HydrophobicContact CG1-CE2 4.4Å; V56-F58 HydrophobicContact CG1-CZ 4.15Å
57F98.5Very high96.6Very high4 Ų433.5 Ų33.52%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-129.8146.1178.1-55.3-75.8000110.4V24 L25 F26 K55 E85 F87 V229 F233 L235V24-F57 PolarHBondContact O-N 3.13Å; L25-F57 CarbonylContact C-O 3.54Å; L25-F57 WeakPolarHBondContact CA-O 3.38Å; L25-F57 HydrophobicContact CG-CB 4.28Å; L25-F57 HydrophobicContact CG-CD2 4.38Å; F26-F57 PolarHBondContact N-O 3.27Å; K55-F57 HydrophobicContact CB-CE2 3.67Å; K55-F57 HydrophobicContact CB-CZ 3.87Å; K55-F57 HydrophobicContact CD-CE2 4.49Å; K55-F57 HydrophobicContact CD-CZ 4.23Å; F57-E85 CarbonylContact C-O 3.55Å; F57-E85 WeakPolarHBondContact CA-O 3.35Å; F57-F87 AromaticContact CD1-CE2 3.98Å; F57-F87 HydrophobicContact CD1-CE2 3.98Å; F57-V229 HydrophobicContact CB-CG1 4.26Å; F57-V229 HydrophobicContact CD1-CG1 3.73Å; F57-V229 HydrophobicContact CD2-CG1 3.7Å; F57-V229 HydrophobicContact CE1-CG1 3.95Å; F57-V229 HydrophobicContact CE2-CG1 3.9Å; F57-V229 HydrophobicContact CG-CG1 3.6Å; F57-V229 HydrophobicContact CZ-CG1 4.01Å; F57-F233 HydrophobicContact CD1-CD2 4.28Å; F57-F233 HydrophobicContact CD1-CE2 4.15Å; F57-F233 HydrophobicContact CE1-CB 4.46Å; F57-F233 HydrophobicContact CE1-CD1 4.19Å; F57-F233 AromaticContact CE1-CD2 3.37Å; F57-F233 HydrophobicContact CE1-CD2 3.37Å; F57-F233 HydrophobicContact CE1-CE1 4.26Å; F57-F233 AromaticContact CE1-CE2 3.44Å; F57-F233 HydrophobicContact CE1-CE2 3.44Å; F57-F233 VanDerWaalsContact CE1-CE2 3.44Å; F57-F233 AromaticContact CE1-CG 3.76Å; F57-F233 HydrophobicContact CE1-CG 3.76Å; F57-F233 AromaticContact CE1-CZ 3.9Å; F57-F233 HydrophobicContact CE1-CZ 3.9Å; F57-F233 HydrophobicContact CZ-CB 3.95Å; F57-F233 HydrophobicContact CZ-CD1 4.26Å; F57-F233 AromaticContact CZ-CD2 3.73Å; F57-F233 HydrophobicContact CZ-CD2 3.73Å; F57-F233 HydrophobicContact CZ-CE2 4.25Å; F57-F233 AromaticContact CZ-CG 3.72Å; F57-F233 HydrophobicContact CZ-CG 3.72Å; F57-L235 HydrophobicContact CD2-CD1 4.13Å; F57-L235 HydrophobicContact CE2-CD1 3.6Å; F57-L235 HydrophobicContact CE2-CD2 4.07Å; F57-L235 HydrophobicContact CE2-CG 4.41Å; F57-L235 HydrophobicContact CZ-CD1 4.26Å; F57-L235 HydrophobicContact CZ-CD2 4.3Å
58F98.4Very high96.5Very high0 Ų036.7 Ų36.70%018%0.181CC..EExtended strand (participates in β ladder)trans-109.4115.3178.4-57.4-80.8000109.1F26 I32 I46 V56 L74 A81 E85 V86 F87F26-F58 CarbonylContact O-C 3.56Å; F26-F58 WeakPolarHBondContact O-CA 3.44Å; I32-F58 HydrophobicContact CD1-CD1 3.61Å; I32-F58 HydrophobicContact CD1-CE1 3.77Å; I46-F58 HydrophobicContact CD1-CE1 3.71Å; I46-F58 HydrophobicContact CD1-CZ 4.19Å; I46-F58 HydrophobicContact CG2-CZ 4.21Å; V56-F58 HydrophobicContact CG1-CE2 4.4Å; V56-F58 HydrophobicContact CG1-CZ 4.15Å; F58-L74 HydrophobicContact CB-CD1 4.3Å; F58-L74 HydrophobicContact CD1-CD1 4.22Å; F58-L74 HydrophobicContact CD1-CD2 3.78Å; F58-L74 HydrophobicContact CD2-CD1 3.7Å; F58-L74 HydrophobicContact CD2-CD2 4.46Å; F58-L74 HydrophobicContact CE1-CD1 4.48Å; F58-L74 HydrophobicContact CE1-CD2 3.54Å; F58-L74 HydrophobicContact CE2-CD1 4.01Å; F58-L74 HydrophobicContact CE2-CD2 4.28Å; F58-L74 HydrophobicContact CG-CD1 3.8Å; F58-L74 HydrophobicContact CG-CD2 4.22Å; F58-L74 HydrophobicContact CZ-CD1 4.38Å; F58-L74 HydrophobicContact CZ-CD2 3.81Å; F58-A81 HydrophobicContact CD2-CB 4.22Å; F58-A81 HydrophobicContact CE2-CB 3.51Å; F58-A81 HydrophobicContact CZ-CB 4.08Å; F58-E85 HydrophobicContact CD2-CB 4.28Å; F58-E85 PolarHBondContact N-O 2.83Å; F58-V86 HydrophobicContact CB-CG2 4.47Å; F58-V86 HydrophobicContact CD2-CG2 4.34Å; F58-F87 PolarHBondContact O-N 3.47Å
59V97.5Very high96.5Very high0 Ų040.2 Ų40.20%020%0.198CC..EExtended strand (participates in β ladder)trans-118.7109.1-173-75.30000111L25 F26 D27 F87 K220 M225 V229 M242L25-V59 HydrophobicContact CB-CG2 4.01Å; L25-V59 HydrophobicContact CD2-CG1 3.98Å; F26-V59 WeakPolarHBondContact O-CG2 3.46Å; F26-V59 PolarHBondContact O-N 2.99Å; D27-V59 WeakPolarHBondContact CA-O 3.32Å; D27-V59 VanDerWaalsContact OD1-O 3.14Å; V59-F87 WeakPolarHBondContact CA-O 3.28Å; V59-F87 HydrophobicContact CG1-CB 3.98Å; V59-K220 PolarHBondContact O-NZ 2.78Å; V59-M225 HydrophobicContact CB-CG 4.46Å; V59-M225 HydrophobicContact CB-SD 3.77Å; V59-M225 HydrophobicContact CG1-CG 4.25Å; V59-M225 HydrophobicContact CG1-SD 4.21Å; V59-V229 HydrophobicContact CG1-CG2 4.28Å; V59-M242 HydrophobicContact CG2-CE 3.75Å; V59-M242 HydrophobicContact CG2-SD 3.9Å
60T95.9Very high96.5Very high2 Ų240.3 Ų40.31%0.01220%0.199CC..EExtended strand (participates in β ladder)trans-124.3138.9-173.9-178.20000112.9N62 Y70 F87 G88 T89 M225T60-N62 PolarHBondContact O-N 2.96Å; T60-N62 WeakPolarHBondContact OG1-CB 3.29Å; T60-N62 PolarHBondContact OG1-N 3.13Å; T60-N62 VanDerWaalsContact OG1-N 3.15Å; T60-Y70 HydrophobicContact CG2-CD2 4.34Å; T60-Y70 HydrophobicContact CG2-CE1 4.32Å; T60-Y70 HydrophobicContact CG2-CE2 3.77Å; T60-F87 PolarHBondContact N-O 2.89Å; T60-G88 WeakPolarHBondContact O-CA 3.26Å; T60-T89 PolarHBondContact O-N 3.21Å; T60-T89 VanDerWaalsContact O-N 3.1Å; T60-M225 WeakPolarHBondContact O-CE 3.48Å
61N95.8Very high96.5Very high8 Ų838.7 Ų38.74%0.04319%0.193CC..  trans-74.9-10.5171.7-932000113.5S63 T89 N184 D186 G219 K220N61-S63 PolarHBondContact O-N 3.3Å; N61-T89 HydrophobicContact CB-CG2 4.4Å; N61-T89 PolarHBondContact O-OG1 2.91Å; N61-N184 HydrophobicContact CB-CB 4.04Å; N61-N184 PolarHBondContact O-ND2 3Å; N61-D186 VanDerWaalsContact CB-OD2 3.22Å; N61-D186 WeakPolarHBondContact CB-OD2 3.42Å; N61-D186 PolarHBondContact ND2-OD2 2.95Å; N61-G219 WeakPolarHBondContact OD1-CA 3.35Å; N61-K220 PolarHBondContact ND2-O 3.33Å; N61-K220 PolarHBondContact OD1-N 2.86Å
62N91.8Very high96.5Very high24 Ų2436.4 Ų36.413%0.12819%0.185CC..  trans-77.8123.6-176.3-175.3-16.5000111.4T60 T64 Y70T60-N62 PolarHBondContact O-N 2.96Å; T60-N62 WeakPolarHBondContact OG1-CB 3.29Å; T60-N62 PolarHBondContact OG1-N 3.13Å; T60-N62 VanDerWaalsContact OG1-N 3.15Å; N62-T64 VanDerWaalsContact OD1-CB 3.3Å; N62-T64 WeakPolarHBondContact OD1-CB 3.49Å; N62-T64 VanDerWaalsContact OD1-CG2 3.24Å; N62-T64 WeakPolarHBondContact OD1-CG2 3.47Å; N62-T64 PolarHBondContact OD1-N 2.78Å; N62-T64 PolarHBondContact OD1-OG1 3.06Å; N62-Y70 WeakPolarHBondContact CB-OH 3.4Å; N62-Y70 PolarHBondContact ND2-OH 2.92Å; N62-Y70 PolarHBondContact O-OH 3Å; N62-Y70 PolarHBondContact OD1-OH 3.45Å
63S93.3Very high96.5Very high0 Ų032 Ų320%017%0.169CC..  trans-103.117.5-176.173.10000113.2N61 T89 S112 M115 F157N61-S63 PolarHBondContact O-N 3.3Å; S63-T89 WeakPolarHBondContact CB-OG1 3.28Å; S63-S112 PolarHBondContact O-OG 2.85Å; S63-M115 VanDerWaalsContact CB-SD 3.6Å; S63-M115 VanDerWaalsContact O-CG 3.26Å; S63-M115 WeakPolarHBondContact O-CG 3.2Å; S63-M115 PolarHBondContact OG-SD 3.46Å; S63-M115 VanDerWaalsContact OG-SD 3.41Å; S63-F157 PolarHBondContact OG-N 3.49Å; S63-F157 VanDerWaalsContact OG-N 3.09Å
64T92.8Very high96.6Very high34 Ų3429 Ų2921%0.20914%0.139CC..SBendtrans-87.7-9.8-174.560.80000114.3N62 A114 F157N62-T64 VanDerWaalsContact OD1-CB 3.3Å; N62-T64 WeakPolarHBondContact OD1-CB 3.49Å; N62-T64 VanDerWaalsContact OD1-CG2 3.24Å; N62-T64 WeakPolarHBondContact OD1-CG2 3.47Å; N62-T64 PolarHBondContact OD1-N 2.78Å; N62-T64 PolarHBondContact OD1-OG1 3.06Å; T64-A114 WeakPolarHBondContact O-CB 3.2Å; T64-F157 HydrophobicContact CG2-CB 4.19Å; T64-F157 HydrophobicContact CG2-CD1 3.53Å; T64-F157 HydrophobicContact CG2-CE1 4.19Å; T64-F157 HydrophobicContact CG2-CG 4.05Å
65K96Very high96.5Very high59 Ų5930.8 Ų30.826%0.25716%0.155SC..SBendtrans-136.5149.7-175.6-66.7-179.2180620110.8M69 Y70K65-M69 HydrophobicContact CB-CB 3.88Å; K65-M69 HydrophobicContact CB-CE 4.47Å; K65-M69 HydrophobicContact CB-SD 4.4Å; K65-M69 HydrophobicContact CD-CB 4.45Å; K65-M69 HydrophobicContact CG-CB 4.29Å; K65-M69 HydrophobicContact CG-CE 4.05Å; K65-Y70 HydrophobicContact CB-CD1 4.43Å; K65-Y70 HydrophobicContact CB-CD2 3.72Å; K65-Y70 HydrophobicContact CB-CE1 4.26Å; K65-Y70 HydrophobicContact CB-CE2 3.53Å; K65-Y70 HydrophobicContact CB-CG 4.15Å; K65-Y70 HydrophobicContact CD-CD1 4.16Å; K65-Y70 HydrophobicContact CD-CE1 3.96Å
66T97.8Very high96.4Very high13 Ų1330.7 Ų30.78%0.0817%0.166CC..  trans-73.1164.6169.165.10000109.7K68 M69 Y70 A114 Q117 E118T66-K68 PolarHBondContact O-N 3.07Å; T66-M69 HydrophobicContact CG2-SD 4.17Å; T66-M69 PolarHBondContact O-N 3.18Å; T66-M69 VanDerWaalsContact OG1-CG 3.26Å; T66-M69 WeakPolarHBondContact OG1-CG 3.41Å; T66-M69 PolarHBondContact OG1-N 2.7Å; T66-Y70 WeakPolarHBondContact O-CD2 3.41Å; T66-Y70 PolarHBondContact O-N 3.21Å; T66-A114 HydrophobicContact CG2-CB 3.98Å; T66-Q117 HydrophobicContact CG2-CB 3.89Å; T66-E118 WeakPolarHBondContact CA-OE1 3.48Å; T66-E118 VanDerWaalsContact CB-OE1 3.32Å; T66-E118 WeakPolarHBondContact CB-OE1 3.45Å; T66-E118 HydrophobicContact CG2-CG 4.28Å
67R96.8Very high96.3Very high35 Ų3532.2 Ų32.213%0.13217%0.174CC..Hα-helixtrans-56-42.4173.5-69.5-175.9-70.6145.36.6111.4M69 Y70 A71 E83 V86 F91 E118R67-M69 PolarHBondContact O-N 3.31Å; R67-Y70 PolarHBondContact O-N 2.98Å; R67-A71 PolarHBondContact O-N 3.28Å; R67-E83 HydrophobicContact CB-CG 3.68Å; R67-E83 IonicContact NH2-OE1 2.75Å; R67-V86 HydrophobicContact CB-CB 4.37Å; R67-V86 WeakPolarHBondContact CD-O 3.45Å; R67-V86 HydrophobicContact CG-CB 4.44Å; R67-V86 HydrophobicContact CG-CG1 4.4Å; R67-V86 WeakPolarHBondContact CG-O 3.32Å; R67-F91 HydrophobicContact CG-CB 3.78Å; R67-F91 HydrophobicContact CG-CG 4.1Å; R67-F91 VanDerWaalsContact CZ-CD2 3.43Å; R67-F91 VanDerWaalsContact CZ-CE2 3.4Å; R67-F91 VanDerWaalsContact NE-CG 3.34Å; R67-E118 PolarHBondContact N-OE1 2.83Å; R67-E118 IonicContact NE-OE1 2.81Å; R67-E118 IonicContact NE-OE2 3.31Å
68K97.2Very high96.2Very high103 Ų10334.6 Ų34.645%0.44820%0.2SC..Hα-helixtrans-58.4-49.9175.4178163.8173.138.70111.9T66 Y70 A71 D72 E83T66-K68 PolarHBondContact O-N 3.07Å; K68-Y70 VanDerWaalsContact C-N 3.27Å; K68-Y70 PolarHBondContact O-N 3.39Å; K68-A71 PolarHBondContact O-N 2.7Å; K68-D72 IonicContact NZ-OD1 2.74Å; K68-D72 PolarHBondContact NZ-OD1 3.42Å; K68-D72 VanDerWaalsContact NZ-OD1 3.14Å; K68-D72 IonicContact NZ-OD2 3.97Å; K68-D72 PolarHBondContact NZ-OD2 2.81Å; K68-D72 VanDerWaalsContact O-CG 3.24Å; K68-D72 PolarHBondContact O-N 2.85Å; K68-E83 HydrophobicContact CB-CG 4.49Å
69M97.3Very high96.1Very high82 Ų8234.7 Ų34.740%0.40420%0.2SC..Hα-helixtrans-62.2-35179.4-70.5169.278.100112.4K65 T66 R67 K73 A114K65-M69 HydrophobicContact CB-CB 3.88Å; K65-M69 HydrophobicContact CB-CE 4.47Å; K65-M69 HydrophobicContact CB-SD 4.4Å; K65-M69 HydrophobicContact CD-CB 4.45Å; K65-M69 HydrophobicContact CG-CB 4.29Å; K65-M69 HydrophobicContact CG-CE 4.05Å; T66-M69 HydrophobicContact CG2-SD 4.17Å; T66-M69 PolarHBondContact O-N 3.18Å; T66-M69 VanDerWaalsContact OG1-CG 3.26Å; T66-M69 WeakPolarHBondContact OG1-CG 3.41Å; T66-M69 PolarHBondContact OG1-N 2.7Å; R67-M69 PolarHBondContact O-N 3.31Å; M69-K73 WeakPolarHBondContact O-CB 3.18Å; M69-K73 PolarHBondContact O-N 2.95Å; M69-A114 HydrophobicContact SD-CB 4.48Å
70Y97.1Very high95.9Very high3 Ų340.1 Ų40.11%0.01223%0.229CC..Hα-helixtrans-70.1-41.3173.9-87.3-58.2000112.9W33 T60 N62 K65 T66 R67 K68 D72 K73 L74 V86W33-Y70 HydrophobicContact CH2-CD1 4.17Å; W33-Y70 HydrophobicContact CH2-CE1 4.5Å; W33-Y70 HydrophobicContact CZ2-CD1 4.36Å; W33-Y70 HydrophobicContact CZ2-CE1 4.24Å; T60-Y70 HydrophobicContact CG2-CD2 4.34Å; T60-Y70 HydrophobicContact CG2-CE1 4.32Å; T60-Y70 HydrophobicContact CG2-CE2 3.77Å; N62-Y70 WeakPolarHBondContact CB-OH 3.4Å; N62-Y70 PolarHBondContact ND2-OH 2.92Å; N62-Y70 PolarHBondContact O-OH 3Å; N62-Y70 PolarHBondContact OD1-OH 3.45Å; K65-Y70 HydrophobicContact CB-CD1 4.43Å; K65-Y70 HydrophobicContact CB-CD2 3.72Å; K65-Y70 HydrophobicContact CB-CE1 4.26Å; K65-Y70 HydrophobicContact CB-CE2 3.53Å; K65-Y70 HydrophobicContact CB-CG 4.15Å; K65-Y70 HydrophobicContact CD-CD1 4.16Å; K65-Y70 HydrophobicContact CD-CE1 3.96Å; T66-Y70 WeakPolarHBondContact O-CD2 3.41Å; T66-Y70 PolarHBondContact O-N 3.21Å; R67-Y70 PolarHBondContact O-N 2.98Å; K68-Y70 VanDerWaalsContact C-N 3.27Å; K68-Y70 PolarHBondContact O-N 3.39Å; Y70-D72 VanDerWaalsContact C-N 3.32Å; Y70-K73 PolarHBondContact O-N 3.46Å; Y70-L74 WeakPolarHBondContact O-CB 3.42Å; Y70-L74 WeakPolarHBondContact O-CD1 3.45Å; Y70-L74 WeakPolarHBondContact O-CG 3.34Å; Y70-L74 PolarHBondContact O-N 3.42Å; Y70-V86 HydrophobicContact CD2-CG1 4.19Å; Y70-V86 HydrophobicContact CG-CG1 4.16Å
71A97.1Very high95.8Very high8 Ų840.5 Ų40.57%0.06623%0.233CC..Hα-helixtrans-62.1-41.2174.500000111.6R67 K68 L74 S75 E83 V86R67-A71 PolarHBondContact O-N 3.28Å; K68-A71 PolarHBondContact O-N 2.7Å; A71-L74 PolarHBondContact O-N 2.93Å; A71-S75 WeakPolarHBondContact O-CB 3.25Å; A71-S75 PolarHBondContact O-N 3.38Å; A71-S75 PolarHBondContact O-OG 3.05Å; A71-E83 HydrophobicContact CB-CB 4.41Å; A71-V86 HydrophobicContact CB-CG2 4.38Å
72D96.7Very high95.7Very high80 Ų8042.1 Ų42.143%0.42825%0.247SC..Hα-helixtrans-62.9-42.2174.1-65.1-24.3000110.6K68 Y70 S75 S76K68-D72 IonicContact NZ-OD1 2.74Å; K68-D72 PolarHBondContact NZ-OD1 3.42Å; K68-D72 VanDerWaalsContact NZ-OD1 3.14Å; K68-D72 IonicContact NZ-OD2 3.97Å; K68-D72 PolarHBondContact NZ-OD2 2.81Å; K68-D72 VanDerWaalsContact O-CG 3.24Å; K68-D72 PolarHBondContact O-N 2.85Å; Y70-D72 VanDerWaalsContact C-N 3.32Å; D72-S75 PolarHBondContact O-N 2.95Å; D72-S76 PolarHBondContact O-N 3.47Å
73K96.1Very high96Very high26 Ų2644.9 Ų44.911%0.11326%0.259CS..Hα-helixtrans-62.2-50173.9-179.5174.9177165.40112.1W33 G35 D36 M69 Y70 S75 S76 L77W33-K73 HydrophobicContact CH2-CD 4.44Å; W33-K73 HydrophobicContact CZ2-CD 4.38Å; G35-K73 PolarHBondContact O-NZ 2.99Å; D36-K73 IonicContact OD1-NZ 2.7Å; D36-K73 PolarHBondContact OD1-NZ 2.97Å; M69-K73 WeakPolarHBondContact O-CB 3.18Å; M69-K73 PolarHBondContact O-N 2.95Å; Y70-K73 PolarHBondContact O-N 3.46Å; K73-S75 VanDerWaalsContact C-N 3.28Å; K73-S75 PolarHBondContact O-N 3.23Å; K73-S76 PolarHBondContact O-N 2.83Å; K73-S76 VanDerWaalsContact O-N 3.14Å; K73-S76 PolarHBondContact O-OG 3.06Å; K73-L77 HydrophobicContact CG-CD1 4.11Å; K73-L77 WeakPolarHBondContact O-CG 3.36Å; K73-L77 PolarHBondContact O-N 3.25Å; K73-L77 VanDerWaalsContact O-N 3.12Å
74L97.2Very high96.1Very high1 Ų147.9 Ų47.91%0.00528%0.275CS..Hα-helixtrans-52.9-48.2176.5-81.7156.8000110.7I32 W33 F58 Y70 A71 S76 L77 G78 F79 A81 V86I32-L74 HydrophobicContact CD1-CD2 3.73Å; W33-L74 HydrophobicContact CE3-CD2 4.39Å; W33-L74 HydrophobicContact CH2-CD2 4.34Å; W33-L74 HydrophobicContact CH2-CG 4.28Å; W33-L74 HydrophobicContact CZ3-CD2 3.52Å; W33-L74 HydrophobicContact CZ3-CG 3.77Å; F58-L74 HydrophobicContact CB-CD1 4.3Å; F58-L74 HydrophobicContact CD1-CD1 4.22Å; F58-L74 HydrophobicContact CD1-CD2 3.78Å; F58-L74 HydrophobicContact CD2-CD1 3.7Å; F58-L74 HydrophobicContact CD2-CD2 4.46Å; F58-L74 HydrophobicContact CE1-CD1 4.48Å; F58-L74 HydrophobicContact CE1-CD2 3.54Å; F58-L74 HydrophobicContact CE2-CD1 4.01Å; F58-L74 HydrophobicContact CE2-CD2 4.28Å; F58-L74 HydrophobicContact CG-CD1 3.8Å; F58-L74 HydrophobicContact CG-CD2 4.22Å; F58-L74 HydrophobicContact CZ-CD1 4.38Å; F58-L74 HydrophobicContact CZ-CD2 3.81Å; Y70-L74 WeakPolarHBondContact O-CB 3.42Å; Y70-L74 WeakPolarHBondContact O-CD1 3.45Å; Y70-L74 WeakPolarHBondContact O-CG 3.34Å; Y70-L74 PolarHBondContact O-N 3.42Å; A71-L74 PolarHBondContact O-N 2.93Å; L74-S76 PolarHBondContact O-N 2.8Å; L74-L77 CarbonylContact O-C 3.58Å; L74-L77 PolarHBondContact O-N 2.81Å; L74-L77 VanDerWaalsContact O-N 3.1Å; L74-G78 PolarHBondContact O-N 3.08Å; L74-F79 CarbonylContact C-O 3.4Å; L74-F79 HydrophobicContact CB-CB 4.08Å; L74-F79 HydrophobicContact CD2-CB 3.83Å; L74-F79 HydrophobicContact CD2-CD2 3.93Å; L74-F79 HydrophobicContact CD2-CG 3.87Å; L74-F79 WeakPolarHBondContact O-CB 3.39Å; L74-F79 WeakPolarHBondContact O-CD2 3.35Å; L74-F79 PolarHBondContact O-N 3.22Å; L74-A81 HydrophobicContact CB-CB 3.61Å; L74-A81 HydrophobicContact CD1-CB 3.66Å; L74-A81 HydrophobicContact CD2-CB 4.43Å; L74-A81 HydrophobicContact CG-CB 4.09Å; L74-V86 HydrophobicContact CD1-CG2 3.72Å
75S95.9Very high96.3Very high67 Ų6747.9 Ų47.947%0.46927%0.273SS..Hα-helixtrans-59.8-44.6177.6-60.10000112A71 D72 K73 L77 G78 F79A71-S75 WeakPolarHBondContact O-CB 3.25Å; A71-S75 PolarHBondContact O-N 3.38Å; A71-S75 PolarHBondContact O-OG 3.05Å; D72-S75 PolarHBondContact O-N 2.95Å; K73-S75 VanDerWaalsContact C-N 3.28Å; K73-S75 PolarHBondContact O-N 3.23Å; S75-L77 PolarHBondContact O-N 2.95Å; S75-G78 PolarHBondContact O-N 3.4Å; S75-F79 WeakPolarHBondContact CA-O 3.37Å
76S96.3Very high96.4Very high95 Ų9545.2 Ų45.266%0.66426%0.261SS*.Hα-helixtrans-62.8-24.7178.275.70000113.6D72 K73 L74D72-S76 PolarHBondContact O-N 3.47Å; K73-S76 PolarHBondContact O-N 2.83Å; K73-S76 VanDerWaalsContact O-N 3.14Å; K73-S76 PolarHBondContact O-OG 3.06Å; L74-S76 PolarHBondContact O-N 2.8Å
77L96.5Very high96.4Very high32 Ų3244.7 Ų44.717%0.16826%0.258CS..THydrogen-bonded Turntrans-93.87.7177.3-64.6177.5000113.3W33 D36 A38 K73 L74 S75 F79W33-L77 HydrophobicContact CB-CD1 4.12Å; W33-L77 HydrophobicContact CD2-CD1 4.13Å; W33-L77 HydrophobicContact CE3-CD1 3.67Å; W33-L77 HydrophobicContact CG-CD1 4.34Å; W33-L77 HydrophobicContact CZ3-CD1 4.41Å; D36-L77 VanDerWaalsContact O-CD2 3.29Å; D36-L77 WeakPolarHBondContact O-CD2 3.38Å; A38-L77 HydrophobicContact CB-CB 4.34Å; K73-L77 HydrophobicContact CG-CD1 4.11Å; K73-L77 WeakPolarHBondContact O-CG 3.36Å; K73-L77 PolarHBondContact O-N 3.25Å; K73-L77 VanDerWaalsContact O-N 3.12Å; L74-L77 CarbonylContact O-C 3.58Å; L74-L77 PolarHBondContact O-N 2.81Å; L74-L77 VanDerWaalsContact O-N 3.1Å; S75-L77 PolarHBondContact O-N 2.95Å; L77-F79 HydrophobicContact CB-CD2 3.67Å; L77-F79 HydrophobicContact CB-CE2 3.63Å; L77-F79 HydrophobicContact CD1-CE2 4.43Å
78G96.2Very high96.3Very high54 Ų5443.1 Ų43.156%0.55725%0.253SS*.THydrogen-bonded Turntrans84.811.3176.800000114.9L74 S75L74-G78 PolarHBondContact O-N 3.08Å; S75-G78 PolarHBondContact O-N 3.4Å
79F97.1Very high96.3Very high3 Ų338.2 Ų38.21%0.01323%0.231CC..  trans-87.8125.4172.6-56.8-87.8000109.8I32 A38 A42 A43 I46 L74 S75 L77 A81I32-F79 HydrophobicContact CB-CE1 4Å; I32-F79 HydrophobicContact CB-CZ 3.85Å; I32-F79 HydrophobicContact CG1-CZ 4.24Å; I32-F79 WeakPolarHBondContact O-CZ 3.34Å; A38-F79 HydrophobicContact CB-CE2 4.08Å; A38-F79 HydrophobicContact CB-CZ 4.23Å; A42-F79 HydrophobicContact CB-CE1 3.82Å; A42-F79 HydrophobicContact CB-CZ 3.86Å; A43-F79 VanDerWaalsContact CA-CE1 3.4Å; A43-F79 HydrophobicContact CB-CD1 3.92Å; A43-F79 HydrophobicContact CB-CE1 3.86Å; A43-F79 HydrophobicContact CB-CG 4.36Å; A43-F79 HydrophobicContact CB-CZ 4.26Å; A43-F79 VanDerWaalsContact N-CE1 3.31Å; I46-F79 HydrophobicContact CB-CD1 4.39Å; I46-F79 HydrophobicContact CD1-CD1 3.5Å; I46-F79 VanDerWaalsContact CD1-CD1 3.5Å; I46-F79 HydrophobicContact CD1-CE1 3.58Å; L74-F79 CarbonylContact C-O 3.4Å; L74-F79 HydrophobicContact CB-CB 4.08Å; L74-F79 HydrophobicContact CD2-CB 3.83Å; L74-F79 HydrophobicContact CD2-CD2 3.93Å; L74-F79 HydrophobicContact CD2-CG 3.87Å; L74-F79 WeakPolarHBondContact O-CB 3.39Å; L74-F79 WeakPolarHBondContact O-CD2 3.35Å; L74-F79 PolarHBondContact O-N 3.22Å; S75-F79 WeakPolarHBondContact CA-O 3.37Å; L77-F79 HydrophobicContact CB-CD2 3.67Å; L77-F79 HydrophobicContact CB-CE2 3.63Å; L77-F79 HydrophobicContact CD1-CE2 4.43Å; F79-A81 PolarHBondContact O-N 3.05Å; F79-A81 VanDerWaalsContact O-N 3.14Å
80D92.4Very high96.3Very high114 Ų11434.4 Ų34.461%0.6121%0.213SC*.  trans-71.5102.9165.4176.225.7000108.2K50K50-D80 WeakPolarHBondContact CE-O 3.49Å; K50-D80 PolarHBondContact NZ-O 2.95Å
81A93.7Very high96.2Very high10 Ų1035.2 Ų35.28%0.08322%0.217CC..  trans-140128.8-176.300000111.8F58 L74 F79 E85F58-A81 HydrophobicContact CD2-CB 4.22Å; F58-A81 HydrophobicContact CE2-CB 3.51Å; F58-A81 HydrophobicContact CZ-CB 4.08Å; L74-A81 HydrophobicContact CB-CB 3.61Å; L74-A81 HydrophobicContact CD1-CB 3.66Å; L74-A81 HydrophobicContact CD2-CB 4.43Å; L74-A81 HydrophobicContact CG-CB 4.09Å; F79-A81 PolarHBondContact O-N 3.05Å; F79-A81 VanDerWaalsContact O-N 3.14Å; A81-E85 WeakPolarHBondContact CA-OE2 3.29Å
82A95.3Very high96.2Very high42 Ų4234.8 Ų34.835%0.34721%0.213SC..  trans-92.6155.9172.700000111.3D84 E85A82-D84 WeakPolarHBondContact CB-OD1 3.24Å; A82-D84 PolarHBondContact O-N 3.16Å; A82-E85 HydrophobicContact CB-CG 4.2Å; A82-E85 PolarHBondContact N-OE2 3.28Å; A82-E85 WeakPolarHBondContact O-CB 3.49Å; A82-E85 PolarHBondContact O-N 2.95Å
83E96.4Very high96.2Very high81 Ų8131 Ų3138%0.37919%0.193SC..G310 helixtrans-59.3-34.3-180-175.4-178.814400112.9R67 K68 A71 E85 V86R67-E83 HydrophobicContact CB-CG 3.68Å; R67-E83 IonicContact NH2-OE1 2.75Å; K68-E83 HydrophobicContact CB-CG 4.49Å; A71-E83 HydrophobicContact CB-CB 4.41Å; E83-E85 PolarHBondContact O-N 2.87Å; E83-V86 PolarHBondContact O-N 3.14Å
84D95.9Very high96.3Very high63 Ų6329.8 Ų29.834%0.33719%0.188SC..G310 helixtrans-76.7-9.1179.567.4-27.7000113.8A82 F87 F233A82-D84 WeakPolarHBondContact CB-OD1 3.24Å; A82-D84 PolarHBondContact O-N 3.16Å; D84-F87 WeakPolarHBondContact O-CE2 3.4Å; D84-F233 HydrophobicContact CB-CZ 4.27Å; D84-F233 WeakPolarHBondContact O-CE2 3.49Å; D84-F233 VanDerWaalsContact O-CZ 3.3Å; D84-F233 WeakPolarHBondContact O-CZ 3.37Å
85E97.4Very high96.2Very high35 Ų3530.4 Ų30.416%0.16419%0.193CC..G310 helixtrans-87.9-7.6172.1-61.1174.9144.100112.3K50 F57 F58 A81 A82 E83K50-E85 WeakPolarHBondContact CE-OE1 3.41Å; K50-E85 IonicContact NZ-OE1 3.22Å; K50-E85 PolarHBondContact NZ-OE1 2.93Å; K50-E85 IonicContact NZ-OE2 2.85Å; K50-E85 PolarHBondContact NZ-OE2 3.39Å; F57-E85 CarbonylContact C-O 3.55Å; F57-E85 WeakPolarHBondContact CA-O 3.35Å; F58-E85 HydrophobicContact CD2-CB 4.28Å; F58-E85 PolarHBondContact N-O 2.83Å; A81-E85 WeakPolarHBondContact CA-OE2 3.29Å; A82-E85 HydrophobicContact CB-CG 4.2Å; A82-E85 PolarHBondContact N-OE2 3.28Å; A82-E85 WeakPolarHBondContact O-CB 3.49Å; A82-E85 PolarHBondContact O-N 2.95Å; E83-E85 PolarHBondContact O-N 2.87Å
86V97.7Very high96.3Very high2 Ų229.4 Ų29.41%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-102127-176.7-1770000112F58 R67 Y70 A71 L74 E83F58-V86 HydrophobicContact CB-CG2 4.47Å; F58-V86 HydrophobicContact CD2-CG2 4.34Å; R67-V86 HydrophobicContact CB-CB 4.37Å; R67-V86 WeakPolarHBondContact CD-O 3.45Å; R67-V86 HydrophobicContact CG-CB 4.44Å; R67-V86 HydrophobicContact CG-CG1 4.4Å; R67-V86 WeakPolarHBondContact CG-O 3.32Å; Y70-V86 HydrophobicContact CD2-CG1 4.19Å; Y70-V86 HydrophobicContact CG-CG1 4.16Å; A71-V86 HydrophobicContact CB-CG2 4.38Å; L74-V86 HydrophobicContact CD1-CG2 3.72Å; E83-V86 PolarHBondContact O-N 3.14Å
87F97.1Very high96.4Very high2 Ų224.9 Ų24.91%0.00915%0.148CC..EExtended strand (participates in β ladder)trans-127.882.5-179.6-71.4-97.5000110.1F57 F58 V59 T60 D84 F91 C228 V229 F233F57-F87 AromaticContact CD1-CE2 3.98Å; F57-F87 HydrophobicContact CD1-CE2 3.98Å; F58-F87 PolarHBondContact O-N 3.47Å; V59-F87 WeakPolarHBondContact CA-O 3.28Å; V59-F87 HydrophobicContact CG1-CB 3.98Å; T60-F87 PolarHBondContact N-O 2.89Å; D84-F87 WeakPolarHBondContact O-CE2 3.4Å; F87-F91 HydrophobicContact CD1-CD1 4.11Å; F87-F91 AromaticContact CD1-CE1 3.85Å; F87-F91 HydrophobicContact CD1-CE1 3.85Å; F87-F91 AromaticContact CE1-CE1 3.87Å; F87-F91 HydrophobicContact CE1-CE1 3.87Å; F87-C228 HydrophobicContact CD1-CB 4Å; F87-C228 HydrophobicContact CE1-CB 3.98Å; F87-V229 HydrophobicContact CB-CG2 4.31Å; F87-V229 HydrophobicContact CD1-CG2 3.68Å; F87-V229 HydrophobicContact CD2-CG2 3.73Å; F87-V229 HydrophobicContact CE1-CB 4.3Å; F87-V229 HydrophobicContact CE1-CG2 3.8Å; F87-V229 HydrophobicContact CE2-CB 4.35Å; F87-V229 HydrophobicContact CE2-CG1 4.08Å; F87-V229 HydrophobicContact CE2-CG2 3.86Å; F87-V229 HydrophobicContact CG-CG2 3.63Å; F87-V229 HydrophobicContact CZ-CB 4.15Å; F87-V229 HydrophobicContact CZ-CG1 4.19Å; F87-V229 HydrophobicContact CZ-CG2 3.88Å; F87-F233 AromaticContact CE2-CE2 3.87Å; F87-F233 HydrophobicContact CE2-CE2 3.87Å; F87-F233 HydrophobicContact CZ-CD2 4.21Å; F87-F233 AromaticContact CZ-CE2 3.7Å; F87-F233 HydrophobicContact CZ-CE2 3.7Å
88G96.1Very high96.4Very high2 Ų229 Ų292%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-86.1154.9170.100000112.1T60 A90 F91 C92T60-G88 WeakPolarHBondContact O-CA 3.26Å; G88-A90 PolarHBondContact O-N 2.87Å; G88-F91 PolarHBondContact O-N 3.31Å; G88-F91 VanDerWaalsContact O-N 3.12Å; G88-C92 PolarHBondContact O-N 2.85Å
89T96.5Very high96.2Very high0 Ų030.7 Ų30.70%016%0.164CC..Hα-helixtrans-61.4-24.6177.949.70000114.3T60 N61 S63 C93 T183 M225T60-T89 PolarHBondContact O-N 3.21Å; T60-T89 VanDerWaalsContact O-N 3.1Å; N61-T89 HydrophobicContact CB-CG2 4.4Å; N61-T89 PolarHBondContact O-OG1 2.91Å; S63-T89 WeakPolarHBondContact CB-OG1 3.28Å; T89-C93 WeakPolarHBondContact O-CB 3.5Å; T89-C93 PolarHBondContact O-N 2.92Å; T89-T183 WeakPolarHBondContact CG2-O 3.49Å; T89-M225 HydrophobicContact CG2-CE 3.52Å
90A96.8Very high96.1Very high2 Ų235.3 Ų35.32%0.01719%0.186CC..Hα-helixtrans-59.3-52.2171.700000111.2G88 C93 A94 M115 E118G88-A90 PolarHBondContact O-N 2.87Å; A90-C93 PolarHBondContact O-N 3.45Å; A90-A94 PolarHBondContact O-N 2.87Å; A90-M115 HydrophobicContact CB-CG 3.76Å; A90-E118 HydrophobicContact CB-CB 4.41Å; A90-E118 HydrophobicContact CB-CG 3.95Å
91F96.4Very high96.2Very high20 Ų2031.8 Ų31.89%0.08817%0.17CC..Hα-helixtrans-64.7-48175.5168.2-107.8000112.2R67 F87 G88 C93 A94 A95 E118R67-F91 HydrophobicContact CG-CB 3.78Å; R67-F91 HydrophobicContact CG-CG 4.1Å; R67-F91 VanDerWaalsContact CZ-CD2 3.43Å; R67-F91 VanDerWaalsContact CZ-CE2 3.4Å; R67-F91 VanDerWaalsContact NE-CG 3.34Å; F87-F91 HydrophobicContact CD1-CD1 4.11Å; F87-F91 AromaticContact CD1-CE1 3.85Å; F87-F91 HydrophobicContact CD1-CE1 3.85Å; F87-F91 AromaticContact CE1-CE1 3.87Å; F87-F91 HydrophobicContact CE1-CE1 3.87Å; G88-F91 PolarHBondContact O-N 3.31Å; G88-F91 VanDerWaalsContact O-N 3.12Å; F91-C93 VanDerWaalsContact C-N 3.26Å; F91-C93 PolarHBondContact O-N 2.95Å; F91-A94 WeakPolarHBondContact O-CB 3.25Å; F91-A94 PolarHBondContact O-N 3.16Å; F91-A94 VanDerWaalsContact O-N 3.13Å; F91-A95 HydrophobicContact CZ-CB 4.48Å; F91-A95 PolarHBondContact O-N 2.9Å; F91-E118 HydrophobicContact CB-CG 4.48Å; F91-E118 WeakPolarHBondContact CD2-OE2 3.47Å
92C96.5Very high96.4Very high0 Ų033.4 Ų33.40%019%0.187CC..Hα-helixtrans-60.4-38-179.9-65.70000111.3G88 A95 Y96 F224G88-C92 PolarHBondContact O-N 2.85Å; C92-A95 PolarHBondContact O-N 2.86Å; C92-Y96 VanDerWaalsContact O-CB 3.29Å; C92-Y96 WeakPolarHBondContact O-CB 3.3Å; C92-Y96 PolarHBondContact O-N 3.27Å; C92-F224 HydrophobicContact CB-CD1 4.42Å; C92-F224 HydrophobicContact CB-CE1 4.2Å; C92-F224 VanDerWaalsContact O-CE1 3.24Å; C92-F224 WeakPolarHBondContact O-CE1 3.35Å
93C97.4Very high96.5Very high1 Ų131.7 Ų31.71%0.00717%0.172CC..Hα-helixtrans-62.8-44.6175.6-170.30000111.9T89 A90 F91 Y96 L97 V154 T183 V218T89-C93 WeakPolarHBondContact O-CB 3.5Å; T89-C93 PolarHBondContact O-N 2.92Å; A90-C93 PolarHBondContact O-N 3.45Å; F91-C93 VanDerWaalsContact C-N 3.26Å; F91-C93 PolarHBondContact O-N 2.95Å; C93-Y96 PolarHBondContact O-N 3Å; C93-L97 WeakPolarHBondContact O-CG 3.41Å; C93-L97 PolarHBondContact O-N 2.72Å; C93-V154 VanDerWaalsContact SG-CG1 3.52Å; C93-T183 HydrophobicContact CB-CG2 4.47Å; C93-V218 HydrophobicContact CB-CG2 3.92Å
94A97.4Very high96.4Very high0 Ų038.8 Ų38.80%020%0.195CC..Hα-helixtrans-61.4-45175.600000112.1A90 F91 Y96 L97 R98 E118 L119 V122A90-A94 PolarHBondContact O-N 2.87Å; F91-A94 WeakPolarHBondContact O-CB 3.25Å; F91-A94 PolarHBondContact O-N 3.16Å; F91-A94 VanDerWaalsContact O-N 3.13Å; A94-Y96 PolarHBondContact O-N 3.18Å; A94-L97 PolarHBondContact O-N 3.44Å; A94-R98 WeakPolarHBondContact O-CB 3.27Å; A94-R98 PolarHBondContact O-N 3.04Å; A94-E118 HydrophobicContact CB-CB 4.35Å; A94-E118 WeakPolarHBondContact CB-O 3.45Å; A94-L119 HydrophobicContact CB-CD2 3.87Å; A94-L119 HydrophobicContact CB-CG 4.35Å; A94-V122 HydrophobicContact CB-CG2 3.86Å
95A95.8Very high96.4Very high14 Ų1436.4 Ų36.412%0.11619%0.186CC..Hα-helixtrans-62.3-42176.400000112.4F91 C92 R98 S99F91-A95 HydrophobicContact CZ-CB 4.48Å; F91-A95 PolarHBondContact O-N 2.9Å; C92-A95 PolarHBondContact O-N 2.86Å; A95-R98 PolarHBondContact O-N 3.02Å; A95-S99 VanDerWaalsContact O-CB 3.25Å; A95-S99 WeakPolarHBondContact O-CB 3.14Å; A95-S99 PolarHBondContact O-N 3.32Å; A95-S99 PolarHBondContact O-OG 3.06Å
96Y97.3Very high96.5Very high46 Ų4636.2 Ų36.218%0.1819%0.185CC..Iπ-helixtrans-59.8-53.6176.7179.1-104.2000111.5C92 C93 A94 R98 E100 C101 V181 Q216 V218 F224C92-Y96 VanDerWaalsContact O-CB 3.29Å; C92-Y96 WeakPolarHBondContact O-CB 3.3Å; C92-Y96 PolarHBondContact O-N 3.27Å; C93-Y96 PolarHBondContact O-N 3Å; A94-Y96 PolarHBondContact O-N 3.18Å; Y96-R98 VanDerWaalsContact C-N 3.27Å; Y96-R98 PolarHBondContact O-N 3.31Å; Y96-E100 HydrophobicContact CD2-CB 3.85Å; Y96-E100 HydrophobicContact CD2-CG 3.84Å; Y96-E100 HydrophobicContact CE2-CB 3.9Å; Y96-E100 HydrophobicContact CE2-CG 4.18Å; Y96-E100 WeakPolarHBondContact O-CA 3.19Å; Y96-E100 WeakPolarHBondContact O-CB 3.48Å; Y96-E100 PolarHBondContact O-N 3.27Å; Y96-C101 WeakPolarHBondContact CE1-SG 3.43Å; Y96-C101 VanDerWaalsContact CZ-SG 3.59Å; Y96-C101 PolarHBondContact O-N 3.45Å; Y96-V181 HydrophobicContact CD1-CG1 4.21Å; Y96-V181 HydrophobicContact CD1-CG2 4.17Å; Y96-V181 HydrophobicContact CE1-CG1 4.46Å; Y96-V181 HydrophobicContact CE1-CG2 3.87Å; Y96-Q216 HydrophobicContact CE1-CG 4.26Å; Y96-Q216 WeakPolarHBondContact OH-CG 3.34Å; Y96-V218 HydrophobicContact CD1-CG1 3.78Å; Y96-V218 HydrophobicContact CD2-CG1 4.1Å; Y96-V218 HydrophobicContact CE1-CG1 4.47Å; Y96-V218 HydrophobicContact CG-CG1 3.58Å; Y96-F224 VanDerWaalsContact CA-CZ 3.43Å; Y96-F224 HydrophobicContact CD2-CD1 4.27Å; Y96-F224 AromaticContact CD2-CD2 3.87Å; Y96-F224 HydrophobicContact CD2-CD2 3.87Å; Y96-F224 HydrophobicContact CD2-CE1 4.16Å; Y96-F224 AromaticContact CD2-CE2 3.75Å; Y96-F224 HydrophobicContact CD2-CE2 3.75Å; Y96-F224 HydrophobicContact CD2-CG 4.13Å; Y96-F224 AromaticContact CD2-CZ 3.89Å; Y96-F224 HydrophobicContact CD2-CZ 3.89Å; Y96-F224 HydrophobicContact CG-CE1 4.29Å; Y96-F224 HydrophobicContact CG-CZ 4.23Å
97L98Very high96.5Very high0 Ų036.1 Ų36.10%018%0.184CC..Iπ-helixtrans-61-39.1-179.3-69.5169.1000111.8C93 A94 C101 G102 L103 V107 L119 I124 A152 V154 L179 V181C93-L97 WeakPolarHBondContact O-CG 3.41Å; C93-L97 PolarHBondContact O-N 2.72Å; A94-L97 PolarHBondContact O-N 3.44Å; L97-C101 WeakPolarHBondContact O-CB 3.34Å; L97-G102 PolarHBondContact O-N 3.4Å; L97-L103 HydrophobicContact CB-CB 4.32Å; L97-L103 HydrophobicContact CB-CD2 4.14Å; L97-L103 HydrophobicContact CD1-CD2 4.38Å; L97-L103 HydrophobicContact CD2-CD2 4.3Å; L97-L103 VanDerWaalsContact O-CB 3.22Å; L97-L103 WeakPolarHBondContact O-CB 3.45Å; L97-L103 PolarHBondContact O-N 2.92Å; L97-V107 HydrophobicContact CD1-CG2 3.89Å; L97-L119 HydrophobicContact CD1-CD2 3.74Å; L97-I124 HydrophobicContact CB-CD1 3.77Å; L97-A152 HydrophobicContact CD2-CB 4.22Å; L97-V154 HydrophobicContact CD1-CG2 3.63Å; L97-L179 HydrophobicContact CD2-CD1 4.1Å; L97-V181 HydrophobicContact CD2-CG2 3.88Å
98R96.3Very high96.6Very high118 Ų11836.3 Ų36.345%0.44519%0.185SC..Iπ-helixtrans-75-50-178.3-17354.9166.7-165.2-7.7112.8A94 A95 Y96 G102 L103 V122 I124A94-R98 WeakPolarHBondContact O-CB 3.27Å; A94-R98 PolarHBondContact O-N 3.04Å; A95-R98 PolarHBondContact O-N 3.02Å; Y96-R98 VanDerWaalsContact C-N 3.27Å; Y96-R98 PolarHBondContact O-N 3.31Å; R98-G102 WeakPolarHBondContact O-CA 3.38Å; R98-G102 PolarHBondContact O-N 3.27Å; R98-L103 PolarHBondContact NH1-O 3.33Å; R98-V122 HydrophobicContact CB-CB 4.48Å; R98-V122 HydrophobicContact CB-CG2 4.27Å; R98-V122 HydrophobicContact CG-CB 4.43Å; R98-I124 HydrophobicContact CB-CD1 4.05Å
99S92.6Very high96.7Very high89 Ų8936.2 Ų36.262%0.62218%0.184SC*.Iπ-helixtrans-92.6-43.3-165.8-44.30000112A95A95-S99 VanDerWaalsContact O-CB 3.25Å; A95-S99 WeakPolarHBondContact O-CB 3.14Å; A95-S99 PolarHBondContact O-N 3.32Å; A95-S99 PolarHBondContact O-OG 3.06Å
100E94.1Very high96.9Very high101 Ų10136.2 Ų36.247%0.47218%0.184SC..Iπ-helixtrans-86.1-44.8-178.6-59.6-58.2140.900111.5Y96 F224Y96-E100 HydrophobicContact CD2-CB 3.85Å; Y96-E100 HydrophobicContact CD2-CG 3.84Å; Y96-E100 HydrophobicContact CE2-CB 3.9Å; Y96-E100 HydrophobicContact CE2-CG 4.18Å; Y96-E100 WeakPolarHBondContact O-CA 3.19Å; Y96-E100 WeakPolarHBondContact O-CB 3.48Å; Y96-E100 PolarHBondContact O-N 3.27Å; E100-F224 HydrophobicContact CG-CD2 4.24Å; E100-F224 HydrophobicContact CG-CE2 3.45Å; E100-F224 VanDerWaalsContact CG-CE2 3.45Å; E100-F224 HydrophobicContact CG-CZ 4.19Å
101C96.1Very high96.9Very high40 Ų4036.1 Ų36.127%0.2718%0.183SC..SBendtrans-87.4-16.1-178-560000113.9Y96 L97 L103 L179Y96-C101 WeakPolarHBondContact CE1-SG 3.43Å; Y96-C101 VanDerWaalsContact CZ-SG 3.59Å; Y96-C101 PolarHBondContact O-N 3.45Å; L97-C101 WeakPolarHBondContact O-CB 3.34Å; C101-L103 PolarHBondContact O-N 3.37Å; C101-L179 HydrophobicContact CB-CD1 3.6Å
102G96.2Very high96.9Very high43 Ų4336.3 Ų36.344%0.44319%0.187SC..  trans61.230.8-176.700000113.8L97 R98 R104L97-G102 PolarHBondContact O-N 3.4Å; R98-G102 WeakPolarHBondContact O-CA 3.38Å; R98-G102 PolarHBondContact O-N 3.27Å; G102-R104 PolarHBondContact O-N 2.86Å
103L97.6Very high96.9Very high7 Ų739.6 Ų39.64%0.03721%0.205CC..  trans-58.3131.4-175-17369.9000111.4L97 R98 C101 V107 I124 Q151 A152 L179L97-L103 HydrophobicContact CB-CB 4.32Å; L97-L103 HydrophobicContact CB-CD2 4.14Å; L97-L103 HydrophobicContact CD1-CD2 4.38Å; L97-L103 HydrophobicContact CD2-CD2 4.3Å; L97-L103 VanDerWaalsContact O-CB 3.22Å; L97-L103 WeakPolarHBondContact O-CB 3.45Å; L97-L103 PolarHBondContact O-N 2.92Å; R98-L103 PolarHBondContact NH1-O 3.33Å; C101-L103 PolarHBondContact O-N 3.37Å; L103-V107 HydrophobicContact CD2-CG2 3.63Å; L103-I124 HydrophobicContact CD2-CD1 4.33Å; L103-I124 HydrophobicContact CD2-CG2 4Å; L103-Q151 HydrophobicContact CD1-CB 3.6Å; L103-A152 HydrophobicContact CD1-CB 4.18Å; L103-A152 HydrophobicContact CD2-CB 4.04Å; L103-L179 HydrophobicContact CD1-CD1 4.1Å
104R94.9Very high96.9Very high229 Ų22939.8 Ų39.886%0.86421%0.207SC*.  trans-116.5-24.3177.4-60.7-170-179.4-159.7-0.1114G102G102-R104 PolarHBondContact O-N 2.86Å
105G96.6Very high96.9Very high14 Ų1439.9 Ų39.914%0.14421%0.207CC..SBendtrans-85-165.3175.900000113.6E149G105-E149 CarbonylContact C-O 3.59Å; G105-E149 WeakPolarHBondContact CA-O 3.45Å
106K98.6Very high97Very high30 Ų3042.3 Ų42.313%0.1321%0.213CC..EExtended strand (participates in β ladder)trans-87.3162179.4-56-174.6-173.1157.40112Q125 D147 E149 V150 Q151 A152K106-Q125 CarbonylContact C-O 3.56Å; K106-Q125 VanDerWaalsContact CA-O 3.31Å; K106-Q125 WeakPolarHBondContact CA-O 3.44Å; K106-Q125 HydrophobicContact CD-CB 4.45Å; K106-Q125 HydrophobicContact CG-CB 4.01Å; K106-D147 WeakPolarHBondContact CD-OD2 3.48Å; K106-D147 IonicContact NZ-OD1 3.34Å; K106-D147 IonicContact NZ-OD2 2.71Å; K106-D147 PolarHBondContact NZ-OD2 3.23Å; K106-E149 HydrophobicContact CD-CB 3.97Å; K106-E149 WeakPolarHBondContact CE-OE2 3.38Å; K106-E149 HydrophobicContact CG-CB 3.93Å; K106-E149 PolarHBondContact N-O 3.2Å; K106-E149 IonicContact NZ-OE2 2.99Å; K106-E149 PolarHBondContact NZ-OE2 2.95Å; K106-V150 HydrophobicContact CB-CG2 4Å; K106-V150 WeakPolarHBondContact O-CA 3.31Å; K106-Q151 PolarHBondContact O-N 3.48Å; K106-A152 PolarHBondContact O-N 2.94Å
107V98.8Very high97.1Very high0 Ų043.9 Ų43.90%022%0.222CC..EExtended strand (participates in β ladder)trans-105.8131.5170.4171.60000109.5L97 L103 L109 L119 I124 Q125 A126 V127 A152 V154L97-V107 HydrophobicContact CD1-CG2 3.89Å; L103-V107 HydrophobicContact CD2-CG2 3.63Å; V107-L109 HydrophobicContact CG1-CB 4.11Å; V107-L119 HydrophobicContact CB-CD1 4.36Å; V107-L119 HydrophobicContact CG1-CD1 4.17Å; V107-L119 HydrophobicContact CG2-CD2 4.42Å; V107-I124 HydrophobicContact CB-CG2 4.35Å; V107-I124 HydrophobicContact CG2-CG2 3.49Å; V107-I124 VanDerWaalsContact CG2-CG2 3.49Å; V107-Q125 PolarHBondContact N-O 2.89Å; V107-A126 HydrophobicContact CB-CB 4.26Å; V107-A126 CarbonylContact O-C 3.56Å; V107-A126 VanDerWaalsContact O-CA 3.27Å; V107-A126 WeakPolarHBondContact O-CA 3.43Å; V107-V127 PolarHBondContact O-N 3.21Å; V107-A152 CarbonylContact C-O 3.5Å; V107-A152 WeakPolarHBondContact CA-O 3.47Å; V107-A152 HydrophobicContact CG2-CB 4.14Å; V107-V154 HydrophobicContact CG1-CB 3.73Å; V107-V154 HydrophobicContact CG1-CG2 3.46Å; V107-V154 VanDerWaalsContact CG1-CG2 3.46Å; V107-V154 HydrophobicContact CG2-CG2 4.36Å
108Y98.8Very high97.1Very high6 Ų644.2 Ų44.22%0.02422%0.224CC..EExtended strand (participates in β ladder)trans-84.5109157.2-178.5-101.6000108.7V110 V127 A152 V153 V154 K165 R168 A169 Y172Y108-V110 HydrophobicContact CD1-CG2 4.26Å; Y108-V110 HydrophobicContact CE1-CG2 3.7Å; Y108-V127 HydrophobicContact CD2-CG2 4.11Å; Y108-A152 PolarHBondContact N-O 2.99Å; Y108-V153 HydrophobicContact CD1-CG1 4.36Å; Y108-V153 HydrophobicContact CD1-CG2 4.37Å; Y108-V153 WeakPolarHBondContact O-CA 3.38Å; Y108-V154 PolarHBondContact O-N 3.19Å; Y108-K165 VanDerWaalsContact OH-CA 3.27Å; Y108-K165 WeakPolarHBondContact OH-CA 3.34Å; Y108-K165 PolarHBondContact OH-O 3.16Å; Y108-R168 HydrophobicContact CE1-CB 3.96Å; Y108-R168 HydrophobicContact CE2-CB 4.03Å; Y108-R168 WeakPolarHBondContact OH-CB 3.39Å; Y108-A169 HydrophobicContact CD1-CB 4.25Å; Y108-A169 HydrophobicContact CE1-CB 3.95Å; Y108-Y172 AromaticContact CD1-CD2 3.88Å; Y108-Y172 HydrophobicContact CD1-CD2 3.88Å; Y108-Y172 HydrophobicContact CD1-CE2 4.11Å; Y108-Y172 HydrophobicContact CD2-CD2 4.07Å; Y108-Y172 AromaticContact CD2-CE2 3.43Å; Y108-Y172 HydrophobicContact CD2-CE2 3.43Å; Y108-Y172 VanDerWaalsContact CD2-CE2 3.43Å; Y108-Y172 HydrophobicContact CE2-CE2 4.12Å; Y108-Y172 AromaticContact CG-CD2 3.58Å; Y108-Y172 HydrophobicContact CG-CD2 3.58Å; Y108-Y172 AromaticContact CG-CE2 3.43Å; Y108-Y172 HydrophobicContact CG-CE2 3.43Å; Y108-Y172 VanDerWaalsContact CG-CE2 3.43Å
109L98.8Very high97.2Very high0 Ų038.7 Ų38.70%020%0.203CC..EExtended strand (participates in β ladder)trans-100.8114.5-172.9176.459.5000110.1V107 M115 R116 L119 A126 V127 G128 V129 V154V107-L109 HydrophobicContact CG1-CB 4.11Å; L109-M115 HydrophobicContact CD1-CB 4.2Å; L109-M115 HydrophobicContact CD1-CE 3.74Å; L109-M115 HydrophobicContact CD1-SD 4.16Å; L109-M115 HydrophobicContact CD2-CB 3.81Å; L109-R116 HydrophobicContact CD2-CB 4Å; L109-L119 HydrophobicContact CD2-CD1 4.13Å; L109-A126 HydrophobicContact CB-CB 4.13Å; L109-A126 HydrophobicContact CD2-CB 4.28Å; L109-V127 PolarHBondContact N-O 3.05Å; L109-G128 CarbonylContact O-C 3.32Å; L109-V129 HydrophobicContact CB-CG2 4.44Å; L109-V129 HydrophobicContact CD2-CG2 3.6Å; L109-V129 HydrophobicContact CG-CG2 4.17Å; L109-V154 HydrophobicContact CD1-CB 4.02Å; L109-V154 HydrophobicContact CD1-CG1 3.82Å
110V98.7Very high97.4Very high0 Ų038.5 Ų38.50%019%0.192CC..EExtended strand (participates in β ladder)trans-91.388.9159.9-178.20000106.3Y108 V154 V155 G156 D158 F161 K165 A169Y108-V110 HydrophobicContact CD1-CG2 4.26Å; Y108-V110 HydrophobicContact CE1-CG2 3.7Å; V110-V154 PolarHBondContact N-O 3.19Å; V110-V155 HydrophobicContact CB-CG1 4.46Å; V110-V155 HydrophobicContact CB-CG2 4.31Å; V110-V155 HydrophobicContact CG1-CG1 4.37Å; V110-V155 WeakPolarHBondContact O-CA 3.12Å; V110-G156 PolarHBondContact O-N 3.42Å; V110-D158 HydrophobicContact CG1-CB 4.06Å; V110-F161 HydrophobicContact CG1-CD2 3.52Å; V110-F161 HydrophobicContact CG1-CE2 3.86Å; V110-K165 HydrophobicContact CG2-CB 4.48Å; V110-A169 HydrophobicContact CG2-CB 4.3Å
111G97.5Very high97.6Very high1 Ų137.3 Ų37.31%0.0120%0.2CC..SBendtrans-178.3-178.7-170.700000114.3F157 D158G111-F157 CarbonylContact C-O 3.59Å; G111-F157 WeakPolarHBondContact CA-O 3.26Å; G111-D158 PolarHBondContact N-OD2 3.27Å
112S96.4Very high97.5Very high23 Ų2337.4 Ų37.416%0.16120%0.199CC..  trans-75.2163.5-177.873.80000113.3S63 A114 M115 R116 F157S63-S112 PolarHBondContact O-OG 2.85Å; S112-A114 PolarHBondContact O-N 3.31Å; S112-A114 PolarHBondContact OG-N 2.93Å; S112-M115 WeakPolarHBondContact O-CB 3.49Å; S112-M115 PolarHBondContact O-N 3.42Å; S112-M115 PolarHBondContact OG-N 2.84Å; S112-R116 PolarHBondContact O-N 3.31Å; S112-F157 PolarHBondContact N-O 3.27Å
113D96.9Very high97.6Very high69 Ų6938 Ų3837%0.36921%0.206SC..Hα-helixtrans-62.7-33171.8-167.967000112.6M115 R116 Q117 V129D113-M115 VanDerWaalsContact C-N 3.28Å; D113-M115 PolarHBondContact O-N 3.14Å; D113-R116 WeakPolarHBondContact O-CB 3.35Å; D113-R116 PolarHBondContact O-N 2.96Å; D113-R116 VanDerWaalsContact O-N 3.12Å; D113-R116 IonicContact OD1-CZ 3.32Å; D113-R116 IonicContact OD1-NE 3.48Å; D113-R116 PolarHBondContact OD1-NE 3.05Å; D113-R116 IonicContact OD1-NH2 2.93Å; D113-R116 PolarHBondContact OD1-NH2 3.37Å; D113-R116 IonicContact OD2-NH2 3.73Å; D113-R116 PolarHBondContact OD2-NH2 2.88Å; D113-Q117 WeakPolarHBondContact O-CG 3.47Å; D113-Q117 PolarHBondContact O-N 3.49Å; D113-Q117 PolarHBondContact OD2-NE2 3.31Å; D113-V129 HydrophobicContact CB-CG1 4.12Å
114A96.9Very high97.6Very high6 Ų637.8 Ų37.85%0.0520%0.204CC..Hα-helixtrans-61.3-37.1175.300000112.4T64 T66 M69 S112 Q117 E118T64-A114 WeakPolarHBondContact O-CB 3.2Å; T66-A114 HydrophobicContact CG2-CB 3.98Å; M69-A114 HydrophobicContact SD-CB 4.48Å; S112-A114 PolarHBondContact O-N 3.31Å; S112-A114 PolarHBondContact OG-N 2.93Å; A114-Q117 PolarHBondContact O-N 3.5Å; A114-E118 PolarHBondContact O-N 3.13Å; A114-E118 VanDerWaalsContact O-N 3.08Å
115M98.1Very high97.8Very high2 Ų232.6 Ų32.61%0.0119%0.19CC..Hα-helixtrans-66-40.2173.8-70.8-177.269.500112.3S63 A90 L109 S112 D113 Q117 E118 L119 V154 T183S63-M115 VanDerWaalsContact CB-SD 3.6Å; S63-M115 VanDerWaalsContact O-CG 3.26Å; S63-M115 WeakPolarHBondContact O-CG 3.2Å; S63-M115 PolarHBondContact OG-SD 3.46Å; S63-M115 VanDerWaalsContact OG-SD 3.41Å; A90-M115 HydrophobicContact CB-CG 3.76Å; L109-M115 HydrophobicContact CD1-CB 4.2Å; L109-M115 HydrophobicContact CD1-CE 3.74Å; L109-M115 HydrophobicContact CD1-SD 4.16Å; L109-M115 HydrophobicContact CD2-CB 3.81Å; S112-M115 WeakPolarHBondContact O-CB 3.49Å; S112-M115 PolarHBondContact O-N 3.42Å; S112-M115 PolarHBondContact OG-N 2.84Å; D113-M115 VanDerWaalsContact C-N 3.28Å; D113-M115 PolarHBondContact O-N 3.14Å; M115-Q117 VanDerWaalsContact C-N 3.3Å; M115-Q117 PolarHBondContact O-N 2.98Å; M115-E118 PolarHBondContact O-N 2.77Å; M115-L119 WeakPolarHBondContact O-CG 3.42Å; M115-L119 PolarHBondContact O-N 3.37Å; M115-V154 HydrophobicContact CE-CG1 3.64Å; M115-T183 HydrophobicContact CE-CG2 3.26Å; M115-T183 HydrophobicContact SD-CG2 4.06Å
116R98.4Very high97.9Very high65 Ų6532.6 Ų32.625%0.24519%0.189CC..Hα-helixtrans-58.9-44.7173.6173.8-17473.277.77110.9L109 S112 D113 E118 L119 E120 A126 V129L109-R116 HydrophobicContact CD2-CB 4Å; S112-R116 PolarHBondContact O-N 3.31Å; D113-R116 WeakPolarHBondContact O-CB 3.35Å; D113-R116 PolarHBondContact O-N 2.96Å; D113-R116 VanDerWaalsContact O-N 3.12Å; D113-R116 IonicContact OD1-CZ 3.32Å; D113-R116 IonicContact OD1-NE 3.48Å; D113-R116 PolarHBondContact OD1-NE 3.05Å; D113-R116 IonicContact OD1-NH2 2.93Å; D113-R116 PolarHBondContact OD1-NH2 3.37Å; D113-R116 IonicContact OD2-NH2 3.73Å; D113-R116 PolarHBondContact OD2-NH2 2.88Å; R116-E118 PolarHBondContact O-N 3.44Å; R116-L119 PolarHBondContact O-N 3.17Å; R116-E120 WeakPolarHBondContact CD-OE1 3.42Å; R116-E120 HydrophobicContact CG-CG 4.31Å; R116-E120 VanDerWaalsContact CG-OE1 3.23Å; R116-E120 WeakPolarHBondContact CG-OE1 3.41Å; R116-E120 IonicContact CZ-OE1 2.68Å; R116-E120 IonicContact CZ-OE2 2.74Å; R116-E120 IonicContact NH1-OE1 3.85Å; R116-E120 PolarHBondContact NH1-OE1 3.28Å; R116-E120 IonicContact NH1-OE2 3.23Å; R116-E120 PolarHBondContact NH1-OE2 3.06Å; R116-E120 WeakPolarHBondContact O-CB 3.05Å; R116-E120 WeakPolarHBondContact O-CG 3.48Å; R116-E120 PolarHBondContact O-N 3.4Å; R116-A126 HydrophobicContact CB-CB 4.48Å; R116-A126 HydrophobicContact CG-CB 4.25Å; R116-V129 HydrophobicContact CB-CG2 3.84Å; R116-V129 HydrophobicContact CG-CG2 4.46Å
117Q98.4Very high97.8Very high79 Ų7933.5 Ų33.537%0.36920%0.196SC..Hα-helixtrans-61-42177.7-66.8175.237.100112.5T66 D113 A114 M115 E120 A121T66-Q117 HydrophobicContact CG2-CB 3.89Å; D113-Q117 WeakPolarHBondContact O-CG 3.47Å; D113-Q117 PolarHBondContact O-N 3.49Å; D113-Q117 PolarHBondContact OD2-NE2 3.31Å; A114-Q117 PolarHBondContact O-N 3.5Å; M115-Q117 VanDerWaalsContact C-N 3.3Å; M115-Q117 PolarHBondContact O-N 2.98Å; Q117-E120 PolarHBondContact O-N 3.02Å; Q117-A121 WeakPolarHBondContact O-CB 3.38Å; Q117-A121 PolarHBondContact O-N 3.02Å
118E97.9Very high97.7Very high7 Ų734.8 Ų34.83%0.03321%0.21CC..Hα-helixtrans-65.4-37.7175.6-71.8-7117000112.7T66 R67 A90 F91 A94 A114 M115 R116T66-E118 WeakPolarHBondContact CA-OE1 3.48Å; T66-E118 VanDerWaalsContact CB-OE1 3.32Å; T66-E118 WeakPolarHBondContact CB-OE1 3.45Å; T66-E118 HydrophobicContact CG2-CG 4.28Å; R67-E118 PolarHBondContact N-OE1 2.83Å; R67-E118 IonicContact NE-OE1 2.81Å; R67-E118 IonicContact NE-OE2 3.31Å; A90-E118 HydrophobicContact CB-CB 4.41Å; A90-E118 HydrophobicContact CB-CG 3.95Å; F91-E118 HydrophobicContact CB-CG 4.48Å; F91-E118 WeakPolarHBondContact CD2-OE2 3.47Å; A94-E118 HydrophobicContact CB-CB 4.35Å; A94-E118 WeakPolarHBondContact CB-O 3.45Å; A114-E118 PolarHBondContact O-N 3.13Å; A114-E118 VanDerWaalsContact O-N 3.08Å; M115-E118 PolarHBondContact O-N 2.77Å; R116-E118 PolarHBondContact O-N 3.44Å
119L98.4Very high97.6Very high2 Ų236.7 Ų36.71%0.0122%0.222CC..Hα-helixtrans-65.1-46.4174-70.8166.1000111.3A94 L97 V107 L109 M115 R116 A121 V122 G123 I124 A126A94-L119 HydrophobicContact CB-CD2 3.87Å; A94-L119 HydrophobicContact CB-CG 4.35Å; L97-L119 HydrophobicContact CD1-CD2 3.74Å; V107-L119 HydrophobicContact CB-CD1 4.36Å; V107-L119 HydrophobicContact CG1-CD1 4.17Å; V107-L119 HydrophobicContact CG2-CD2 4.42Å; L109-L119 HydrophobicContact CD2-CD1 4.13Å; M115-L119 WeakPolarHBondContact O-CG 3.42Å; M115-L119 PolarHBondContact O-N 3.37Å; R116-L119 PolarHBondContact O-N 3.17Å; L119-A121 VanDerWaalsContact C-N 3.29Å; L119-A121 PolarHBondContact O-N 3.35Å; L119-V122 WeakPolarHBondContact O-CG2 3.43Å; L119-V122 PolarHBondContact O-N 2.84Å; L119-V122 VanDerWaalsContact O-N 3.14Å; L119-G123 PolarHBondContact O-N 3.04Å; L119-I124 CarbonylContact C-O 3.25Å; L119-I124 HydrophobicContact CB-CB 4.16Å; L119-I124 HydrophobicContact CB-CG2 4.29Å; L119-I124 HydrophobicContact CD2-CB 4.3Å; L119-I124 HydrophobicContact CD2-CD1 4.26Å; L119-I124 HydrophobicContact CD2-CG2 4.05Å; L119-I124 WeakPolarHBondContact O-CB 3.22Å; L119-I124 PolarHBondContact O-N 2.84Å; L119-A126 HydrophobicContact CD1-CB 3.85Å
120E97.9Very high97.5Very high85 Ų8537.6 Ų37.640%0.39723%0.231SC..Hα-helixtrans-64.1-34.9179.4-74.7172.8-177.800111.9R116 Q117 V122 G123 I124R116-E120 WeakPolarHBondContact CD-OE1 3.42Å; R116-E120 HydrophobicContact CG-CG 4.31Å; R116-E120 VanDerWaalsContact CG-OE1 3.23Å; R116-E120 WeakPolarHBondContact CG-OE1 3.41Å; R116-E120 IonicContact CZ-OE1 2.68Å; R116-E120 IonicContact CZ-OE2 2.74Å; R116-E120 IonicContact NH1-OE1 3.85Å; R116-E120 PolarHBondContact NH1-OE1 3.28Å; R116-E120 IonicContact NH1-OE2 3.23Å; R116-E120 PolarHBondContact NH1-OE2 3.06Å; R116-E120 WeakPolarHBondContact O-CB 3.05Å; R116-E120 WeakPolarHBondContact O-CG 3.48Å; R116-E120 PolarHBondContact O-N 3.4Å; Q117-E120 PolarHBondContact O-N 3.02Å; E120-V122 PolarHBondContact O-N 3.33Å; E120-V122 VanDerWaalsContact O-N 3.16Å; E120-G123 PolarHBondContact O-N 3.28Å; E120-I124 WeakPolarHBondContact CA-O 3.48Å; E120-I124 PolarHBondContact N-O 2.81Å
121A96.8Very high97.4Very high76 Ų7642.1 Ų42.163%0.62826%0.261SS*.Hα-helixtrans-60.7-23.1176.300000113.6Q117 L119Q117-A121 WeakPolarHBondContact O-CB 3.38Å; Q117-A121 PolarHBondContact O-N 3.02Å; L119-A121 VanDerWaalsContact C-N 3.29Å; L119-A121 PolarHBondContact O-N 3.35Å
122V95.9Very high97.3Very high41 Ų4143.8 Ų43.825%0.24827%0.269CS..THydrogen-bonded Turntrans-105.412.6173.8-58.40000113.1A94 R98 L119 E120 I124A94-V122 HydrophobicContact CB-CG2 3.86Å; R98-V122 HydrophobicContact CB-CB 4.48Å; R98-V122 HydrophobicContact CB-CG2 4.27Å; R98-V122 HydrophobicContact CG-CB 4.43Å; L119-V122 WeakPolarHBondContact O-CG2 3.43Å; L119-V122 PolarHBondContact O-N 2.84Å; L119-V122 VanDerWaalsContact O-N 3.14Å; E120-V122 PolarHBondContact O-N 3.33Å; E120-V122 VanDerWaalsContact O-N 3.16Å; V122-I124 HydrophobicContact CG2-CB 4.47Å; V122-I124 HydrophobicContact CG2-CD1 3.81Å; V122-I124 HydrophobicContact CG2-CG1 4.03Å
123G97.1Very high97.2Very high57 Ų5747 Ų4759%0.58829%0.29SS*.THydrogen-bonded Turntrans78.122177.500000114.5L119 E120L119-G123 PolarHBondContact O-N 3.04Å; E120-G123 PolarHBondContact O-N 3.28Å
124I98.4Very high97.1Very high2 Ų247.9 Ų47.91%0.0130%0.297CS..  trans-100.5118.3174.3-62.6170.2000108.7L97 R98 L103 V107 L119 E120 V122L97-I124 HydrophobicContact CB-CD1 3.77Å; R98-I124 HydrophobicContact CB-CD1 4.05Å; L103-I124 HydrophobicContact CD2-CD1 4.33Å; L103-I124 HydrophobicContact CD2-CG2 4Å; V107-I124 HydrophobicContact CB-CG2 4.35Å; V107-I124 HydrophobicContact CG2-CG2 3.49Å; V107-I124 VanDerWaalsContact CG2-CG2 3.49Å; L119-I124 CarbonylContact C-O 3.25Å; L119-I124 HydrophobicContact CB-CB 4.16Å; L119-I124 HydrophobicContact CB-CG2 4.29Å; L119-I124 HydrophobicContact CD2-CB 4.3Å; L119-I124 HydrophobicContact CD2-CD1 4.26Å; L119-I124 HydrophobicContact CD2-CG2 4.05Å; L119-I124 WeakPolarHBondContact O-CB 3.22Å; L119-I124 PolarHBondContact O-N 2.84Å; E120-I124 WeakPolarHBondContact CA-O 3.48Å; E120-I124 PolarHBondContact N-O 2.81Å; V122-I124 HydrophobicContact CG2-CB 4.47Å; V122-I124 HydrophobicContact CG2-CD1 3.81Å; V122-I124 HydrophobicContact CG2-CG1 4.03Å
125Q98.3Very high96.8Very high119 Ų11951.4 Ų51.456%0.55632%0.321SS*.  trans-77.6140.2174.1-70.2179.1-11.100110.4K106 V107K106-Q125 CarbonylContact C-O 3.56Å; K106-Q125 VanDerWaalsContact CA-O 3.31Å; K106-Q125 WeakPolarHBondContact CA-O 3.44Å; K106-Q125 HydrophobicContact CD-CB 4.45Å; K106-Q125 HydrophobicContact CG-CB 4.01Å; V107-Q125 PolarHBondContact N-O 2.89Å
126A98Very high96.5Very high15 Ų1553.7 Ų53.712%0.12435%0.346CS..EExtended strand (participates in β ladder)trans-126.8143.7176.900000112.2V107 L109 R116 L119V107-A126 HydrophobicContact CB-CB 4.26Å; V107-A126 CarbonylContact O-C 3.56Å; V107-A126 VanDerWaalsContact O-CA 3.27Å; V107-A126 WeakPolarHBondContact O-CA 3.43Å; L109-A126 HydrophobicContact CB-CB 4.13Å; L109-A126 HydrophobicContact CD2-CB 4.28Å; R116-A126 HydrophobicContact CB-CB 4.48Å; R116-A126 HydrophobicContact CG-CB 4.25Å; L119-A126 HydrophobicContact CD1-CB 3.85Å
127V97.8Very high96.3Very high48 Ų4858.2 Ų58.229%0.29137%0.367SS..EExtended strand (participates in β ladder)trans-124.2158.8174.9-650000109.7V107 Y108 L109 V150V107-V127 PolarHBondContact O-N 3.21Å; Y108-V127 HydrophobicContact CD2-CG2 4.11Å; L109-V127 PolarHBondContact N-O 3.05Å; V127-V150 HydrophobicContact CG2-CG2 3.9Å
128G96Very high96.1Very high27 Ų2761.8 Ų61.828%0.27838%0.384SS..  trans97.30.917600000116.2L109 K165L109-G128 CarbonylContact O-C 3.32Å; G128-K165 VanDerWaalsContact O-CE 3.25Å; G128-K165 WeakPolarHBondContact O-CE 3.5Å; G128-K165 PolarHBondContact O-NZ 3.42Å
129V96.9Very high95.9Very high46 Ų4668.3 Ų68.328%0.27942%0.418SS..  trans-69.3146.3171.4-179.60000110.9L109 D113 R116L109-V129 HydrophobicContact CB-CG2 4.44Å; L109-V129 HydrophobicContact CD2-CG2 3.6Å; L109-V129 HydrophobicContact CG-CG2 4.17Å; D113-V129 HydrophobicContact CB-CG1 4.12Å; R116-V129 HydrophobicContact CB-CG2 3.84Å; R116-V129 HydrophobicContact CG-CG2 4.46Å
130G96.4Very high95.7Very high19 Ų1972.6 Ų72.620%0.19644%0.441CS..SBendtrans91.2-176.3178.500000113.6K165G130-K165 WeakPolarHBondContact O-CE 3.39Å; G130-K165 PolarHBondContact O-NZ 3.12Å
131P97.1Very high95.5Very high96 Ų9670.7 Ų70.762%0.62343%0.43SS*.  trans-63.4137178.9-22.233.5000113.6
132D95.6Very high95.4Very high35 Ų3570.1 Ų70.119%0.18743%0.425CS..  trans-127.283166.5-168.73.3000108.7S162 M164 K165 R168D132-S162 WeakPolarHBondContact O-CB 3.48Å; D132-S162 PolarHBondContact O-OG 3.2Å; D132-M164 HydrophobicContact CB-CB 4.27Å; D132-M164 WeakPolarHBondContact OD2-CB 3.5Å; D132-K165 HydrophobicContact CB-CG 3.79Å; D132-R168 WeakPolarHBondContact OD2-CD 3.2Å; D132-R168 IonicContact OD2-NE 3.61Å; D132-R168 PolarHBondContact OD2-NE 2.73Å
133P94.4Very high95.3Very high91 Ų9172.8 Ų72.859%0.59145%0.446SS*.  trans-69.2148.4-174.728.8-34.1000111.5S135P133-S135 PolarHBondContact O-N 2.8Å
134V95.1Very high95.1Very high88 Ų8870.8 Ų70.853%0.53342%0.422SS..  trans-60.2126.7176.7-178.90000110W141 M164V134-W141 HydrophobicContact CG1-CZ2 3.82Å; V134-M164 HydrophobicContact CG2-CG 4.35Å
135S90.3Very high94.8Very high79 Ų7975.6 Ų75.655%0.55245%0.453SS*.  trans-145.8152.7177.156.50000109.8P133 W141P133-S135 PolarHBondContact O-N 2.8Å; S135-W141 PolarHBondContact O-NE1 2.84Å
136G92.1Very high94.7Very high50 Ų5072.8 Ų72.852%0.51544%0.442SS..SBendtrans74.1-165.1-175.900000114.1D140G136-D140 WeakPolarHBondContact CA-OD2 3.27Å
137K94.3Very high94.7Very high161 Ų16174 Ų7470%0.745%0.446SS*.  trans-124.7176.2-179.1-60.3179.1-177.5177.20110.1L139 D140 W141K137-L139 VanDerWaalsContact C-N 3.27Å; K137-L139 PolarHBondContact O-N 2.7Å; K137-L139 VanDerWaalsContact O-N 3.11Å; K137-D140 PolarHBondContact N-OD2 3.49Å; K137-D140 WeakPolarHBondContact O-CA 3.29Å; K137-D140 VanDerWaalsContact O-CB 3.32Å; K137-D140 WeakPolarHBondContact O-CB 3.24Å; K137-D140 PolarHBondContact O-N 2.63Å; K137-W141 VanDerWaalsContact O-CD1 3.28Å; K137-W141 VanDerWaalsContact O-CG 3.29Å; K137-W141 PolarHBondContact O-N 2.82Å
138Q92.8Very high94.7Very high153 Ų15377.5 Ų77.572%0.71547%0.47SS*.Hα-helixtrans-49.1-42.1-177.4-71.3177.5-1900114.8D140 W141 A142Q138-D140 VanDerWaalsContact C-N 3.33Å; Q138-D140 PolarHBondContact O-N 3.08Å; Q138-W141 HydrophobicContact CB-CE3 4.38Å; Q138-W141 HydrophobicContact CG-CE3 3.96Å; Q138-W141 HydrophobicContact CG-CZ3 3.82Å; Q138-W141 PolarHBondContact O-N 3.17Å; Q138-A142 PolarHBondContact O-N 3.02Å
139L94.1Very high94.7Very high144 Ų14481.5 Ų81.575%0.75448%0.482SS*.Hα-helixtrans-65.8-35.1177.5-71170.3000112.6K137 S143K137-L139 VanDerWaalsContact C-N 3.27Å; K137-L139 PolarHBondContact O-N 2.7Å; K137-L139 VanDerWaalsContact O-N 3.11Å; L139-S143 PolarHBondContact O-N 3.17Å; L139-S143 PolarHBondContact O-OG 3.39Å; L139-S143 VanDerWaalsContact O-OG 3.08Å
140D94.3Very high94.8Very high92 Ų9279.5 Ų79.549%0.49247%0.469SS..Hα-helixtrans-69.5-39.7175.5-52.4-51.9000110.5G136 K137 Q138 A142 S143 V144G136-D140 WeakPolarHBondContact CA-OD2 3.27Å; K137-D140 PolarHBondContact N-OD2 3.49Å; K137-D140 WeakPolarHBondContact O-CA 3.29Å; K137-D140 VanDerWaalsContact O-CB 3.32Å; K137-D140 WeakPolarHBondContact O-CB 3.24Å; K137-D140 PolarHBondContact O-N 2.63Å; Q138-D140 VanDerWaalsContact C-N 3.33Å; Q138-D140 PolarHBondContact O-N 3.08Å; D140-A142 VanDerWaalsContact C-N 3.35Å; D140-A142 PolarHBondContact O-N 3.2Å; D140-S143 CarbonylContact O-C 3.37Å; D140-S143 PolarHBondContact O-N 3.41Å; D140-V144 PolarHBondContact O-N 3.47Å; D140-V144 VanDerWaalsContact O-N 3.08Å
141W94.6Very high94.9Very high46 Ų4683 Ų8317%0.17448%0.48CS..Hα-helixtrans-65.6-39177.9-52-20000111.9V134 S135 K137 Q138 S143 V144 Y163 M164 N167V134-W141 HydrophobicContact CG1-CZ2 3.82Å; S135-W141 PolarHBondContact O-NE1 2.84Å; K137-W141 VanDerWaalsContact O-CD1 3.28Å; K137-W141 VanDerWaalsContact O-CG 3.29Å; K137-W141 PolarHBondContact O-N 2.82Å; Q138-W141 HydrophobicContact CB-CE3 4.38Å; Q138-W141 HydrophobicContact CG-CE3 3.96Å; Q138-W141 HydrophobicContact CG-CZ3 3.82Å; Q138-W141 PolarHBondContact O-N 3.17Å; W141-S143 PolarHBondContact O-N 2.86Å; W141-V144 WeakPolarHBondContact O-CB 3.37Å; W141-V144 PolarHBondContact O-N 2.87Å; W141-Y163 AromaticContact CD2-CE1 3.85Å; W141-Y163 HydrophobicContact CD2-CE1 3.85Å; W141-Y163 HydrophobicContact CE3-CD1 4.41Å; W141-Y163 AromaticContact CE3-CE1 3.4Å; W141-Y163 HydrophobicContact CE3-CE1 3.4Å; W141-Y163 AromaticContact CE3-CZ 3.89Å; W141-Y163 HydrophobicContact CG-CE1 4.48Å; W141-Y163 HydrophobicContact CH2-CE1 4.32Å; W141-Y163 HydrophobicContact CZ3-CD1 4.49Å; W141-Y163 AromaticContact CZ3-CE1 3.66Å; W141-Y163 HydrophobicContact CZ3-CE1 3.66Å; W141-Y163 AromaticContact CZ3-CZ 3.99Å; W141-M164 HydrophobicContact CG-CE 4.46Å; W141-M164 HydrophobicContact CG-SD 4.22Å; W141-N167 PolarHBondContact O-ND2 3.38Å
142A93.8Very high95Very high63 Ų6378.4 Ų78.452%0.52145%0.451SS..Hα-helixtrans-66.4-24.8175.300000112.8Q138 D140 Q171Q138-A142 PolarHBondContact O-N 3.02Å; D140-A142 VanDerWaalsContact C-N 3.35Å; D140-A142 PolarHBondContact O-N 3.2Å; A142-Q171 PolarHBondContact O-NE2 2.92Å
143S93.1Very high95.2Very high97 Ų9776.7 Ų76.768%0.67844%0.442SS*.THydrogen-bonded Turntrans-111.422.5-177.9-48.20000112.6L139 D140 W141L139-S143 PolarHBondContact O-N 3.17Å; L139-S143 PolarHBondContact O-OG 3.39Å; L139-S143 VanDerWaalsContact O-OG 3.08Å; D140-S143 CarbonylContact O-C 3.37Å; D140-S143 PolarHBondContact O-N 3.41Å; W141-S143 PolarHBondContact O-N 2.86Å
144V93.8Very high95.4Very high15 Ų1572.4 Ų72.49%0.09141%0.414CS..  trans-60.6132-175.573.90000110.5D140 W141 L146 M164 R168 Q171D140-V144 PolarHBondContact O-N 3.47Å; D140-V144 VanDerWaalsContact O-N 3.08Å; W141-V144 WeakPolarHBondContact O-CB 3.37Å; W141-V144 PolarHBondContact O-N 2.87Å; V144-L146 HydrophobicContact CG1-CD2 4.04Å; V144-L146 PolarHBondContact O-N 3.07Å; V144-M164 HydrophobicContact CG2-CE 4.41Å; V144-R168 HydrophobicContact CG1-CG 4.22Å; V144-R168 HydrophobicContact CG2-CG 4.27Å; V144-R168 VanDerWaalsContact CG2-NH2 3.29Å; V144-Q171 HydrophobicContact CG1-CG 4.12Å
145P93.2Very high95.5Very high103 Ų10368.2 Ų68.267%0.66939%0.388SS*.  trans-65.4132.8-179.625.3-34.1000110.4R168P145-R168 PolarHBondContact O-NH1 3.02Å
146L96.1Very high95.9Very high60 Ų6064.4 Ų64.431%0.31436%0.362SS..  trans-112.6145.1176.8-58.4-174.4000109.7V144 P148 Q171 Y172V144-L146 HydrophobicContact CG1-CD2 4.04Å; V144-L146 PolarHBondContact O-N 3.07Å; L146-P148 WeakPolarHBondContact O-CD 3.4Å; L146-Q171 HydrophobicContact CD1-CB 3.95Å; L146-Q171 HydrophobicContact CD2-CB 4.07Å; L146-Y172 HydrophobicContact CB-CD1 4.33Å; L146-Y172 HydrophobicContact CB-CE1 3.62Å; L146-Y172 HydrophobicContact CD1-CD1 4.08Å; L146-Y172 HydrophobicContact CD1-CE1 4.19Å; L146-Y172 HydrophobicContact CD2-CD1 4.39Å; L146-Y172 HydrophobicContact CD2-CD2 4.23Å; L146-Y172 HydrophobicContact CD2-CE1 4.03Å; L146-Y172 HydrophobicContact CD2-CE2 3.86Å; L146-Y172 HydrophobicContact CD2-CG 4.47Å; L146-Y172 HydrophobicContact CG-CE1 4.16Å
147D97.4Very high96.2Very high40 Ų4064 Ų6421%0.21435%0.346CS..  trans-78.7117.2171.6-176.8-21.2000108.8K106 E149 V150 Y172K106-D147 WeakPolarHBondContact CD-OD2 3.48Å; K106-D147 IonicContact NZ-OD1 3.34Å; K106-D147 IonicContact NZ-OD2 2.71Å; K106-D147 PolarHBondContact NZ-OD2 3.23Å; D147-E149 PolarHBondContact O-N 3.4Å; D147-E149 WeakPolarHBondContact OD1-CB 3.36Å; D147-E149 PolarHBondContact OD1-N 2.91Å; D147-V150 HydrophobicContact CB-CG2 3.96Å; D147-V150 WeakPolarHBondContact O-CB 3.46Å; D147-V150 PolarHBondContact O-N 3.43Å; D147-V150 VanDerWaalsContact O-N 3.15Å; D147-Y172 PolarHBondContact N-OH 3.39Å
148P96.6Very high96.3Very high123 Ų12356.7 Ų56.780%0.79932%0.315SS*.THydrogen-bonded Turntrans-67.4-13.7-177.229.8-36.6000113.5L146 V150L146-P148 WeakPolarHBondContact O-CD 3.4Å; P148-V150 VanDerWaalsContact C-N 3.31Å
149E97.9Very high96.4Very high111 Ų11156.7 Ų56.752%0.51932%0.315SS..THydrogen-bonded Turntrans-82-10176.7-58.9-174.295.200112.6G105 K106 D147 Q151G105-E149 CarbonylContact C-O 3.59Å; G105-E149 WeakPolarHBondContact CA-O 3.45Å; K106-E149 HydrophobicContact CD-CB 3.97Å; K106-E149 WeakPolarHBondContact CE-OE2 3.38Å; K106-E149 HydrophobicContact CG-CB 3.93Å; K106-E149 PolarHBondContact N-O 3.2Å; K106-E149 IonicContact NZ-OE2 2.99Å; K106-E149 PolarHBondContact NZ-OE2 2.95Å; D147-E149 PolarHBondContact O-N 3.4Å; D147-E149 WeakPolarHBondContact OD1-CB 3.36Å; D147-E149 PolarHBondContact OD1-N 2.91Å; E149-Q151 PolarHBondContact O-N 3.46Å
150V98.6Very high96.6Very high3 Ų353.2 Ų53.22%0.01830%0.295CS..EExtended strand (participates in β ladder)trans-71123.5176.5171.10000110.5K106 V127 D147 P148 Y172K106-V150 HydrophobicContact CB-CG2 4Å; K106-V150 WeakPolarHBondContact O-CA 3.31Å; V127-V150 HydrophobicContact CG2-CG2 3.9Å; D147-V150 HydrophobicContact CB-CG2 3.96Å; D147-V150 WeakPolarHBondContact O-CB 3.46Å; D147-V150 PolarHBondContact O-N 3.43Å; D147-V150 VanDerWaalsContact O-N 3.15Å; P148-V150 VanDerWaalsContact C-N 3.31Å; V150-Y172 HydrophobicContact CB-CD1 3.86Å; V150-Y172 HydrophobicContact CB-CE1 3.49Å; V150-Y172 VanDerWaalsContact CB-CE1 3.49Å; V150-Y172 HydrophobicContact CG1-CD1 3.61Å; V150-Y172 HydrophobicContact CG1-CD2 4.39Å; V150-Y172 HydrophobicContact CG1-CE1 3.69Å; V150-Y172 HydrophobicContact CG1-CE2 4.47Å; V150-Y172 HydrophobicContact CG1-CG 3.99Å; V150-Y172 HydrophobicContact CG2-CE1 3.87Å
151Q98.6Very high96.7Very high92 Ų9251.9 Ų51.943%0.4328%0.284SS..EExtended strand (participates in β ladder)trans-120.8-4.4-179.4-70.9179.6-12.600112.9L103 K106 E149 C178 L179L103-Q151 HydrophobicContact CD1-CB 3.6Å; K106-Q151 PolarHBondContact O-N 3.48Å; E149-Q151 PolarHBondContact O-N 3.46Å; Q151-C178 WeakPolarHBondContact O-CA 3.14Å; Q151-L179 PolarHBondContact O-N 3.28Å
152A98.8Very high96.9Very high0 Ų050.9 Ų50.90%028%0.284CS..EExtended strand (participates in β ladder)trans-146.6141.9-179.900000111.3L97 L103 K106 V107 Y108 L179L97-A152 HydrophobicContact CD2-CB 4.22Å; L103-A152 HydrophobicContact CD1-CB 4.18Å; L103-A152 HydrophobicContact CD2-CB 4.04Å; K106-A152 PolarHBondContact O-N 2.94Å; V107-A152 CarbonylContact C-O 3.5Å; V107-A152 WeakPolarHBondContact CA-O 3.47Å; V107-A152 HydrophobicContact CG2-CB 4.14Å; Y108-A152 PolarHBondContact N-O 2.99Å; A152-L179 CarbonylContact C-O 3.56Å; A152-L179 WeakPolarHBondContact CA-O 3.49Å; A152-L179 HydrophobicContact CB-CB 3.82Å; A152-L179 HydrophobicContact CB-CD1 4.36Å
153V98.9Very high97Very high0 Ų053.6 Ų53.60%028%0.282CS..EExtended strand (participates in β ladder)trans-105125.7163.7175.70000108.8Y108 V155 A169 Y172 L173 L179 F180 V181Y108-V153 HydrophobicContact CD1-CG1 4.36Å; Y108-V153 HydrophobicContact CD1-CG2 4.37Å; Y108-V153 WeakPolarHBondContact O-CA 3.38Å; V153-V155 HydrophobicContact CG1-CG2 4.29Å; V153-A169 HydrophobicContact CG1-CB 3.95Å; V153-Y172 HydrophobicContact CG2-CD2 4.45Å; V153-Y172 HydrophobicContact CG2-CG 4.34Å; V153-L173 HydrophobicContact CB-CD1 4.24Å; V153-L173 HydrophobicContact CB-CD2 3.99Å; V153-L173 HydrophobicContact CB-CG 4.05Å; V153-L173 HydrophobicContact CG1-CD1 4.2Å; V153-L173 HydrophobicContact CG1-CG 4.5Å; V153-L173 HydrophobicContact CG2-CD1 4.39Å; V153-L173 HydrophobicContact CG2-CD2 4.02Å; V153-L173 HydrophobicContact CG2-CG 3.81Å; V153-L179 PolarHBondContact N-O 3.48Å; V153-F180 HydrophobicContact CB-CD2 4.44Å; V153-F180 HydrophobicContact CG1-CD2 4.38Å; V153-F180 HydrophobicContact CG1-CE2 4.5Å; V153-V181 PolarHBondContact O-N 2.99Å
154V98.8Very high97.2Very high0 Ų049.2 Ų49.20%025%0.251CS..EExtended strand (participates in β ladder)trans-115.4130.2175.9175.20000109.4C93 L97 V107 Y108 L109 V110 M115 V181C93-V154 VanDerWaalsContact SG-CG1 3.52Å; L97-V154 HydrophobicContact CD1-CG2 3.63Å; V107-V154 HydrophobicContact CG1-CB 3.73Å; V107-V154 HydrophobicContact CG1-CG2 3.46Å; V107-V154 VanDerWaalsContact CG1-CG2 3.46Å; V107-V154 HydrophobicContact CG2-CG2 4.36Å; Y108-V154 PolarHBondContact O-N 3.19Å; L109-V154 HydrophobicContact CD1-CB 4.02Å; L109-V154 HydrophobicContact CD1-CG1 3.82Å; V110-V154 PolarHBondContact N-O 3.19Å; M115-V154 HydrophobicContact CE-CG1 3.64Å; V154-V181 CarbonylContact C-O 3.56Å; V154-V181 VanDerWaalsContact CA-O 3.31Å; V154-V181 WeakPolarHBondContact CA-O 2.99Å; V154-V181 HydrophobicContact CG2-CB 4.36Å
155V98.8Very high97.4Very high0 Ų048.5 Ų48.50%025%0.247CC..EExtended strand (participates in β ladder)trans-116.3111.5175.8-174.70000109.8V110 V153 F180 V181 G182 T183 L203 L204 V207V110-V155 HydrophobicContact CB-CG1 4.46Å; V110-V155 HydrophobicContact CB-CG2 4.31Å; V110-V155 HydrophobicContact CG1-CG1 4.37Å; V110-V155 WeakPolarHBondContact O-CA 3.12Å; V153-V155 HydrophobicContact CG1-CG2 4.29Å; V155-F180 HydrophobicContact CG2-CE2 3.9Å; V155-V181 PolarHBondContact N-O 2.86Å; V155-G182 CarbonylContact O-C 3.58Å; V155-G182 WeakPolarHBondContact O-CA 3.41Å; V155-T183 PolarHBondContact O-N 3.34Å; V155-L203 HydrophobicContact CG1-CB 4.08Å; V155-L204 HydrophobicContact CB-CD1 3.81Å; V155-L204 HydrophobicContact CG1-CB 4.25Å; V155-L204 HydrophobicContact CG1-CD1 4.22Å; V155-L204 HydrophobicContact CG2-CD1 4.21Å; V155-V207 HydrophobicContact CG2-CB 4.18Å; V155-V207 HydrophobicContact CG2-CG1 4.18Å; V155-V207 HydrophobicContact CG2-CG2 3.96Å
156G98.1Very high97.7Very high0 Ų045.1 Ų45.10%022%0.223CC..  trans-114.8-166168.900000112V110 D158 T183 T200V110-G156 PolarHBondContact O-N 3.42Å; G156-D158 PolarHBondContact O-N 3.35Å; G156-T183 WeakPolarHBondContact CA-OG1 3.45Å; G156-T200 VanDerWaalsContact C-CG2 3.46Å
157F96.9Very high97.8Very high40 Ų4042.9 Ų42.918%0.17521%0.211CC..  trans-67.4126168.9-176.5-91.9000110.2S63 T64 G111 S112 E159 P198 T200S63-F157 PolarHBondContact OG-N 3.49Å; S63-F157 VanDerWaalsContact OG-N 3.09Å; T64-F157 HydrophobicContact CG2-CB 4.19Å; T64-F157 HydrophobicContact CG2-CD1 3.53Å; T64-F157 HydrophobicContact CG2-CE1 4.19Å; T64-F157 HydrophobicContact CG2-CG 4.05Å; G111-F157 CarbonylContact C-O 3.59Å; G111-F157 WeakPolarHBondContact CA-O 3.26Å; S112-F157 PolarHBondContact N-O 3.27Å; F157-E159 HydrophobicContact CE1-CB 4.24Å; F157-P198 WeakPolarHBondContact CE2-O 3.31Å; F157-T200 WeakPolarHBondContact CA-OG1 3.36Å; F157-T200 PolarHBondContact N-OG1 3.4Å; F157-T200 VanDerWaalsContact N-OG1 3.1Å
158D97.3Very high97.8Very high9 Ų943.4 Ų43.45%0.04821%0.21CC..  trans-137.7107.9-179.4-170.4-9.3000109.9V110 G111 G156 H160 F161 K165 L203V110-D158 HydrophobicContact CG1-CB 4.06Å; G111-D158 PolarHBondContact N-OD2 3.27Å; G156-D158 PolarHBondContact O-N 3.35Å; D158-H160 PolarHBondContact O-N 3.16Å; D158-H160 WeakPolarHBondContact OD1-CA 3.31Å; D158-H160 WeakPolarHBondContact OD1-CB 3.47Å; D158-H160 PolarHBondContact OD1-N 2.91Å; D158-F161 HydrophobicContact CB-CB 4.45Å; D158-F161 WeakPolarHBondContact O-CB 3.39Å; D158-F161 PolarHBondContact O-N 2.93Å; D158-K165 IonicContact OD1-NZ 3.52Å; D158-K165 PolarHBondContact OD1-NZ 3Å; D158-K165 VanDerWaalsContact OD2-CD 3.22Å; D158-K165 WeakPolarHBondContact OD2-CD 3.38Å; D158-K165 WeakPolarHBondContact OD2-CE 3.48Å; D158-K165 IonicContact OD2-NZ 3.86Å; D158-K165 PolarHBondContact OD2-NZ 3.42Å; D158-L203 HydrophobicContact CB-CD2 3.93Å
159E95.3Very high97.9Very high153 Ų15337.5 Ų37.572%0.71517%0.172SC*.THydrogen-bonded Turntrans-68.9-14.4176.564.4-174.3-157.800113.3F157F157-E159 HydrophobicContact CE1-CB 4.24Å
160H96.9Very high97.9Very high71 Ų7134.8 Ų34.833%0.32916%0.16SC..THydrogen-bonded Turntrans-103.219176.1-61.4-45.8000112.7D158 S162D158-H160 PolarHBondContact O-N 3.16Å; D158-H160 WeakPolarHBondContact OD1-CA 3.31Å; D158-H160 WeakPolarHBondContact OD1-CB 3.47Å; D158-H160 PolarHBondContact OD1-N 2.91Å; H160-S162 PolarHBondContact O-N 3.14Å; H160-S162 VanDerWaalsContact O-N 3.1Å
161F98Very high97.9Very high64 Ų6436.4 Ų36.428%0.28117%0.167SC..  trans-53.3120.8175.7-171.3-95.9000110.4V110 D158 L166 L203 A206 V207V110-F161 HydrophobicContact CG1-CD2 3.52Å; V110-F161 HydrophobicContact CG1-CE2 3.86Å; D158-F161 HydrophobicContact CB-CB 4.45Å; D158-F161 WeakPolarHBondContact O-CB 3.39Å; D158-F161 PolarHBondContact O-N 2.93Å; F161-L166 HydrophobicContact CZ-CB 4.04Å; F161-L166 HydrophobicContact CZ-CD1 4.31Å; F161-L203 HydrophobicContact CB-CD2 4.01Å; F161-L203 HydrophobicContact CB-CG 4.11Å; F161-L203 HydrophobicContact CD1-CG 4.41Å; F161-L203 HydrophobicContact CD2-CB 4Å; F161-L203 HydrophobicContact CD2-CD2 3.98Å; F161-L203 HydrophobicContact CD2-CG 3.78Å; F161-L203 HydrophobicContact CE2-CB 4.05Å; F161-L203 HydrophobicContact CE2-CG 4.3Å; F161-L203 HydrophobicContact CG-CB 4.49Å; F161-L203 HydrophobicContact CG-CD2 4.16Å; F161-L203 HydrophobicContact CG-CG 3.84Å; F161-A206 HydrophobicContact CE1-CB 4.31Å; F161-A206 HydrophobicContact CZ-CB 3.98Å; F161-V207 HydrophobicContact CE2-CG2 4.06Å; F161-V207 HydrophobicContact CZ-CG2 4.33Å
162S97.3Very high97.9Very high24 Ų2432.4 Ų32.417%0.16815%0.148CC..  trans-134.5165-174.483.70000111D132 H160 M164 K165 L166D132-S162 WeakPolarHBondContact O-CB 3.48Å; D132-S162 PolarHBondContact O-OG 3.2Å; H160-S162 PolarHBondContact O-N 3.14Å; H160-S162 VanDerWaalsContact O-N 3.1Å; S162-M164 PolarHBondContact O-N 2.91Å; S162-M164 PolarHBondContact OG-N 3.34Å; S162-K165 PolarHBondContact O-N 2.89Å; S162-K165 PolarHBondContact OG-N 3.43Å; S162-L166 PolarHBondContact O-N 3.14Å
163Y97.2Very high97.9Very high120 Ų12032.6 Ų32.647%0.47115%0.149SC..Hα-helixtrans-56.4-39172.2-179.4-92.5000112W141 L166 N167W141-Y163 AromaticContact CD2-CE1 3.85Å; W141-Y163 HydrophobicContact CD2-CE1 3.85Å; W141-Y163 HydrophobicContact CE3-CD1 4.41Å; W141-Y163 AromaticContact CE3-CE1 3.4Å; W141-Y163 HydrophobicContact CE3-CE1 3.4Å; W141-Y163 AromaticContact CE3-CZ 3.89Å; W141-Y163 HydrophobicContact CG-CE1 4.48Å; W141-Y163 HydrophobicContact CH2-CE1 4.32Å; W141-Y163 HydrophobicContact CZ3-CD1 4.49Å; W141-Y163 AromaticContact CZ3-CE1 3.66Å; W141-Y163 HydrophobicContact CZ3-CE1 3.66Å; W141-Y163 AromaticContact CZ3-CZ 3.99Å; Y163-L166 PolarHBondContact O-N 3.02Å; Y163-N167 HydrophobicContact CE1-CB 4.43Å; Y163-N167 WeakPolarHBondContact O-CB 3.46Å; Y163-N167 PolarHBondContact O-N 3.2Å
164M97.7Very high97.7Very high5 Ų537.2 Ų37.23%0.02518%0.177CC..Hα-helixtrans-67.4-38.6179.2-66.3-52-59.200111.9D132 V134 W141 V144 S162 N167 R168D132-M164 HydrophobicContact CB-CB 4.27Å; D132-M164 WeakPolarHBondContact OD2-CB 3.5Å; V134-M164 HydrophobicContact CG2-CG 4.35Å; W141-M164 HydrophobicContact CG-CE 4.46Å; W141-M164 HydrophobicContact CG-SD 4.22Å; V144-M164 HydrophobicContact CG2-CE 4.41Å; S162-M164 PolarHBondContact O-N 2.91Å; S162-M164 PolarHBondContact OG-N 3.34Å; M164-N167 PolarHBondContact O-N 2.91Å; M164-R168 WeakPolarHBondContact O-CG 3.36Å; M164-R168 PolarHBondContact O-N 2.95Å
165K98.2Very high97.5Very high1 Ų142 Ų420%0.00420%0.199CC..Hα-helixtrans-64-44174.8-68.2-158.5-177-166.50112.4Y108 V110 G128 G130 D132 D158 S162 R168 A169Y108-K165 VanDerWaalsContact OH-CA 3.27Å; Y108-K165 WeakPolarHBondContact OH-CA 3.34Å; Y108-K165 PolarHBondContact OH-O 3.16Å; V110-K165 HydrophobicContact CG2-CB 4.48Å; G128-K165 VanDerWaalsContact O-CE 3.25Å; G128-K165 WeakPolarHBondContact O-CE 3.5Å; G128-K165 PolarHBondContact O-NZ 3.42Å; G130-K165 WeakPolarHBondContact O-CE 3.39Å; G130-K165 PolarHBondContact O-NZ 3.12Å; D132-K165 HydrophobicContact CB-CG 3.79Å; D158-K165 IonicContact OD1-NZ 3.52Å; D158-K165 PolarHBondContact OD1-NZ 3Å; D158-K165 VanDerWaalsContact OD2-CD 3.22Å; D158-K165 WeakPolarHBondContact OD2-CD 3.38Å; D158-K165 WeakPolarHBondContact OD2-CE 3.48Å; D158-K165 IonicContact OD2-NZ 3.86Å; D158-K165 PolarHBondContact OD2-NZ 3.42Å; S162-K165 PolarHBondContact O-N 2.89Å; S162-K165 PolarHBondContact OG-N 3.43Å; K165-R168 PolarHBondContact O-N 3.24Å; K165-A169 WeakPolarHBondContact O-CB 3.43Å; K165-A169 PolarHBondContact O-N 3.35Å
166L98.4Very high97.2Very high32 Ų3250.8 Ų50.817%0.16824%0.238CC..Hα-helixtrans-59.3-46.5174.7175.259.9000111.1F161 S162 Y163 A169 M170 A206 V207 A210F161-L166 HydrophobicContact CZ-CB 4.04Å; F161-L166 HydrophobicContact CZ-CD1 4.31Å; S162-L166 PolarHBondContact O-N 3.14Å; Y163-L166 PolarHBondContact O-N 3.02Å; L166-A169 PolarHBondContact O-N 2.98Å; L166-M170 WeakPolarHBondContact O-CB 3.45Å; L166-M170 PolarHBondContact O-N 2.89Å; L166-A206 HydrophobicContact CD1-CB 4.42Å; L166-V207 HydrophobicContact CD1-CB 4.19Å; L166-V207 HydrophobicContact CD1-CG2 3.75Å; L166-A210 HydrophobicContact CD1-CB 3.71Å; L166-A210 HydrophobicContact CG-CB 4.24Å
167N98.3Very high97.1Very high12 Ų1258.2 Ų58.26%0.06428%0.278CS..Hα-helixtrans-60-50.1177.7-17965.8000111.2W141 Y163 M164 A169 M170 Q171W141-N167 PolarHBondContact O-ND2 3.38Å; Y163-N167 HydrophobicContact CE1-CB 4.43Å; Y163-N167 WeakPolarHBondContact O-CB 3.46Å; Y163-N167 PolarHBondContact O-N 3.2Å; M164-N167 PolarHBondContact O-N 2.91Å; N167-A169 PolarHBondContact O-N 3.37Å; N167-M170 WeakPolarHBondContact O-CB 3.45Å; N167-M170 PolarHBondContact O-N 3.14Å; N167-Q171 WeakPolarHBondContact O-CG 3.41Å; N167-Q171 PolarHBondContact O-N 3.26Å
168R98.3Very high97.2Very high51 Ų5156.4 Ų56.419%0.19227%0.27CS..Hα-helixtrans-60.5-44.4177.5-71.4175.3-178.6-71.6-1.7112.3Y108 D132 V144 P145 M164 K165 M170 Q171 Y172Y108-R168 HydrophobicContact CE1-CB 3.96Å; Y108-R168 HydrophobicContact CE2-CB 4.03Å; Y108-R168 WeakPolarHBondContact OH-CB 3.39Å; D132-R168 WeakPolarHBondContact OD2-CD 3.2Å; D132-R168 IonicContact OD2-NE 3.61Å; D132-R168 PolarHBondContact OD2-NE 2.73Å; V144-R168 HydrophobicContact CG1-CG 4.22Å; V144-R168 HydrophobicContact CG2-CG 4.27Å; V144-R168 VanDerWaalsContact CG2-NH2 3.29Å; P145-R168 PolarHBondContact O-NH1 3.02Å; M164-R168 WeakPolarHBondContact O-CG 3.36Å; M164-R168 PolarHBondContact O-N 2.95Å; K165-R168 PolarHBondContact O-N 3.24Å; R168-M170 PolarHBondContact O-N 3.01Å; R168-Q171 PolarHBondContact O-N 3.5Å; R168-Y172 WeakPolarHBondContact O-CD2 3.39Å; R168-Y172 PolarHBondContact O-N 3.39Å
169A98.5Very high97.2Very high0 Ų058.7 Ų58.70%028%0.282CS..Hα-helixtrans-56.9-49.1175.600000111.2Y108 V110 V153 K165 L166 N167 Q171 Y172 L173 V207Y108-A169 HydrophobicContact CD1-CB 4.25Å; Y108-A169 HydrophobicContact CE1-CB 3.95Å; V110-A169 HydrophobicContact CG2-CB 4.3Å; V153-A169 HydrophobicContact CG1-CB 3.95Å; K165-A169 WeakPolarHBondContact O-CB 3.43Å; K165-A169 PolarHBondContact O-N 3.35Å; L166-A169 PolarHBondContact O-N 2.98Å; N167-A169 PolarHBondContact O-N 3.37Å; A169-Q171 VanDerWaalsContact C-N 3.32Å; A169-Q171 PolarHBondContact O-N 3.17Å; A169-Y172 PolarHBondContact O-N 2.81Å; A169-L173 WeakPolarHBondContact O-CB 3.38Å; A169-L173 WeakPolarHBondContact O-CD1 3.16Å; A169-L173 WeakPolarHBondContact O-CG 3.45Å; A169-L173 PolarHBondContact O-N 3.22Å; A169-V207 HydrophobicContact CB-CG1 3.87Å; A169-V207 HydrophobicContact CB-CG2 4.39Å
170M98.1Very high97.4Very high54 Ų5452 Ų5227%0.26625%0.25SS..Hα-helixtrans-56.4-46.3174.8178.8-161.77600111.4L166 N167 R168 Y172 L173 T174 A210L166-M170 WeakPolarHBondContact O-CB 3.45Å; L166-M170 PolarHBondContact O-N 2.89Å; N167-M170 WeakPolarHBondContact O-CB 3.45Å; N167-M170 PolarHBondContact O-N 3.14Å; R168-M170 PolarHBondContact O-N 3.01Å; M170-Y172 PolarHBondContact O-N 2.67Å; M170-L173 CarbonylContact O-C 3.52Å; M170-L173 PolarHBondContact O-N 2.99Å; M170-L173 VanDerWaalsContact O-N 3.09Å; M170-T174 WeakPolarHBondContact O-CG2 3.48Å; M170-T174 PolarHBondContact O-N 3.31Å; M170-A210 HydrophobicContact CB-CB 4.17Å; M170-A210 HydrophobicContact CG-CB 4.24Å; M170-A210 HydrophobicContact SD-CB 4.39Å
171Q97.8Very high97.5Very high37 Ų3748.7 Ų48.717%0.17324%0.235CC..Hα-helixtrans-63.3-43.5-177.8-65-75.661.800112.1A142 V144 L146 N167 R168 A169 L173 T174A142-Q171 PolarHBondContact O-NE2 2.92Å; V144-Q171 HydrophobicContact CG1-CG 4.12Å; L146-Q171 HydrophobicContact CD1-CB 3.95Å; L146-Q171 HydrophobicContact CD2-CB 4.07Å; N167-Q171 WeakPolarHBondContact O-CG 3.41Å; N167-Q171 PolarHBondContact O-N 3.26Å; R168-Q171 PolarHBondContact O-N 3.5Å; A169-Q171 VanDerWaalsContact C-N 3.32Å; A169-Q171 PolarHBondContact O-N 3.17Å; Q171-L173 VanDerWaalsContact C-N 3.31Å; Q171-L173 PolarHBondContact O-N 3.17Å; Q171-T174 PolarHBondContact O-N 3.37Å; Q171-T174 PolarHBondContact O-OG1 3.1Å
172Y98.4Very high97.5Very high8 Ų845.7 Ų45.73%0.03122%0.222CC..Hα-helixtrans-61.3-40.2171.1-74.3-64.2000112.1Y108 L146 D147 V150 V153 R168 A169 M170 T174 Q175 C178Y108-Y172 AromaticContact CD1-CD2 3.88Å; Y108-Y172 HydrophobicContact CD1-CD2 3.88Å; Y108-Y172 HydrophobicContact CD1-CE2 4.11Å; Y108-Y172 HydrophobicContact CD2-CD2 4.07Å; Y108-Y172 AromaticContact CD2-CE2 3.43Å; Y108-Y172 HydrophobicContact CD2-CE2 3.43Å; Y108-Y172 VanDerWaalsContact CD2-CE2 3.43Å; Y108-Y172 HydrophobicContact CE2-CE2 4.12Å; Y108-Y172 AromaticContact CG-CD2 3.58Å; Y108-Y172 HydrophobicContact CG-CD2 3.58Å; Y108-Y172 AromaticContact CG-CE2 3.43Å; Y108-Y172 HydrophobicContact CG-CE2 3.43Å; Y108-Y172 VanDerWaalsContact CG-CE2 3.43Å; L146-Y172 HydrophobicContact CB-CD1 4.33Å; L146-Y172 HydrophobicContact CB-CE1 3.62Å; L146-Y172 HydrophobicContact CD1-CD1 4.08Å; L146-Y172 HydrophobicContact CD1-CE1 4.19Å; L146-Y172 HydrophobicContact CD2-CD1 4.39Å; L146-Y172 HydrophobicContact CD2-CD2 4.23Å; L146-Y172 HydrophobicContact CD2-CE1 4.03Å; L146-Y172 HydrophobicContact CD2-CE2 3.86Å; L146-Y172 HydrophobicContact CD2-CG 4.47Å; L146-Y172 HydrophobicContact CG-CE1 4.16Å; D147-Y172 PolarHBondContact N-OH 3.39Å; V150-Y172 HydrophobicContact CB-CD1 3.86Å; V150-Y172 HydrophobicContact CB-CE1 3.49Å; V150-Y172 VanDerWaalsContact CB-CE1 3.49Å; V150-Y172 HydrophobicContact CG1-CD1 3.61Å; V150-Y172 HydrophobicContact CG1-CD2 4.39Å; V150-Y172 HydrophobicContact CG1-CE1 3.69Å; V150-Y172 HydrophobicContact CG1-CE2 4.47Å; V150-Y172 HydrophobicContact CG1-CG 3.99Å; V150-Y172 HydrophobicContact CG2-CE1 3.87Å; V153-Y172 HydrophobicContact CG2-CD2 4.45Å; V153-Y172 HydrophobicContact CG2-CG 4.34Å; R168-Y172 WeakPolarHBondContact O-CD2 3.39Å; R168-Y172 PolarHBondContact O-N 3.39Å; A169-Y172 PolarHBondContact O-N 2.81Å; M170-Y172 PolarHBondContact O-N 2.67Å; Y172-T174 PolarHBondContact O-N 3.12Å; Y172-Q175 WeakPolarHBondContact O-CB 3.32Å; Y172-Q175 PolarHBondContact O-N 3.22Å; Y172-C178 WeakPolarHBondContact O-CB 3.35Å
173L98.4Very high97.5Very high4 Ų444.5 Ų44.52%0.02121%0.214CC..Hα-helixtrans-75.3-6.5-177.4-70.3171.1000114.5V153 A169 M170 Q171 Q175 F180 V207 A211 R213V153-L173 HydrophobicContact CB-CD1 4.24Å; V153-L173 HydrophobicContact CB-CD2 3.99Å; V153-L173 HydrophobicContact CB-CG 4.05Å; V153-L173 HydrophobicContact CG1-CD1 4.2Å; V153-L173 HydrophobicContact CG1-CG 4.5Å; V153-L173 HydrophobicContact CG2-CD1 4.39Å; V153-L173 HydrophobicContact CG2-CD2 4.02Å; V153-L173 HydrophobicContact CG2-CG 3.81Å; A169-L173 WeakPolarHBondContact O-CB 3.38Å; A169-L173 WeakPolarHBondContact O-CD1 3.16Å; A169-L173 WeakPolarHBondContact O-CG 3.45Å; A169-L173 PolarHBondContact O-N 3.22Å; M170-L173 CarbonylContact O-C 3.52Å; M170-L173 PolarHBondContact O-N 2.99Å; M170-L173 VanDerWaalsContact O-N 3.09Å; Q171-L173 VanDerWaalsContact C-N 3.31Å; Q171-L173 PolarHBondContact O-N 3.17Å; L173-Q175 PolarHBondContact O-N 3.12Å; L173-F180 HydrophobicContact CD1-CD1 4Å; L173-F180 HydrophobicContact CD1-CD2 3.8Å; L173-F180 HydrophobicContact CD1-CE1 4.03Å; L173-F180 HydrophobicContact CD1-CE2 3.87Å; L173-F180 HydrophobicContact CD1-CG 3.89Å; L173-F180 HydrophobicContact CD1-CZ 4Å; L173-F180 HydrophobicContact CD2-CB 3.56Å; L173-F180 HydrophobicContact CD2-CD1 4.26Å; L173-F180 HydrophobicContact CD2-CD2 4.08Å; L173-F180 HydrophobicContact CD2-CG 3.71Å; L173-F180 HydrophobicContact CG-CG 4.48Å; L173-V207 HydrophobicContact CD1-CG1 3.75Å; L173-A211 HydrophobicContact CB-CB 3.81Å; L173-A211 HydrophobicContact CD1-CB 3.58Å; L173-A211 HydrophobicContact CG-CB 4.34Å; L173-R213 WeakPolarHBondContact O-CD 3.3Å; L173-R213 PolarHBondContact O-NH1 3.01Å
174T95.9Very high97.5Very high97 Ų9739 Ų3960%0.59519%0.193SC*.THydrogen-bonded Turntrans-63.5-27.8166.665.40000111.7M170 Q171 Y172 K176M170-T174 WeakPolarHBondContact O-CG2 3.48Å; M170-T174 PolarHBondContact O-N 3.31Å; Q171-T174 PolarHBondContact O-N 3.37Å; Q171-T174 PolarHBondContact O-OG1 3.1Å; Y172-T174 PolarHBondContact O-N 3.12Å; T174-K176 PolarHBondContact O-N 2.87Å
175Q94.4Very high97.3Very high99 Ų9943.9 Ų43.946%0.46321%0.211SC..SBendtrans-75.3117172.7-55.7-18016.300109.1Y172 L173 D177 C178 R213Y172-Q175 WeakPolarHBondContact O-CB 3.32Å; Y172-Q175 PolarHBondContact O-N 3.22Å; L173-Q175 PolarHBondContact O-N 3.12Å; Q175-D177 PolarHBondContact O-N 3.1Å; Q175-C178 HydrophobicContact CB-CB 4.06Å; Q175-C178 VanDerWaalsContact O-CB 3.31Å; Q175-C178 WeakPolarHBondContact O-CB 3.21Å; Q175-C178 PolarHBondContact O-N 3.48Å; Q175-C178 VanDerWaalsContact O-N 3.1Å; Q175-R213 PolarHBondContact O-NH1 3.19Å
176K92.4Very high97.1Very high185 Ų18545 Ų4580%0.80422%0.217SC*.THydrogen-bonded Turntrans-61-33.8-175.7-68.6-172.3178.2-178.30113.1T174 C178 R213T174-K176 PolarHBondContact O-N 2.87Å; K176-C178 VanDerWaalsContact C-N 3.29Å; K176-C178 PolarHBondContact O-N 3.44Å; K176-R213 PolarHBondContact O-NH2 2.78Å
177D95.6Very high96.7Very high157 Ų15746.8 Ų46.884%0.8423%0.229SC*.THydrogen-bonded Turntrans-82.5-8.2-178.1-55.4-32.3000112.8Q175 L179Q175-D177 PolarHBondContact O-N 3.1Å; D177-L179 PolarHBondContact O-N 3.29Å
178C98.3Very high96.2Very high2 Ų254.4 Ų54.41%0.01426%0.257CS..SBendtrans-70.1121.8172.4-174.90000109.4Q151 Y172 Q175 K176 R213Q151-C178 WeakPolarHBondContact O-CA 3.14Å; Y172-C178 WeakPolarHBondContact O-CB 3.35Å; Q175-C178 HydrophobicContact CB-CB 4.06Å; Q175-C178 VanDerWaalsContact O-CB 3.31Å; Q175-C178 WeakPolarHBondContact O-CB 3.21Å; Q175-C178 PolarHBondContact O-N 3.48Å; Q175-C178 VanDerWaalsContact O-N 3.1Å; K176-C178 VanDerWaalsContact C-N 3.29Å; K176-C178 PolarHBondContact O-N 3.44Å; C178-R213 PolarHBondContact O-NH1 3.15Å; C178-R213 PolarHBondContact O-NH2 3.14Å
179L98.6Very high95.5Very high57 Ų5754.2 Ų54.230%0.29826%0.26SS..EExtended strand (participates in β ladder)trans-65.4143.4178.3-61.1173.6000110.1L97 C101 L103 Q151 A152 V153 D177L97-L179 HydrophobicContact CD2-CD1 4.1Å; C101-L179 HydrophobicContact CB-CD1 3.6Å; L103-L179 HydrophobicContact CD1-CD1 4.1Å; Q151-L179 PolarHBondContact O-N 3.28Å; A152-L179 CarbonylContact C-O 3.56Å; A152-L179 WeakPolarHBondContact CA-O 3.49Å; A152-L179 HydrophobicContact CB-CB 3.82Å; A152-L179 HydrophobicContact CB-CD1 4.36Å; V153-L179 PolarHBondContact N-O 3.48Å; D177-L179 PolarHBondContact O-N 3.29Å
180F98.7Very high94.5Very high12 Ų1257.8 Ų57.85%0.05328%0.283CS..EExtended strand (participates in β ladder)trans-125110.4176.1-171.1-162.6000110.4V153 V155 L173 L204 V207 E208 R213 A215 Q216V153-F180 HydrophobicContact CB-CD2 4.44Å; V153-F180 HydrophobicContact CG1-CD2 4.38Å; V153-F180 HydrophobicContact CG1-CE2 4.5Å; V155-F180 HydrophobicContact CG2-CE2 3.9Å; L173-F180 HydrophobicContact CD1-CD1 4Å; L173-F180 HydrophobicContact CD1-CD2 3.8Å; L173-F180 HydrophobicContact CD1-CE1 4.03Å; L173-F180 HydrophobicContact CD1-CE2 3.87Å; L173-F180 HydrophobicContact CD1-CG 3.89Å; L173-F180 HydrophobicContact CD1-CZ 4Å; L173-F180 HydrophobicContact CD2-CB 3.56Å; L173-F180 HydrophobicContact CD2-CD1 4.26Å; L173-F180 HydrophobicContact CD2-CD2 4.08Å; L173-F180 HydrophobicContact CD2-CG 3.71Å; L173-F180 HydrophobicContact CG-CG 4.48Å; F180-L204 HydrophobicContact CE2-CD1 4.13Å; F180-L204 HydrophobicContact CZ-CD1 4.15Å; F180-V207 HydrophobicContact CE1-CG1 4.49Å; F180-V207 HydrophobicContact CE2-CB 4.39Å; F180-V207 HydrophobicContact CE2-CG1 3.7Å; F180-V207 HydrophobicContact CZ-CB 4.01Å; F180-V207 HydrophobicContact CZ-CG1 3.52Å; F180-E208 HydrophobicContact CE1-CB 4.37Å; F180-E208 HydrophobicContact CE1-CG 3.65Å; F180-E208 HydrophobicContact CZ-CG 3.75Å; F180-R213 HydrophobicContact CD1-CB 4.1Å; F180-R213 HydrophobicContact CE1-CB 4.47Å; F180-R213 WeakPolarHBondContact CE1-O 3.38Å; F180-A215 HydrophobicContact CD1-CB 3.82Å; F180-A215 HydrophobicContact CD2-CB 3.86Å; F180-A215 HydrophobicContact CE1-CB 3.82Å; F180-A215 HydrophobicContact CE2-CB 3.82Å; F180-A215 HydrophobicContact CG-CB 3.84Å; F180-A215 HydrophobicContact CZ-CB 3.81Å; F180-A215 WeakPolarHBondContact O-CA 3.44Å; F180-Q216 PolarHBondContact O-N 3.28Å
181V98.6Very high93.6Very high2 Ų259.5 Ų59.51%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-126.1135.2-172.9-176.60000110.8Y96 L97 V153 V154 V155 Q216 V218Y96-V181 HydrophobicContact CD1-CG1 4.21Å; Y96-V181 HydrophobicContact CD1-CG2 4.17Å; Y96-V181 HydrophobicContact CE1-CG1 4.46Å; Y96-V181 HydrophobicContact CE1-CG2 3.87Å; L97-V181 HydrophobicContact CD2-CG2 3.88Å; V153-V181 PolarHBondContact O-N 2.99Å; V154-V181 CarbonylContact C-O 3.56Å; V154-V181 VanDerWaalsContact CA-O 3.31Å; V154-V181 WeakPolarHBondContact CA-O 2.99Å; V154-V181 HydrophobicContact CG2-CB 4.36Å; V155-V181 PolarHBondContact N-O 2.86Å; V181-Q216 CarbonylContact C-O 3.57Å; V181-Q216 VanDerWaalsContact CA-O 3.27Å; V181-Q216 WeakPolarHBondContact CA-O 3.4Å; V181-Q216 WeakPolarHBondContact CG1-O 3.43Å; V181-V218 HydrophobicContact CG1-CG1 3.89Å
182G98.2Very high92.5Very high0 Ų064 Ų640%031%0.314CS..EExtended strand (participates in β ladder)trans-113.3143.5172.200000111.3V155 Q216 T217 V218V155-G182 CarbonylContact O-C 3.58Å; V155-G182 WeakPolarHBondContact O-CA 3.41Å; G182-Q216 PolarHBondContact N-O 3.35Å; G182-T217 VanDerWaalsContact O-CA 3.25Å; G182-T217 WeakPolarHBondContact O-CA 3.47Å; G182-V218 PolarHBondContact O-N 3.28Å; G182-V218 VanDerWaalsContact O-N 3.15Å
183T97.6Very high91.4Very high0 Ų067.5 Ų67.50%035%0.352CS..SBendtrans-69.6-42.7177.257.90000112.1T89 C93 M115 V155 G156 T200 G219T89-T183 WeakPolarHBondContact CG2-O 3.49Å; C93-T183 HydrophobicContact CB-CG2 4.47Å; M115-T183 HydrophobicContact CE-CG2 3.26Å; M115-T183 HydrophobicContact SD-CG2 4.06Å; V155-T183 PolarHBondContact O-N 3.34Å; G156-T183 WeakPolarHBondContact CA-OG1 3.45Å; T183-T200 WeakPolarHBondContact OG1-CG2 3.21Å; T183-G219 WeakPolarHBondContact O-CA 3.45Å; T183-G219 PolarHBondContact O-N 2.93Å
184N96.2Very high90.3Very high5 Ų571.3 Ų71.33%0.02739%0.392CS..  trans-162.41731796672.1000110.1N61 D186 T200N61-N184 HydrophobicContact CB-CB 4.04Å; N61-N184 PolarHBondContact O-ND2 3Å; N184-D186 VanDerWaalsContact OD1-CB 3.31Å; N184-D186 WeakPolarHBondContact OD1-CB 3.38Å; N184-D186 PolarHBondContact OD1-N 2.92Å; N184-T200 WeakPolarHBondContact OD1-CB 3.39Å
185R95.4Very high89.7Confident107 Ų10774 Ų7440%0.40440%0.395SS..  trans-107.916.6175.9-65.3-168.6170.3-97.76.1113.5T187 L204 E208 T217R185-T187 PolarHBondContact O-N 2.91Å; R185-L204 HydrophobicContact CG-CD2 4.1Å; R185-E208 IonicContact CZ-OE1 3.7Å; R185-E208 IonicContact CZ-OE2 2.69Å; R185-E208 IonicContact NH1-OE1 3.18Å; R185-E208 PolarHBondContact NH1-OE1 2.97Å; R185-E208 IonicContact NH1-OE2 3.42Å; R185-E208 PolarHBondContact NH1-OE2 2.8Å; R185-E208 IonicContact NH2-OE1 2.75Å; R185-E208 PolarHBondContact NH2-OE1 3.47Å; R185-E208 IonicContact NH2-OE2 2.77Å; R185-T217 HydrophobicContact CG-CG2 3.85Å
186D92.5Very high89.3Confident23 Ų2371.3 Ų71.312%0.12339%0.391CS..  trans-66.8120.6-177.4-66.8-40.5000110.7N61 N184 G199 T200 G201 R246N61-D186 VanDerWaalsContact CB-OD2 3.22Å; N61-D186 WeakPolarHBondContact CB-OD2 3.42Å; N61-D186 PolarHBondContact ND2-OD2 2.95Å; N184-D186 VanDerWaalsContact OD1-CB 3.31Å; N184-D186 WeakPolarHBondContact OD1-CB 3.38Å; N184-D186 PolarHBondContact OD1-N 2.92Å; D186-G199 CarbonylContact O-C 3.12Å; D186-G199 VanDerWaalsContact O-CA 3.23Å; D186-G199 WeakPolarHBondContact O-CA 3.15Å; D186-T200 PolarHBondContact O-N 2.91Å; D186-G201 WeakPolarHBondContact O-CA 3.41Å; D186-G201 PolarHBondContact O-N 3.33Å; D186-R246 IonicContact OD1-CZ 2.63Å; D186-R246 IonicContact OD1-NH1 2.84Å; D186-R246 PolarHBondContact OD1-NH1 3.36Å; D186-R246 IonicContact OD1-NH2 3.14Å
187T90.6Very high89.2Confident71 Ų7165.2 Ų65.244%0.43637%0.368SS..  trans-83.5-15.5-176.356.40000113R185 G199 C202R185-T187 PolarHBondContact O-N 2.91Å; T187-G199 PolarHBondContact O-N 3.37Å; T187-C202 PolarHBondContact O-SG 3.22Å; T187-C202 VanDerWaalsContact O-SG 3.33Å
188R87.3Confident89.1Confident171 Ų17161.7 Ų61.765%0.64535%0.354SS*.EExtended strand (participates in β ladder)trans-137136.8-176.8-65.1-179.7-177.1-88.4-0.4110.3A196 V197R188-A196 HydrophobicContact CB-CB 4.23Å; R188-V197 WeakPolarHBondContact CA-O 3.36Å
189L83.3Confident88.9Confident48 Ų4861.8 Ų61.825%0.25136%0.356SS..EExtended strand (participates in β ladder)trans-101.4113.3162.6-174.976.2000107.8A196 V197L189-A196 VanDerWaalsContact O-CA 3.26Å; L189-A196 WeakPolarHBondContact O-CA 3.46Å; L189-A196 WeakPolarHBondContact O-CB 3.41Å; L189-V197 HydrophobicContact CB-CG2 3.79Å; L189-V197 HydrophobicContact CD2-CG2 3.97Å; L189-V197 HydrophobicContact CG-CG2 4.4Å; L189-V197 PolarHBondContact N-O 2.78Å; L189-V197 PolarHBondContact O-N 3.15Å
190P78.9Confident88.8Confident75 Ų7559.4 Ų59.449%0.48734%0.343SS..EExtended strand (participates in β ladder)trans-69.6145.2-178.927.9-33.1000111.7
191L78.5Confident88.7Confident90 Ų9059.1 Ų59.147%0.47134%0.344SS..  trans-127.8168.2175.5-62.7179.3000110.4K195 V197L191-K195 HydrophobicContact CB-CB 4.18Å; L191-K195 PolarHBondContact N-O 2.98Å; L191-V197 HydrophobicContact CD1-CG1 3.81Å
192E74.3Confident88.7Confident132 Ų13261.4 Ų61.462%0.61736%0.36SS*.G310 helixtrans-58.7149.6176.6-66.5-175.4176.700112.8G194E192-G194 VanDerWaalsContact C-N 3.33Å; E192-G194 PolarHBondContact O-N 2.84Å
193G75.8Confident88.7Confident81 Ų8162.2 Ų62.284%0.83536%0.363SS*.G310 helixtrans71.222.5178.900000114.7K195G193-K195 VanDerWaalsContact C-N 3.29Å; G193-K195 PolarHBondContact O-N 2.58Å
194G75.9Confident88.7Confident83 Ų8362.2 Ų62.286%0.85636%0.363SS*.G310 helixtrans75.614.7177.700000114.3E192E192-G194 VanDerWaalsContact C-N 3.33Å; E192-G194 PolarHBondContact O-N 2.84Å
195K82.3Confident88.8Confident153 Ų15367.7 Ų67.767%0.66539%0.389SS*.  trans-84.4160.9174.6-65.6179.1-177.9175.40110.2L191 G193L191-K195 HydrophobicContact CB-CB 4.18Å; L191-K195 PolarHBondContact N-O 2.98Å; G193-K195 VanDerWaalsContact C-N 3.29Å; G193-K195 PolarHBondContact O-N 2.58Å
196A85.8Confident89Confident44 Ų4464.2 Ų64.236%0.36438%0.383SS..EExtended strand (participates in β ladder)trans-150.2154.5173.100000110.5R188 L189R188-A196 HydrophobicContact CB-CB 4.23Å; L189-A196 VanDerWaalsContact O-CA 3.26Å; L189-A196 WeakPolarHBondContact O-CA 3.46Å; L189-A196 WeakPolarHBondContact O-CB 3.41Å
197V90.4Very high89.3Confident56 Ų5663.1 Ų63.134%0.33938%0.377SS..EExtended strand (participates in β ladder)trans-114.2161.1169.7-64.10000110.1R188 L189 L191 G199R188-V197 WeakPolarHBondContact CA-O 3.36Å; L189-V197 HydrophobicContact CB-CG2 3.79Å; L189-V197 HydrophobicContact CD2-CG2 3.97Å; L189-V197 HydrophobicContact CG-CG2 4.4Å; L189-V197 PolarHBondContact N-O 2.78Å; L189-V197 PolarHBondContact O-N 3.15Å; L191-V197 HydrophobicContact CD1-CG1 3.81Å; V197-G199 PolarHBondContact O-N 3.41Å
198P94.1Very high89.7Confident84 Ų8460.1 Ų60.155%0.54536%0.358SS..EExtended strand (participates in β ladder)trans-54.7130.8175.5-2635.8000111.6F157 C202F157-P198 WeakPolarHBondContact CE2-O 3.31Å; P198-C202 HydrophobicContact CB-CB 4.24Å
199G93.7Very high90.2Very high4 Ų456.8 Ų56.84%0.04136%0.357CS..  trans-89.5176.1174.500000112.4D186 T187 V197 G201 C202 L203D186-G199 CarbonylContact O-C 3.12Å; D186-G199 VanDerWaalsContact O-CA 3.23Å; D186-G199 WeakPolarHBondContact O-CA 3.15Å; T187-G199 PolarHBondContact O-N 3.37Å; V197-G199 PolarHBondContact O-N 3.41Å; G199-G201 PolarHBondContact O-N 3.11Å; G199-G201 VanDerWaalsContact O-N 3.14Å; G199-C202 WeakPolarHBondContact O-CB 3.42Å; G199-C202 PolarHBondContact O-N 2.81Å; G199-L203 WeakPolarHBondContact O-CD1 3.35Å
200T96.6Very high90.9Very high6 Ų656.3 Ų56.34%0.03736%0.36CS..Hα-helixtrans-55-33.5-179.2-56.60000113.2G156 F157 T183 N184 D186 C202 L203 L204G156-T200 VanDerWaalsContact C-CG2 3.46Å; F157-T200 WeakPolarHBondContact CA-OG1 3.36Å; F157-T200 PolarHBondContact N-OG1 3.4Å; F157-T200 VanDerWaalsContact N-OG1 3.1Å; T183-T200 WeakPolarHBondContact OG1-CG2 3.21Å; N184-T200 WeakPolarHBondContact OD1-CB 3.39Å; D186-T200 PolarHBondContact O-N 2.91Å; T200-C202 PolarHBondContact O-N 3.5Å; T200-L203 PolarHBondContact O-N 3.18Å; T200-L204 WeakPolarHBondContact O-CB 3.38Å; T200-L204 PolarHBondContact O-N 2.89Å
201G96.9Very high91.8Very high6 Ų653.5 Ų53.56%0.06234%0.343CS..Hα-helixtrans-55.8-33.8178.300000113.4D186 G199 Q205D186-G201 WeakPolarHBondContact O-CA 3.41Å; D186-G201 PolarHBondContact O-N 3.33Å; G199-G201 PolarHBondContact O-N 3.11Å; G199-G201 VanDerWaalsContact O-N 3.14Å; G201-Q205 VanDerWaalsContact O-CB 3.23Å; G201-Q205 WeakPolarHBondContact O-CB 3.46Å; G201-Q205 PolarHBondContact O-N 3.28Å
202C97.9Very high92.7Very high51 Ų5157.9 Ų57.935%0.34536%0.361SS..Hα-helixtrans-66.7-43.9175.8-63.50000112T187 P198 G199 T200 A206T187-C202 PolarHBondContact O-SG 3.22Å; T187-C202 VanDerWaalsContact O-SG 3.33Å; P198-C202 HydrophobicContact CB-CB 4.24Å; G199-C202 WeakPolarHBondContact O-CB 3.42Å; G199-C202 PolarHBondContact O-N 2.81Å; T200-C202 PolarHBondContact O-N 3.5Å; C202-A206 PolarHBondContact O-N 3.17Å
203L98.3Very high93.8Very high16 Ų1654.9 Ų54.98%0.08434%0.344CS..Hα-helixtrans-68.2-45.3179.8-70.359.8000109.7V155 D158 F161 G199 T200 Q205 A206 V207V155-L203 HydrophobicContact CG1-CB 4.08Å; D158-L203 HydrophobicContact CB-CD2 3.93Å; F161-L203 HydrophobicContact CB-CD2 4.01Å; F161-L203 HydrophobicContact CB-CG 4.11Å; F161-L203 HydrophobicContact CD1-CG 4.41Å; F161-L203 HydrophobicContact CD2-CB 4Å; F161-L203 HydrophobicContact CD2-CD2 3.98Å; F161-L203 HydrophobicContact CD2-CG 3.78Å; F161-L203 HydrophobicContact CE2-CB 4.05Å; F161-L203 HydrophobicContact CE2-CG 4.3Å; F161-L203 HydrophobicContact CG-CB 4.49Å; F161-L203 HydrophobicContact CG-CD2 4.16Å; F161-L203 HydrophobicContact CG-CG 3.84Å; G199-L203 WeakPolarHBondContact O-CD1 3.35Å; T200-L203 PolarHBondContact O-N 3.18Å; L203-Q205 PolarHBondContact O-N 3.06Å; L203-A206 WeakPolarHBondContact O-CB 3.27Å; L203-A206 PolarHBondContact O-N 2.91Å; L203-V207 WeakPolarHBondContact O-CG2 3.36Å; L203-V207 PolarHBondContact O-N 3.41Å; L203-V207 VanDerWaalsContact O-N 3.11Å
204L98.5Very high94.8Very high0 Ų057.2 Ų57.20%033%0.334CS..Hα-helixtrans-59.4-46.7177.8-174.665.6000111.1V155 F180 R185 T200 A206 V207 E208 A215 T217V155-L204 HydrophobicContact CB-CD1 3.81Å; V155-L204 HydrophobicContact CG1-CB 4.25Å; V155-L204 HydrophobicContact CG1-CD1 4.22Å; V155-L204 HydrophobicContact CG2-CD1 4.21Å; F180-L204 HydrophobicContact CE2-CD1 4.13Å; F180-L204 HydrophobicContact CZ-CD1 4.15Å; R185-L204 HydrophobicContact CG-CD2 4.1Å; T200-L204 WeakPolarHBondContact O-CB 3.38Å; T200-L204 PolarHBondContact O-N 2.89Å; L204-A206 VanDerWaalsContact C-N 3.3Å; L204-A206 PolarHBondContact O-N 2.84Å; L204-V207 PolarHBondContact O-N 3.45Å; L204-V207 VanDerWaalsContact O-N 3.16Å; L204-E208 HydrophobicContact CD1-CG 4.46Å; L204-E208 HydrophobicContact CG-CG 4.26Å; L204-E208 WeakPolarHBondContact O-CB 3.25Å; L204-E208 VanDerWaalsContact O-CG 3.32Å; L204-E208 WeakPolarHBondContact O-CG 3.22Å; L204-E208 PolarHBondContact O-N 3.35Å; L204-A215 HydrophobicContact CD1-CB 3.64Å; L204-A215 HydrophobicContact CD2-CB 4.49Å; L204-A215 HydrophobicContact CG-CB 4.43Å; L204-T217 HydrophobicContact CD2-CG2 3.82Å
205Q98.6Very high95.9Very high121 Ų12153.8 Ų53.857%0.56530%0.297SS*.Hα-helixtrans-61.7-37.3178.6-173.2172.52700112.4G201 L203 T209G201-Q205 VanDerWaalsContact O-CB 3.23Å; G201-Q205 WeakPolarHBondContact O-CB 3.46Å; G201-Q205 PolarHBondContact O-N 3.28Å; L203-Q205 PolarHBondContact O-N 3.06Å; Q205-T209 WeakPolarHBondContact O-CB 3.13Å; Q205-T209 PolarHBondContact O-N 3.4Å; Q205-T209 PolarHBondContact O-OG1 3.47Å
206A98.6Very high96.6Very high33 Ų3351 Ų5127%0.27329%0.286SS..Hα-helixtrans-62.7-45.7174.700000111.5F161 L166 C202 L203 L204 T209 A210F161-A206 HydrophobicContact CE1-CB 4.31Å; F161-A206 HydrophobicContact CZ-CB 3.98Å; L166-A206 HydrophobicContact CD1-CB 4.42Å; C202-A206 PolarHBondContact O-N 3.17Å; L203-A206 WeakPolarHBondContact O-CB 3.27Å; L203-A206 PolarHBondContact O-N 2.91Å; L204-A206 VanDerWaalsContact C-N 3.3Å; L204-A206 PolarHBondContact O-N 2.84Å; A206-T209 PolarHBondContact O-N 3.25Å; A206-A210 WeakPolarHBondContact O-CB 3.1Å; A206-A210 PolarHBondContact O-N 2.88Å
207V98.7Very high97.1Very high0 Ų050 Ų500%028%0.275CS..Hα-helixtrans-66.9-43177.4-177.30000111.5V155 F161 L166 A169 L173 F180 L203 L204 T209 A210 A211V155-V207 HydrophobicContact CG2-CB 4.18Å; V155-V207 HydrophobicContact CG2-CG1 4.18Å; V155-V207 HydrophobicContact CG2-CG2 3.96Å; F161-V207 HydrophobicContact CE2-CG2 4.06Å; F161-V207 HydrophobicContact CZ-CG2 4.33Å; L166-V207 HydrophobicContact CD1-CB 4.19Å; L166-V207 HydrophobicContact CD1-CG2 3.75Å; A169-V207 HydrophobicContact CB-CG1 3.87Å; A169-V207 HydrophobicContact CB-CG2 4.39Å; L173-V207 HydrophobicContact CD1-CG1 3.75Å; F180-V207 HydrophobicContact CE1-CG1 4.49Å; F180-V207 HydrophobicContact CE2-CB 4.39Å; F180-V207 HydrophobicContact CE2-CG1 3.7Å; F180-V207 HydrophobicContact CZ-CB 4.01Å; F180-V207 HydrophobicContact CZ-CG1 3.52Å; L203-V207 WeakPolarHBondContact O-CG2 3.36Å; L203-V207 PolarHBondContact O-N 3.41Å; L203-V207 VanDerWaalsContact O-N 3.11Å; L204-V207 PolarHBondContact O-N 3.45Å; L204-V207 VanDerWaalsContact O-N 3.16Å; V207-T209 VanDerWaalsContact C-N 3.29Å; V207-T209 PolarHBondContact O-N 3.08Å; V207-A210 PolarHBondContact O-N 3.32Å; V207-A211 WeakPolarHBondContact O-CB 3.47Å; V207-A211 PolarHBondContact O-N 2.91Å
208E98.7Very high97.4Very high8 Ų847.3 Ų47.34%0.03726%0.259CS..Hα-helixtrans-58.9-41.3175.8-73.8-177.1151.400111.8F180 R185 L204 Q212 R213 Q214 A215F180-E208 HydrophobicContact CE1-CB 4.37Å; F180-E208 HydrophobicContact CE1-CG 3.65Å; F180-E208 HydrophobicContact CZ-CG 3.75Å; R185-E208 IonicContact CZ-OE1 3.7Å; R185-E208 IonicContact CZ-OE2 2.69Å; R185-E208 IonicContact NH1-OE1 3.18Å; R185-E208 PolarHBondContact NH1-OE1 2.97Å; R185-E208 IonicContact NH1-OE2 3.42Å; R185-E208 PolarHBondContact NH1-OE2 2.8Å; R185-E208 IonicContact NH2-OE1 2.75Å; R185-E208 PolarHBondContact NH2-OE1 3.47Å; R185-E208 IonicContact NH2-OE2 2.77Å; L204-E208 HydrophobicContact CD1-CG 4.46Å; L204-E208 HydrophobicContact CG-CG 4.26Å; L204-E208 WeakPolarHBondContact O-CB 3.25Å; L204-E208 VanDerWaalsContact O-CG 3.32Å; L204-E208 WeakPolarHBondContact O-CG 3.22Å; L204-E208 PolarHBondContact O-N 3.35Å; E208-Q212 WeakPolarHBondContact O-CA 3.21Å; E208-Q212 PolarHBondContact O-N 2.87Å; E208-R213 VanDerWaalsContact CA-O 3.25Å; E208-R213 WeakPolarHBondContact CA-O 3.22Å; E208-R213 WeakPolarHBondContact CB-O 3.23Å; E208-R213 WeakPolarHBondContact CG-O 3.41Å; E208-R213 PolarHBondContact O-N 3.26Å; E208-Q214 PolarHBondContact OE1-OE1 3.15Å; E208-Q214 PolarHBondContact OE2-OE1 2.91Å; E208-A215 HydrophobicContact CG-CB 4.46Å; E208-A215 PolarHBondContact OE1-N 3.26Å
209T98.6Very high97.5Very high102 Ų10243.3 Ų43.363%0.62623%0.233SC*.Hα-helixtrans-65.9-47.9177.6-57.80000111.1Q205 A206 V207 Q212Q205-T209 WeakPolarHBondContact O-CB 3.13Å; Q205-T209 PolarHBondContact O-N 3.4Å; Q205-T209 PolarHBondContact O-OG1 3.47Å; A206-T209 PolarHBondContact O-N 3.25Å; V207-T209 VanDerWaalsContact C-N 3.29Å; V207-T209 PolarHBondContact O-N 3.08Å; T209-Q212 PolarHBondContact O-N 3.36Å
210A97.9Very high97.6Very high37 Ų3743.2 Ų43.231%0.30623%0.232SC..Hα-helixtrans-65.4-42.2179.800000112.1L166 M170 A206 V207 Q212L166-A210 HydrophobicContact CD1-CB 3.71Å; L166-A210 HydrophobicContact CG-CB 4.24Å; M170-A210 HydrophobicContact CB-CB 4.17Å; M170-A210 HydrophobicContact CG-CB 4.24Å; M170-A210 HydrophobicContact SD-CB 4.39Å; A206-A210 WeakPolarHBondContact O-CB 3.1Å; A206-A210 PolarHBondContact O-N 2.88Å; V207-A210 PolarHBondContact O-N 3.32Å; A210-Q212 VanDerWaalsContact C-N 3.31Å
211A97.4Very high97.5Very high17 Ų1745.3 Ų45.314%0.1425%0.245CC..Hα-helixtrans-78.6-14-179.800000113.6L173 V207 R213L173-A211 HydrophobicContact CB-CB 3.81Å; L173-A211 HydrophobicContact CD1-CB 3.58Å; L173-A211 HydrophobicContact CG-CB 4.34Å; V207-A211 WeakPolarHBondContact O-CB 3.47Å; V207-A211 PolarHBondContact O-N 2.91Å; A211-R213 HydrophobicContact CB-CB 4.25Å; A211-R213 WeakPolarHBondContact O-CG 3.36Å; A211-R213 PolarHBondContact O-N 3.2Å
212Q97.6Very high97.4Very high181 Ų18146.1 Ų46.185%0.84625%0.25SS*.THydrogen-bonded Turntrans50.535.4-170.4-57-173-46.600112.7E208 T209 A210E208-Q212 WeakPolarHBondContact O-CA 3.21Å; E208-Q212 PolarHBondContact O-N 2.87Å; T209-Q212 PolarHBondContact O-N 3.36Å; A210-Q212 VanDerWaalsContact C-N 3.31Å
213R97.5Very high97.3Very high69 Ų6950 Ų5026%0.2626%0.257SS..  trans-135.9146.1-177.4-72.7175.766.5-169.5-2.2108.4L173 Q175 K176 C178 F180 E208 A211L173-R213 WeakPolarHBondContact O-CD 3.3Å; L173-R213 PolarHBondContact O-NH1 3.01Å; Q175-R213 PolarHBondContact O-NH1 3.19Å; K176-R213 PolarHBondContact O-NH2 2.78Å; C178-R213 PolarHBondContact O-NH1 3.15Å; C178-R213 PolarHBondContact O-NH2 3.14Å; F180-R213 HydrophobicContact CD1-CB 4.1Å; F180-R213 HydrophobicContact CE1-CB 4.47Å; F180-R213 WeakPolarHBondContact CE1-O 3.38Å; E208-R213 VanDerWaalsContact CA-O 3.25Å; E208-R213 WeakPolarHBondContact CA-O 3.22Å; E208-R213 WeakPolarHBondContact CB-O 3.23Å; E208-R213 WeakPolarHBondContact CG-O 3.41Å; E208-R213 PolarHBondContact O-N 3.26Å; A211-R213 HydrophobicContact CB-CB 4.25Å; A211-R213 WeakPolarHBondContact O-CG 3.36Å; A211-R213 PolarHBondContact O-N 3.2Å
214Q97.8Very high97.1Very high131 Ų13150 Ų5061%0.61226%0.257SS*.PPolyproline II helixtrans-91.3140.2172.9-70-64.8-65.200109.6E208E208-Q214 PolarHBondContact OE1-OE1 3.15Å; E208-Q214 PolarHBondContact OE2-OE1 2.91Å
215A98Very high96.9Very high10 Ų1050 Ų508%0.08326%0.257CS..PPolyproline II helixtrans-85146.417500000111F180 L204 E208F180-A215 HydrophobicContact CD1-CB 3.82Å; F180-A215 HydrophobicContact CD2-CB 3.86Å; F180-A215 HydrophobicContact CE1-CB 3.82Å; F180-A215 HydrophobicContact CE2-CB 3.82Å; F180-A215 HydrophobicContact CG-CB 3.84Å; F180-A215 HydrophobicContact CZ-CB 3.81Å; F180-A215 WeakPolarHBondContact O-CA 3.44Å; L204-A215 HydrophobicContact CD1-CB 3.64Å; L204-A215 HydrophobicContact CD2-CB 4.49Å; L204-A215 HydrophobicContact CG-CB 4.43Å; E208-A215 HydrophobicContact CG-CB 4.46Å; E208-A215 PolarHBondContact OE1-N 3.26Å
216Q97.4Very high96.8Very high94 Ų9444.6 Ų44.644%0.43923%0.232SC..EExtended strand (participates in β ladder)trans-75.3124.3162.8177.358.547.100108.8Y96 F180 V181 G182Y96-Q216 HydrophobicContact CE1-CG 4.26Å; Y96-Q216 WeakPolarHBondContact OH-CG 3.34Å; F180-Q216 PolarHBondContact O-N 3.28Å; V181-Q216 CarbonylContact C-O 3.57Å; V181-Q216 VanDerWaalsContact CA-O 3.27Å; V181-Q216 WeakPolarHBondContact CA-O 3.4Å; V181-Q216 WeakPolarHBondContact CG1-O 3.43Å; G182-Q216 PolarHBondContact N-O 3.35Å
217T97Very high96.7Very high23 Ų2346.2 Ų46.214%0.14123%0.234CC..EExtended strand (participates in β ladder)trans-97.3141.3176.556.20000113G182 R185 L204 S222G182-T217 VanDerWaalsContact O-CA 3.25Å; G182-T217 WeakPolarHBondContact O-CA 3.47Å; R185-T217 HydrophobicContact CG-CG2 3.85Å; L204-T217 HydrophobicContact CD2-CG2 3.82Å; T217-S222 WeakPolarHBondContact O-CB 3.23Å; T217-S222 PolarHBondContact O-OG 2.93Å; T217-S222 VanDerWaalsContact O-OG 3.12Å
218V96.3Very high96.4Very high0 Ų047 Ų470%024%0.239CC..  trans-103.3-23.8-177.9-63.40000113.9C93 Y96 V181 G182 F224C93-V218 HydrophobicContact CB-CG2 3.92Å; Y96-V218 HydrophobicContact CD1-CG1 3.78Å; Y96-V218 HydrophobicContact CD2-CG1 4.1Å; Y96-V218 HydrophobicContact CE1-CG1 4.47Å; Y96-V218 HydrophobicContact CG-CG1 3.58Å; V181-V218 HydrophobicContact CG1-CG1 3.89Å; G182-V218 PolarHBondContact O-N 3.28Å; G182-V218 VanDerWaalsContact O-N 3.15Å; V218-F224 HydrophobicContact CB-CD1 4.01Å; V218-F224 HydrophobicContact CG1-CD1 4.22Å
219G95.1Very high96.2Very high0 Ų046.7 Ų46.70%024%0.237CC..SBendtrans-81170.8178.400000113.4N61 T183 S222N61-G219 WeakPolarHBondContact OD1-CA 3.35Å; T183-G219 WeakPolarHBondContact O-CA 3.45Å; T183-G219 PolarHBondContact O-N 2.93Å; G219-S222 WeakPolarHBondContact O-CA 3.45Å; G219-S222 WeakPolarHBondContact O-CB 3.42Å; G219-S222 PolarHBondContact O-N 2.75Å
220K96.1Very high96.1Very high3 Ų342.6 Ų42.61%0.01321%0.214CC..THydrogen-bonded Turntrans-52.8133178-55179.5-74.2-179.10109.5D27 V59 N61 M225 M242 D250 L253D27-K220 IonicContact OD1-NZ 3.88Å; D27-K220 PolarHBondContact OD1-NZ 3.06Å; V59-K220 PolarHBondContact O-NZ 2.78Å; N61-K220 PolarHBondContact ND2-O 3.33Å; N61-K220 PolarHBondContact OD1-N 2.86Å; K220-M225 HydrophobicContact CD-SD 3.81Å; K220-M225 HydrophobicContact CG-CE 4.33Å; K220-M225 HydrophobicContact CG-SD 3.46Å; K220-M225 WeakPolarHBondContact CG-SD 3.26Å; K220-M242 HydrophobicContact CD-CE 4.09Å; K220-D250 VanDerWaalsContact CD-OD1 3.31Å; K220-D250 WeakPolarHBondContact CD-OD1 3.35Å; K220-D250 VanDerWaalsContact CE-OD1 3.26Å; K220-D250 WeakPolarHBondContact CE-OD1 3.1Å; K220-D250 IonicContact NZ-OD1 3.61Å; K220-D250 PolarHBondContact NZ-OD1 2.88Å; K220-L253 HydrophobicContact CD-CD2 3.93Å; K220-L253 HydrophobicContact CG-CD2 3.74Å
221P94.8Very high95.8Very high49 Ų4947.5 Ų47.532%0.31823%0.231SC..THydrogen-bonded Turncis-88.512.512.336.1-38.4000116R223 L252P221-R223 PolarHBondContact O-N 2.98Å; P221-L252 HydrophobicContact CB-CB 3.95Å; P221-L252 HydrophobicContact CB-CD2 3.71Å; P221-L252 HydrophobicContact CB-CG 3.76Å; P221-L252 HydrophobicContact CG-CD2 3.86Å; P221-L252 HydrophobicContact CG-CG 4.45Å
222S94.7Very high95.6Very high24 Ų2453 Ų5317%0.16825%0.248CC..SBendtrans-60.1131.3178.1-173.70000111.8T217 G219 F224 M225 L253T217-S222 WeakPolarHBondContact O-CB 3.23Å; T217-S222 PolarHBondContact O-OG 2.93Å; T217-S222 VanDerWaalsContact O-OG 3.12Å; G219-S222 WeakPolarHBondContact O-CA 3.45Å; G219-S222 WeakPolarHBondContact O-CB 3.42Å; G219-S222 PolarHBondContact O-N 2.75Å; S222-F224 PolarHBondContact O-N 3.5Å; S222-F224 VanDerWaalsContact O-N 3.14Å; S222-M225 PolarHBondContact O-N 2.79Å; S222-L253 VanDerWaalsContact O-CD1 3.3Å; S222-L253 WeakPolarHBondContact O-CD1 3.12Å
223R95.3Very high95.5Very high131 Ų13146.7 Ų46.749%0.49422%0.218SC..THydrogen-bonded Turntrans-59.6-26.4178.7-55.6-178.194.5-165.310.7112.4P221 M225 F226 E227 A256 C257P221-R223 PolarHBondContact O-N 2.98Å; R223-M225 PolarHBondContact O-N 2.81Å; R223-M225 VanDerWaalsContact O-N 3.16Å; R223-F226 PolarHBondContact O-N 2.82Å; R223-E227 WeakPolarHBondContact O-CG 3.29Å; R223-E227 PolarHBondContact O-N 2.81Å; R223-A256 HydrophobicContact CG-CB 4.4Å; R223-A256 PolarHBondContact NE-O 3.41Å; R223-A256 PolarHBondContact NH2-O 3.09Å; R223-C257 VanDerWaalsContact CB-SG 3.54Å
224F94.6Very high95.4Very high16 Ų1646.5 Ų46.57%0.0724%0.238CC..Hα-helixtrans-53.6-38.6-177.2-175-98.7000113.1C92 Y96 E100 V218 S222 F226 E227 C228C92-F224 HydrophobicContact CB-CD1 4.42Å; C92-F224 HydrophobicContact CB-CE1 4.2Å; C92-F224 VanDerWaalsContact O-CE1 3.24Å; C92-F224 WeakPolarHBondContact O-CE1 3.35Å; Y96-F224 VanDerWaalsContact CA-CZ 3.43Å; Y96-F224 HydrophobicContact CD2-CD1 4.27Å; Y96-F224 AromaticContact CD2-CD2 3.87Å; Y96-F224 HydrophobicContact CD2-CD2 3.87Å; Y96-F224 HydrophobicContact CD2-CE1 4.16Å; Y96-F224 AromaticContact CD2-CE2 3.75Å; Y96-F224 HydrophobicContact CD2-CE2 3.75Å; Y96-F224 HydrophobicContact CD2-CG 4.13Å; Y96-F224 AromaticContact CD2-CZ 3.89Å; Y96-F224 HydrophobicContact CD2-CZ 3.89Å; Y96-F224 HydrophobicContact CG-CE1 4.29Å; Y96-F224 HydrophobicContact CG-CZ 4.23Å; E100-F224 HydrophobicContact CG-CD2 4.24Å; E100-F224 HydrophobicContact CG-CE2 3.45Å; E100-F224 VanDerWaalsContact CG-CE2 3.45Å; E100-F224 HydrophobicContact CG-CZ 4.19Å; V218-F224 HydrophobicContact CB-CD1 4.01Å; V218-F224 HydrophobicContact CG1-CD1 4.22Å; S222-F224 PolarHBondContact O-N 3.5Å; S222-F224 VanDerWaalsContact O-N 3.14Å; F224-F226 VanDerWaalsContact C-N 3.33Å; F224-F226 PolarHBondContact O-N 2.79Å; F224-E227 WeakPolarHBondContact CA-OE2 3.36Å; F224-E227 PolarHBondContact O-N 3.26Å; F224-C228 WeakPolarHBondContact CE1-SG 3.31Å; F224-C228 WeakPolarHBondContact CZ-SG 3.38Å; F224-C228 PolarHBondContact O-N 2.83Å; F224-C228 PolarHBondContact O-SG 3.49Å
225M94.8Very high95.4Very high0 Ų041.1 Ų41.10%021%0.213CC..Hα-helixtrans-61.2-42.1177.1-178.9174.3-78.800112V59 T60 T89 K220 S222 R223 C228 V229V59-M225 HydrophobicContact CB-CG 4.46Å; V59-M225 HydrophobicContact CB-SD 3.77Å; V59-M225 HydrophobicContact CG1-CG 4.25Å; V59-M225 HydrophobicContact CG1-SD 4.21Å; T60-M225 WeakPolarHBondContact O-CE 3.48Å; T89-M225 HydrophobicContact CG2-CE 3.52Å; K220-M225 HydrophobicContact CD-SD 3.81Å; K220-M225 HydrophobicContact CG-CE 4.33Å; K220-M225 HydrophobicContact CG-SD 3.46Å; K220-M225 WeakPolarHBondContact CG-SD 3.26Å; S222-M225 PolarHBondContact O-N 2.79Å; R223-M225 PolarHBondContact O-N 2.81Å; R223-M225 VanDerWaalsContact O-N 3.16Å; M225-C228 WeakPolarHBondContact O-CB 3.39Å; M225-V229 WeakPolarHBondContact O-CG2 3.34Å
226F96.7Very high95.4Very high9 Ų947.2 Ų47.24%0.03923%0.234CC..Hα-helixtrans-71.2-38.8175.6172.1-106.2000111.6L25 R223 F224 C228 V229 A230 L235 P237 C240 L253 C257 L259L25-F226 HydrophobicContact CD1-CD2 4.48Å; L25-F226 HydrophobicContact CD1-CE2 4.36Å; L25-F226 HydrophobicContact CD2-CD2 3.79Å; L25-F226 HydrophobicContact CD2-CE2 4.39Å; R223-F226 PolarHBondContact O-N 2.82Å; F224-F226 VanDerWaalsContact C-N 3.33Å; F224-F226 PolarHBondContact O-N 2.79Å; F226-C228 VanDerWaalsContact C-N 3.3Å; F226-C228 PolarHBondContact O-N 3.38Å; F226-V229 PolarHBondContact O-N 2.95Å; F226-A230 HydrophobicContact CD1-CB 4.43Å; F226-A230 HydrophobicContact CE1-CB 3.97Å; F226-A230 HydrophobicContact CE2-CB 4.37Å; F226-A230 HydrophobicContact CZ-CB 3.94Å; F226-A230 WeakPolarHBondContact O-CB 3.26Å; F226-A230 PolarHBondContact O-N 2.88Å; F226-L235 HydrophobicContact CE2-CD1 4.5Å; F226-P237 HydrophobicContact CE1-CB 4.12Å; F226-P237 HydrophobicContact CE1-CG 3.91Å; F226-P237 HydrophobicContact CZ-CB 4.09Å; F226-P237 HydrophobicContact CZ-CG 4.1Å; F226-C240 HydrophobicContact CE2-CB 4.31Å; F226-L253 HydrophobicContact CB-CD1 4.19Å; F226-C257 HydrophobicContact CB-CB 4.48Å; F226-C257 HydrophobicContact CD1-CB 3.69Å; F226-C257 HydrophobicContact CE1-CB 4.2Å; F226-C257 HydrophobicContact CG-CB 4.17Å; F226-L259 HydrophobicContact CD1-CD1 4.18Å; F226-L259 HydrophobicContact CD2-CD1 4.16Å; F226-L259 HydrophobicContact CD2-CD2 3.89Å; F226-L259 HydrophobicContact CE1-CD1 4.02Å; F226-L259 HydrophobicContact CE2-CD1 4.02Å; F226-L259 HydrophobicContact CE2-CD2 3.85Å; F226-L259 HydrophobicContact CE2-CG 4.19Å; F226-L259 HydrophobicContact CG-CD1 4.24Å; F226-L259 HydrophobicContact CZ-CD1 3.94Å; F226-L259 HydrophobicContact CZ-CG 4.4Å
227E94.9Very high95.4Very high67 Ų6744.9 Ų44.931%0.31323%0.227SC..Hα-helixtrans-59.1-40.2177.1-69.6165.2178.600111.7R223 F224 V229 A230 Q231R223-E227 WeakPolarHBondContact O-CG 3.29Å; R223-E227 PolarHBondContact O-N 2.81Å; F224-E227 WeakPolarHBondContact CA-OE2 3.36Å; F224-E227 PolarHBondContact O-N 3.26Å; E227-V229 VanDerWaalsContact C-N 3.3Å; E227-V229 PolarHBondContact O-N 2.99Å; E227-A230 PolarHBondContact O-N 3.1Å; E227-Q231 WeakPolarHBondContact O-CB 3.5Å; E227-Q231 VanDerWaalsContact O-CG 3.29Å; E227-Q231 WeakPolarHBondContact O-CG 3.13Å; E227-Q231 PolarHBondContact O-N 2.91Å
228C92.8Very high95.4Very high17 Ų1749.1 Ų49.112%0.11525%0.245CC..Hα-helixtrans-54.1-44.2171.6-78.10000112.8F87 F224 M225 F226 R232F87-C228 HydrophobicContact CD1-CB 4Å; F87-C228 HydrophobicContact CE1-CB 3.98Å; F224-C228 WeakPolarHBondContact CE1-SG 3.31Å; F224-C228 WeakPolarHBondContact CZ-SG 3.38Å; F224-C228 PolarHBondContact O-N 2.83Å; F224-C228 PolarHBondContact O-SG 3.49Å; M225-C228 WeakPolarHBondContact O-CB 3.39Å; F226-C228 VanDerWaalsContact C-N 3.3Å; F226-C228 PolarHBondContact O-N 3.38Å; C228-R232 WeakPolarHBondContact O-CB 3.21Å
229V95.4Very high95.5Very high0 Ų052.4 Ų52.40%026%0.257CS..Hα-helixtrans-71.3-47.7178.3-168.80000110L25 F57 V59 F87 M225 F226 E227 R232 F233 L235L25-V229 HydrophobicContact CD2-CB 4.5Å; L25-V229 HydrophobicContact CD2-CG2 4.17Å; F57-V229 HydrophobicContact CB-CG1 4.26Å; F57-V229 HydrophobicContact CD1-CG1 3.73Å; F57-V229 HydrophobicContact CD2-CG1 3.7Å; F57-V229 HydrophobicContact CE1-CG1 3.95Å; F57-V229 HydrophobicContact CE2-CG1 3.9Å; F57-V229 HydrophobicContact CG-CG1 3.6Å; F57-V229 HydrophobicContact CZ-CG1 4.01Å; V59-V229 HydrophobicContact CG1-CG2 4.28Å; F87-V229 HydrophobicContact CB-CG2 4.31Å; F87-V229 HydrophobicContact CD1-CG2 3.68Å; F87-V229 HydrophobicContact CD2-CG2 3.73Å; F87-V229 HydrophobicContact CE1-CB 4.3Å; F87-V229 HydrophobicContact CE1-CG2 3.8Å; F87-V229 HydrophobicContact CE2-CB 4.35Å; F87-V229 HydrophobicContact CE2-CG1 4.08Å; F87-V229 HydrophobicContact CE2-CG2 3.86Å; F87-V229 HydrophobicContact CG-CG2 3.63Å; F87-V229 HydrophobicContact CZ-CB 4.15Å; F87-V229 HydrophobicContact CZ-CG1 4.19Å; F87-V229 HydrophobicContact CZ-CG2 3.88Å; M225-V229 WeakPolarHBondContact O-CG2 3.34Å; F226-V229 PolarHBondContact O-N 2.95Å; E227-V229 VanDerWaalsContact C-N 3.3Å; E227-V229 PolarHBondContact O-N 2.99Å; V229-R232 PolarHBondContact O-N 2.88Å; V229-F233 HydrophobicContact CG1-CD2 4.12Å; V229-F233 WeakPolarHBondContact O-CD2 3.19Å; V229-F233 PolarHBondContact O-N 2.71Å; V229-L235 HydrophobicContact CB-CD1 4.36Å; V229-L235 HydrophobicContact CG1-CD1 3.58Å
230A95.8Very high95.6Very high17 Ų1752.4 Ų52.414%0.1426%0.258CS..Hα-helixtrans-65.1-44.5-172.500000112.6F226 E227 G234 L235F226-A230 HydrophobicContact CD1-CB 4.43Å; F226-A230 HydrophobicContact CE1-CB 3.97Å; F226-A230 HydrophobicContact CE2-CB 4.37Å; F226-A230 HydrophobicContact CZ-CB 3.94Å; F226-A230 WeakPolarHBondContact O-CB 3.26Å; F226-A230 PolarHBondContact O-N 2.88Å; E227-A230 PolarHBondContact O-N 3.1Å; A230-G234 VanDerWaalsContact O-CA 3.28Å; A230-G234 WeakPolarHBondContact O-CA 3.4Å; A230-G234 PolarHBondContact O-N 3.39Å; A230-L235 HydrophobicContact CB-CB 4.11Å; A230-L235 PolarHBondContact O-N 2.79Å; A230-L235 VanDerWaalsContact O-N 3.1Å
231Q92.1Very high95.8Very high140 Ų14052.3 Ų52.365%0.65426%0.257SS*.Hα-helixtrans-64.6-40.9177.7-70178.56.600111.5E227E227-Q231 WeakPolarHBondContact O-CB 3.5Å; E227-Q231 VanDerWaalsContact O-CG 3.29Å; E227-Q231 WeakPolarHBondContact O-CG 3.13Å; E227-Q231 PolarHBondContact O-N 2.91Å
232R92.7Very high95.9Very high131 Ų13150 Ų5049%0.49424%0.242SC..Hα-helixtrans-70.5-37.1-178.2-174.6171.7178.7136.80.7113C228 V229C228-R232 WeakPolarHBondContact O-CB 3.21Å; V229-R232 PolarHBondContact O-N 2.88Å
233F95.8Very high96.1Very high49 Ų4948.9 Ų48.922%0.21523%0.234CC..Hα-helixtrans-113.24.2-171.4-67.5-75.7000115K55 F57 D84 F87 V229 L235K55-F233 PolarHBondContact NZ-O 2.87Å; F57-F233 HydrophobicContact CD1-CD2 4.28Å; F57-F233 HydrophobicContact CD1-CE2 4.15Å; F57-F233 HydrophobicContact CE1-CB 4.46Å; F57-F233 HydrophobicContact CE1-CD1 4.19Å; F57-F233 AromaticContact CE1-CD2 3.37Å; F57-F233 HydrophobicContact CE1-CD2 3.37Å; F57-F233 HydrophobicContact CE1-CE1 4.26Å; F57-F233 AromaticContact CE1-CE2 3.44Å; F57-F233 HydrophobicContact CE1-CE2 3.44Å; F57-F233 VanDerWaalsContact CE1-CE2 3.44Å; F57-F233 AromaticContact CE1-CG 3.76Å; F57-F233 HydrophobicContact CE1-CG 3.76Å; F57-F233 AromaticContact CE1-CZ 3.9Å; F57-F233 HydrophobicContact CE1-CZ 3.9Å; F57-F233 HydrophobicContact CZ-CB 3.95Å; F57-F233 HydrophobicContact CZ-CD1 4.26Å; F57-F233 AromaticContact CZ-CD2 3.73Å; F57-F233 HydrophobicContact CZ-CD2 3.73Å; F57-F233 HydrophobicContact CZ-CE2 4.25Å; F57-F233 AromaticContact CZ-CG 3.72Å; F57-F233 HydrophobicContact CZ-CG 3.72Å; D84-F233 HydrophobicContact CB-CZ 4.27Å; D84-F233 WeakPolarHBondContact O-CE2 3.49Å; D84-F233 VanDerWaalsContact O-CZ 3.3Å; D84-F233 WeakPolarHBondContact O-CZ 3.37Å; F87-F233 AromaticContact CE2-CE2 3.87Å; F87-F233 HydrophobicContact CE2-CE2 3.87Å; F87-F233 HydrophobicContact CZ-CD2 4.21Å; F87-F233 AromaticContact CZ-CE2 3.7Å; F87-F233 HydrophobicContact CZ-CE2 3.7Å; V229-F233 HydrophobicContact CG1-CD2 4.12Å; V229-F233 WeakPolarHBondContact O-CD2 3.19Å; V229-F233 PolarHBondContact O-N 2.71Å; F233-L235 HydrophobicContact CB-CD2 3.8Å; F233-L235 HydrophobicContact CB-CG 4.07Å
234G95.9Very high96.3Very high66 Ų6642.6 Ų42.668%0.6821%0.211SC*.THydrogen-bonded Turntrans62.14618000000112.4A230A230-G234 VanDerWaalsContact O-CA 3.28Å; A230-G234 WeakPolarHBondContact O-CA 3.4Å; A230-G234 PolarHBondContact O-N 3.39Å
235L97.3Very high96.4Very high18 Ų1842.1 Ų42.19%0.09421%0.208CC..  trans-81.8143.1-175.6-53.5-169.6000112.1S23 K55 F57 F226 V229 A230 F233S23-L235 WeakPolarHBondContact OG-CD2 3.39Å; K55-L235 HydrophobicContact CD-CD2 3.97Å; F57-L235 HydrophobicContact CD2-CD1 4.13Å; F57-L235 HydrophobicContact CE2-CD1 3.6Å; F57-L235 HydrophobicContact CE2-CD2 4.07Å; F57-L235 HydrophobicContact CE2-CG 4.41Å; F57-L235 HydrophobicContact CZ-CD1 4.26Å; F57-L235 HydrophobicContact CZ-CD2 4.3Å; F226-L235 HydrophobicContact CE2-CD1 4.5Å; V229-L235 HydrophobicContact CB-CD1 4.36Å; V229-L235 HydrophobicContact CG1-CD1 3.58Å; A230-L235 HydrophobicContact CB-CB 4.11Å; A230-L235 PolarHBondContact O-N 2.79Å; A230-L235 VanDerWaalsContact O-N 3.1Å; F233-L235 HydrophobicContact CB-CD2 3.8Å; F233-L235 HydrophobicContact CB-CG 4.07Å
236R97.3Very high96.4Very high137 Ų13744 Ų4452%0.51722%0.216SC..  trans-98.9119.5171-66.3-179.5-64179.41109.3D22 E238 R239 C240D22-R236 IonicContact OD2-NH2 2.98Å; D22-R236 PolarHBondContact OD2-NH2 2.92Å; R236-E238 VanDerWaalsContact C-N 3.3Å; R236-E238 PolarHBondContact O-N 3.35Å; R236-R239 HydrophobicContact CB-CB 4.3Å; R236-R239 HydrophobicContact CB-CG 4.35Å; R236-R239 CarbonylContact O-C 3.59Å; R236-R239 PolarHBondContact O-N 3.32Å; R236-C240 PolarHBondContact O-N 2.74Å; R236-C240 PolarHBondContact O-SG 2.74Å
237P97.6Very high96.4Very high45 Ų4543.9 Ų43.929%0.29222%0.215SC..G310 helixtrans-55-41.6-174-22.429.3000114.1F226 R239 C240 C257 L259F226-P237 HydrophobicContact CE1-CB 4.12Å; F226-P237 HydrophobicContact CE1-CG 3.91Å; F226-P237 HydrophobicContact CZ-CB 4.09Å; F226-P237 HydrophobicContact CZ-CG 4.1Å; P237-R239 PolarHBondContact O-N 3.24Å; P237-R239 VanDerWaalsContact O-N 3.13Å; P237-C240 WeakPolarHBondContact O-CB 3.42Å; P237-C240 PolarHBondContact O-N 2.76Å; P237-C257 VanDerWaalsContact CB-O 3.26Å; P237-C257 WeakPolarHBondContact CB-O 3.31Å; P237-L259 HydrophobicContact CB-CD1 4.38Å
238E97.3Very high96.3Very high112 Ų11243.7 Ų43.752%0.52322%0.217SC..G310 helixtrans-66.8-16.3-178.868.5-80.1-17400114.1R236 K260R236-E238 VanDerWaalsContact C-N 3.3Å; R236-E238 PolarHBondContact O-N 3.35Å; E238-K260 PolarHBondContact O-NZ 2.71Å; E238-K260 VanDerWaalsContact O-NZ 3.09Å
239R98.1Very high96.4Very high69 Ų6943.2 Ų43.226%0.2621%0.213SC..G310 helixtrans-10414174.2-62.1-70.9-66.6171.62.9112.2D19 S20 V21 D22 S23 R236 P237D19-R239 PolarHBondContact O-NH1 3.19Å; D19-R239 PolarHBondContact O-NH2 3.45Å; S20-R239 PolarHBondContact O-NH1 3.17Å; V21-R239 CarbonylContact C-O 3.54Å; V21-R239 VanDerWaalsContact CA-O 3.27Å; V21-R239 WeakPolarHBondContact CA-O 3.24Å; V21-R239 VanDerWaalsContact CB-O 3.31Å; V21-R239 WeakPolarHBondContact CB-O 3.31Å; D22-R239 HydrophobicContact CB-CB 4.29Å; D22-R239 VanDerWaalsContact CG-NE 3.32Å; D22-R239 PolarHBondContact N-O 2.85Å; D22-R239 IonicContact OD1-CZ 3.42Å; D22-R239 IonicContact OD1-NE 3.39Å; D22-R239 PolarHBondContact OD1-NE 2.75Å; D22-R239 IonicContact OD1-NH2 2.68Å; D22-R239 PolarHBondContact OD1-NH2 2.86Å; D22-R239 WeakPolarHBondContact OD2-CB 3.5Å; D22-R239 WeakPolarHBondContact OD2-CG 3.49Å; D22-R239 IonicContact OD2-CZ 3.68Å; D22-R239 IonicContact OD2-NE 2.85Å; D22-R239 PolarHBondContact OD2-NE 3.29Å; D22-R239 IonicContact OD2-NH2 3.68Å; S23-R239 PolarHBondContact N-O 3.22Å; R236-R239 HydrophobicContact CB-CB 4.3Å; R236-R239 HydrophobicContact CB-CG 4.35Å; R236-R239 CarbonylContact O-C 3.59Å; R236-R239 PolarHBondContact O-N 3.32Å; P237-R239 PolarHBondContact O-N 3.24Å; P237-R239 VanDerWaalsContact O-N 3.13Å
240C98.6Very high96.5Very high1 Ų143.3 Ų43.31%0.00721%0.213CC..EExtended strand (participates in β ladder)trans-110.2148.6176.9-65.70000111.2S23 L25 F226 R236 P237 L259 K260S23-C240 CarbonylContact O-C 3.59Å; S23-C240 WeakPolarHBondContact O-CA 3.26Å; L25-C240 HydrophobicContact CD1-CB 4.05Å; F226-C240 HydrophobicContact CE2-CB 4.31Å; R236-C240 PolarHBondContact O-N 2.74Å; R236-C240 PolarHBondContact O-SG 2.74Å; P237-C240 WeakPolarHBondContact O-CB 3.42Å; P237-C240 PolarHBondContact O-N 2.76Å; C240-L259 HydrophobicContact CB-CB 4.47Å; C240-L259 HydrophobicContact CB-CD2 3.8Å; C240-L259 HydrophobicContact CB-CG 3.72Å; C240-K260 PolarHBondContact O-N 3.23Å
241L98.7Very high96.6Very high1 Ų142.5 Ų42.51%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-118.5125.3172.4177.562.2000109.1L17 V21 S23 V24 L25 V243 K260 L262L17-L241 HydrophobicContact CD1-CD1 4.37Å; L17-L241 HydrophobicContact CD2-CD1 4.37Å; L17-L241 HydrophobicContact CD2-CD2 4.24Å; L17-L241 HydrophobicContact CG-CD2 4.49Å; V21-L241 HydrophobicContact CB-CB 4.48Å; V21-L241 HydrophobicContact CG1-CB 4.17Å; V21-L241 HydrophobicContact CG2-CB 4.25Å; S23-L241 PolarHBondContact O-N 3.46Å; V24-L241 WeakPolarHBondContact CA-O 3.39Å; V24-L241 HydrophobicContact CG1-CB 4.22Å; V24-L241 HydrophobicContact CG1-CD2 4.13Å; V24-L241 HydrophobicContact CG1-CG 4.27Å; V24-L241 HydrophobicContact CG2-CB 4.44Å; L25-L241 PolarHBondContact N-O 3.42Å; L241-V243 HydrophobicContact CD2-CG2 3.95Å; L241-V243 HydrophobicContact CG-CG2 3.88Å; L241-K260 CarbonylContact C-O 3.48Å; L241-K260 WeakPolarHBondContact CA-O 3.43Å; L241-K260 HydrophobicContact CD1-CB 3.84Å; L241-K260 WeakPolarHBondContact CD1-O 3.5Å; L241-L262 HydrophobicContact CD1-CB 3.93Å; L241-L262 HydrophobicContact CD2-CD2 4.48Å
242M98.6Very high96.8Very high0 Ų037.5 Ų37.50%018%0.184CC..EExtended strand (participates in β ladder)trans-94.7121.4167.4-177.959.9-160.800109.4L25 D27 V59 K220 D250 L253 L259 K260 T261 L262L25-M242 HydrophobicContact CB-SD 3.84Å; D27-M242 HydrophobicContact CB-CE 4.2Å; V59-M242 HydrophobicContact CG2-CE 3.75Å; V59-M242 HydrophobicContact CG2-SD 3.9Å; K220-M242 HydrophobicContact CD-CE 4.09Å; M242-D250 HydrophobicContact CE-CB 3.57Å; M242-D250 WeakPolarHBondContact CE-OD1 3.33Å; M242-D250 HydrophobicContact CG-CB 4.43Å; M242-D250 WeakPolarHBondContact CG-O 3.45Å; M242-L253 HydrophobicContact SD-CD2 4.3Å; M242-L259 HydrophobicContact CB-CD2 4.01Å; M242-K260 PolarHBondContact N-O 2.68Å; M242-T261 WeakPolarHBondContact O-CA 3.37Å; M242-L262 PolarHBondContact O-N 2.75Å
243V98.8Very high97Very high0 Ų031.2 Ų31.20%016%0.161CC..EExtended strand (participates in β ladder)trans-110.4120.5176.7-1710000108.6V24 L25 F26 D27 V31 L241 L262 I297V24-V243 HydrophobicContact CG1-CG2 3.62Å; L25-V243 PolarHBondContact O-N 2.93Å; F26-V243 HydrophobicContact CD1-CB 3.6Å; F26-V243 HydrophobicContact CD1-CG1 3.81Å; F26-V243 HydrophobicContact CD1-CG2 3.97Å; F26-V243 HydrophobicContact CE1-CB 3.84Å; F26-V243 HydrophobicContact CE1-CG1 3.89Å; F26-V243 HydrophobicContact CE1-CG2 3.74Å; F26-V243 HydrophobicContact CG-CB 4.34Å; F26-V243 HydrophobicContact CZ-CG2 4.26Å; D27-V243 PolarHBondContact N-O 3.45Å; V31-V243 HydrophobicContact CG1-CG1 4.02Å; L241-V243 HydrophobicContact CD2-CG2 3.95Å; L241-V243 HydrophobicContact CG-CG2 3.88Å; V243-L262 WeakPolarHBondContact CA-O 3.47Å; V243-L262 HydrophobicContact CG1-CD2 4.25Å; V243-L262 HydrophobicContact CG1-CG 4.37Å; V243-L262 HydrophobicContact CG2-CB 4.28Å; V243-L262 HydrophobicContact CG2-CD2 4.23Å; V243-I297 HydrophobicContact CG1-CG2 3.63Å
244G98.1Very high97.1Very high0 Ų028.9 Ų28.90%015%0.151CC..EExtended strand (participates in β ladder)trans-149.5165.9-172.400000113D250 L262 L263 T264G244-D250 WeakPolarHBondContact CA-OD2 3.31Å; G244-L262 PolarHBondContact N-O 2.77Å; G244-L262 VanDerWaalsContact N-O 3.08Å; G244-L263 CarbonylContact O-C 3.57Å; G244-L263 WeakPolarHBondContact O-CA 3.36Å; G244-T264 PolarHBondContact O-N 2.89Å
245D96.4Very high97.1Very high5 Ų528 Ų283%0.02713%0.133CC..SBendtrans-107-6.7176.176.8-45.6000112.8V31 D250 T264 G267 V268 S269V31-D245 HydrophobicContact CG2-CB 3.93Å; D245-D250 PolarHBondContact N-OD2 3.21Å; D245-T264 HydrophobicContact CB-CG2 4.16Å; D245-G267 WeakPolarHBondContact OD2-CA 3.37Å; D245-V268 WeakPolarHBondContact OD2-CG2 3.32Å; D245-V268 PolarHBondContact OD2-N 3.39Å; D245-S269 VanDerWaalsContact O-CB 3.23Å; D245-S269 WeakPolarHBondContact O-CB 3.49Å; D245-S269 PolarHBondContact O-N 3.46Å
246R95.3Very high97Very high41 Ų4129.1 Ų29.116%0.15515%0.146CC..  trans-121.7129-176.4-78.6-173.675.8-175.7-3.5114D186 D248 T249 D250 I251 V268D186-R246 IonicContact OD1-CZ 2.63Å; D186-R246 IonicContact OD1-NH1 2.84Å; D186-R246 PolarHBondContact OD1-NH1 3.36Å; D186-R246 IonicContact OD1-NH2 3.14Å; R246-D248 IonicContact CZ-OD1 3.99Å; R246-D248 IonicContact CZ-OD2 3.59Å; R246-D248 IonicContact NE-OD1 3.58Å; R246-D248 PolarHBondContact NE-OD1 3.12Å; R246-D248 VanDerWaalsContact NE-OD1 3.11Å; R246-D248 IonicContact NH2-OD1 3.11Å; R246-D248 PolarHBondContact NH2-OD1 2.9Å; R246-D248 IonicContact NH2-OD2 2.93Å; R246-D248 PolarHBondContact NH2-OD2 3.18Å; R246-T249 WeakPolarHBondContact CB-OG1 3.44Å; R246-D250 PolarHBondContact N-OD2 2.64Å; R246-D250 VanDerWaalsContact N-OD2 3.17Å; R246-D250 WeakPolarHBondContact O-CB 3.42Å; R246-D250 PolarHBondContact O-N 2.8Å; R246-I251 PolarHBondContact O-N 3.14Å; R246-V268 HydrophobicContact CG-CB 3.59Å; R246-V268 HydrophobicContact CG-CG1 4.04Å; R246-V268 HydrophobicContact CG-CG2 3.99Å
247L96.2Very high97Very high5 Ų523.1 Ų23.13%0.02613%0.125CC..Iπ-helixtrans-67.4-41.8179.4-60.6-175.5000112.8T249 I251 L252 L263 S269 E273 A274 M288 P290L247-T249 VanDerWaalsContact C-N 3.35Å; L247-I251 HydrophobicContact CD2-CB 4.4Å; L247-I251 HydrophobicContact CD2-CG1 3.85Å; L247-L252 WeakPolarHBondContact O-CB 3.48Å; L247-L252 PolarHBondContact O-N 3.29Å; L247-L252 VanDerWaalsContact O-N 3.07Å; L247-L263 HydrophobicContact CD2-CD1 4.07Å; L247-L263 HydrophobicContact CD2-CD2 3.88Å; L247-S269 PolarHBondContact N-OG 2.8Å; L247-E273 HydrophobicContact CD1-CB 4.14Å; L247-A274 HydrophobicContact CD1-CB 4.12Å; L247-A274 HydrophobicContact CD2-CB 4.17Å; L247-M288 HydrophobicContact CB-CB 4.17Å; L247-M288 WeakPolarHBondContact CD2-O 3.45Å; L247-P290 HydrophobicContact CD2-CG 4.44Å
248D94.4Very high96.9Very high64 Ų6423.2 Ų23.234%0.34213%0.134SC..Iπ-helixtrans-80.4-13.4-173.162.1-24.3000114R246 M288R246-D248 IonicContact CZ-OD1 3.99Å; R246-D248 IonicContact CZ-OD2 3.59Å; R246-D248 IonicContact NE-OD1 3.58Å; R246-D248 PolarHBondContact NE-OD1 3.12Å; R246-D248 VanDerWaalsContact NE-OD1 3.11Å; R246-D248 IonicContact NH2-OD1 3.11Å; R246-D248 PolarHBondContact NH2-OD1 2.9Å; R246-D248 IonicContact NH2-OD2 2.93Å; R246-D248 PolarHBondContact NH2-OD2 3.18Å; D248-M288 HydrophobicContact CB-CE 4.34Å; D248-M288 HydrophobicContact CB-SD 4.38Å
249T94Very high97Very high7 Ų718.3 Ų18.34%0.04311%0.111CC..Iπ-helixtrans-116.2-64177.354.90000112.2R246 L247 L253R246-T249 WeakPolarHBondContact CB-OG1 3.44Å; L247-T249 VanDerWaalsContact C-N 3.35Å; T249-L253 WeakPolarHBondContact O-CB 3.27Å; T249-L253 PolarHBondContact O-N 3.4Å
250D97.4Very high97Very high1 Ų117.5 Ų17.51%0.00511%0.11CC..Iπ-helixtrans-78.9-50-168.4-56.2-48.7000111.9K220 M242 G244 D245 R246 L252 L253 G254K220-D250 VanDerWaalsContact CD-OD1 3.31Å; K220-D250 WeakPolarHBondContact CD-OD1 3.35Å; K220-D250 VanDerWaalsContact CE-OD1 3.26Å; K220-D250 WeakPolarHBondContact CE-OD1 3.1Å; K220-D250 IonicContact NZ-OD1 3.61Å; K220-D250 PolarHBondContact NZ-OD1 2.88Å; M242-D250 HydrophobicContact CE-CB 3.57Å; M242-D250 WeakPolarHBondContact CE-OD1 3.33Å; M242-D250 HydrophobicContact CG-CB 4.43Å; M242-D250 WeakPolarHBondContact CG-O 3.45Å; G244-D250 WeakPolarHBondContact CA-OD2 3.31Å; D245-D250 PolarHBondContact N-OD2 3.21Å; R246-D250 PolarHBondContact N-OD2 2.64Å; R246-D250 VanDerWaalsContact N-OD2 3.17Å; R246-D250 WeakPolarHBondContact O-CB 3.42Å; R246-D250 PolarHBondContact O-N 2.8Å; D250-L252 VanDerWaalsContact C-N 3.34Å; D250-L253 WeakPolarHBondContact O-CB 3.3Å; D250-L253 PolarHBondContact O-N 3.1Å; D250-G254 PolarHBondContact O-N 3.37Å
251I97.7Very high96.9Very high0 Ų017.5 Ų17.50%011%0.109CC..Iπ-helixtrans-66.9-43179.8-54.5-49.7000109.5R246 L247 L253 G254 S255 T261 L263 M288 P290R246-I251 PolarHBondContact O-N 3.14Å; L247-I251 HydrophobicContact CD2-CB 4.4Å; L247-I251 HydrophobicContact CD2-CG1 3.85Å; I251-L253 PolarHBondContact O-N 3.4Å; I251-G254 PolarHBondContact O-N 3.46Å; I251-S255 WeakPolarHBondContact O-CB 3.4Å; I251-S255 PolarHBondContact O-N 3.09Å; I251-S255 PolarHBondContact O-OG 2.87Å; I251-T261 HydrophobicContact CG2-CG2 4.25Å; I251-L263 HydrophobicContact CD1-CB 4.13Å; I251-L263 HydrophobicContact CG1-CD1 4.38Å; I251-M288 WeakPolarHBondContact CG2-O 3.49Å; I251-P290 HydrophobicContact CD1-CB 3.97Å; I251-P290 HydrophobicContact CG1-CB 4.18Å; I251-P290 HydrophobicContact CG2-CB 3.91Å
252L96.8Very high96.9Very high35 Ų3517.4 Ų17.418%0.18311%0.109CC..Hα-helixtrans-61.5-40.7174.7-174.558000112.5P221 L247 D250 A256 A287 M288P221-L252 HydrophobicContact CB-CB 3.95Å; P221-L252 HydrophobicContact CB-CD2 3.71Å; P221-L252 HydrophobicContact CB-CG 3.76Å; P221-L252 HydrophobicContact CG-CD2 3.86Å; P221-L252 HydrophobicContact CG-CG 4.45Å; L247-L252 WeakPolarHBondContact O-CB 3.48Å; L247-L252 PolarHBondContact O-N 3.29Å; L247-L252 VanDerWaalsContact O-N 3.07Å; D250-L252 VanDerWaalsContact C-N 3.34Å; L252-A256 WeakPolarHBondContact O-CB 3.47Å; L252-A256 PolarHBondContact O-N 2.81Å; L252-A287 HydrophobicContact CD1-CB 3.86Å; L252-M288 HydrophobicContact CB-CG 4.23Å; L252-M288 HydrophobicContact CD1-CG 4.2Å; L252-M288 HydrophobicContact CD2-CE 3.89Å; L252-M288 HydrophobicContact CD2-CG 4.38Å
253L97.3Very high96.9Very high0 Ų017.4 Ų17.40%011%0.109CC..Hα-helixtrans-57.9-52.5171.9170.867.4000110.5K220 S222 F226 M242 T249 D250 I251 S255 A256 C257K220-L253 HydrophobicContact CD-CD2 3.93Å; K220-L253 HydrophobicContact CG-CD2 3.74Å; S222-L253 VanDerWaalsContact O-CD1 3.3Å; S222-L253 WeakPolarHBondContact O-CD1 3.12Å; F226-L253 HydrophobicContact CB-CD1 4.19Å; M242-L253 HydrophobicContact SD-CD2 4.3Å; T249-L253 WeakPolarHBondContact O-CB 3.27Å; T249-L253 PolarHBondContact O-N 3.4Å; D250-L253 WeakPolarHBondContact O-CB 3.3Å; D250-L253 PolarHBondContact O-N 3.1Å; I251-L253 PolarHBondContact O-N 3.4Å; L253-S255 PolarHBondContact O-N 3.2Å; L253-A256 PolarHBondContact O-N 2.69Å; L253-C257 WeakPolarHBondContact O-CB 3.44Å; L253-C257 PolarHBondContact O-N 3.3Å
254G97.5Very high96.9Very high0 Ų017.4 Ų17.40%011%0.109CC..Hα-helixtrans-57.8-50.5-177.200000111.6D250 I251 A256 C257 G258 L259D250-G254 PolarHBondContact O-N 3.37Å; I251-G254 PolarHBondContact O-N 3.46Å; G254-A256 PolarHBondContact O-N 2.99Å; G254-C257 CarbonylContact O-C 3.54Å; G254-C257 PolarHBondContact O-N 3.4Å; G254-G258 PolarHBondContact O-N 3.5Å; G254-L259 PolarHBondContact O-N 2.84Å
255S95.6Very high96.8Very high46 Ų4619.4 Ų19.432%0.32212%0.119SC..Hα-helixtrans-58.6-47.6175.5-65.70000112.5I251 L253 C257 G258 A287I251-S255 WeakPolarHBondContact O-CB 3.4Å; I251-S255 PolarHBondContact O-N 3.09Å; I251-S255 PolarHBondContact O-OG 2.87Å; L253-S255 PolarHBondContact O-N 3.2Å; S255-C257 VanDerWaalsContact C-N 3.26Å; S255-C257 PolarHBondContact O-N 2.96Å; S255-G258 PolarHBondContact O-N 3.41Å; S255-G258 VanDerWaalsContact O-N 3.13Å; S255-A287 WeakPolarHBondContact CB-O 3.47Å; S255-A287 PolarHBondContact OG-O 3.34Å
256A95.5Very high96.8Very high43 Ų4319.8 Ų19.836%0.35512%0.122SC..Hα-helixtrans-64.4-31.3-178.800000112.6R223 L252 L253 G254R223-A256 HydrophobicContact CG-CB 4.4Å; R223-A256 PolarHBondContact NE-O 3.41Å; R223-A256 PolarHBondContact NH2-O 3.09Å; L252-A256 WeakPolarHBondContact O-CB 3.47Å; L252-A256 PolarHBondContact O-N 2.81Å; L253-A256 PolarHBondContact O-N 2.69Å; G254-A256 PolarHBondContact O-N 2.99Å
257C96.9Very high96.5Very high11 Ų1119.5 Ų19.57%0.07413%0.132CC..Hα-helixtrans-91.5-3.1177.4-71.90000113.5R223 F226 P237 L253 G254 S255 L259R223-C257 VanDerWaalsContact CB-SG 3.54Å; F226-C257 HydrophobicContact CB-CB 4.48Å; F226-C257 HydrophobicContact CD1-CB 3.69Å; F226-C257 HydrophobicContact CE1-CB 4.2Å; F226-C257 HydrophobicContact CG-CB 4.17Å; P237-C257 VanDerWaalsContact CB-O 3.26Å; P237-C257 WeakPolarHBondContact CB-O 3.31Å; L253-C257 WeakPolarHBondContact O-CB 3.44Å; L253-C257 PolarHBondContact O-N 3.3Å; G254-C257 CarbonylContact O-C 3.54Å; G254-C257 PolarHBondContact O-N 3.4Å; S255-C257 VanDerWaalsContact C-N 3.26Å; S255-C257 PolarHBondContact O-N 2.96Å; C257-L259 HydrophobicContact CB-CD1 3.1Å
258G96.4Very high96.3Very high47 Ų4722.9 Ų22.949%0.48515%0.152SC..THydrogen-bonded Turntrans74.924.5-179.900000114G254 S255G254-G258 PolarHBondContact O-N 3.5Å; S255-G258 PolarHBondContact O-N 3.41Å; S255-G258 VanDerWaalsContact O-N 3.13Å
259L98.1Very high96.2Very high9 Ų920.4 Ų20.45%0.04714%0.14CC..  trans-81.3158.2172.2-67.868.4000109.4L25 F226 P237 C240 M242 G254 C257L25-L259 HydrophobicContact CD1-CD2 3.92Å; F226-L259 HydrophobicContact CD1-CD1 4.18Å; F226-L259 HydrophobicContact CD2-CD1 4.16Å; F226-L259 HydrophobicContact CD2-CD2 3.89Å; F226-L259 HydrophobicContact CE1-CD1 4.02Å; F226-L259 HydrophobicContact CE2-CD1 4.02Å; F226-L259 HydrophobicContact CE2-CD2 3.85Å; F226-L259 HydrophobicContact CE2-CG 4.19Å; F226-L259 HydrophobicContact CG-CD1 4.24Å; F226-L259 HydrophobicContact CZ-CD1 3.94Å; F226-L259 HydrophobicContact CZ-CG 4.4Å; P237-L259 HydrophobicContact CB-CD1 4.38Å; C240-L259 HydrophobicContact CB-CB 4.47Å; C240-L259 HydrophobicContact CB-CD2 3.8Å; C240-L259 HydrophobicContact CB-CG 3.72Å; M242-L259 HydrophobicContact CB-CD2 4.01Å; G254-L259 PolarHBondContact O-N 2.84Å; C257-L259 HydrophobicContact CB-CD1 3.1Å
260K98Very high96.3Very high52 Ų5223.1 Ų23.123%0.22616%0.157CC..EExtended strand (participates in β ladder)trans-68.7151.1159.7-59.2-168.2-174.783.50109.2L17 S20 V21 E238 C240 L241 M242 D291L17-K260 HydrophobicContact CD1-CB 4.21Å; L17-K260 HydrophobicContact CD1-CD 3.45Å; L17-K260 VanDerWaalsContact CD1-CD 3.45Å; L17-K260 HydrophobicContact CD1-CG 4.47Å; S20-K260 PolarHBondContact O-NZ 3.04Å; S20-K260 WeakPolarHBondContact OG-CD 3.31Å; S20-K260 WeakPolarHBondContact OG-CE 3.33Å; S20-K260 PolarHBondContact OG-NZ 3.18Å; V21-K260 HydrophobicContact CG1-CD 3.97Å; V21-K260 HydrophobicContact CG1-CG 4.45Å; E238-K260 PolarHBondContact O-NZ 2.71Å; E238-K260 VanDerWaalsContact O-NZ 3.09Å; C240-K260 PolarHBondContact O-N 3.23Å; L241-K260 CarbonylContact C-O 3.48Å; L241-K260 WeakPolarHBondContact CA-O 3.43Å; L241-K260 HydrophobicContact CD1-CB 3.84Å; L241-K260 WeakPolarHBondContact CD1-O 3.5Å; M242-K260 PolarHBondContact N-O 2.68Å; K260-D291 WeakPolarHBondContact CA-OD2 3.25Å
261T98.4Very high96.2Very high0 Ų024.3 Ų24.30%017%0.167CC..EExtended strand (participates in β ladder)trans-127.1135.4-175.851.90000112.2M242 I251 P290 D291 Y292M242-T261 WeakPolarHBondContact O-CA 3.37Å; I251-T261 HydrophobicContact CG2-CG2 4.25Å; T261-P290 WeakPolarHBondContact OG1-CA 3.48Å; T261-D291 PolarHBondContact N-OD2 3.08Å; T261-D291 WeakPolarHBondContact O-CB 3.49Å; T261-D291 PolarHBondContact O-N 3.19Å; T261-D291 PolarHBondContact OG1-N 3.14Å; T261-D291 PolarHBondContact OG1-OD2 3.45Å; T261-D291 VanDerWaalsContact OG1-OD2 3.06Å; T261-Y292 PolarHBondContact O-N 3.07Å
262L98.5Very high96.1Very high0 Ų027.9 Ų27.90%020%0.196CC..EExtended strand (participates in β ladder)trans-130112.8176176.663.6000109.6L9 L241 M242 V243 G244 Y292 V294 L300L9-L262 HydrophobicContact CB-CD1 4.45Å; L9-L262 HydrophobicContact CD2-CD1 4.06Å; L9-L262 HydrophobicContact CD2-CD2 4.43Å; L241-L262 HydrophobicContact CD1-CB 3.93Å; L241-L262 HydrophobicContact CD2-CD2 4.48Å; M242-L262 PolarHBondContact O-N 2.75Å; V243-L262 WeakPolarHBondContact CA-O 3.47Å; V243-L262 HydrophobicContact CG1-CD2 4.25Å; V243-L262 HydrophobicContact CG1-CG 4.37Å; V243-L262 HydrophobicContact CG2-CB 4.28Å; V243-L262 HydrophobicContact CG2-CD2 4.23Å; G244-L262 PolarHBondContact N-O 2.77Å; G244-L262 VanDerWaalsContact N-O 3.08Å; L262-Y292 WeakPolarHBondContact CA-O 3.35Å; L262-V294 HydrophobicContact CD1-CG1 4.02Å; L262-V294 HydrophobicContact CD1-CG2 4.04Å; L262-V294 HydrophobicContact CD2-CG2 4.33Å; L262-V294 HydrophobicContact CG-CG2 4.23Å; L262-L300 HydrophobicContact CD2-CD1 4.24Å; L262-L300 HydrophobicContact CD2-CD2 4.26Å
263L98.6Very high96Very high0 Ų030.5 Ų30.50%021%0.207CC..EExtended strand (participates in β ladder)trans-81.7129.6172.5177.969.2000110.3G244 L247 I251 L265 A274 P290 Y292 Y293 V294G244-L263 CarbonylContact O-C 3.57Å; G244-L263 WeakPolarHBondContact O-CA 3.36Å; L247-L263 HydrophobicContact CD2-CD1 4.07Å; L247-L263 HydrophobicContact CD2-CD2 3.88Å; I251-L263 HydrophobicContact CD1-CB 4.13Å; I251-L263 HydrophobicContact CG1-CD1 4.38Å; L263-L265 HydrophobicContact CD2-CD2 3.9Å; L263-L265 HydrophobicContact CG-CD2 4.2Å; L263-A274 HydrophobicContact CD2-CB 4.12Å; L263-P290 HydrophobicContact CB-CB 3.89Å; L263-P290 HydrophobicContact CB-CG 3.88Å; L263-P290 HydrophobicContact CD2-CG 4.23Å; L263-Y292 PolarHBondContact N-O 2.99Å; L263-Y293 CarbonylContact O-C 3.16Å; L263-Y293 WeakPolarHBondContact O-CA 3.27Å; L263-V294 PolarHBondContact O-N 3.23Å
264T98.1Very high95.9Very high0 Ų030.5 Ų30.50%021%0.207CC..EExtended strand (participates in β ladder)trans-101.6140.5165.3-177.40000110.3V31 G244 D245 T266 V294 S296 I297V31-T264 HydrophobicContact CB-CG2 4.09Å; V31-T264 HydrophobicContact CG1-CG2 4Å; V31-T264 HydrophobicContact CG2-CG2 3.7Å; G244-T264 PolarHBondContact O-N 2.89Å; D245-T264 HydrophobicContact CB-CG2 4.16Å; T264-T266 VanDerWaalsContact CG2-OG1 3.31Å; T264-T266 WeakPolarHBondContact CG2-OG1 3.2Å; T264-T266 PolarHBondContact O-N 2.8Å; T264-T266 PolarHBondContact OG1-OG1 3.04Å; T264-V294 WeakPolarHBondContact CA-O 3.5Å; T264-S296 WeakPolarHBondContact OG1-CA 3.44Å; T264-I297 HydrophobicContact CG2-CG2 4.49Å
265L96.8Very high95.8Very high41 Ų4131.7 Ų31.722%0.21522%0.217CC..THydrogen-bonded Turntrans-90.114-178.6-56.1-178.2000112.8L263 G267 A271 Y293 V294 E295L263-L265 HydrophobicContact CD2-CD2 3.9Å; L263-L265 HydrophobicContact CG-CD2 4.2Å; L265-G267 VanDerWaalsContact C-N 3.3Å; L265-G267 PolarHBondContact O-N 3.38Å; L265-A271 HydrophobicContact CD1-CB 4Å; L265-A271 HydrophobicContact CD2-CB 4.2Å; L265-Y293 HydrophobicContact CD1-CD2 3.94Å; L265-Y293 HydrophobicContact CD1-CE2 4.27Å; L265-Y293 HydrophobicContact CG-CD2 4.38Å; L265-V294 WeakPolarHBondContact CG-O 3.42Å; L265-V294 PolarHBondContact N-O 3.1Å; L265-E295 CarbonylContact C-O 3.58Å; L265-E295 PolarHBondContact N-O 3.17Å
266T94.6Very high95.8Very high13 Ų1332.1 Ų32.18%0.0822%0.224CC..THydrogen-bonded Turntrans-80-5.1177.243.60000114.2G30 R34 I39 T264 E295G30-T266 CarbonylContact O-C 3.57Å; G30-T266 VanDerWaalsContact O-C 3.25Å; G30-T266 VanDerWaalsContact O-CB 3.22Å; G30-T266 WeakPolarHBondContact O-CB 3.48Å; G30-T266 PolarHBondContact O-OG1 3.3Å; R34-T266 PolarHBondContact NE-O 3.06Å; R34-T266 PolarHBondContact NH2-O 2.83Å; I39-T266 HydrophobicContact CD1-CG2 4.16Å; I39-T266 HydrophobicContact CG2-CG2 4.26Å; T264-T266 VanDerWaalsContact CG2-OG1 3.31Å; T264-T266 WeakPolarHBondContact CG2-OG1 3.2Å; T264-T266 PolarHBondContact O-N 2.8Å; T264-T266 PolarHBondContact OG1-OG1 3.04Å; T266-E295 WeakPolarHBondContact CG2-O 3.35Å; T266-E295 PolarHBondContact N-O 3.27Å
267G90.6Very high95.7Very high35 Ų3531.9 Ų31.936%0.36122%0.215SC..SBendtrans-127-125.1-175.300000113.4G30 D245 L265G30-G267 PolarHBondContact O-N 2.97Å; D245-G267 WeakPolarHBondContact OD2-CA 3.37Å; L265-G267 VanDerWaalsContact C-N 3.3Å; L265-G267 PolarHBondContact O-N 3.38Å
268V90.4Very high95.6Very high76 Ų7635.8 Ų35.846%0.46123%0.229SC..SBendtrans-85.1-51.6-166.3174.30000113.4D245 R246D245-V268 WeakPolarHBondContact OD2-CG2 3.32Å; D245-V268 PolarHBondContact OD2-N 3.39Å; R246-V268 HydrophobicContact CG-CB 3.59Å; R246-V268 HydrophobicContact CG-CG1 4.04Å; R246-V268 HydrophobicContact CG-CG2 3.99Å
269S93.6Very high95.4Very high12 Ų1239 Ų398%0.08423%0.234CC..  trans-84.9150.6-172.4-65.80000113D245 L247 E273D245-S269 VanDerWaalsContact O-CB 3.23Å; D245-S269 WeakPolarHBondContact O-CB 3.49Å; D245-S269 PolarHBondContact O-N 3.46Å; L247-S269 PolarHBondContact N-OG 2.8Å; S269-E273 WeakPolarHBondContact CA-OE2 3.45Å
270T95.4Very high95.1Very high64 Ų6439.6 Ų39.639%0.39324%0.24SC..  trans-108.8158-178.667.90000112.6A272 E273 A274T270-A272 PolarHBondContact O-N 3.16Å; T270-E273 PolarHBondContact N-OE2 2.79Å; T270-E273 PolarHBondContact O-N 3.11Å; T270-E273 VanDerWaalsContact OG1-CG 3.3Å; T270-E273 WeakPolarHBondContact OG1-CG 3.41Å; T270-E273 PolarHBondContact OG1-N 3.2Å; T270-E273 PolarHBondContact OG1-OE2 2.92Å; T270-A274 PolarHBondContact O-N 3.36Å
271A95.3Very high94.8Very high26 Ų2640.5 Ų40.522%0.21526%0.263CS..Hα-helixtrans-60.6-31.3172.200000112.6L265 A274 A275 Y293L265-A271 HydrophobicContact CD1-CB 4Å; L265-A271 HydrophobicContact CD2-CB 4.2Å; A271-A274 PolarHBondContact O-N 2.92Å; A271-A275 WeakPolarHBondContact O-CB 3.41Å; A271-A275 PolarHBondContact O-N 2.95Å; A271-Y293 HydrophobicContact CB-CD2 4.25Å; A271-Y293 HydrophobicContact CB-CE2 4.02Å
272A95.9Very high94.6Very high75 Ų7542.3 Ų42.362%0.6228%0.276SS*.Hα-helixtrans-67.4-41.6176.700000111.9T270 A275 A276T270-A272 PolarHBondContact O-N 3.16Å; A272-A275 PolarHBondContact O-N 2.93Å; A272-A276 WeakPolarHBondContact O-CB 3.46Å; A272-A276 PolarHBondContact O-N 3.24Å
273E95.4Very high94.2Very high90 Ų9045.5 Ų45.542%0.42130%0.303SS..Hα-helixtrans-64.5-43.5174.2-72.6166.7158.300111.6L247 S269 T270 A275 A276 H277L247-E273 HydrophobicContact CD1-CB 4.14Å; S269-E273 WeakPolarHBondContact CA-OE2 3.45Å; T270-E273 PolarHBondContact N-OE2 2.79Å; T270-E273 PolarHBondContact O-N 3.11Å; T270-E273 VanDerWaalsContact OG1-CG 3.3Å; T270-E273 WeakPolarHBondContact OG1-CG 3.41Å; T270-E273 PolarHBondContact OG1-N 3.2Å; T270-E273 PolarHBondContact OG1-OE2 2.92Å; E273-A275 VanDerWaalsContact C-N 3.34Å; E273-A275 PolarHBondContact O-N 3.47Å; E273-A276 PolarHBondContact O-N 2.94Å; E273-H277 PolarHBondContact O-N 3.33Å
274A95.3Very high93.8Very high0 Ų052.7 Ų52.70%034%0.336CS..Hα-helixtrans-60.4-43.3176.100000111.8L247 L263 T270 A271 H277 R278 P290L247-A274 HydrophobicContact CD1-CB 4.12Å; L247-A274 HydrophobicContact CD2-CB 4.17Å; L263-A274 HydrophobicContact CD2-CB 4.12Å; T270-A274 PolarHBondContact O-N 3.36Å; A271-A274 PolarHBondContact O-N 2.92Å; A274-H277 PolarHBondContact O-N 3.38Å; A274-R278 PolarHBondContact O-N 2.72Å; A274-P290 HydrophobicContact CB-CG 4.22Å
275A94.8Very high93.6Very high25 Ų2559 Ų5921%0.20736%0.36CS..Hα-helixtrans-63.6-42.5174.200000111.9A271 A272 E273 H277 R278 D279A271-A275 WeakPolarHBondContact O-CB 3.41Å; A271-A275 PolarHBondContact O-N 2.95Å; A272-A275 PolarHBondContact O-N 2.93Å; E273-A275 VanDerWaalsContact C-N 3.34Å; E273-A275 PolarHBondContact O-N 3.47Å; A275-H277 VanDerWaalsContact C-N 3.27Å; A275-H277 PolarHBondContact O-N 2.81Å; A275-R278 WeakPolarHBondContact O-CB 3.23Å; A275-R278 PolarHBondContact O-N 3.37Å; A275-R278 VanDerWaalsContact O-N 3.16Å; A275-D279 VanDerWaalsContact O-CG 3.27Å; A275-D279 PolarHBondContact O-N 3.38Å
276A95.1Very high93.4Very high56 Ų5662 Ų6246%0.46337%0.368SS..Hα-helixtrans-63.3-32.2176.200000112.7A272 E273 S280A272-A276 WeakPolarHBondContact O-CB 3.46Å; A272-A276 PolarHBondContact O-N 3.24Å; E273-A276 PolarHBondContact O-N 2.94Å; A276-S280 PolarHBondContact O-N 3.42Å
277H94.5Very high93.3Very high37 Ų3763.1 Ų63.117%0.17138%0.379CS..Hα-helixtrans-70.3-41.7172-78.610.7000112.5E273 A274 A275 D279 S280 R285 V289E273-H277 PolarHBondContact O-N 3.33Å; A274-H277 PolarHBondContact O-N 3.38Å; A275-H277 VanDerWaalsContact C-N 3.27Å; A275-H277 PolarHBondContact O-N 2.81Å; H277-D279 VanDerWaalsContact C-N 3.34Å; H277-D279 PolarHBondContact O-N 2.69Å; H277-S280 WeakPolarHBondContact O-CB 3.49Å; H277-S280 PolarHBondContact O-N 3.21Å; H277-R285 HydrophobicContact CB-CB 4.22Å; H277-V289 HydrophobicContact CB-CG2 3.8Å
278R93.6Very high93.5Very high94 Ų9463.4 Ų63.436%0.35537%0.371SS..Hα-helixtrans-59.3-45.3175.3-177.1-163.765.2-147.1-7.8111.7A274 A275 S280 V289A274-R278 PolarHBondContact O-N 2.72Å; A275-R278 WeakPolarHBondContact O-CB 3.23Å; A275-R278 PolarHBondContact O-N 3.37Å; A275-R278 VanDerWaalsContact O-N 3.16Å; R278-S280 PolarHBondContact O-N 2.92Å; R278-V289 HydrophobicContact CB-CG1 3.95Å; R278-V289 HydrophobicContact CB-CG2 4.06Å; R278-V289 HydrophobicContact CG-CG1 4.35Å; R278-V289 VanDerWaalsContact N-CG2 3.34Å
279D93.3Very high93.8Very high113 Ų11360 Ų6060%0.60435%0.351SS*.THydrogen-bonded Turntrans-80.63.1-176.5-57.1-20.9000112A275 H277A275-D279 VanDerWaalsContact O-CG 3.27Å; A275-D279 PolarHBondContact O-N 3.38Å; H277-D279 VanDerWaalsContact C-N 3.34Å; H277-D279 PolarHBondContact O-N 2.69Å
280S92.1Very high94Very high23 Ų2359.4 Ų59.416%0.16135%0.347CS..  trans-81.1141.1179.6-167.90000113.5A276 H277 R278 S282 R285 R286A276-S280 PolarHBondContact O-N 3.42Å; H277-S280 WeakPolarHBondContact O-CB 3.49Å; H277-S280 PolarHBondContact O-N 3.21Å; R278-S280 PolarHBondContact O-N 2.92Å; S280-S282 PolarHBondContact O-N 2.89Å; S280-S282 PolarHBondContact OG-N 3.27Å; S280-R285 WeakPolarHBondContact OG-CD 3.26Å; S280-R286 PolarHBondContact O-NH1 2.93Å
281G90.8Very high94.1Very high70 Ų7058.4 Ų58.472%0.72234%0.339SS*.SBendtrans-67.8-16.2166.600000114.4R286G281-R286 PolarHBondContact O-NH1 3.44Å
282S93.2Very high94.2Very high39 Ų3958.6 Ų58.627%0.27334%0.335SS..  trans-77.3127.1-178.71720000112.3S280 E284 R285 R286S280-S282 PolarHBondContact O-N 2.89Å; S280-S282 PolarHBondContact OG-N 3.27Å; S282-E284 VanDerWaalsContact C-N 3.29Å; S282-E284 PolarHBondContact O-N 3.17Å; S282-E284 PolarHBondContact OG-N 2.9Å; S282-R285 PolarHBondContact O-N 3.47Å; S282-R285 PolarHBondContact OG-N 3.26Å; S282-R286 WeakPolarHBondContact O-CG 3.25Å; S282-R286 PolarHBondContact O-N 3.44Å
283A90.9Very high94.3Very high67 Ų6757.4 Ų57.455%0.55431%0.314SS*.Hα-helixtrans-62.7-36.3173.600000112.2R286 A287A283-R286 PolarHBondContact O-N 2.92Å; A283-A287 PolarHBondContact O-N 2.89Å
284E90.9Very high94.4Very high151 Ų15153.1 Ų53.171%0.70629%0.294SS*.Hα-helixtrans-62.5-45.3177.7-63.2175.2170.400111.2S282 A287S282-E284 VanDerWaalsContact C-N 3.29Å; S282-E284 PolarHBondContact O-N 3.17Å; S282-E284 PolarHBondContact OG-N 2.9Å; E284-A287 WeakPolarHBondContact O-CB 3.45Å; E284-A287 PolarHBondContact O-N 3.03Å
285R92.9Very high94.5Very high131 Ų13157.5 Ų57.549%0.49432%0.315SS..Hα-helixtrans-66.3-40.2176.7-71.7-176.7177.6-176.82.2111.7H277 S280 S282 A287 M288H277-R285 HydrophobicContact CB-CB 4.22Å; S280-R285 WeakPolarHBondContact OG-CD 3.26Å; S282-R285 PolarHBondContact O-N 3.47Å; S282-R285 PolarHBondContact OG-N 3.26Å; R285-A287 PolarHBondContact O-N 3.36Å; R285-M288 WeakPolarHBondContact O-CB 3.23Å; R285-M288 PolarHBondContact O-N 3.46Å
286R92.1Very high94.6Very high104 Ų10457.1 Ų57.139%0.39231%0.311SS..Hα-helixtrans-63.5-28.1176.2-72.7-165-58.6-90.1-0.7113.3S280 G281 S282 A283 M288 V289S280-R286 PolarHBondContact O-NH1 2.93Å; G281-R286 PolarHBondContact O-NH1 3.44Å; S282-R286 WeakPolarHBondContact O-CG 3.25Å; S282-R286 PolarHBondContact O-N 3.44Å; A283-R286 PolarHBondContact O-N 2.92Å; R286-M288 PolarHBondContact O-N 3.42Å; R286-V289 WeakPolarHBondContact O-CB 3.44Å; R286-V289 WeakPolarHBondContact O-CG2 3.22Å; R286-V289 PolarHBondContact O-N 3.38Å
287A92.9Very high94.8Very high37 Ų3754.5 Ų54.531%0.30629%0.289SS..Hα-helixtrans-69-21.6174.200000113.1L252 S255 A283 E284 R285 V289L252-A287 HydrophobicContact CD1-CB 3.86Å; S255-A287 WeakPolarHBondContact CB-O 3.47Å; S255-A287 PolarHBondContact OG-O 3.34Å; A283-A287 PolarHBondContact O-N 2.89Å; E284-A287 WeakPolarHBondContact O-CB 3.45Å; E284-A287 PolarHBondContact O-N 3.03Å; R285-A287 PolarHBondContact O-N 3.36Å; A287-V289 VanDerWaalsContact C-N 3.34Å
288M95.3Very high94.9Very high41 Ų4153.8 Ų53.820%0.20229%0.29CS..THydrogen-bonded Turntrans-92.910.6177.9-61173.5-178.500112.7L247 D248 I251 L252 R285 R286L247-M288 HydrophobicContact CB-CB 4.17Å; L247-M288 WeakPolarHBondContact CD2-O 3.45Å; D248-M288 HydrophobicContact CB-CE 4.34Å; D248-M288 HydrophobicContact CB-SD 4.38Å; I251-M288 WeakPolarHBondContact CG2-O 3.49Å; L252-M288 HydrophobicContact CB-CG 4.23Å; L252-M288 HydrophobicContact CD1-CG 4.2Å; L252-M288 HydrophobicContact CD2-CE 3.89Å; L252-M288 HydrophobicContact CD2-CG 4.38Å; R285-M288 WeakPolarHBondContact O-CB 3.23Å; R285-M288 PolarHBondContact O-N 3.46Å; R286-M288 PolarHBondContact O-N 3.42Å
289V96.7Very high95Very high4 Ų452.3 Ų52.32%0.02429%0.289CS..  trans-88.6124179.81800000109Q5 C6 H277 R278 R286 A287Q5-V289 HydrophobicContact CB-CG1 4.03Å; C6-V289 HydrophobicContact CB-CG1 3.82Å; H277-V289 HydrophobicContact CB-CG2 3.8Å; R278-V289 HydrophobicContact CB-CG1 3.95Å; R278-V289 HydrophobicContact CB-CG2 4.06Å; R278-V289 HydrophobicContact CG-CG1 4.35Å; R278-V289 VanDerWaalsContact N-CG2 3.34Å; R286-V289 WeakPolarHBondContact O-CB 3.44Å; R286-V289 WeakPolarHBondContact O-CG2 3.22Å; R286-V289 PolarHBondContact O-N 3.38Å; A287-V289 VanDerWaalsContact C-N 3.34Å
290P97.4Very high95.2Very high0 Ų047 Ų470%026%0.26CS..  trans-73.915517932.9-36.5000110.5C6 L247 I251 T261 L263 A274 Y292C6-P290 WeakPolarHBondContact CA-O 3.35Å; C6-P290 PolarHBondContact N-O 3.01Å; L247-P290 HydrophobicContact CD2-CG 4.44Å; I251-P290 HydrophobicContact CD1-CB 3.97Å; I251-P290 HydrophobicContact CG1-CB 4.18Å; I251-P290 HydrophobicContact CG2-CB 3.91Å; T261-P290 WeakPolarHBondContact OG1-CA 3.48Å; L263-P290 HydrophobicContact CB-CB 3.89Å; L263-P290 HydrophobicContact CB-CG 3.88Å; L263-P290 HydrophobicContact CD2-CG 4.23Å; A274-P290 HydrophobicContact CB-CG 4.22Å; P290-Y292 VanDerWaalsContact C-N 3.33Å; P290-Y292 WeakPolarHBondContact CB-O 3.4Å
291D97.1Very high95.3Very high43 Ų4347.2 Ų47.223%0.2326%0.26CS..SBendtrans-65.2-45.4169.1-59.7-57.6000109.2S4 C6 A7 K260 T261S4-D291 CarbonylContact O-C 3.57Å; S4-D291 WeakPolarHBondContact O-CA 3.33Å; C6-D291 PolarHBondContact N-O 3.42Å; A7-D291 PolarHBondContact N-O 2.71Å; K260-D291 WeakPolarHBondContact CA-OD2 3.25Å; T261-D291 PolarHBondContact N-OD2 3.08Å; T261-D291 WeakPolarHBondContact O-CB 3.49Å; T261-D291 PolarHBondContact O-N 3.19Å; T261-D291 PolarHBondContact OG1-N 3.14Å; T261-D291 PolarHBondContact OG1-OD2 3.45Å; T261-D291 VanDerWaalsContact OG1-OD2 3.06Å
292Y97.7Very high95.5Very high31 Ų3147.7 Ų47.712%0.12225%0.25CC..EExtended strand (participates in β ladder)trans-135.7159-175.7-59-74.9000113.3S4 A7 L9 L17 T261 L262 L263 P290S4-Y292 WeakPolarHBondContact OG-CE1 3.39Å; S4-Y292 VanDerWaalsContact OG-CZ 3.25Å; S4-Y292 PolarHBondContact OG-OH 3.2Å; S4-Y292 VanDerWaalsContact OG-OH 3.09Å; A7-Y292 HydrophobicContact CB-CD1 4.2Å; A7-Y292 HydrophobicContact CB-CE1 4.46Å; A7-Y292 CarbonylContact O-C 3.6Å; A7-Y292 WeakPolarHBondContact O-CA 3.35Å; L9-Y292 HydrophobicContact CB-CD1 4.45Å; L9-Y292 HydrophobicContact CD1-CD1 3.56Å; L9-Y292 HydrophobicContact CD1-CD2 4.26Å; L9-Y292 HydrophobicContact CD1-CE1 3.96Å; L9-Y292 HydrophobicContact CD1-CG 3.73Å; L17-Y292 HydrophobicContact CD1-CD2 4.21Å; L17-Y292 HydrophobicContact CD1-CE2 3.96Å; L17-Y292 HydrophobicContact CD2-CD2 3.87Å; L17-Y292 HydrophobicContact CD2-CE2 4.28Å; T261-Y292 PolarHBondContact O-N 3.07Å; L262-Y292 WeakPolarHBondContact CA-O 3.35Å; L263-Y292 PolarHBondContact N-O 2.99Å; P290-Y292 VanDerWaalsContact C-N 3.33Å; P290-Y292 WeakPolarHBondContact CB-O 3.4Å
293Y97.9Very high95.4Very high49 Ų4946.7 Ų46.719%0.19224%0.244CC..EExtended strand (participates in β ladder)trans-136.6153.8166.874.1-87.7000113.2A7 R8 L9 L263 L265 A271A7-Y293 WeakPolarHBondContact O-CD1 3.22Å; A7-Y293 PolarHBondContact O-N 3.17Å; R8-Y293 WeakPolarHBondContact CA-O 3.45Å; R8-Y293 HydrophobicContact CB-CE1 3.89Å; R8-Y293 HydrophobicContact CB-CE2 3.99Å; R8-Y293 HydrophobicContact CG-CD2 4.41Å; R8-Y293 HydrophobicContact CG-CE2 3.84Å; R8-Y293 VanDerWaalsContact N-CE1 3.26Å; L9-Y293 PolarHBondContact N-O 2.67Å; L263-Y293 CarbonylContact O-C 3.16Å; L263-Y293 WeakPolarHBondContact O-CA 3.27Å; L265-Y293 HydrophobicContact CD1-CD2 3.94Å; L265-Y293 HydrophobicContact CD1-CE2 4.27Å; L265-Y293 HydrophobicContact CG-CD2 4.38Å; A271-Y293 HydrophobicContact CB-CD2 4.25Å; A271-Y293 HydrophobicContact CB-CE2 4.02Å
294V98Very high95.4Very high1 Ų143.7 Ų43.71%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-135157.3176.2-72.80000110.3L9 L262 L263 T264 L265 S296 D299L9-V294 HydrophobicContact CB-CG1 3.73Å; L9-V294 HydrophobicContact CD2-CG1 4.24Å; L262-V294 HydrophobicContact CD1-CG1 4.02Å; L262-V294 HydrophobicContact CD1-CG2 4.04Å; L262-V294 HydrophobicContact CD2-CG2 4.33Å; L262-V294 HydrophobicContact CG-CG2 4.23Å; L263-V294 PolarHBondContact O-N 3.23Å; T264-V294 WeakPolarHBondContact CA-O 3.5Å; L265-V294 WeakPolarHBondContact CG-O 3.42Å; L265-V294 PolarHBondContact N-O 3.1Å; V294-S296 VanDerWaalsContact C-N 3.35Å; V294-S296 WeakPolarHBondContact CG2-O 3.39Å; V294-D299 HydrophobicContact CB-CB 4.05Å; V294-D299 HydrophobicContact CG1-CB 3.97Å
295E97.4Very high95.1Very high91 Ų9138 Ų3843%0.42519%0.192SC..SBendtrans-66.9-44174.6-65.2-61.4148.400110.3R8 L265 T266 D299R8-E295 IonicContact CZ-OE1 2.86Å; R8-E295 IonicContact NH2-OE1 3.67Å; L265-E295 CarbonylContact C-O 3.58Å; L265-E295 PolarHBondContact N-O 3.17Å; T266-E295 WeakPolarHBondContact CG2-O 3.35Å; T266-E295 PolarHBondContact N-O 3.27Å; E295-D299 WeakPolarHBondContact CB-OD2 3.43Å; E295-D299 PolarHBondContact N-OD2 2.93Å
296S97.6Very high93.9Very high18 Ų1833.1 Ų33.113%0.12618%0.183CC..SBendtrans-145.5155.7174.7171.50000109T264 V294 A298 D299T264-S296 WeakPolarHBondContact OG1-CA 3.44Å; V294-S296 VanDerWaalsContact C-N 3.35Å; V294-S296 WeakPolarHBondContact CG2-O 3.39Å; S296-A298 PolarHBondContact O-N 2.88Å; S296-A298 PolarHBondContact OG-N 3.33Å; S296-D299 PolarHBondContact N-OD2 3.37Å; S296-D299 VanDerWaalsContact O-CB 3.27Å; S296-D299 WeakPolarHBondContact O-CB 3.44Å; S296-D299 VanDerWaalsContact O-CG 3.28Å; S296-D299 PolarHBondContact O-N 3.32Å
297I97.8Very high92.1Very high0 Ų036.6 Ų36.60%020%0.203CC..G310 helixtrans-59.7-18.1171.265.1167.4000112.6F26 V31 I32 A42 V45 V243 T264 D299 L300F26-I297 HydrophobicContact CD1-CD1 4.34Å; F26-I297 HydrophobicContact CE1-CD1 4.04Å; F26-I297 HydrophobicContact CE1-CG2 4.27Å; V31-I297 HydrophobicContact CG1-CG2 4.12Å; I32-I297 HydrophobicContact CG2-CD1 4.01Å; A42-I297 HydrophobicContact CB-CD1 3.74Å; A42-I297 HydrophobicContact CB-CG1 4.2Å; V45-I297 VanDerWaalsContact CG2-O 3.28Å; V45-I297 WeakPolarHBondContact CG2-O 3.13Å; V243-I297 HydrophobicContact CG1-CG2 3.63Å; T264-I297 HydrophobicContact CG2-CG2 4.49Å; I297-D299 PolarHBondContact O-N 3.5Å; I297-L300 VanDerWaalsContact O-CB 3.29Å; I297-L300 WeakPolarHBondContact O-CB 3.49Å; I297-L300 VanDerWaalsContact O-CG 3.26Å; I297-L300 WeakPolarHBondContact O-CG 3.44Å; I297-L300 PolarHBondContact O-N 2.99Å; I297-L300 VanDerWaalsContact O-N 3.08Å
298A97Very high89.9Confident23 Ų2342.2 Ų42.219%0.1923%0.228CC..G310 helixtrans-58.4-23.7170.300000113.3S296 L300 L301S296-A298 PolarHBondContact O-N 2.88Å; S296-A298 PolarHBondContact OG-N 3.33Å; A298-L300 PolarHBondContact O-N 2.85Å; A298-L301 HydrophobicContact CB-CD1 4.27Å; A298-L301 VanDerWaalsContact O-CB 3.25Å; A298-L301 WeakPolarHBondContact O-CB 2.89Å; A298-L301 VanDerWaalsContact O-CG 3.28Å; A298-L301 WeakPolarHBondContact O-CG 3.48Å; A298-L301 PolarHBondContact O-N 2.76Å
299D96.6Very high87.7Confident62 Ų6242.1 Ų42.133%0.33223%0.229SC..G310 helixtrans-63.9-12.2175.5-63.8-12.8000112.4V294 E295 S296 I297 P302V294-D299 HydrophobicContact CB-CB 4.05Å; V294-D299 HydrophobicContact CG1-CB 3.97Å; E295-D299 WeakPolarHBondContact CB-OD2 3.43Å; E295-D299 PolarHBondContact N-OD2 2.93Å; S296-D299 PolarHBondContact N-OD2 3.37Å; S296-D299 VanDerWaalsContact O-CB 3.27Å; S296-D299 WeakPolarHBondContact O-CB 3.44Å; S296-D299 VanDerWaalsContact O-CG 3.28Å; S296-D299 PolarHBondContact O-N 3.32Å; I297-D299 PolarHBondContact O-N 3.5Å; D299-P302 WeakPolarHBondContact O-CD 3.41Å
300L96.4Very high85.2Confident2 Ų248.1 Ų48.11%0.0127%0.267CS..G310 helixtrans-79.4-17.7173.1-54.7179.7000113.1L9 V14 V45 L262 I297 A298 A303 L304L9-L300 HydrophobicContact CD2-CD2 3.68Å; V14-L300 HydrophobicContact CG1-CD2 3.71Å; V45-L300 HydrophobicContact CG1-CB 4.3Å; V45-L300 HydrophobicContact CG1-CD1 4.07Å; L262-L300 HydrophobicContact CD2-CD1 4.24Å; L262-L300 HydrophobicContact CD2-CD2 4.26Å; I297-L300 VanDerWaalsContact O-CB 3.29Å; I297-L300 WeakPolarHBondContact O-CB 3.49Å; I297-L300 VanDerWaalsContact O-CG 3.26Å; I297-L300 WeakPolarHBondContact O-CG 3.44Å; I297-L300 PolarHBondContact O-N 2.99Å; I297-L300 VanDerWaalsContact O-N 3.08Å; A298-L300 PolarHBondContact O-N 2.85Å; L300-A303 PolarHBondContact O-N 3.25Å; L300-L304 HydrophobicContact CB-CD1 4.06Å; L300-L304 WeakPolarHBondContact O-CG 3.35Å; L300-L304 PolarHBondContact O-N 3.48Å
301L95.7Very high82.8Confident28 Ų2852 Ų5215%0.14730%0.295CS..Hα-helixtrans-57.6-46.2-174.2-72.7172.5000113.9R44 V45 L48 A298 A303 L304 Q305R44-L301 HydrophobicContact CB-CD2 4.04Å; R44-L301 HydrophobicContact CG-CD2 3.6Å; V45-L301 HydrophobicContact CB-CD2 4.47Å; V45-L301 HydrophobicContact CG2-CD1 4.46Å; V45-L301 HydrophobicContact CG2-CD2 3.57Å; V45-L301 HydrophobicContact CG2-CG 3.64Å; L48-L301 HydrophobicContact CD1-CD2 3.89Å; A298-L301 HydrophobicContact CB-CD1 4.27Å; A298-L301 VanDerWaalsContact O-CB 3.25Å; A298-L301 WeakPolarHBondContact O-CB 2.89Å; A298-L301 VanDerWaalsContact O-CG 3.28Å; A298-L301 WeakPolarHBondContact O-CG 3.48Å; A298-L301 PolarHBondContact O-N 2.76Å; L301-A303 PolarHBondContact O-N 3.08Å; L301-A303 VanDerWaalsContact O-N 3.13Å; L301-L304 CarbonylContact O-C 3.5Å; L301-L304 WeakPolarHBondContact O-CA 3.33Å; L301-L304 PolarHBondContact O-N 2.87Å; L301-Q305 WeakPolarHBondContact O-CG 3.42Å; L301-Q305 PolarHBondContact O-N 3Å
302P93.1Very high80.1Confident79 Ų7958.9 Ų58.951%0.51333%0.331SS..Hα-helixtrans-58.8-32.6-178.3-2636.2000113.3D299D299-P302 WeakPolarHBondContact O-CD 3.41Å
303A91.8Very high79.3Confident18 Ų1860.3 Ų60.315%0.14934%0.341CS..Hα-helixtrans-77.9-27.5175.700000112.9V14 R15 L300 L301V14-A303 HydrophobicContact CB-CB 3.75Å; V14-A303 HydrophobicContact CG1-CB 3.34Å; R15-A303 HydrophobicContact CG-CB 3.84Å; L300-A303 PolarHBondContact O-N 3.25Å; L301-A303 PolarHBondContact O-N 3.08Å; L301-A303 VanDerWaalsContact O-N 3.13Å
304L90.8Very high78.3Confident5 Ų560.9 Ų60.93%0.02635%0.349CS..Hα-helixtrans-90.6-10.5179.3-70.3170.4000113.6L18 V45 L48 L49 R52 L300 L301L18-L304 HydrophobicContact CD1-CD2 3.83Å; L18-L304 HydrophobicContact CD1-CG 3.99Å; V45-L304 HydrophobicContact CG1-CD1 4.03Å; L48-L304 HydrophobicContact CB-CB 4.02Å; L48-L304 HydrophobicContact CB-CD1 4.28Å; L48-L304 HydrophobicContact CD1-CB 3.86Å; L49-L304 HydrophobicContact CD2-CD1 4.22Å; L49-L304 HydrophobicContact CD2-CD2 3.94Å; L49-L304 HydrophobicContact CG-CD1 4.08Å; L49-L304 HydrophobicContact CG-CD2 4.4Å; R52-L304 PolarHBondContact NH1-O 2.81Å; R52-L304 VanDerWaalsContact NH2-C 3.28Å; R52-L304 PolarHBondContact NH2-O 2.87Å; L300-L304 HydrophobicContact CB-CD1 4.06Å; L300-L304 WeakPolarHBondContact O-CG 3.35Å; L300-L304 PolarHBondContact O-N 3.48Å; L301-L304 CarbonylContact O-C 3.5Å; L301-L304 WeakPolarHBondContact O-CA 3.33Å; L301-L304 PolarHBondContact O-N 2.87Å
305Q85.6Confident77.2Confident31 Ų3164.2 Ų64.215%0.14537%0.368CS..Hα-helixtrans-93.8-22.5177.3-74.4178.5-6700111.9L48 L301 D309L48-Q305 HydrophobicContact CD1-CG 3.91Å; L301-Q305 WeakPolarHBondContact O-CG 3.42Å; L301-Q305 PolarHBondContact O-N 3Å; Q305-D309 HydrophobicContact CB-CB 3.8Å; Q305-D309 HydrophobicContact CG-CB 4.31Å; Q305-D309 WeakPolarHBondContact CG-OD2 3.32Å; Q305-D309 PolarHBondContact NE2-OD2 3.11Å
306G66.9Low76Confident29 Ų2962.6 Ų62.630%0.29937%0.365SS..  trans70170.4-167.800000110.5D308G306-D308 PolarHBondContact O-N 3.31Å
307E54.6Low74.6Confident176 Ų17665.4 Ų65.482%0.82238%0.38SS*.THydrogen-bonded Turntrans-72.7-0.6179.2-72.8173.5-173.300113.3
308D47.3Very low73.1Confident156 Ų15669.8 Ų69.883%0.83441%0.405SS*.THydrogen-bonded Turntrans-113.612.3-169.7-65.7-45.1000115.2G306 P310G306-D308 PolarHBondContact O-N 3.31Å; D308-P310 VanDerWaalsContact O-CD 3.25Å; D308-P310 WeakPolarHBondContact O-CD 3.39Å
309D47.9Very low71.4Confident39 Ų3973.1 Ų73.121%0.20942%0.42CS..  trans-87.8108.6175.1-162.1-3.2000110.2R44 Q305 S311R44-D309 IonicContact NH2-OD2 2.7Å; R44-D309 PolarHBondContact NH2-OD2 3.47Å; Q305-D309 HydrophobicContact CB-CB 3.8Å; Q305-D309 HydrophobicContact CG-CB 4.31Å; Q305-D309 WeakPolarHBondContact CG-OD2 3.32Å; Q305-D309 PolarHBondContact NE2-OD2 3.11Å; D309-S311 PolarHBondContact O-N 2.75Å
310P44.2Very low69.5Low129 Ų12974 Ų7484%0.83843%0.427SS*.THydrogen-bonded Turntrans-74.111.9-17331.6-36.6000114.3D308D308-P310 VanDerWaalsContact O-CD 3.25Å; D308-P310 WeakPolarHBondContact O-CD 3.39Å
311S47.3Very low67.2Low83 Ų8380 Ų8058%0.5846%0.462SS*.THydrogen-bonded Turntrans-99.116.5-179.179.10000114.5D309D309-S311 PolarHBondContact O-N 2.75Å
312L41.6Very low64.6Low187 Ų18784.7 Ų84.798%0.97949%0.49SS*.  trans-95.20171.7-80.4167.5000111.5

Retrieved 312 of 312 residues in 524.4 ms (Link to these results)

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