A0A093H7T7_STRCA Loading...

Alanine--tRNA ligase

Catalyzes the attachment of alanine to tRNA(Ala) in a two-step reaction: alanine is first activated by ATP to form Ala-AMP and then transferred to the acceptor end of tRNA(Ala). Also edits incorrectly charged tRNA(Ala) via its editing domain.

AlphaFold DB , UniProt , Accession A0A093H7T7, Species STRCA (Struthio camelus australis), Gene AARS, Length 968 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
1M30.8Very low79.7Confident242 Ų24280.5 Ų80.5100%1.19245%0.448SS*.  0105.40-79.1-177.3-89.300105.5A3M1-A3 PolarHBondContact O-N 3.31Å
2E42.9Very low81.1Confident191 Ų19181.6 Ų81.689%0.89345%0.447SS*.PPolyproline II helixtrans-55.4134.4167.6-73.6-175.1153.600107.5T4E2-T4 PolarHBondContact O-N 2.82Å; E2-T4 VanDerWaalsContact O-N 3.15Å
3A53.6Low82.4Confident93 Ų9384 Ų8477%0.76945%0.445SS*.PPolyproline II helixtrans-58.9121.8-178.900000108.6M1 L5M1-A3 PolarHBondContact O-N 3.31Å; A3-L5 PolarHBondContact O-N 3.42Å
4T82.2Confident83.5Confident88 Ų8878 Ų7854%0.5441%0.413SS..PPolyproline II helixtrans-56.1127.2176.3-49.20000109.5E2 Q252E2-T4 PolarHBondContact O-N 2.82Å; E2-T4 VanDerWaalsContact O-N 3.15Å; T4-Q252 HydrophobicContact CG2-CB 3.9Å; T4-Q252 HydrophobicContact CG2-CG 3.63Å
5L91.9Very high84.5Confident29 Ų2973.5 Ų73.515%0.15239%0.389CS..PPolyproline II helixtrans-64.3136-177.2-62172.4000111.1A3 Q9 I10 F126 Q252A3-L5 PolarHBondContact O-N 3.42Å; L5-Q9 HydrophobicContact CB-CB 4.48Å; L5-Q9 HydrophobicContact CD2-CB 4.37Å; L5-I10 HydrophobicContact CB-CD1 4.02Å; L5-I10 HydrophobicContact CB-CG1 3.66Å; L5-I10 HydrophobicContact CD1-CG1 4.25Å; L5-F126 HydrophobicContact CD1-CD1 4.34Å; L5-Q252 PolarHBondContact O-NE2 2.86Å; L5-Q252 VanDerWaalsContact O-NE2 3.09Å
6T94.9Very high85.3Confident56 Ų5672.4 Ų72.434%0.34438%0.383SS..PPolyproline II helixtrans-74.2157.7171.867.90000110.7S8 Q9 I10 D261T6-S8 PolarHBondContact O-N 3.31Å; T6-Q9 WeakPolarHBondContact O-CB 3.49Å; T6-Q9 PolarHBondContact O-N 3.43Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.41Å; T6-Q9 PolarHBondContact OG1-N 2.73Å; T6-Q9 PolarHBondContact OG1-OE1 2.87Å; T6-I10 WeakPolarHBondContact O-CG1 3.49Å; T6-I10 PolarHBondContact O-N 3.46Å; T6-D261 WeakPolarHBondContact CA-OD2 3.48Å; T6-D261 WeakPolarHBondContact CB-OD2 3.29Å
7A94.8Very high86.1Confident4 Ų469.2 Ų69.23%0.03337%0.366CS..Hα-helixtrans-56.4-36.2176.800000112.7I10 R11 V248 D261 L262A7-I10 PolarHBondContact O-N 3.39Å; A7-R11 WeakPolarHBondContact O-CB 3.32Å; A7-R11 PolarHBondContact O-N 3.48Å; A7-V248 HydrophobicContact CB-CG1 4.14Å; A7-V248 HydrophobicContact CB-CG2 3.74Å; A7-D261 WeakPolarHBondContact CB-OD1 3.43Å; A7-D261 PolarHBondContact N-OD1 2.85Å; A7-D261 PolarHBondContact N-OD2 3.12Å; A7-L262 HydrophobicContact CB-CD1 4.28Å; A7-L262 HydrophobicContact CB-CD2 3.42Å; A7-L262 VanDerWaalsContact CB-CD2 3.42Å; A7-L262 HydrophobicContact CB-CG 3.63Å
8S94.9Very high86.8Confident71 Ų7165.5 Ų65.550%0.49735%0.346SS..Hα-helixtrans-64.4-42.9175.1-170.30000112.6T6 R11 Q12T6-S8 PolarHBondContact O-N 3.31Å; S8-R11 PolarHBondContact O-N 3.2Å; S8-Q12 WeakPolarHBondContact O-CB 3.48Å; S8-Q12 PolarHBondContact O-N 3.24Å
9Q96Very high87.4Confident93 Ų9367 Ų6744%0.43535%0.349SS..Hα-helixtrans-65.9-39.7175.4-71.4170.7-29.800112L5 T6 Q12 R13L5-Q9 HydrophobicContact CB-CB 4.48Å; L5-Q9 HydrophobicContact CD2-CB 4.37Å; T6-Q9 WeakPolarHBondContact O-CB 3.49Å; T6-Q9 PolarHBondContact O-N 3.43Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.41Å; T6-Q9 PolarHBondContact OG1-N 2.73Å; T6-Q9 PolarHBondContact OG1-OE1 2.87Å; Q9-Q12 PolarHBondContact O-N 3.25Å; Q9-R13 WeakPolarHBondContact O-CB 3.36Å; Q9-R13 WeakPolarHBondContact O-CG 3.47Å; Q9-R13 PolarHBondContact O-N 2.78Å
10I97.1Very high87.9Confident0 Ų070.6 Ų70.60%037%0.369CS..Hα-helixtrans-62.7-48.7177.6-67.9163.5000110.3L5 T6 A7 Q12 R13 F14 F126 L244 L247 V248 L251L5-I10 HydrophobicContact CB-CD1 4.02Å; L5-I10 HydrophobicContact CB-CG1 3.66Å; L5-I10 HydrophobicContact CD1-CG1 4.25Å; T6-I10 WeakPolarHBondContact O-CG1 3.49Å; T6-I10 PolarHBondContact O-N 3.46Å; A7-I10 PolarHBondContact O-N 3.39Å; I10-Q12 PolarHBondContact O-N 3.11Å; I10-R13 PolarHBondContact O-N 2.98Å; I10-F14 PolarHBondContact O-N 3.41Å; I10-F126 HydrophobicContact CG2-CE1 4.06Å; I10-F126 HydrophobicContact CG2-CZ 4.04Å; I10-L244 HydrophobicContact CG2-CD1 4.06Å; I10-L247 HydrophobicContact CG2-CD2 3.5Å; I10-L247 HydrophobicContact CG2-CG 4.15Å; I10-V248 HydrophobicContact CD1-CB 4.31Å; I10-V248 HydrophobicContact CD1-CG1 4.4Å; I10-V248 HydrophobicContact CD1-CG2 3.8Å; I10-V248 HydrophobicContact CG2-CG2 4.43Å; I10-L251 HydrophobicContact CD1-CB 3.99Å; I10-L251 HydrophobicContact CD1-CD1 3.71Å; I10-L251 HydrophobicContact CD1-CG 4.45Å; I10-L251 HydrophobicContact CG1-CD1 3.76Å; I10-L251 HydrophobicContact CG2-CD1 4.03Å
11R97.4Very high88.4Confident19 Ų1969.6 Ų69.67%0.07236%0.364CS..Hα-helixtrans-56.6-47.7175.3-176.4-166.8-63.8109.41.9111.7A7 S8 F14 I15 T72 E99 L101 L244A7-R11 WeakPolarHBondContact O-CB 3.32Å; A7-R11 PolarHBondContact O-N 3.48Å; S8-R11 PolarHBondContact O-N 3.2Å; R11-F14 PolarHBondContact O-N 2.99Å; R11-I15 HydrophobicContact CG-CD1 4.15Å; R11-I15 WeakPolarHBondContact O-CG1 3.44Å; R11-I15 PolarHBondContact O-N 2.84Å; R11-I15 VanDerWaalsContact O-N 3.14Å; R11-T72 HydrophobicContact CG-CG2 4.16Å; R11-E99 IonicContact CZ-OE1 2.67Å; R11-E99 IonicContact CZ-OE2 2.76Å; R11-E99 IonicContact NE-OE1 2.66Å; R11-E99 IonicContact NE-OE2 3.9Å; R11-E99 PolarHBondContact NE-OE2 2.76Å; R11-E99 VanDerWaalsContact NH2-CD 3.31Å; R11-E99 IonicContact NH2-OE1 3.36Å; R11-E99 PolarHBondContact NH2-OE1 2.98Å; R11-E99 IonicContact NH2-OE2 2.69Å; R11-E99 PolarHBondContact NH2-OE2 3.31Å; R11-E99 VanDerWaalsContact NH2-OE2 3.15Å; R11-L101 HydrophobicContact CG-CD2 4.12Å; R11-L244 HydrophobicContact CB-CD1 4.37Å
12Q96.8Very high91.5Very high93 Ų9366.2 Ų66.244%0.43534%0.343SS..Hα-helixtrans-66-42.1-178.5-171.157.449.100111.9S8 Q9 I10 F14 I15 D16S8-Q12 WeakPolarHBondContact O-CB 3.48Å; S8-Q12 PolarHBondContact O-N 3.24Å; Q9-Q12 PolarHBondContact O-N 3.25Å; I10-Q12 PolarHBondContact O-N 3.11Å; Q12-F14 VanDerWaalsContact C-N 3.35Å; Q12-F14 PolarHBondContact O-N 3.47Å; Q12-I15 PolarHBondContact O-N 3.45Å; Q12-D16 WeakPolarHBondContact CG-OD2 3.41Å; Q12-D16 PolarHBondContact NE2-OD1 3.43Å; Q12-D16 VanDerWaalsContact NE2-OD1 3.1Å; Q12-D16 PolarHBondContact NE2-OD2 3.13Å; Q12-D16 WeakPolarHBondContact O-CB 3.34Å; Q12-D16 PolarHBondContact O-N 2.86Å
13R97.6Very high94.1Very high113 Ų11357.4 Ų57.443%0.42630%0.301SS..Hα-helixtrans-60.9-41175.5-77.4-175.9-176.8-151.71.8112.7Q9 I10 D16 F17 F126Q9-R13 WeakPolarHBondContact O-CB 3.36Å; Q9-R13 WeakPolarHBondContact O-CG 3.47Å; Q9-R13 PolarHBondContact O-N 2.78Å; I10-R13 PolarHBondContact O-N 2.98Å; R13-D16 PolarHBondContact O-N 3.29Å; R13-F17 VanDerWaalsContact O-CB 3.3Å; R13-F17 WeakPolarHBondContact O-CB 3.37Å; R13-F17 PolarHBondContact O-N 3.37Å; R13-F126 HydrophobicContact CB-CE1 3.99Å; R13-F126 HydrophobicContact CB-CZ 4.31Å
14F98.4Very high96.2Very high0 Ų056.7 Ų56.70%029%0.288CS..Hα-helixtrans-58-50.7174177.1-83000111.1I10 R11 Q12 D16 F17 F18 T70 L101 G102 L121 F126 W215 M242I10-F14 PolarHBondContact O-N 3.41Å; R11-F14 PolarHBondContact O-N 2.99Å; Q12-F14 VanDerWaalsContact C-N 3.35Å; Q12-F14 PolarHBondContact O-N 3.47Å; F14-D16 PolarHBondContact O-N 3.24Å; F14-F17 PolarHBondContact O-N 2.95Å; F14-F18 HydrophobicContact CD1-CD2 4.12Å; F14-F18 HydrophobicContact CD2-CD2 4.32Å; F14-F18 HydrophobicContact CD2-CE2 4.08Å; F14-F18 AromaticContact CE1-CD2 3.76Å; F14-F18 HydrophobicContact CE1-CD2 3.76Å; F14-F18 HydrophobicContact CE1-CE2 4.06Å; F14-F18 AromaticContact CE2-CD2 3.97Å; F14-F18 HydrophobicContact CE2-CD2 3.97Å; F14-F18 AromaticContact CE2-CE2 3.47Å; F14-F18 HydrophobicContact CE2-CE2 3.47Å; F14-F18 VanDerWaalsContact CE2-CE2 3.47Å; F14-F18 HydrophobicContact CG-CD2 4.36Å; F14-F18 AromaticContact CZ-CD2 3.66Å; F14-F18 HydrophobicContact CZ-CD2 3.66Å; F14-F18 AromaticContact CZ-CE2 3.44Å; F14-F18 HydrophobicContact CZ-CE2 3.44Å; F14-F18 VanDerWaalsContact CZ-CE2 3.44Å; F14-F18 HydrophobicContact CZ-CZ 4.48Å; F14-F18 WeakPolarHBondContact O-CD2 3.23Å; F14-F18 PolarHBondContact O-N 2.95Å; F14-T70 WeakPolarHBondContact CE1-OG1 3.13Å; F14-L101 HydrophobicContact CB-CD1 4.1Å; F14-L101 HydrophobicContact CD1-CB 4Å; F14-L101 HydrophobicContact CD1-CD1 4.5Å; F14-L101 HydrophobicContact CD1-CD2 4.17Å; F14-L101 HydrophobicContact CD1-CG 4.46Å; F14-L101 HydrophobicContact CD2-CB 3.94Å; F14-L101 HydrophobicContact CD2-CD1 3.86Å; F14-L101 HydrophobicContact CD2-CG 4.45Å; F14-L101 HydrophobicContact CE1-CB 3.81Å; F14-L101 HydrophobicContact CE2-CB 3.75Å; F14-L101 HydrophobicContact CE2-CD1 4.45Å; F14-L101 HydrophobicContact CG-CB 4.09Å; F14-L101 HydrophobicContact CG-CD1 3.91Å; F14-L101 HydrophobicContact CG-CD2 4.33Å; F14-L101 HydrophobicContact CG-CG 4.35Å; F14-L101 HydrophobicContact CZ-CB 3.71Å; F14-G102 WeakPolarHBondContact CE1-O 3.23Å; F14-L121 HydrophobicContact CD2-CD2 3.57Å; F14-L121 HydrophobicContact CE2-CD2 3.9Å; F14-F126 HydrophobicContact CB-CZ 4.5Å; F14-W215 HydrophobicContact CE2-CH2 4.3Å; F14-W215 HydrophobicContact CE2-CZ2 4.02Å; F14-M242 HydrophobicContact CD2-SD 4.16Å; F14-M242 HydrophobicContact CE2-CE 4.3Å; F14-M242 HydrophobicContact CE2-SD 4.22Å
15I98Very high96.9Very high11 Ų1156.9 Ų56.96%0.05628%0.279CS..Hα-helixtrans-62.7-45.4-178.6-68.1166.6000110.8R11 Q12 F18 K19 Y25R11-I15 HydrophobicContact CG-CD1 4.15Å; R11-I15 WeakPolarHBondContact O-CG1 3.44Å; R11-I15 PolarHBondContact O-N 2.84Å; R11-I15 VanDerWaalsContact O-N 3.14Å; Q12-I15 PolarHBondContact O-N 3.45Å; I15-F18 PolarHBondContact O-N 3.21Å; I15-K19 HydrophobicContact CG2-CD 3.73Å; I15-K19 HydrophobicContact CG2-CG 4.41Å; I15-K19 VanDerWaalsContact O-CG 3.31Å; I15-K19 WeakPolarHBondContact O-CG 3.22Å; I15-K19 PolarHBondContact O-N 2.68Å; I15-Y25 HydrophobicContact CD1-CD2 4.24Å; I15-Y25 HydrophobicContact CD1-CE2 3.9Å; I15-Y25 HydrophobicContact CG1-CD2 4.41Å; I15-Y25 HydrophobicContact CG1-CE2 4.5Å; I15-Y25 HydrophobicContact CG2-CD2 3.75Å; I15-Y25 HydrophobicContact CG2-CE2 4.45Å; I15-Y25 HydrophobicContact CG2-CG 4.37Å
16D98.3Very high97.1Very high55 Ų5556.6 Ų56.629%0.29428%0.278SS..Hα-helixtrans-67.5-40.6-178.9-71.5-30.9000112Q12 R13 F14 F18 K19 D20Q12-D16 WeakPolarHBondContact CG-OD2 3.41Å; Q12-D16 PolarHBondContact NE2-OD1 3.43Å; Q12-D16 VanDerWaalsContact NE2-OD1 3.1Å; Q12-D16 PolarHBondContact NE2-OD2 3.13Å; Q12-D16 WeakPolarHBondContact O-CB 3.34Å; Q12-D16 PolarHBondContact O-N 2.86Å; R13-D16 PolarHBondContact O-N 3.29Å; F14-D16 PolarHBondContact O-N 3.24Å; D16-F18 VanDerWaalsContact C-N 3.32Å; D16-F18 PolarHBondContact O-N 3.09Å; D16-K19 WeakPolarHBondContact O-CB 3.21Å; D16-K19 PolarHBondContact O-N 2.68Å; D16-K19 IonicContact OD1-NZ 3.33Å; D16-K19 PolarHBondContact OD1-NZ 3.12Å; D16-K19 VanDerWaalsContact OD1-NZ 3.15Å; D16-D20 PolarHBondContact O-N 3.18Å
17F98.6Very high97Very high19 Ų1957.8 Ų57.88%0.08328%0.28CS..Hα-helixtrans-56-45.5173.3174.4-96.2000112.2R13 F14 D20 N21 L117 D120 L121 E125R13-F17 VanDerWaalsContact O-CB 3.3Å; R13-F17 WeakPolarHBondContact O-CB 3.37Å; R13-F17 PolarHBondContact O-N 3.37Å; F14-F17 PolarHBondContact O-N 2.95Å; F17-D20 PolarHBondContact O-N 3.39Å; F17-N21 PolarHBondContact O-N 2.98Å; F17-N21 VanDerWaalsContact O-N 3.11Å; F17-N21 PolarHBondContact O-ND2 3.44Å; F17-L117 HydrophobicContact CE1-CB 4.32Å; F17-L117 HydrophobicContact CE1-CD2 4.16Å; F17-L117 HydrophobicContact CZ-CD2 4.06Å; F17-D120 HydrophobicContact CZ-CB 4.16Å; F17-L121 HydrophobicContact CB-CD1 3.75Å; F17-L121 HydrophobicContact CD1-CB 4.06Å; F17-L121 HydrophobicContact CD1-CD1 3.65Å; F17-L121 HydrophobicContact CD1-CD2 4.42Å; F17-L121 HydrophobicContact CD1-CG 4.25Å; F17-L121 HydrophobicContact CD2-CD1 4.1Å; F17-L121 HydrophobicContact CE1-CB 3.75Å; F17-L121 HydrophobicContact CE1-CD1 4.24Å; F17-L121 HydrophobicContact CE1-CG 4.44Å; F17-L121 HydrophobicContact CE2-CB 4.47Å; F17-L121 HydrophobicContact CG-CD1 3.56Å; F17-L121 HydrophobicContact CZ-CB 3.96Å; F17-E125 HydrophobicContact CD2-CG 3.45Å; F17-E125 VanDerWaalsContact CD2-CG 3.45Å; F17-E125 HydrophobicContact CE2-CG 3.83Å; F17-E125 HydrophobicContact CG-CG 4.28Å
18F98.4Very high97Very high2 Ų258 Ų581%0.00928%0.281CS..Hα-helixtrans-72.8-32.4179.4-83.7-71.8000112.6F14 I15 D16 N21 K22 H23 T70 S103 L117 L121 W215F14-F18 HydrophobicContact CD1-CD2 4.12Å; F14-F18 HydrophobicContact CD2-CD2 4.32Å; F14-F18 HydrophobicContact CD2-CE2 4.08Å; F14-F18 AromaticContact CE1-CD2 3.76Å; F14-F18 HydrophobicContact CE1-CD2 3.76Å; F14-F18 HydrophobicContact CE1-CE2 4.06Å; F14-F18 AromaticContact CE2-CD2 3.97Å; F14-F18 HydrophobicContact CE2-CD2 3.97Å; F14-F18 AromaticContact CE2-CE2 3.47Å; F14-F18 HydrophobicContact CE2-CE2 3.47Å; F14-F18 VanDerWaalsContact CE2-CE2 3.47Å; F14-F18 HydrophobicContact CG-CD2 4.36Å; F14-F18 AromaticContact CZ-CD2 3.66Å; F14-F18 HydrophobicContact CZ-CD2 3.66Å; F14-F18 AromaticContact CZ-CE2 3.44Å; F14-F18 HydrophobicContact CZ-CE2 3.44Å; F14-F18 VanDerWaalsContact CZ-CE2 3.44Å; F14-F18 HydrophobicContact CZ-CZ 4.48Å; F14-F18 WeakPolarHBondContact O-CD2 3.23Å; F14-F18 PolarHBondContact O-N 2.95Å; I15-F18 PolarHBondContact O-N 3.21Å; D16-F18 VanDerWaalsContact C-N 3.32Å; D16-F18 PolarHBondContact O-N 3.09Å; F18-N21 CarbonylContact O-C 3.6Å; F18-N21 WeakPolarHBondContact O-CA 3.25Å; F18-N21 PolarHBondContact O-N 2.81Å; F18-N21 VanDerWaalsContact O-N 3.14Å; F18-K22 PolarHBondContact O-N 2.71Å; F18-H23 HydrophobicContact CB-CB 4.04Å; F18-H23 AromaticContact CD1-CE1 3.59Å; F18-H23 AromaticContact CD1-CG 3.96Å; F18-H23 AromaticContact CD1-ND1 3.66Å; F18-H23 AromaticContact CD1-NE2 3.85Å; F18-H23 VanDerWaalsContact O-CB 3.24Å; F18-H23 WeakPolarHBondContact O-CB 3.47Å; F18-H23 PolarHBondContact O-N 3.4Å; F18-H23 PolarHBondContact O-ND1 3.49Å; F18-T70 HydrophobicContact CB-CG2 3.74Å; F18-S103 WeakPolarHBondContact CE1-OG 3.37Å; F18-S103 VanDerWaalsContact CZ-OG 3.22Å; F18-S103 WeakPolarHBondContact CZ-OG 3.2Å; F18-L117 HydrophobicContact CE1-CB 4.33Å; F18-L117 HydrophobicContact CE1-CD1 4.14Å; F18-L121 HydrophobicContact CE2-CD2 3.98Å; F18-W215 HydrophobicContact CE2-CH2 4.04Å; F18-W215 HydrophobicContact CE2-CZ2 4.13Å; F18-W215 AromaticContact CZ-CH2 3.86Å; F18-W215 HydrophobicContact CZ-CH2 3.86Å; F18-W215 AromaticContact CZ-CZ2 3.92Å; F18-W215 HydrophobicContact CZ-CZ2 3.92Å
19K98Very high96.8Very high94 Ų9456.3 Ų56.341%0.40927%0.269SS..Hα-helixtrans-62.8-43.3171.2-76.2166.562.6-161.50112.2I15 D16 N21 K22 H23I15-K19 HydrophobicContact CG2-CD 3.73Å; I15-K19 HydrophobicContact CG2-CG 4.41Å; I15-K19 VanDerWaalsContact O-CG 3.31Å; I15-K19 WeakPolarHBondContact O-CG 3.22Å; I15-K19 PolarHBondContact O-N 2.68Å; D16-K19 WeakPolarHBondContact O-CB 3.21Å; D16-K19 PolarHBondContact O-N 2.68Å; D16-K19 IonicContact OD1-NZ 3.33Å; D16-K19 PolarHBondContact OD1-NZ 3.12Å; D16-K19 VanDerWaalsContact OD1-NZ 3.15Å; K19-N21 PolarHBondContact O-N 3.06Å; K19-K22 WeakPolarHBondContact O-CA 3.27Å; K19-K22 PolarHBondContact O-N 3.3Å; K19-H23 WeakPolarHBondContact CA-O 3.46Å
20D97.8Very high96.6Very high139 Ų13953.5 Ų53.574%0.74326%0.26SS*.Hα-helixtrans-62.3-29.3174.2-70.1-15.6000111.3D16 F17 K22D16-D20 PolarHBondContact O-N 3.18Å; F17-D20 PolarHBondContact O-N 3.39Å; D20-K22 VanDerWaalsContact C-N 3.26Å; D20-K22 PolarHBondContact O-N 3.32Å
21N97.4Very high96.4Very high50 Ų5053.5 Ų53.527%0.26726%0.26SS..THydrogen-bonded Turntrans-88.226.2170.4-72.2-77.2000114.2F17 F18 K19 H23 R68 L117F17-N21 PolarHBondContact O-N 2.98Å; F17-N21 VanDerWaalsContact O-N 3.11Å; F17-N21 PolarHBondContact O-ND2 3.44Å; F18-N21 CarbonylContact O-C 3.6Å; F18-N21 WeakPolarHBondContact O-CA 3.25Å; F18-N21 PolarHBondContact O-N 2.81Å; F18-N21 VanDerWaalsContact O-N 3.14Å; K19-N21 PolarHBondContact O-N 3.06Å; N21-H23 VanDerWaalsContact C-N 3.33Å; N21-H23 PolarHBondContact O-N 3.11Å; N21-H23 PolarHBondContact O-ND1 3.1Å; N21-H23 VanDerWaalsContact O-ND1 3.08Å; N21-R68 PolarHBondContact O-NH1 3.27Å; N21-L117 HydrophobicContact CB-CD2 4.1Å; N21-L117 VanDerWaalsContact CG-CD2 3.47Å; N21-L117 VanDerWaalsContact OD1-CD2 3.29Å; N21-L117 WeakPolarHBondContact OD1-CD2 3.48Å
22K97.2Very high95.8Very high170 Ų17054 Ų5474%0.73926%0.264SS*.THydrogen-bonded Turntrans65.223.3173.2-50.5-179.2180179.40115.7F18 K19 D20F18-K22 PolarHBondContact O-N 2.71Å; K19-K22 WeakPolarHBondContact O-CA 3.27Å; K19-K22 PolarHBondContact O-N 3.3Å; D20-K22 VanDerWaalsContact C-N 3.26Å; D20-K22 PolarHBondContact O-N 3.32Å
23H97.9Very high94.9Very high6 Ų650.6 Ų50.63%0.02825%0.25CS..PPolyproline II helixtrans-84.1139.2170.4-62.164000110F18 K19 N21 R68 A69 T70 Y109F18-H23 HydrophobicContact CB-CB 4.04Å; F18-H23 AromaticContact CD1-CE1 3.59Å; F18-H23 AromaticContact CD1-CG 3.96Å; F18-H23 AromaticContact CD1-ND1 3.66Å; F18-H23 AromaticContact CD1-NE2 3.85Å; F18-H23 VanDerWaalsContact O-CB 3.24Å; F18-H23 WeakPolarHBondContact O-CB 3.47Å; F18-H23 PolarHBondContact O-N 3.4Å; F18-H23 PolarHBondContact O-ND1 3.49Å; K19-H23 WeakPolarHBondContact CA-O 3.46Å; N21-H23 VanDerWaalsContact C-N 3.33Å; N21-H23 PolarHBondContact O-N 3.11Å; N21-H23 PolarHBondContact O-ND1 3.1Å; N21-H23 VanDerWaalsContact O-ND1 3.08Å; H23-R68 HydrophobicContact CB-CB 4.29Å; H23-A69 PolarHBondContact CD2-O 3.03Å; H23-T70 HydrophobicContact CB-CG2 3.84Å; H23-Y109 AromaticContact CE1-CE1 3.83Å; H23-Y109 AromaticContact NE2-CE1 3.47Å; H23-Y109 WeakPolarHBondContact NE2-CE1 3.43Å; H23-Y109 AromaticContact NE2-CZ 3.67Å; H23-Y109 PolarHBondContact NE2-OH 3.17Å
24T97.3Very high93.1Very high78 Ų7849.8 Ų49.848%0.47925%0.254SS..EExtended strand (participates in β ladder)trans-82128.6172.4-57.30000109.1V26 L66 R68 A69 T70T24-V26 PolarHBondContact O-N 3.35Å; T24-L66 HydrophobicContact CG2-CD2 4Å; T24-R68 PolarHBondContact N-O 3.47Å; T24-A69 CarbonylContact O-C 3.54Å; T24-A69 VanDerWaalsContact O-CA 3.28Å; T24-A69 WeakPolarHBondContact O-CA 3.43Å; T24-T70 PolarHBondContact O-N 3.48Å
25Y96.6Very high91.2Very high92 Ų9256.9 Ų56.936%0.36129%0.291SS..EExtended strand (participates in β ladder)trans-67.9126.7169.3173.5-100.9000109.7I15 H27 T70 N71I15-Y25 HydrophobicContact CD1-CD2 4.24Å; I15-Y25 HydrophobicContact CD1-CE2 3.9Å; I15-Y25 HydrophobicContact CG1-CD2 4.41Å; I15-Y25 HydrophobicContact CG1-CE2 4.5Å; I15-Y25 HydrophobicContact CG2-CD2 3.75Å; I15-Y25 HydrophobicContact CG2-CE2 4.45Å; I15-Y25 HydrophobicContact CG2-CG 4.37Å; Y25-H27 HydrophobicContact CE1-CB 4.36Å; Y25-H27 PolarHBondContact OH-ND1 3.09Å; Y25-T70 WeakPolarHBondContact CA-O 3.38Å; Y25-N71 HydrophobicContact CE2-CB 4.27Å
26V94.9Very high89.6Confident23 Ų2357.2 Ų57.214%0.13929%0.294CS..  trans-119.1126.8174.7-178.20000107.5T24 F49 L63 L66 A69 T70 N71T24-V26 PolarHBondContact O-N 3.35Å; V26-F49 HydrophobicContact CB-CE1 4.4Å; V26-F49 HydrophobicContact CB-CZ 4.11Å; V26-F49 HydrophobicContact CG1-CE1 4.12Å; V26-F49 HydrophobicContact CG1-CZ 4.14Å; V26-F49 HydrophobicContact CG2-CE1 4.34Å; V26-F49 HydrophobicContact CG2-CZ 4.34Å; V26-L63 HydrophobicContact CG1-CD2 4.11Å; V26-L66 HydrophobicContact CG2-CD1 3.82Å; V26-L66 HydrophobicContact CG2-CD2 4.42Å; V26-A69 HydrophobicContact CG2-CB 3.98Å; V26-T70 PolarHBondContact N-O 3.49Å; V26-T70 VanDerWaalsContact N-O 3.14Å; V26-N71 WeakPolarHBondContact O-CB 3.46Å
27H94.1Very high87.9Confident81 Ų8160.6 Ų60.638%0.37532%0.318SS..PPolyproline II helixtrans-62.5150.1179.8-170.164.2000111.4Y25 S29 Q48 E363Y25-H27 HydrophobicContact CE1-CB 4.36Å; Y25-H27 PolarHBondContact OH-ND1 3.09Å; H27-S29 PolarHBondContact O-N 3.33Å; H27-Q48 PolarHBondContact O-OE1 3.17Å; H27-E363 IonicContact NE2-OE2 2.79Å
28S94.1Very high86.4Confident9 Ų963.2 Ų63.26%0.06334%0.336CS..PPolyproline II helixtrans-56.3137.4179.3-175.70000111.2T72 Q73 K74S28-T72 WeakPolarHBondContact CB-O 3.35Å; S28-Q73 VanDerWaalsContact OG-CD 3.24Å; S28-Q73 PolarHBondContact OG-NE2 3.39Å; S28-Q73 VanDerWaalsContact OG-NE2 3.12Å; S28-Q73 PolarHBondContact OG-OE1 3.03Å; S28-K74 WeakPolarHBondContact OG-CE 3.33Å; S28-K74 PolarHBondContact OG-N 2.72Å
29S91.8Very high85.3Confident35 Ų3563.9 Ų63.925%0.24534%0.339CS..PPolyproline II helixtrans-72.1166.3167.774.30000111.2H27 Q73 K74H27-S29 PolarHBondContact O-N 3.33Å; S29-Q73 PolarHBondContact O-NE2 3.3Å; S29-Q73 VanDerWaalsContact O-NE2 3.08Å; S29-Q73 PolarHBondContact OG-NE2 2.84Å; S29-K74 WeakPolarHBondContact O-CE 3.47Å
30S91.6Very high84.5Confident35 Ų3562.3 Ų62.325%0.24534%0.335CS..PPolyproline II helixtrans-52.6144.2166.3176.80000111.1I32 D311S30-I32 PolarHBondContact O-N 3.37Å; S30-I32 PolarHBondContact OG-N 3.38Å; S30-I32 PolarHBondContact OG-O 2.88Å; S30-D311 WeakPolarHBondContact OG-CB 3.22Å
31T91.3Very high84.1Confident0 Ų056 Ų560%030%0.301CS..SBendtrans-63.2-14168.251.40000112.5P33 F41 A42 K74 I76 D311T31-P33 WeakPolarHBondContact O-CD 3.45Å; T31-F41 CarbonylContact O-C 3.43Å; T31-F41 WeakPolarHBondContact O-CA 3.23Å; T31-F41 WeakPolarHBondContact O-CB 3.45Å; T31-A42 PolarHBondContact O-N 3.03Å; T31-K74 HydrophobicContact CG2-CB 3.53Å; T31-K74 HydrophobicContact CG2-CD 4.31Å; T31-I76 HydrophobicContact CG2-CD1 3.87Å; T31-I76 HydrophobicContact CG2-CG1 4.03Å; T31-D311 WeakPolarHBondContact CB-OD2 3.38Å; T31-D311 WeakPolarHBondContact CG2-OD2 3.19Å; T31-D311 PolarHBondContact N-OD2 2.99Å; T31-D311 WeakPolarHBondContact OG1-CB 3.41Å; T31-D311 PolarHBondContact OG1-OD2 3.3Å
32I85.8Confident83.8Confident29 Ų2953.6 Ų53.615%0.14929%0.289CS..SBendtrans-107.1106.1178.7-66.8177.3000107.7S30 L34 F41S30-I32 PolarHBondContact O-N 3.37Å; S30-I32 PolarHBondContact OG-N 3.38Å; S30-I32 PolarHBondContact OG-O 2.88Å; I32-L34 PolarHBondContact O-N 3.35Å; I32-F41 HydrophobicContact CG1-CD1 4.38Å
33P78.7Confident83.4Confident22 Ų2246.3 Ų46.314%0.14326%0.258CS..  trans-61.9132.4176.4-22.533.5000110.5T31 D36 L39 R320T31-P33 WeakPolarHBondContact O-CD 3.45Å; P33-D36 HydrophobicContact CB-CB 3.89Å; P33-L39 HydrophobicContact CG-CB 4.16Å; P33-R320 PolarHBondContact O-NH1 3.42Å
34L58.7Low83.1Confident96 Ų9646.1 Ų46.150%0.50326%0.257SS..SBendtrans-75.6-48.8-177.7-143.695.6000112I32 D687I32-L34 PolarHBondContact O-N 3.35Å; L34-D687 HydrophobicContact CD1-CB 3.4Å; L34-D687 VanDerWaalsContact CD1-CB 3.4Å; L34-D687 WeakPolarHBondContact CD1-O 3.32Å; L34-D687 VanDerWaalsContact CD2-O 3.3Å; L34-D687 WeakPolarHBondContact CD2-O 3.3Å
35D57.8Low82.8Confident148 Ų14842.4 Ų42.479%0.79123%0.234SC*.SBendtrans-120.926.2-169.2-65-46.5000113.2
36D66.1Low82.6Confident19 Ų1938 Ų3810%0.10222%0.217CC..  trans-12296.3177.6-160.5-21.8000111.6P33 T38 L39 K50P33-D36 HydrophobicContact CB-CB 3.89Å; D36-T38 PolarHBondContact O-N 2.85Å; D36-T38 VanDerWaalsContact OD1-CB 3.32Å; D36-T38 WeakPolarHBondContact OD1-CB 3.43Å; D36-T38 PolarHBondContact OD1-N 3.12Å; D36-T38 PolarHBondContact OD1-OG1 2.87Å; D36-L39 PolarHBondContact O-N 2.85Å; D36-K50 IonicContact OD1-NZ 2.66Å; D36-K50 PolarHBondContact OD1-NZ 3.06Å; D36-K50 VanDerWaalsContact OD2-CD 3.3Å; D36-K50 WeakPolarHBondContact OD2-CD 3.26Å; D36-K50 IonicContact OD2-NZ 3.87Å; D36-K50 PolarHBondContact OD2-NZ 2.84Å
37P62.5Low82.4Confident125 Ų12537.7 Ų37.781%0.81222%0.215SC*.THydrogen-bonded Turntrans-71.3-9.7178.131-35.2000112.7
38T67.2Low82.1Confident74 Ų7435.3 Ų35.345%0.45420%0.204SC..THydrogen-bonded Turntrans-82.8-13.1-178.971.60000113.1D36 K50D36-T38 PolarHBondContact O-N 2.85Å; D36-T38 VanDerWaalsContact OD1-CB 3.32Å; D36-T38 WeakPolarHBondContact OD1-CB 3.43Å; D36-T38 PolarHBondContact OD1-N 3.12Å; D36-T38 PolarHBondContact OD1-OG1 2.87Å; T38-K50 PolarHBondContact OG1-NZ 3.04Å
39L74.9Confident82Confident16 Ų1634.9 Ų34.98%0.08420%0.201CC..  trans-125.3137.5-176-64.7176.3000112.2P33 D36 N47 M178P33-L39 HydrophobicContact CG-CB 4.16Å; D36-L39 PolarHBondContact O-N 2.85Å; L39-N47 HydrophobicContact CD1-CB 4.48Å; L39-N47 WeakPolarHBondContact CD1-ND2 3.39Å; L39-M178 HydrophobicContact CD1-CG 4.28Å; L39-M178 HydrophobicContact CD1-SD 3.93Å
40L81.8Confident81.8Confident61 Ų6134.4 Ų34.432%0.31919%0.194SC..SBendtrans-77.6-41171.3-66.1179.2000111.6R320 V323L40-R320 HydrophobicContact CB-CB 4.24Å; L40-R320 HydrophobicContact CD2-CB 4.25Å; L40-R320 PolarHBondContact O-NH1 2.81Å; L40-V323 HydrophobicContact CD1-CG2 4.1Å
41F88.9Confident81.6Confident6 Ų635.1 Ų35.13%0.02620%0.198CC..SBendtrans-139.3158.8178.1-56.9-78000110.2T31 I32 N43 I76 R320 V323 L324T31-F41 CarbonylContact O-C 3.43Å; T31-F41 WeakPolarHBondContact O-CA 3.23Å; T31-F41 WeakPolarHBondContact O-CB 3.45Å; I32-F41 HydrophobicContact CG1-CD1 4.38Å; F41-N43 PolarHBondContact O-N 3.23Å; F41-N43 VanDerWaalsContact O-N 3.15Å; F41-I76 HydrophobicContact CB-CB 3.84Å; F41-I76 HydrophobicContact CB-CG2 4.23Å; F41-I76 HydrophobicContact CD1-CB 4.46Å; F41-I76 HydrophobicContact CD1-CD1 4.03Å; F41-I76 HydrophobicContact CD1-CG2 4.45Å; F41-I76 HydrophobicContact CD2-CB 4.5Å; F41-I76 HydrophobicContact CD2-CG2 3.96Å; F41-I76 HydrophobicContact CE1-CD1 4.46Å; F41-I76 HydrophobicContact CE2-CG2 4.47Å; F41-I76 HydrophobicContact CG-CB 4.03Å; F41-I76 HydrophobicContact CG-CD1 4.46Å; F41-I76 HydrophobicContact CG-CG2 3.96Å; F41-R320 HydrophobicContact CE1-CB 4.12Å; F41-R320 HydrophobicContact CE2-CB 4.23Å; F41-R320 HydrophobicContact CZ-CB 3.78Å; F41-V323 HydrophobicContact CE2-CB 3.83Å; F41-V323 HydrophobicContact CE2-CG1 3.79Å; F41-V323 HydrophobicContact CE2-CG2 4.32Å; F41-V323 HydrophobicContact CZ-CB 4.18Å; F41-V323 HydrophobicContact CZ-CG1 4.35Å; F41-L324 HydrophobicContact CE1-CD1 4.43Å; F41-L324 HydrophobicContact CE1-CD2 3.76Å; F41-L324 HydrophobicContact CE1-CG 4.09Å; F41-L324 HydrophobicContact CZ-CD2 3.66Å; F41-L324 HydrophobicContact CZ-CG 3.85Å
42A91Very high81.5Confident1 Ų136.3 Ų36.31%0.00820%0.204CC..  trans-63.5112.6166.200000108.7T31 N47 C75 I76T31-A42 PolarHBondContact O-N 3.03Å; A42-N47 VanDerWaalsContact CA-OD1 3.26Å; A42-N47 WeakPolarHBondContact CA-OD1 3.3Å; A42-N47 HydrophobicContact CB-CB 4.45Å; A42-C75 CarbonylContact O-C 3.17Å; A42-C75 VanDerWaalsContact O-CA 3.29Å; A42-C75 WeakPolarHBondContact O-CA 3.45Å; A42-I76 PolarHBondContact O-N 3.44Å
43N89.4Confident81.7Confident16 Ų1635.2 Ų35.29%0.08620%0.198CC..  trans-102.5-9.8-176.964.9-5.1000112.9F41 N47 M178F41-N43 PolarHBondContact O-N 3.23Å; F41-N43 VanDerWaalsContact O-N 3.15Å; N43-N47 PolarHBondContact N-OD1 3.42Å; N43-N47 PolarHBondContact OD1-ND2 3.29Å; N43-N47 PolarHBondContact OD1-OD1 3.05Å; N43-N47 VanDerWaalsContact OD1-OD1 3.13Å; N43-M178 PolarHBondContact ND2-O 3.49Å
44A91.2Very high82Confident2 Ų235.2 Ų35.22%0.01720%0.197CC..SBendtrans-148.4157.2-178.800000112.1M46 N47 M100 W176A44-M46 HydrophobicContact CB-CG 4.24Å; A44-M46 PolarHBondContact O-N 2.94Å; A44-N47 PolarHBondContact N-OD1 3.32Å; A44-N47 VanDerWaalsContact O-CG 3.3Å; A44-N47 PolarHBondContact O-N 3.5Å; A44-N47 PolarHBondContact O-OD1 2.69Å; A44-M100 HydrophobicContact CB-CE 4.34Å; A44-M100 HydrophobicContact CB-SD 4.32Å; A44-W176 HydrophobicContact CB-CH2 4.16Å; A44-W176 HydrophobicContact CB-CZ2 3.89Å
45G91.3Very high83.1Confident0 Ų033.6 Ų33.60%019%0.189CC..G310 helixtrans-59.5-33177.500000114N47 M100 W104G45-N47 VanDerWaalsContact C-N 3.3Å; G45-N47 PolarHBondContact O-N 3.04Å; G45-M100 PolarHBondContact N-SD 2.91Å; G45-W104 VanDerWaalsContact C-CZ2 3.4Å
46M91.4Very high84.2Confident0 Ų029.2 Ų29.20%017%0.167CC..G310 helixtrans-72.4-16.2-176.575.276.552.400114.8A44 Q48 F49 K50 F53 W176 M178 P183 I220 D239A44-M46 HydrophobicContact CB-CG 4.24Å; A44-M46 PolarHBondContact O-N 2.94Å; M46-Q48 VanDerWaalsContact C-N 3.28Å; M46-Q48 PolarHBondContact O-N 2.92Å; M46-F49 CarbonylContact O-C 3.52Å; M46-F49 WeakPolarHBondContact O-CA 3.42Å; M46-F49 PolarHBondContact O-N 3.28Å; M46-K50 PolarHBondContact O-N 3.42Å; M46-K50 VanDerWaalsContact O-N 3.15Å; M46-F53 HydrophobicContact CB-CE2 3.86Å; M46-F53 HydrophobicContact CB-CZ 4.42Å; M46-F53 HydrophobicContact CE-CD2 3.35Å; M46-F53 HydrophobicContact CE-CE2 3.54Å; M46-F53 HydrophobicContact CE-CG 4.26Å; M46-W176 HydrophobicContact CG-CH2 3.65Å; M46-W176 HydrophobicContact CG-CZ3 4.09Å; M46-W176 HydrophobicContact SD-CH2 4.15Å; M46-W176 HydrophobicContact SD-CZ3 4.43Å; M46-M178 HydrophobicContact CE-CE 4.48Å; M46-M178 HydrophobicContact SD-CB 4.34Å; M46-M178 HydrophobicContact SD-CE 4Å; M46-M178 HydrophobicContact SD-CG 4.18Å; M46-M178 HydrophobicContact SD-SD 3.48Å; M46-P183 HydrophobicContact CE-CB 4.17Å; M46-P183 HydrophobicContact CE-CG 4.17Å; M46-I220 HydrophobicContact CE-CD1 4.35Å; M46-D239 HydrophobicContact CB-CB 4.39Å; M46-D239 WeakPolarHBondContact CB-OD2 3.41Å; M46-D239 WeakPolarHBondContact CG-OD2 3.48Å
47N89.9Confident84.9Confident16 Ų1629.5 Ų29.59%0.08617%0.169CC..G310 helixtrans-56.9-41.5-172-62135.7000112L39 A42 N43 A44 G45 F49 K50 M178L39-N47 HydrophobicContact CD1-CB 4.48Å; L39-N47 WeakPolarHBondContact CD1-ND2 3.39Å; A42-N47 VanDerWaalsContact CA-OD1 3.26Å; A42-N47 WeakPolarHBondContact CA-OD1 3.3Å; A42-N47 HydrophobicContact CB-CB 4.45Å; N43-N47 PolarHBondContact N-OD1 3.42Å; N43-N47 PolarHBondContact OD1-ND2 3.29Å; N43-N47 PolarHBondContact OD1-OD1 3.05Å; N43-N47 VanDerWaalsContact OD1-OD1 3.13Å; A44-N47 PolarHBondContact N-OD1 3.32Å; A44-N47 VanDerWaalsContact O-CG 3.3Å; A44-N47 PolarHBondContact O-N 3.5Å; A44-N47 PolarHBondContact O-OD1 2.69Å; G45-N47 VanDerWaalsContact C-N 3.3Å; G45-N47 PolarHBondContact O-N 3.04Å; N47-F49 PolarHBondContact O-N 3.35Å; N47-K50 WeakPolarHBondContact O-CB 3.45Å; N47-K50 PolarHBondContact O-N 2.77Å; N47-M178 WeakPolarHBondContact ND2-CG 3.36Å; N47-M178 PolarHBondContact ND2-SD 3.39Å
48Q88.6Confident85.5Confident31 Ų3127.8 Ų27.815%0.14515%0.153CC..G310 helixtrans-67.1-18.4178.469.7-176.8-30.800114H27 M46 N71H27-Q48 PolarHBondContact O-OE1 3.17Å; M46-Q48 VanDerWaalsContact C-N 3.28Å; M46-Q48 PolarHBondContact O-N 2.92Å; Q48-N71 PolarHBondContact NE2-ND2 2.99Å
49F91.8Very high85.9Confident0 Ų029 Ų290%016%0.162CC..G310 helixtrans-106.53.9-179.5-54.3-61.7000112.9V26 M46 N47 P51 I52 F53 L63 L66 A69 W104 F106V26-F49 HydrophobicContact CB-CE1 4.4Å; V26-F49 HydrophobicContact CB-CZ 4.11Å; V26-F49 HydrophobicContact CG1-CE1 4.12Å; V26-F49 HydrophobicContact CG1-CZ 4.14Å; V26-F49 HydrophobicContact CG2-CE1 4.34Å; V26-F49 HydrophobicContact CG2-CZ 4.34Å; M46-F49 CarbonylContact O-C 3.52Å; M46-F49 WeakPolarHBondContact O-CA 3.42Å; M46-F49 PolarHBondContact O-N 3.28Å; N47-F49 PolarHBondContact O-N 3.35Å; F49-P51 VanDerWaalsContact C-CD 3.43Å; F49-P51 VanDerWaalsContact C-N 3.28Å; F49-I52 HydrophobicContact CB-CD1 4.19Å; F49-I52 HydrophobicContact CD1-CD1 3.79Å; F49-I52 HydrophobicContact CG-CD1 4.42Å; F49-I52 WeakPolarHBondContact O-CA 3.24Å; F49-I52 WeakPolarHBondContact O-CB 3.38Å; F49-I52 PolarHBondContact O-N 2.87Å; F49-F53 HydrophobicContact CB-CD2 4.19Å; F49-F53 HydrophobicContact CB-CE2 3.72Å; F49-F53 VanDerWaalsContact O-CD2 3.25Å; F49-F53 WeakPolarHBondContact O-CD2 3.24Å; F49-F53 PolarHBondContact O-N 3Å; F49-L63 HydrophobicContact CE1-CD2 4.33Å; F49-L66 HydrophobicContact CE1-CD1 4.25Å; F49-A69 HydrophobicContact CE1-CB 4.24Å; F49-A69 HydrophobicContact CE2-CB 4.46Å; F49-A69 HydrophobicContact CZ-CB 3.92Å; F49-W104 AromaticContact CD2-CD2 3.66Å; F49-W104 HydrophobicContact CD2-CD2 3.66Å; F49-W104 AromaticContact CD2-CE2 3.91Å; F49-W104 HydrophobicContact CD2-CE3 4.01Å; F49-W104 AromaticContact CD2-CG 3.96Å; F49-W104 HydrophobicContact CD2-CG 3.96Å; F49-W104 HydrophobicContact CD2-CZ2 4.49Å; F49-W104 AromaticContact CE2-CD2 3.45Å; F49-W104 HydrophobicContact CE2-CD2 3.45Å; F49-W104 VanDerWaalsContact CE2-CD2 3.45Å; F49-W104 AromaticContact CE2-CE2 3.86Å; F49-W104 AromaticContact CE2-CE3 3.29Å; F49-W104 HydrophobicContact CE2-CE3 3.29Å; F49-W104 HydrophobicContact CE2-CG 4.16Å; F49-W104 HydrophobicContact CE2-CH2 4.03Å; F49-W104 HydrophobicContact CE2-CZ2 4.17Å; F49-W104 AromaticContact CE2-CZ3 3.58Å; F49-W104 HydrophobicContact CE2-CZ3 3.58Å; F49-W104 HydrophobicContact CZ-CD2 4.49Å; F49-W104 HydrophobicContact CZ-CE3 4.02Å; F49-W104 HydrophobicContact CZ-CZ3 4.27Å; F49-F106 HydrophobicContact CB-CE1 3.76Å; F49-F106 HydrophobicContact CB-CZ 3.73Å; F49-F106 HydrophobicContact CD1-CE2 4.48Å; F49-F106 AromaticContact CD1-CZ 3.8Å; F49-F106 HydrophobicContact CD1-CZ 3.8Å; F49-F106 HydrophobicContact CD2-CZ 4.12Å; F49-F106 HydrophobicContact CE1-CZ 4.44Å; F49-F106 HydrophobicContact CG-CE1 4.17Å; F49-F106 AromaticContact CG-CZ 3.61Å; F49-F106 HydrophobicContact CG-CZ 3.61Å
50K87.8Confident85.7Confident26 Ų2630.5 Ų30.511%0.11317%0.174CC..Hα-helixtrans-47.4-44.5178.4-178.1179.8-179.2170.90112.7D36 T38 M46 N47 I52 F53 L54 M178D36-K50 IonicContact OD1-NZ 2.66Å; D36-K50 PolarHBondContact OD1-NZ 3.06Å; D36-K50 VanDerWaalsContact OD2-CD 3.3Å; D36-K50 WeakPolarHBondContact OD2-CD 3.26Å; D36-K50 IonicContact OD2-NZ 3.87Å; D36-K50 PolarHBondContact OD2-NZ 2.84Å; T38-K50 PolarHBondContact OG1-NZ 3.04Å; M46-K50 PolarHBondContact O-N 3.42Å; M46-K50 VanDerWaalsContact O-N 3.15Å; N47-K50 WeakPolarHBondContact O-CB 3.45Å; N47-K50 PolarHBondContact O-N 2.77Å; K50-I52 VanDerWaalsContact C-N 3.26Å; K50-I52 PolarHBondContact O-N 3Å; K50-F53 PolarHBondContact O-N 3.17Å; K50-L54 HydrophobicContact CD-CD1 4.44Å; K50-L54 HydrophobicContact CG-CD1 3.73Å; K50-L54 HydrophobicContact CG-CG 4.33Å; K50-L54 WeakPolarHBondContact O-CB 3.38Å; K50-L54 WeakPolarHBondContact O-CG 3.35Å; K50-L54 PolarHBondContact O-N 3.01Å; K50-M178 HydrophobicContact CD-CE 3.74Å; K50-M178 HydrophobicContact CD-SD 4.17Å; K50-M178 HydrophobicContact CG-CE 4.24Å
51P87.3Confident85.3Confident50 Ų5029.6 Ų29.633%0.32517%0.168SC..Hα-helixtrans-62.9-27.5176.9-24.836.8000114.7F49 N55 T56 I57F49-P51 VanDerWaalsContact C-CD 3.43Å; F49-P51 VanDerWaalsContact C-N 3.28Å; P51-N55 PolarHBondContact O-N 3.24Å; P51-N55 VanDerWaalsContact O-N 3.1Å; P51-T56 WeakPolarHBondContact CA-OG1 3.49Å; P51-T56 PolarHBondContact O-N 3.03Å; P51-T56 PolarHBondContact O-OG1 3.41Å; P51-I57 HydrophobicContact CB-CB 3.83Å; P51-I57 HydrophobicContact CB-CD1 4.46Å; P51-I57 HydrophobicContact CB-CG1 4.26Å; P51-I57 PolarHBondContact O-N 3.19Å; P51-I57 VanDerWaalsContact O-N 3.15Å
52I90.4Very high84.8Confident24 Ų2433.3 Ų33.312%0.12319%0.192CC..Hα-helixtrans-73.7-47.9176.7-49.9177000109.9F49 K50 L54 N55 I57 L63 F106F49-I52 HydrophobicContact CB-CD1 4.19Å; F49-I52 HydrophobicContact CD1-CD1 3.79Å; F49-I52 HydrophobicContact CG-CD1 4.42Å; F49-I52 WeakPolarHBondContact O-CA 3.24Å; F49-I52 WeakPolarHBondContact O-CB 3.38Å; F49-I52 PolarHBondContact O-N 2.87Å; K50-I52 VanDerWaalsContact C-N 3.26Å; K50-I52 PolarHBondContact O-N 3Å; I52-L54 PolarHBondContact O-N 3.45Å; I52-N55 PolarHBondContact O-N 3.39Å; I52-I57 HydrophobicContact CG1-CD1 3.82Å; I52-L63 HydrophobicContact CD1-CB 4.03Å; I52-F106 HydrophobicContact CB-CD1 4.02Å; I52-F106 HydrophobicContact CB-CE1 4.12Å; I52-F106 HydrophobicContact CB-CG 4.48Å; I52-F106 HydrophobicContact CD1-CD2 4.32Å; I52-F106 HydrophobicContact CD1-CE1 4.14Å; I52-F106 HydrophobicContact CD1-CE2 3.94Å; I52-F106 HydrophobicContact CD1-CZ 3.84Å; I52-F106 HydrophobicContact CG2-CB 3.83Å; I52-F106 HydrophobicContact CG2-CD1 3.5Å; I52-F106 HydrophobicContact CG2-CD2 4.15Å; I52-F106 HydrophobicContact CG2-CE1 4.07Å; I52-F106 HydrophobicContact CG2-CG 3.55Å
53F89.6Confident84.6Confident7 Ų735 Ų353%0.03120%0.201CC..Hα-helixtrans-60.2-37.5176.9-65.3-66.7000112.3M46 F49 K50 N55 W104 F106 P183 I220 D239M46-F53 HydrophobicContact CB-CE2 3.86Å; M46-F53 HydrophobicContact CB-CZ 4.42Å; M46-F53 HydrophobicContact CE-CD2 3.35Å; M46-F53 HydrophobicContact CE-CE2 3.54Å; M46-F53 HydrophobicContact CE-CG 4.26Å; F49-F53 HydrophobicContact CB-CD2 4.19Å; F49-F53 HydrophobicContact CB-CE2 3.72Å; F49-F53 VanDerWaalsContact O-CD2 3.25Å; F49-F53 WeakPolarHBondContact O-CD2 3.24Å; F49-F53 PolarHBondContact O-N 3Å; K50-F53 PolarHBondContact O-N 3.17Å; F53-N55 VanDerWaalsContact C-N 3.3Å; F53-W104 AromaticContact CZ-CD1 3.74Å; F53-F106 HydrophobicContact CD1-CD1 4.19Å; F53-F106 HydrophobicContact CD1-CE1 4.33Å; F53-F106 HydrophobicContact CD2-CE1 4.48Å; F53-F106 AromaticContact CE1-CD1 3.85Å; F53-F106 HydrophobicContact CE1-CD1 3.85Å; F53-F106 AromaticContact CE1-CE1 3.77Å; F53-F106 HydrophobicContact CE1-CE1 3.77Å; F53-F106 AromaticContact CE2-CE1 3.95Å; F53-F106 HydrophobicContact CE2-CE1 3.95Å; F53-F106 HydrophobicContact CZ-CD1 4.15Å; F53-F106 AromaticContact CZ-CE1 3.57Å; F53-F106 HydrophobicContact CZ-CE1 3.57Å; F53-P183 HydrophobicContact CB-CB 4.07Å; F53-P183 HydrophobicContact CB-CG 3.75Å; F53-I220 HydrophobicContact CD1-CD1 3.88Å; F53-I220 HydrophobicContact CD1-CG2 4.05Å; F53-I220 HydrophobicContact CD2-CD1 4.43Å; F53-I220 HydrophobicContact CE1-CD1 3.63Å; F53-I220 HydrophobicContact CE2-CD1 4.21Å; F53-I220 HydrophobicContact CG-CD1 4.26Å; F53-I220 HydrophobicContact CZ-CD1 3.8Å; F53-D239 HydrophobicContact CZ-CB 4.31Å
54L85.1Confident84.3Confident21 Ų2136 Ų3611%0.1121%0.212CC..THydrogen-bonded Turntrans-82.1-5.7178.2-65.4178.1000113.7K50 I52 T56 P183 N223 L233 I467K50-L54 HydrophobicContact CD-CD1 4.44Å; K50-L54 HydrophobicContact CG-CD1 3.73Å; K50-L54 HydrophobicContact CG-CG 4.33Å; K50-L54 WeakPolarHBondContact O-CB 3.38Å; K50-L54 WeakPolarHBondContact O-CG 3.35Å; K50-L54 PolarHBondContact O-N 3.01Å; I52-L54 PolarHBondContact O-N 3.45Å; L54-T56 HydrophobicContact CB-CG2 3.98Å; L54-T56 PolarHBondContact O-N 3.46Å; L54-P183 HydrophobicContact CD2-CG 3.64Å; L54-P183 HydrophobicContact CG-CG 3.84Å; L54-N223 VanDerWaalsContact CD2-OD1 3.25Å; L54-N223 WeakPolarHBondContact CD2-OD1 3.39Å; L54-L233 HydrophobicContact CD2-CD2 4.49Å; L54-I467 HydrophobicContact CB-CD1 4.49Å; L54-I467 HydrophobicContact CD1-CD1 4.37Å; L54-I467 HydrophobicContact CD2-CD1 4.16Å
55N81.4Confident84.1Confident62 Ų6243.9 Ų43.933%0.33225%0.246SC..THydrogen-bonded Turntrans56.326.3-175.2-161.245.3000113.9P51 I52 F53 R474P51-N55 PolarHBondContact O-N 3.24Å; P51-N55 VanDerWaalsContact O-N 3.1Å; I52-N55 PolarHBondContact O-N 3.39Å; F53-N55 VanDerWaalsContact C-N 3.3Å; N55-R474 PolarHBondContact O-NH1 2.74Å; N55-R474 VanDerWaalsContact O-NH1 3.12Å
56T80.1Confident84.1Confident56 Ų5645 Ų4534%0.34425%0.252SS..  trans-98.7-5.6-18055.30000113P51 L54 I467P51-T56 WeakPolarHBondContact CA-OG1 3.49Å; P51-T56 PolarHBondContact O-N 3.03Å; P51-T56 PolarHBondContact O-OG1 3.41Å; L54-T56 HydrophobicContact CB-CG2 3.98Å; L54-T56 PolarHBondContact O-N 3.46Å; T56-I467 HydrophobicContact CG2-CD1 4.34Å; T56-I467 HydrophobicContact CG2-CG1 4.01Å
57I82.3Confident84.2Confident25 Ų2549.7 Ų49.713%0.12828%0.277CS..SBendtrans-63.3140.2178.9-162.5161.2000111.9P51 I52 H61 L63 A64P51-I57 HydrophobicContact CB-CB 3.83Å; P51-I57 HydrophobicContact CB-CD1 4.46Å; P51-I57 HydrophobicContact CB-CG1 4.26Å; P51-I57 PolarHBondContact O-N 3.19Å; P51-I57 VanDerWaalsContact O-N 3.15Å; I52-I57 HydrophobicContact CG1-CD1 3.82Å; I57-H61 HydrophobicContact CD1-CB 4.19Å; I57-H61 HydrophobicContact CG1-CB 3.91Å; I57-L63 HydrophobicContact CD1-CB 3.64Å; I57-A64 HydrophobicContact CD1-CB 4.42Å; I57-A64 HydrophobicContact CG1-CB 4.35Å; I57-A64 HydrophobicContact CG2-CB 3.83Å
58D73.2Confident84.6Confident89 Ų8951 Ų5148%0.47628%0.28SS..  trans-62.4128.6173.7-172.6-52.3000110S60 H61 A64D58-S60 PolarHBondContact O-N 2.96Å; D58-S60 VanDerWaalsContact O-N 3.13Å; D58-S60 VanDerWaalsContact OD1-CB 3.29Å; D58-S60 WeakPolarHBondContact OD1-CB 3.35Å; D58-S60 PolarHBondContact OD1-N 3.24Å; D58-S60 PolarHBondContact OD1-OG 3.25Å; D58-H61 HydrophobicContact CB-CB 4.29Å; D58-H61 WeakPolarHBondContact O-CB 3.39Å; D58-H61 PolarHBondContact O-N 2.77Å; D58-A64 WeakPolarHBondContact O-CB 3.25Å
59P75.6Confident85Confident99 Ų9949.5 Ų49.564%0.64327%0.273SS*.THydrogen-bonded Turntrans-58.2-24.2179.8-25.634.9000115.1H61P59-H61 VanDerWaalsContact C-N 3.34Å
60S71.4Confident85.3Confident48 Ų4849.5 Ų49.534%0.33627%0.273SS..THydrogen-bonded Turntrans-78.4-18.6175.571.30000113D58D58-S60 PolarHBondContact O-N 2.96Å; D58-S60 VanDerWaalsContact O-N 3.13Å; D58-S60 VanDerWaalsContact OD1-CB 3.29Å; D58-S60 WeakPolarHBondContact OD1-CB 3.35Å; D58-S60 PolarHBondContact OD1-N 3.24Å; D58-S60 PolarHBondContact OD1-OG 3.25Å
61H74.2Confident85.7Confident43 Ų4348.2 Ų48.220%0.19927%0.268CS..SBendtrans-65.7136.6-177.6-165.5-82.3000111.1I57 D58 P59 L63 A64 T689I57-H61 HydrophobicContact CD1-CB 4.19Å; I57-H61 HydrophobicContact CG1-CB 3.91Å; D58-H61 HydrophobicContact CB-CB 4.29Å; D58-H61 WeakPolarHBondContact O-CB 3.39Å; D58-H61 PolarHBondContact O-N 2.77Å; P59-H61 VanDerWaalsContact C-N 3.34Å; H61-L63 VanDerWaalsContact C-N 3.25Å; H61-L63 VanDerWaalsContact CE1-CG 3.48Å; H61-L63 WeakPolarHBondContact CE1-CG 3.48Å; H61-L63 WeakPolarHBondContact ND1-CB 3.14Å; H61-L63 PolarHBondContact ND1-N 3.16Å; H61-L63 VanDerWaalsContact ND1-N 3.2Å; H61-L63 PolarHBondContact O-N 2.94Å; H61-L63 VanDerWaalsContact O-N 3.15Å; H61-A64 VanDerWaalsContact O-CB 3.24Å; H61-A64 WeakPolarHBondContact O-CB 3.47Å; H61-A64 PolarHBondContact O-N 2.88Å; H61-T689 VanDerWaalsContact NE2-CG2 3.26Å; H61-T689 WeakPolarHBondContact NE2-CG2 3.49Å
62P78.8Confident86.2Confident83 Ų8346 Ų4654%0.53925%0.253SS..G310 helixtrans-54.7-39-178.4-28.435000114.1A64 K65P62-A64 PolarHBondContact O-N 2.99Å; P62-K65 PolarHBondContact O-N 3.41Å
63L85Confident86.5Confident37 Ų3744.9 Ų44.919%0.19425%0.247CC..G310 helixtrans-65.6-21.7177.9-58.5177.9000113.7V26 F49 I52 I57 H61 K65 L66V26-L63 HydrophobicContact CG1-CD2 4.11Å; F49-L63 HydrophobicContact CE1-CD2 4.33Å; I52-L63 HydrophobicContact CD1-CB 4.03Å; I57-L63 HydrophobicContact CD1-CB 3.64Å; H61-L63 VanDerWaalsContact C-N 3.25Å; H61-L63 VanDerWaalsContact CE1-CG 3.48Å; H61-L63 WeakPolarHBondContact CE1-CG 3.48Å; H61-L63 WeakPolarHBondContact ND1-CB 3.14Å; H61-L63 PolarHBondContact ND1-N 3.16Å; H61-L63 VanDerWaalsContact ND1-N 3.2Å; H61-L63 PolarHBondContact O-N 2.94Å; H61-L63 VanDerWaalsContact O-N 3.15Å; L63-K65 PolarHBondContact O-N 2.82Å; L63-K65 VanDerWaalsContact O-N 3.17Å; L63-L66 HydrophobicContact CB-CD1 4.11Å; L63-L66 HydrophobicContact CD2-CD1 3.41Å; L63-L66 VanDerWaalsContact CD2-CD1 3.41Å; L63-L66 HydrophobicContact CG-CD1 4.36Å; L63-L66 WeakPolarHBondContact O-CB 3.42Å; L63-L66 PolarHBondContact O-N 2.82Å; L63-L66 VanDerWaalsContact O-N 3.08Å
64A84.7Confident86.8Confident37 Ų3744.6 Ų44.631%0.30625%0.246SC..G310 helixtrans-65.6-18.6179.700000112.9I57 D58 H61 P62I57-A64 HydrophobicContact CD1-CB 4.42Å; I57-A64 HydrophobicContact CG1-CB 4.35Å; I57-A64 HydrophobicContact CG2-CB 3.83Å; D58-A64 WeakPolarHBondContact O-CB 3.25Å; H61-A64 VanDerWaalsContact O-CB 3.24Å; H61-A64 WeakPolarHBondContact O-CB 3.47Å; H61-A64 PolarHBondContact O-N 2.88Å; P62-A64 PolarHBondContact O-N 2.99Å
65K86.8Confident87.3Confident168 Ų16843.6 Ų43.673%0.7324%0.241SC*.G310 helixtrans-89.9-1177.3-60.1178.6-175.7172.70113.3P62 L63P62-K65 PolarHBondContact O-N 3.41Å; L63-K65 PolarHBondContact O-N 2.82Å; L63-K65 VanDerWaalsContact O-N 3.17Å
66L91.4Very high87.9Confident24 Ų2440.8 Ų40.813%0.12623%0.226CC..  trans-79.3125.2-179.3-68.2174.7000111.1T24 V26 F49 L63 F106T24-L66 HydrophobicContact CG2-CD2 4Å; V26-L66 HydrophobicContact CG2-CD1 3.82Å; V26-L66 HydrophobicContact CG2-CD2 4.42Å; F49-L66 HydrophobicContact CE1-CD1 4.25Å; L63-L66 HydrophobicContact CB-CD1 4.11Å; L63-L66 HydrophobicContact CD2-CD1 3.41Å; L63-L66 VanDerWaalsContact CD2-CD1 3.41Å; L63-L66 HydrophobicContact CG-CD1 4.36Å; L63-L66 WeakPolarHBondContact O-CB 3.42Å; L63-L66 PolarHBondContact O-N 2.82Å; L63-L66 VanDerWaalsContact O-N 3.08Å; L66-F106 HydrophobicContact CB-CD2 4.1Å; L66-F106 HydrophobicContact CB-CE2 4.06Å; L66-F106 WeakPolarHBondContact O-CD2 3.38Å
67N93.3Very high88.4Confident98 Ų9841 Ų4152%0.52422%0.22SC..SBendtrans-97.5-30.3168.5-65.6-32.9000111.9F106 D108N67-F106 PolarHBondContact O-N 3.08Å; N67-D108 HydrophobicContact CB-CB 4.31Å
68R97.2Very high88.3Confident42 Ų4239.9 Ų39.916%0.15822%0.215CC..EExtended strand (participates in β ladder)trans-144141.3-179.8-63.2-177.6-171.3-163.7-5.1110N21 H23 T24 W104 D108 Y109N21-R68 PolarHBondContact O-NH1 3.27Å; H23-R68 HydrophobicContact CB-CB 4.29Å; T24-R68 PolarHBondContact N-O 3.47Å; R68-W104 CarbonylContact C-O 3.51Å; R68-W104 VanDerWaalsContact CA-O 3.22Å; R68-W104 WeakPolarHBondContact CA-O 3.39Å; R68-D108 HydrophobicContact CG-CB 4.4Å; R68-D108 IonicContact CZ-OD2 3.61Å; R68-D108 IonicContact NE-OD2 3.59Å; R68-D108 PolarHBondContact NE-OD2 3.13Å; R68-D108 IonicContact NH2-OD2 3.49Å; R68-D108 PolarHBondContact NH2-OD2 2.89Å; R68-Y109 HydrophobicContact CG-CD1 4.39Å; R68-Y109 HydrophobicContact CG-CE1 4.14Å
69A97.7Very high88Confident0 Ų036.8 Ų36.80%020%0.204CC..EExtended strand (participates in β ladder)trans-139.5154.1177.500000112.2H23 T24 V26 F49 S103 W104 F106H23-A69 PolarHBondContact CD2-O 3.03Å; T24-A69 CarbonylContact O-C 3.54Å; T24-A69 VanDerWaalsContact O-CA 3.28Å; T24-A69 WeakPolarHBondContact O-CA 3.43Å; V26-A69 HydrophobicContact CG2-CB 3.98Å; F49-A69 HydrophobicContact CE1-CB 4.24Å; F49-A69 HydrophobicContact CE2-CB 4.46Å; F49-A69 HydrophobicContact CZ-CB 3.92Å; A69-S103 CarbonylContact O-C 3.56Å; A69-S103 WeakPolarHBondContact O-CA 3.36Å; A69-W104 HydrophobicContact CB-CB 4.38Å; A69-W104 HydrophobicContact CB-CE3 4.01Å; A69-W104 PolarHBondContact N-O 2.83Å; A69-W104 PolarHBondContact O-N 2.88Å; A69-F106 HydrophobicContact CB-CE2 4.02Å; A69-F106 HydrophobicContact CB-CZ 4.46Å
70T98.1Very high87.5Confident0 Ų035.3 Ų35.30%021%0.207CC..EExtended strand (participates in β ladder)trans-144.7145.3170.8-173.40000111.1F14 F18 H23 T24 Y25 V26 G102F14-T70 WeakPolarHBondContact CE1-OG1 3.13Å; F18-T70 HydrophobicContact CB-CG2 3.74Å; H23-T70 HydrophobicContact CB-CG2 3.84Å; T24-T70 PolarHBondContact O-N 3.48Å; Y25-T70 WeakPolarHBondContact CA-O 3.38Å; V26-T70 PolarHBondContact N-O 3.49Å; V26-T70 VanDerWaalsContact N-O 3.14Å; T70-G102 VanDerWaalsContact CA-O 3.25Å; T70-G102 WeakPolarHBondContact CA-O 3.38Å; T70-G102 PolarHBondContact OG1-O 2.73Å
71N97.1Very high87.1Confident0 Ų038.7 Ų38.70%022%0.216CC..EExtended strand (participates in β ladder)trans-161.2-178.7173.786.1-7.8000113.3Y25 V26 Q48 Q73 G102 W104Y25-N71 HydrophobicContact CE2-CB 4.27Å; V26-N71 WeakPolarHBondContact O-CB 3.46Å; Q48-N71 PolarHBondContact NE2-ND2 2.99Å; N71-Q73 PolarHBondContact ND2-OE1 3.38Å; N71-Q73 PolarHBondContact OD1-N 2.95Å; N71-G102 PolarHBondContact N-O 3.29Å; N71-G102 VanDerWaalsContact N-O 3.12Å; N71-G102 PolarHBondContact O-N 3.34Å; N71-W104 HydrophobicContact CB-CZ3 4.28Å; N71-W104 WeakPolarHBondContact OD1-CH2 3.35Å; N71-W104 WeakPolarHBondContact OD1-CZ3 3.47Å
72T97Very high86.8Confident2 Ų239.2 Ų39.21%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-105.1117.8153.2179.90000107.4R11 S28 E99 F361R11-T72 HydrophobicContact CG-CG2 4.16Å; S28-T72 WeakPolarHBondContact CB-O 3.35Å; T72-E99 WeakPolarHBondContact OG1-CB 3.33Å; T72-E99 PolarHBondContact OG1-OE2 2.97Å; T72-F361 HydrophobicContact CG2-CE1 4.1Å; T72-F361 HydrophobicContact CG2-CZ 4Å
73Q96Very high86.8Confident1 Ų137.6 Ų37.61%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-98.2133.7178.8179.759.44100110.2S28 S29 N71 C75 M100S28-Q73 VanDerWaalsContact OG-CD 3.24Å; S28-Q73 PolarHBondContact OG-NE2 3.39Å; S28-Q73 VanDerWaalsContact OG-NE2 3.12Å; S28-Q73 PolarHBondContact OG-OE1 3.03Å; S29-Q73 PolarHBondContact O-NE2 3.3Å; S29-Q73 VanDerWaalsContact O-NE2 3.08Å; S29-Q73 PolarHBondContact OG-NE2 2.84Å; N71-Q73 PolarHBondContact ND2-OE1 3.38Å; N71-Q73 PolarHBondContact OD1-N 2.95Å; Q73-C75 PolarHBondContact O-N 3.06Å; Q73-M100 PolarHBondContact N-O 2.96Å; Q73-M100 PolarHBondContact O-N 2.8Å
74K96.2Very high86.9Confident2 Ų237 Ų371%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-68.3117.3167.3-62.9173.2-69-179.40109.8S28 S29 T31 F97 L307 D311 F361 E363S28-K74 WeakPolarHBondContact OG-CE 3.33Å; S28-K74 PolarHBondContact OG-N 2.72Å; S29-K74 WeakPolarHBondContact O-CE 3.47Å; T31-K74 HydrophobicContact CG2-CB 3.53Å; T31-K74 HydrophobicContact CG2-CD 4.31Å; K74-F97 HydrophobicContact CB-CE2 3.82Å; K74-F97 HydrophobicContact CG-CE2 4.13Å; K74-F97 HydrophobicContact CG-CZ 4.44Å; K74-L307 HydrophobicContact CD-CD2 3.38Å; K74-L307 HydrophobicContact CG-CD2 4.16Å; K74-D311 VanDerWaalsContact NZ-CG 3.26Å; K74-D311 IonicContact NZ-OD1 2.63Å; K74-D311 PolarHBondContact NZ-OD1 3Å; K74-D311 IonicContact NZ-OD2 3.57Å; K74-D311 PolarHBondContact NZ-OD2 2.88Å; K74-F361 HydrophobicContact CD-CD1 3.74Å; K74-F361 HydrophobicContact CD-CD2 4.35Å; K74-F361 HydrophobicContact CD-CE1 3.97Å; K74-F361 HydrophobicContact CD-CG 3.97Å; K74-F361 HydrophobicContact CD-CZ 4.38Å; K74-F361 HydrophobicContact CG-CD1 3.79Å; K74-F361 HydrophobicContact CG-CD2 4.25Å; K74-F361 HydrophobicContact CG-CE1 3.46Å; K74-F361 VanDerWaalsContact CG-CE1 3.46Å; K74-F361 HydrophobicContact CG-CE2 3.96Å; K74-F361 HydrophobicContact CG-CG 4.2Å; K74-F361 HydrophobicContact CG-CZ 3.56Å; K74-E363 WeakPolarHBondContact CE-OE1 3.34Å; K74-E363 IonicContact NZ-OE1 3.38Å; K74-E363 PolarHBondContact NZ-OE1 3.5Å
75C95.2Very high86.9Confident0 Ų035.3 Ų35.30%019%0.188CC..EExtended strand (participates in β ladder)trans-120.1134.2178.5-67.70000111.4A42 Q73 F97 F98A42-C75 CarbonylContact O-C 3.17Å; A42-C75 VanDerWaalsContact O-CA 3.29Å; A42-C75 WeakPolarHBondContact O-CA 3.45Å; Q73-C75 PolarHBondContact O-N 3.06Å; C75-F97 WeakPolarHBondContact O-CA 3.37Å; C75-F97 VanDerWaalsContact O-CD2 3.29Å; C75-F97 WeakPolarHBondContact O-CD2 3.37Å; C75-F98 HydrophobicContact CB-CD1 4.34Å; C75-F98 HydrophobicContact CB-CD2 4.46Å; C75-F98 HydrophobicContact CB-CE1 3.86Å; C75-F98 HydrophobicContact CB-CE2 4.02Å; C75-F98 HydrophobicContact CB-CZ 3.68Å; C75-F98 PolarHBondContact N-O 2.97Å; C75-F98 PolarHBondContact O-N 3.31Å; C75-F98 VanDerWaalsContact O-N 3.11Å
76I94.7Very high86.5Confident2 Ų230.2 Ų30.21%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-116123.7172.4-61.8178.8000109.3T31 F41 A42 A78 T96 F97 T304 A308T31-I76 HydrophobicContact CG2-CD1 3.87Å; T31-I76 HydrophobicContact CG2-CG1 4.03Å; F41-I76 HydrophobicContact CB-CB 3.84Å; F41-I76 HydrophobicContact CB-CG2 4.23Å; F41-I76 HydrophobicContact CD1-CB 4.46Å; F41-I76 HydrophobicContact CD1-CD1 4.03Å; F41-I76 HydrophobicContact CD1-CG2 4.45Å; F41-I76 HydrophobicContact CD2-CB 4.5Å; F41-I76 HydrophobicContact CD2-CG2 3.96Å; F41-I76 HydrophobicContact CE1-CD1 4.46Å; F41-I76 HydrophobicContact CE2-CG2 4.47Å; F41-I76 HydrophobicContact CG-CB 4.03Å; F41-I76 HydrophobicContact CG-CD1 4.46Å; F41-I76 HydrophobicContact CG-CG2 3.96Å; A42-I76 PolarHBondContact O-N 3.44Å; I76-A78 HydrophobicContact CG2-CB 4.01Å; I76-T96 CarbonylContact C-O 3.57Å; I76-T96 WeakPolarHBondContact CA-O 3.38Å; I76-F97 HydrophobicContact CG1-CD2 4.33Å; I76-T304 HydrophobicContact CD1-CG2 3.95Å; I76-T304 HydrophobicContact CG1-CG2 4.16Å; I76-T304 HydrophobicContact CG2-CG2 4.11Å; I76-A308 HydrophobicContact CD1-CB 3.93Å
77R90.9Very high86.2Confident60 Ų6032.4 Ų32.423%0.22618%0.18CC..  trans-112.678.9172.4-75.4-178.2-174.7-178.11.1109.9H82 D84 T96 F98R77-H82 HydrophobicContact CG-CB 4.19Å; R77-D84 HydrophobicContact CB-CB 4.4Å; R77-D84 VanDerWaalsContact CD-OD2 3.28Å; R77-D84 WeakPolarHBondContact CD-OD2 3.36Å; R77-D84 PolarHBondContact O-N 3.5Å; R77-D84 VanDerWaalsContact O-N 3.15Å; R77-T96 PolarHBondContact N-O 3.07Å; R77-F98 HydrophobicContact CB-CE1 4.45Å; R77-F98 HydrophobicContact CG-CE1 3.81Å; R77-F98 HydrophobicContact CG-CZ 4.49Å
78A79.6Confident86.1Confident2 Ų227.7 Ų27.72%0.01716%0.155CC..  trans-142.7111.1174.800000109.1I76 L85 V323 I327I76-A78 HydrophobicContact CG2-CB 4.01Å; A78-L85 HydrophobicContact CB-CB 4.42Å; A78-V323 HydrophobicContact CB-CG1 3.62Å; A78-V323 WeakPolarHBondContact O-CG1 3.33Å; A78-I327 HydrophobicContact CB-CD1 3.69Å; A78-I327 HydrophobicContact CB-CG1 4.45Å
79G66.8Low85.6Confident25 Ų2525.7 Ų25.726%0.25815%0.148SC..SBendtrans83.9160.5-173.800000115.1N83G79-N83 PolarHBondContact N-OD1 3.03Å
80G64.8Low85.1Confident68 Ų6829.6 Ų29.670%0.70117%0.165SC*.SBendtrans78.9-156.8-174.700000113.3
81K63.3Low84.7Confident118 Ų11830.9 Ų30.951%0.51317%0.172SC..SBendtrans-64.5-36.1-179.7-174.6-179.4-179.4-176.80113.1E177K81-E177 IonicContact NZ-OE2 3.53Å; K81-E177 PolarHBondContact NZ-OE2 3.17Å
82H68.4Low84.3Confident54 Ų5432.2 Ų32.225%0.2518%0.179CC..SBendtrans-108.5100.2178.8-60.3-70.6000109.4R77R77-H82 HydrophobicContact CG-CB 4.19Å
83N79.2Confident83.9Confident50 Ų5033.7 Ų33.727%0.26719%0.185SC..  trans-134.698.3-173.1177.238.9000111.2G79 L85G79-N83 PolarHBondContact N-OD1 3.03Å; N83-L85 VanDerWaalsContact C-N 3.33Å; N83-L85 VanDerWaalsContact OD1-CB 3.3Å; N83-L85 WeakPolarHBondContact OD1-CB 3.18Å; N83-L85 PolarHBondContact OD1-N 3.37Å
84D86.2Confident83.7Confident25 Ų2535.3 Ų35.313%0.13419%0.192CC..  trans-95.12.2-178.6-57.1-17.5000111.3R77 D86 D87 V88 H94R77-D84 HydrophobicContact CB-CB 4.4Å; R77-D84 VanDerWaalsContact CD-OD2 3.28Å; R77-D84 WeakPolarHBondContact CD-OD2 3.36Å; R77-D84 PolarHBondContact O-N 3.5Å; R77-D84 VanDerWaalsContact O-N 3.15Å; D84-D86 VanDerWaalsContact C-N 3.3Å; D84-D86 PolarHBondContact O-N 2.93Å; D84-D87 PolarHBondContact O-N 3.33Å; D84-D87 VanDerWaalsContact O-N 3.12Å; D84-V88 WeakPolarHBondContact O-CG2 3.34Å; D84-V88 PolarHBondContact O-N 3.45Å; D84-V88 VanDerWaalsContact O-N 3.14Å; D84-H94 HydrophobicContact CB-CB 4.46Å
85L85.4Confident83.6Confident1 Ų135.5 Ų35.51%0.00519%0.194CC..THydrogen-bonded Turntrans-53.7-48.6-174.1177.355.6000110.8A78 N83 D87 V88 T96 R326 I327 R330A78-L85 HydrophobicContact CB-CB 4.42Å; N83-L85 VanDerWaalsContact C-N 3.33Å; N83-L85 VanDerWaalsContact OD1-CB 3.3Å; N83-L85 WeakPolarHBondContact OD1-CB 3.18Å; N83-L85 PolarHBondContact OD1-N 3.37Å; L85-D87 PolarHBondContact O-N 3.13Å; L85-V88 PolarHBondContact O-N 2.9Å; L85-T96 HydrophobicContact CB-CG2 4.24Å; L85-T96 HydrophobicContact CD1-CG2 3.63Å; L85-R326 HydrophobicContact CD2-CG 4.12Å; L85-I327 HydrophobicContact CD1-CG1 3.92Å; L85-I327 HydrophobicContact CD2-CG1 4.19Å; L85-R330 PolarHBondContact O-NH1 3.31Å
86D78.8Confident83.6Confident61 Ų6135.5 Ų35.533%0.32619%0.194SC..THydrogen-bonded Turntrans-72-18.7-173.6-67-54.5000113.9D84 R326D84-D86 VanDerWaalsContact C-N 3.3Å; D84-D86 PolarHBondContact O-N 2.93Å; D86-R326 IonicContact OD1-CZ 2.93Å; D86-R326 IonicContact OD1-NH2 2.7Å; D86-R326 PolarHBondContact OD1-NH2 3.18Å; D86-R326 IonicContact OD2-CZ 3.51Å; D86-R326 IonicContact OD2-NH2 3.76Å; D86-R326 PolarHBondContact OD2-NH2 3.02Å
87D85.7Confident83.7Confident69 Ų6935.4 Ų35.437%0.36919%0.193SC..THydrogen-bonded Turntrans-88-29.7179.1-58.7-54.6000112.8D84 L85 G89 K90 H94D84-D87 PolarHBondContact O-N 3.33Å; D84-D87 VanDerWaalsContact O-N 3.12Å; L85-D87 PolarHBondContact O-N 3.13Å; D87-G89 PolarHBondContact O-N 3.24Å; D87-G89 VanDerWaalsContact O-N 3.16Å; D87-K90 WeakPolarHBondContact O-CB 3.31Å; D87-K90 PolarHBondContact O-N 3.06Å; D87-H94 HydrophobicContact CB-CB 4.12Å
88V89.8Confident83.9Confident0 Ų033.6 Ų33.60%019%0.187CC..THydrogen-bonded Turntrans-52.2125.8179.9171.40000111.8D84 L85 K90 T96 D300 R330D84-V88 WeakPolarHBondContact O-CG2 3.34Å; D84-V88 PolarHBondContact O-N 3.45Å; D84-V88 VanDerWaalsContact O-N 3.14Å; L85-V88 PolarHBondContact O-N 2.9Å; V88-K90 VanDerWaalsContact C-N 3.3Å; V88-K90 PolarHBondContact O-N 3.32Å; V88-T96 HydrophobicContact CB-CG2 4.47Å; V88-T96 HydrophobicContact CG2-CG2 3.76Å; V88-D300 HydrophobicContact CG1-CB 3.84Å; V88-D300 WeakPolarHBondContact CG1-OD2 3.13Å; V88-R330 PolarHBondContact O-NH2 2.74Å
89G86.1Confident84.8Confident0 Ų033.5 Ų33.50%019%0.186CC..THydrogen-bonded Turntrans88.3-21.1-179.400000114.8D87 M293 R296D87-G89 PolarHBondContact O-N 3.24Å; D87-G89 VanDerWaalsContact O-N 3.16Å; G89-M293 WeakPolarHBondContact O-CG 3.24Å; G89-R296 PolarHBondContact O-NE 2.81Å; G89-R296 PolarHBondContact O-NH2 3.48Å
90K87.8Confident86.2Confident82 Ų8233 Ų3336%0.35718%0.177SC..THydrogen-bonded Turntrans-76.5-35.8175.5-63.7-172.1177.8-169.20111.3D87 V88 M293 E430D87-K90 WeakPolarHBondContact O-CB 3.31Å; D87-K90 PolarHBondContact O-N 3.06Å; V88-K90 VanDerWaalsContact C-N 3.3Å; V88-K90 PolarHBondContact O-N 3.32Å; K90-M293 HydrophobicContact CG-CE 4.07Å; K90-E430 IonicContact NZ-OE1 2.75Å; K90-E430 PolarHBondContact NZ-OE1 3.18Å; K90-E430 IonicContact NZ-OE2 3.41Å; K90-E430 PolarHBondContact NZ-OE2 2.8Å
91D89.3Confident87.8Confident27 Ų2729.8 Ų29.814%0.14414%0.144CC..SBendtrans-114.8-168.2173.965.359.3000113.1Y93 H94 R296D91-Y93 HydrophobicContact CB-CD1 4.42Å; D91-Y93 HydrophobicContact CB-CE1 4.13Å; D91-Y93 PolarHBondContact OD1-N 3.01Å; D91-H94 VanDerWaalsContact CG-ND1 3.32Å; D91-H94 IonicContact OD1-CG 3.31Å; D91-H94 PolarHBondContact OD1-N 3.47Å; D91-H94 IonicContact OD1-ND1 2.67Å; D91-H94 PolarHBondContact OD1-ND1 3.25Å; D91-H94 IonicContact OD2-CE1 2.93Å; D91-H94 IonicContact OD2-CG 3.05Å; D91-H94 IonicContact OD2-ND1 3.46Å; D91-H94 PolarHBondContact OD2-ND1 3.49Å; D91-R296 PolarHBondContact O-NE 3.43Å
92V90.3Very high89.4Confident27 Ų2724.1 Ų24.116%0.16412%0.119CC..SBendtrans-109.53.9-170.1-60.80000114.2S256 N257 V283V92-S256 WeakPolarHBondContact CB-OG 3.38Å; V92-S256 PolarHBondContact O-OG 3.4Å; V92-N257 PolarHBondContact O-N 3.47Å; V92-V283 HydrophobicContact CG1-CG1 3.67Å
93Y88.2Confident90.8Very high34 Ų3421.7 Ų21.713%0.13311%0.108CC..SBendtrans-146.5-12.5-169.360.4-94.4000116.9D91 H95 D207 P209 N257D91-Y93 HydrophobicContact CB-CD1 4.42Å; D91-Y93 HydrophobicContact CB-CE1 4.13Å; D91-Y93 PolarHBondContact OD1-N 3.01Å; Y93-H95 PolarHBondContact O-CD2 3.49Å; Y93-D207 PolarHBondContact OH-O 3.31Å; Y93-P209 HydrophobicContact CE1-CB 4.34Å; Y93-N257 WeakPolarHBondContact CA-ND2 3.3Å; Y93-N257 PolarHBondContact O-ND2 3.03Å
94H91.2Very high91.7Very high34 Ų3419.3 Ų19.316%0.15710%0.095CC..  trans-83145.3172.1-72.7107.8000111.9D84 D87 D91 Y258D84-H94 HydrophobicContact CB-CB 4.46Å; D87-H94 HydrophobicContact CB-CB 4.12Å; D91-H94 VanDerWaalsContact CG-ND1 3.32Å; D91-H94 IonicContact OD1-CG 3.31Å; D91-H94 PolarHBondContact OD1-N 3.47Å; D91-H94 IonicContact OD1-ND1 2.67Å; D91-H94 PolarHBondContact OD1-ND1 3.25Å; D91-H94 IonicContact OD2-CE1 2.93Å; D91-H94 IonicContact OD2-CG 3.05Å; D91-H94 IonicContact OD2-ND1 3.46Å; D91-H94 PolarHBondContact OD2-ND1 3.49Å; H94-Y258 PolarHBondContact O-OH 3.03Å
95H94.4Very high92.2Very high7 Ų718.1 Ų18.13%0.0329%0.089CC..  trans-142.2143.4-176.8-60.6-63.5000110.6Y93 F97 F98 N257 Y258 F263 D300Y93-H95 PolarHBondContact O-CD2 3.49Å; H95-F97 VanDerWaalsContact C-N 3.35Å; H95-F97 VanDerWaalsContact CB-O 3.29Å; H95-F97 WeakPolarHBondContact CB-O 3.4Å; H95-F98 HydrophobicContact CB-CB 4.27Å; H95-N257 VanDerWaalsContact NE2-CB 3.33Å; H95-N257 WeakPolarHBondContact NE2-CB 3.14Å; H95-N257 PolarHBondContact NE2-ND2 2.79Å; H95-Y258 AromaticContact CE1-CE1 3.69Å; H95-Y258 AromaticContact CE1-CE2 3.79Å; H95-Y258 AromaticContact CE1-CZ 3.43Å; H95-Y258 VanDerWaalsContact CE1-CZ 3.43Å; H95-Y258 AromaticContact ND1-CE1 3.86Å; H95-Y258 AromaticContact ND1-CZ 3.58Å; H95-Y258 PolarHBondContact ND1-OH 3.1Å; H95-F263 AromaticContact CE1-CE2 3.69Å; H95-F263 AromaticContact CE1-CZ 3.33Å; H95-F263 WeakPolarHBondContact CE1-CZ 3.25Å; H95-F263 AromaticContact ND1-CZ 3.59Å; H95-D300 WeakPolarHBondContact CA-OD1 3.38Å; H95-D300 VanDerWaalsContact CB-OD1 3.29Å; H95-D300 WeakPolarHBondContact CB-OD1 3.4Å; H95-D300 IonicContact CG-OD1 3.49Å; H95-D300 IonicContact ND1-OD1 2.76Å
96T94.6Very high92.7Very high0 Ų018.5 Ų18.50%09%0.091CC..SBendtrans-77.4-30.5170.357.20000110.8I76 R77 L85 V88 D300 T304I76-T96 CarbonylContact C-O 3.57Å; I76-T96 WeakPolarHBondContact CA-O 3.38Å; R77-T96 PolarHBondContact N-O 3.07Å; L85-T96 HydrophobicContact CB-CG2 4.24Å; L85-T96 HydrophobicContact CD1-CG2 3.63Å; V88-T96 HydrophobicContact CB-CG2 4.47Å; V88-T96 HydrophobicContact CG2-CG2 3.76Å; T96-D300 WeakPolarHBondContact CB-OD2 3.4Å; T96-D300 PolarHBondContact N-OD1 3.47Å; T96-D300 PolarHBondContact N-OD2 3.18Å; T96-D300 PolarHBondContact OG1-OD2 3.19Å; T96-T304 WeakPolarHBondContact OG1-CB 3.4Å; T96-T304 PolarHBondContact OG1-OG1 3.31Å
97F96.1Very high93.3Very high0 Ų017.6 Ų17.60%010%0.096CC..EExtended strand (participates in β ladder)trans-123.5132.1172.1166.6-100.3000110.2K74 C75 I76 H95 E99 R303 T304 L307 L357 F361K74-F97 HydrophobicContact CB-CE2 3.82Å; K74-F97 HydrophobicContact CG-CE2 4.13Å; K74-F97 HydrophobicContact CG-CZ 4.44Å; C75-F97 WeakPolarHBondContact O-CA 3.37Å; C75-F97 VanDerWaalsContact O-CD2 3.29Å; C75-F97 WeakPolarHBondContact O-CD2 3.37Å; I76-F97 HydrophobicContact CG1-CD2 4.33Å; H95-F97 VanDerWaalsContact C-N 3.35Å; H95-F97 VanDerWaalsContact CB-O 3.29Å; H95-F97 WeakPolarHBondContact CB-O 3.4Å; F97-E99 HydrophobicContact CE1-CG 4.48Å; F97-E99 HydrophobicContact CZ-CG 3.95Å; F97-R303 HydrophobicContact CD1-CB 3.75Å; F97-R303 HydrophobicContact CE1-CB 4.41Å; F97-T304 HydrophobicContact CB-CG2 4.15Å; F97-T304 WeakPolarHBondContact CB-OG1 3.25Å; F97-T304 PolarHBondContact N-OG1 3.2Å; F97-L307 HydrophobicContact CD1-CD1 3.71Å; F97-L307 HydrophobicContact CD2-CD1 3.59Å; F97-L307 HydrophobicContact CE1-CD1 3.31Å; F97-L307 HydrophobicContact CE2-CD1 3.22Å; F97-L307 HydrophobicContact CG-CD1 3.83Å; F97-L307 HydrophobicContact CZ-CD1 3.07Å; F97-L357 HydrophobicContact CE1-CD1 3.93Å; F97-F361 HydrophobicContact CZ-CE2 4.47Å
98F96.2Very high93.7Very high21 Ų2118 Ų189%0.09210%0.098CC..EExtended strand (participates in β ladder)trans-145.7162.4172.266.7-82.6000110.2C75 R77 H95 M100 E245C75-F98 HydrophobicContact CB-CD1 4.34Å; C75-F98 HydrophobicContact CB-CD2 4.46Å; C75-F98 HydrophobicContact CB-CE1 3.86Å; C75-F98 HydrophobicContact CB-CE2 4.02Å; C75-F98 HydrophobicContact CB-CZ 3.68Å; C75-F98 PolarHBondContact N-O 2.97Å; C75-F98 PolarHBondContact O-N 3.31Å; C75-F98 VanDerWaalsContact O-N 3.11Å; R77-F98 HydrophobicContact CB-CE1 4.45Å; R77-F98 HydrophobicContact CG-CE1 3.81Å; R77-F98 HydrophobicContact CG-CZ 4.49Å; H95-F98 HydrophobicContact CB-CB 4.27Å; F98-M100 HydrophobicContact CE2-CB 4.03Å; F98-M100 HydrophobicContact CE2-CE 3.62Å; F98-M100 HydrophobicContact CZ-CE 3.77Å; F98-E245 WeakPolarHBondContact CB-OE2 3.49Å
99E97.6Very high94Very high0 Ų018.9 Ų18.90%010%0.101CC..EExtended strand (participates in β ladder)trans-93.9119.8174.6-78.4-178.5-105.200109.8R11 T72 F97 L244 E245 F361R11-E99 IonicContact CZ-OE1 2.67Å; R11-E99 IonicContact CZ-OE2 2.76Å; R11-E99 IonicContact NE-OE1 2.66Å; R11-E99 IonicContact NE-OE2 3.9Å; R11-E99 PolarHBondContact NE-OE2 2.76Å; R11-E99 VanDerWaalsContact NH2-CD 3.31Å; R11-E99 IonicContact NH2-OE1 3.36Å; R11-E99 PolarHBondContact NH2-OE1 2.98Å; R11-E99 IonicContact NH2-OE2 2.69Å; R11-E99 PolarHBondContact NH2-OE2 3.31Å; R11-E99 VanDerWaalsContact NH2-OE2 3.15Å; T72-E99 WeakPolarHBondContact OG1-CB 3.33Å; T72-E99 PolarHBondContact OG1-OE2 2.97Å; F97-E99 HydrophobicContact CE1-CG 4.48Å; F97-E99 HydrophobicContact CZ-CG 3.95Å; E99-L244 HydrophobicContact CB-CB 3.8Å; E99-L244 HydrophobicContact CB-CD2 3.84Å; E99-L244 HydrophobicContact CB-CG 4.48Å; E99-L244 HydrophobicContact CG-CD2 4.3Å; E99-L244 WeakPolarHBondContact O-CB 3.38Å; E99-L244 PolarHBondContact O-N 3.04Å; E99-L244 WeakPolarHBondContact OE1-CD2 3.37Å; E99-E245 PolarHBondContact N-OE1 3.48Å; E99-E245 PolarHBondContact N-OE2 2.96Å; E99-E245 VanDerWaalsContact N-OE2 3.12Å; E99-F361 HydrophobicContact CG-CE2 4.03Å; E99-F361 HydrophobicContact CG-CZ 3.96Å
100M97.1Very high94.5Very high15 Ų1520.7 Ų20.77%0.07411%0.109CC..EExtended strand (participates in β ladder)trans-94.4104.3172.6-169.5174.6-67.200109.2A44 G45 Q73 F98 G102 M242A44-M100 HydrophobicContact CB-CE 4.34Å; A44-M100 HydrophobicContact CB-SD 4.32Å; G45-M100 PolarHBondContact N-SD 2.91Å; Q73-M100 PolarHBondContact N-O 2.96Å; Q73-M100 PolarHBondContact O-N 2.8Å; F98-M100 HydrophobicContact CE2-CB 4.03Å; F98-M100 HydrophobicContact CE2-CE 3.62Å; F98-M100 HydrophobicContact CZ-CE 3.77Å; M100-G102 PolarHBondContact O-N 3.01Å; M100-M242 CarbonylContact C-O 3.54Å
101L98.3Very high95Very high0 Ų017.2 Ų17.20%09%0.094CC..EExtended strand (participates in β ladder)trans-68.9123.2167.4-60.4178000108.2R11 F14 M242 L244 L247R11-L101 HydrophobicContact CG-CD2 4.12Å; F14-L101 HydrophobicContact CB-CD1 4.1Å; F14-L101 HydrophobicContact CD1-CB 4Å; F14-L101 HydrophobicContact CD1-CD1 4.5Å; F14-L101 HydrophobicContact CD1-CD2 4.17Å; F14-L101 HydrophobicContact CD1-CG 4.46Å; F14-L101 HydrophobicContact CD2-CB 3.94Å; F14-L101 HydrophobicContact CD2-CD1 3.86Å; F14-L101 HydrophobicContact CD2-CG 4.45Å; F14-L101 HydrophobicContact CE1-CB 3.81Å; F14-L101 HydrophobicContact CE2-CB 3.75Å; F14-L101 HydrophobicContact CE2-CD1 4.45Å; F14-L101 HydrophobicContact CG-CB 4.09Å; F14-L101 HydrophobicContact CG-CD1 3.91Å; F14-L101 HydrophobicContact CG-CD2 4.33Å; F14-L101 HydrophobicContact CG-CG 4.35Å; F14-L101 HydrophobicContact CZ-CB 3.71Å; L101-M242 HydrophobicContact CB-CB 4.12Å; L101-M242 HydrophobicContact CD1-CG 4.46Å; L101-M242 HydrophobicContact CD1-SD 3.92Å; L101-M242 PolarHBondContact N-O 3.03Å; L101-M242 PolarHBondContact O-N 3.42Å; L101-L244 HydrophobicContact CD1-CB 4.34Å; L101-L244 HydrophobicContact CD1-CD1 3.82Å; L101-L244 HydrophobicContact CD2-CD1 4.39Å; L101-L244 HydrophobicContact CG-CB 4.13Å; L101-L244 HydrophobicContact CG-CD1 4.29Å; L101-L247 HydrophobicContact CD1-CD2 4.4Å
102G96.8Very high95.4Very high0 Ų023 Ų230%012%0.121CC..EExtended strand (participates in β ladder)trans-136.5151.8-174.900000114.1F14 T70 N71 M100 W104 T240F14-G102 WeakPolarHBondContact CE1-O 3.23Å; T70-G102 VanDerWaalsContact CA-O 3.25Å; T70-G102 WeakPolarHBondContact CA-O 3.38Å; T70-G102 PolarHBondContact OG1-O 2.73Å; N71-G102 PolarHBondContact N-O 3.29Å; N71-G102 VanDerWaalsContact N-O 3.12Å; N71-G102 PolarHBondContact O-N 3.34Å; M100-G102 PolarHBondContact O-N 3.01Å; G102-W104 VanDerWaalsContact CA-CH2 3.44Å; G102-W104 WeakPolarHBondContact O-CZ3 3.48Å; G102-T240 WeakPolarHBondContact CA-O 3.28Å
103S97.4Very high95.8Very high2 Ų224.4 Ų24.41%0.01413%0.127CC..EExtended strand (participates in β ladder)trans-134.6136.6169.564.70000109.9F18 A69 T240F18-S103 WeakPolarHBondContact CE1-OG 3.37Å; F18-S103 VanDerWaalsContact CZ-OG 3.22Å; F18-S103 WeakPolarHBondContact CZ-OG 3.2Å; A69-S103 CarbonylContact O-C 3.56Å; A69-S103 WeakPolarHBondContact O-CA 3.36Å; S103-T240 PolarHBondContact N-OG1 3.04Å; S103-T240 PolarHBondContact O-N 3.5Å; S103-T240 VanDerWaalsContact O-N 3.1Å; S103-T240 PolarHBondContact O-OG1 2.89Å; S103-T240 PolarHBondContact OG-OG1 3.49Å
104W97.9Very high96.3Very high0 Ų023 Ų230%012%0.122CC..EExtended strand (participates in β ladder)trans-127.6144-173.5-61.1-76.8000111.5G45 F49 F53 R68 A69 N71 G102 F106 I238 D239G45-W104 VanDerWaalsContact C-CZ2 3.4Å; F49-W104 AromaticContact CD2-CD2 3.66Å; F49-W104 HydrophobicContact CD2-CD2 3.66Å; F49-W104 AromaticContact CD2-CE2 3.91Å; F49-W104 HydrophobicContact CD2-CE3 4.01Å; F49-W104 AromaticContact CD2-CG 3.96Å; F49-W104 HydrophobicContact CD2-CG 3.96Å; F49-W104 HydrophobicContact CD2-CZ2 4.49Å; F49-W104 AromaticContact CE2-CD2 3.45Å; F49-W104 HydrophobicContact CE2-CD2 3.45Å; F49-W104 VanDerWaalsContact CE2-CD2 3.45Å; F49-W104 AromaticContact CE2-CE2 3.86Å; F49-W104 AromaticContact CE2-CE3 3.29Å; F49-W104 HydrophobicContact CE2-CE3 3.29Å; F49-W104 HydrophobicContact CE2-CG 4.16Å; F49-W104 HydrophobicContact CE2-CH2 4.03Å; F49-W104 HydrophobicContact CE2-CZ2 4.17Å; F49-W104 AromaticContact CE2-CZ3 3.58Å; F49-W104 HydrophobicContact CE2-CZ3 3.58Å; F49-W104 HydrophobicContact CZ-CD2 4.49Å; F49-W104 HydrophobicContact CZ-CE3 4.02Å; F49-W104 HydrophobicContact CZ-CZ3 4.27Å; F53-W104 AromaticContact CZ-CD1 3.74Å; R68-W104 CarbonylContact C-O 3.51Å; R68-W104 VanDerWaalsContact CA-O 3.22Å; R68-W104 WeakPolarHBondContact CA-O 3.39Å; A69-W104 HydrophobicContact CB-CB 4.38Å; A69-W104 HydrophobicContact CB-CE3 4.01Å; A69-W104 PolarHBondContact N-O 2.83Å; A69-W104 PolarHBondContact O-N 2.88Å; N71-W104 HydrophobicContact CB-CZ3 4.28Å; N71-W104 WeakPolarHBondContact OD1-CH2 3.35Å; N71-W104 WeakPolarHBondContact OD1-CZ3 3.47Å; G102-W104 VanDerWaalsContact CA-CH2 3.44Å; G102-W104 WeakPolarHBondContact O-CZ3 3.48Å; W104-F106 HydrophobicContact CB-CE1 4Å; W104-F106 HydrophobicContact CB-CE2 4.11Å; W104-F106 HydrophobicContact CB-CZ 3.59Å; W104-F106 HydrophobicContact CG-CZ 4.23Å; W104-I238 VanDerWaalsContact CA-O 3.29Å; W104-I238 WeakPolarHBondContact CA-O 3.47Å; W104-D239 PolarHBondContact NE1-OD1 2.69Å
105S97.1Very high96.6Very high0 Ų021.3 Ų21.30%011%0.114CC..EExtended strand (participates in β ladder)trans-125.7127.6170.4171.60000108.9D108 Y109 S237 I238S105-D108 PolarHBondContact OG-N 3.33Å; S105-Y109 WeakPolarHBondContact CB-O 3.28Å; S105-Y109 PolarHBondContact OG-N 3.4Å; S105-Y109 PolarHBondContact OG-O 3.39Å; S105-S237 CarbonylContact O-C 3.51Å; S105-S237 WeakPolarHBondContact O-CA 3.35Å; S105-S237 WeakPolarHBondContact O-CB 3.48Å; S105-I238 PolarHBondContact N-O 3.06Å; S105-I238 PolarHBondContact O-N 2.84Å
106F95.7Very high96.8Very high10 Ų1025.8 Ų25.84%0.04413%0.133CC..SBendtrans-107.765.8-178.3-53.5-64.2000110.6F49 I52 F53 L66 N67 A69 W104F49-F106 HydrophobicContact CB-CE1 3.76Å; F49-F106 HydrophobicContact CB-CZ 3.73Å; F49-F106 HydrophobicContact CD1-CE2 4.48Å; F49-F106 AromaticContact CD1-CZ 3.8Å; F49-F106 HydrophobicContact CD1-CZ 3.8Å; F49-F106 HydrophobicContact CD2-CZ 4.12Å; F49-F106 HydrophobicContact CE1-CZ 4.44Å; F49-F106 HydrophobicContact CG-CE1 4.17Å; F49-F106 AromaticContact CG-CZ 3.61Å; F49-F106 HydrophobicContact CG-CZ 3.61Å; I52-F106 HydrophobicContact CB-CD1 4.02Å; I52-F106 HydrophobicContact CB-CE1 4.12Å; I52-F106 HydrophobicContact CB-CG 4.48Å; I52-F106 HydrophobicContact CD1-CD2 4.32Å; I52-F106 HydrophobicContact CD1-CE1 4.14Å; I52-F106 HydrophobicContact CD1-CE2 3.94Å; I52-F106 HydrophobicContact CD1-CZ 3.84Å; I52-F106 HydrophobicContact CG2-CB 3.83Å; I52-F106 HydrophobicContact CG2-CD1 3.5Å; I52-F106 HydrophobicContact CG2-CD2 4.15Å; I52-F106 HydrophobicContact CG2-CE1 4.07Å; I52-F106 HydrophobicContact CG2-CG 3.55Å; F53-F106 HydrophobicContact CD1-CD1 4.19Å; F53-F106 HydrophobicContact CD1-CE1 4.33Å; F53-F106 HydrophobicContact CD2-CE1 4.48Å; F53-F106 AromaticContact CE1-CD1 3.85Å; F53-F106 HydrophobicContact CE1-CD1 3.85Å; F53-F106 AromaticContact CE1-CE1 3.77Å; F53-F106 HydrophobicContact CE1-CE1 3.77Å; F53-F106 AromaticContact CE2-CE1 3.95Å; F53-F106 HydrophobicContact CE2-CE1 3.95Å; F53-F106 HydrophobicContact CZ-CD1 4.15Å; F53-F106 AromaticContact CZ-CE1 3.57Å; F53-F106 HydrophobicContact CZ-CE1 3.57Å; L66-F106 HydrophobicContact CB-CD2 4.1Å; L66-F106 HydrophobicContact CB-CE2 4.06Å; L66-F106 WeakPolarHBondContact O-CD2 3.38Å; N67-F106 PolarHBondContact O-N 3.08Å; A69-F106 HydrophobicContact CB-CE2 4.02Å; A69-F106 HydrophobicContact CB-CZ 4.46Å; W104-F106 HydrophobicContact CB-CE1 4Å; W104-F106 HydrophobicContact CB-CE2 4.11Å; W104-F106 HydrophobicContact CB-CZ 3.59Å; W104-F106 HydrophobicContact CG-CZ 4.23Å
107G91Very high97Very high42 Ų4226 Ų2643%0.43314%0.135SC..SBendtrans80.715.7-177.700000115.5K236G107-K236 VanDerWaalsContact CA-O 3.31Å; G107-K236 WeakPolarHBondContact CA-O 3.19Å; G107-K236 PolarHBondContact N-O 3.47Å
108D94.8Very high97.1Very high77 Ų7726 Ų2641%0.41214%0.135SC..SBendtrans-95.7-51.1-179.5177.593.3000112.8N67 R68 S105N67-D108 HydrophobicContact CB-CB 4.31Å; R68-D108 HydrophobicContact CG-CB 4.4Å; R68-D108 IonicContact CZ-OD2 3.61Å; R68-D108 IonicContact NE-OD2 3.59Å; R68-D108 PolarHBondContact NE-OD2 3.13Å; R68-D108 IonicContact NH2-OD2 3.49Å; R68-D108 PolarHBondContact NH2-OD2 2.89Å; S105-D108 PolarHBondContact OG-N 3.33Å
109Y96.9Very high97.2Very high19 Ų1925.8 Ų25.88%0.07514%0.135CC..  trans-133.5164.8170.673.2-96.1000112.2H23 R68 S105 L113 A114 I238H23-Y109 AromaticContact CE1-CE1 3.83Å; H23-Y109 AromaticContact NE2-CE1 3.47Å; H23-Y109 WeakPolarHBondContact NE2-CE1 3.43Å; H23-Y109 AromaticContact NE2-CZ 3.67Å; H23-Y109 PolarHBondContact NE2-OH 3.17Å; R68-Y109 HydrophobicContact CG-CD1 4.39Å; R68-Y109 HydrophobicContact CG-CE1 4.14Å; S105-Y109 WeakPolarHBondContact CB-O 3.28Å; S105-Y109 PolarHBondContact OG-N 3.4Å; S105-Y109 PolarHBondContact OG-O 3.39Å; Y109-L113 HydrophobicContact CD1-CD2 3.94Å; Y109-L113 HydrophobicContact CD2-CB 3.77Å; Y109-L113 HydrophobicContact CD2-CD2 4.11Å; Y109-L113 HydrophobicContact CD2-CG 4.05Å; Y109-L113 HydrophobicContact CG-CB 4.08Å; Y109-L113 HydrophobicContact CG-CD2 3.68Å; Y109-L113 HydrophobicContact CG-CG 4.14Å; Y109-A114 HydrophobicContact CD2-CB 4.46Å; Y109-A114 HydrophobicContact CE2-CB 3.96Å; Y109-I238 HydrophobicContact CD2-CG1 4.14Å; Y109-I238 HydrophobicContact CE2-CB 4.26Å; Y109-I238 HydrophobicContact CE2-CG1 3.92Å; Y109-I238 HydrophobicContact CE2-CG2 4.4Å
110F96.9Very high97.2Very high37 Ų3727.3 Ų27.316%0.16214%0.143CC..  trans-133-145.5-179.2-158.3-130.3000112.1E112 L113 A114 F219 K236 S237 I238F110-E112 PolarHBondContact O-N 3.43Å; F110-L113 PolarHBondContact O-N 2.96Å; F110-A114 WeakPolarHBondContact O-CB 3.36Å; F110-A114 PolarHBondContact O-N 3.29Å; F110-A114 VanDerWaalsContact O-N 3.09Å; F110-F219 HydrophobicContact CE2-CB 3.85Å; F110-F219 HydrophobicContact CZ-CB 3.63Å; F110-F219 HydrophobicContact CZ-CG 4.48Å; F110-K236 HydrophobicContact CD1-CD 4.14Å; F110-K236 HydrophobicContact CD2-CB 3.84Å; F110-K236 HydrophobicContact CE1-CB 4.43Å; F110-K236 HydrophobicContact CE1-CD 3.77Å; F110-K236 HydrophobicContact CE2-CB 3.74Å; F110-K236 HydrophobicContact CE2-CD 4.48Å; F110-K236 HydrophobicContact CE2-CG 4.46Å; F110-K236 HydrophobicContact CG-CB 4.26Å; F110-K236 HydrophobicContact CZ-CB 4.03Å; F110-K236 HydrophobicContact CZ-CD 3.95Å; F110-K236 HydrophobicContact CZ-CG 4.28Å; F110-S237 WeakPolarHBondContact CE2-O 3.42Å; F110-I238 HydrophobicContact CD2-CD1 3.57Å; F110-I238 HydrophobicContact CD2-CG1 4.11Å; F110-I238 HydrophobicContact CE2-CD1 4.04Å; F110-I238 HydrophobicContact CG-CD1 4.28Å
111K97.8Very high97.2Very high9 Ų926.6 Ų26.64%0.03914%0.139CC..Hα-helixtrans-50-51.6-167.4-65175.6-176.51710115.4L113 A114 C115 D149 E151 I155 F219K111-L113 PolarHBondContact O-N 2.85Å; K111-A114 PolarHBondContact O-N 2.95Å; K111-A114 VanDerWaalsContact O-N 3.17Å; K111-C115 PolarHBondContact O-N 3.48Å; K111-C115 PolarHBondContact O-SG 2.91Å; K111-C115 VanDerWaalsContact O-SG 3.34Å; K111-D149 WeakPolarHBondContact CE-OD2 3.47Å; K111-D149 IonicContact NZ-OD1 3.8Å; K111-D149 PolarHBondContact NZ-OD1 3.38Å; K111-D149 IonicContact NZ-OD2 3.37Å; K111-D149 PolarHBondContact NZ-OD2 3.31Å; K111-E151 HydrophobicContact CD-CG 4.19Å; K111-E151 WeakPolarHBondContact CD-OE2 3.13Å; K111-E151 IonicContact NZ-OE2 2.66Å; K111-E151 PolarHBondContact NZ-OE2 3.4Å; K111-I155 HydrophobicContact CB-CD1 3.53Å; K111-I155 HydrophobicContact CD-CD1 4.47Å; K111-F219 HydrophobicContact CB-CE1 4.21Å; K111-F219 HydrophobicContact CB-CZ 4.47Å; K111-F219 HydrophobicContact CD-CD2 4.18Å; K111-F219 HydrophobicContact CD-CE2 4.26Å; K111-F219 HydrophobicContact CD-CG 4.34Å; K111-F219 HydrophobicContact CD-CZ 4.49Å; K111-F219 HydrophobicContact CG-CD1 3.61Å; K111-F219 HydrophobicContact CG-CD2 4.05Å; K111-F219 HydrophobicContact CG-CE1 3.68Å; K111-F219 HydrophobicContact CG-CE2 4.11Å; K111-F219 HydrophobicContact CG-CG 3.8Å; K111-F219 HydrophobicContact CG-CZ 3.93Å
112E97.8Very high97.2Very high150 Ų15026.7 Ų26.770%0.70114%0.14SC*.Hα-helixtrans-58.3-51.1-172-172.5-174.7165.600112.2F110 K116 I155F110-E112 PolarHBondContact O-N 3.43Å; E112-K116 WeakPolarHBondContact O-CB 3.41Å; E112-K116 PolarHBondContact O-N 3.16Å; E112-K116 VanDerWaalsContact O-N 3.11Å; E112-I155 HydrophobicContact CB-CD1 4.29Å
113L97.9Very high97.2Very high55 Ų5528.4 Ų28.429%0.28815%0.15SC..Hα-helixtrans-71-34.9178.2-175.358.9000111.6Y109 F110 K111 K116 L117Y109-L113 HydrophobicContact CD1-CD2 3.94Å; Y109-L113 HydrophobicContact CD2-CB 3.77Å; Y109-L113 HydrophobicContact CD2-CD2 4.11Å; Y109-L113 HydrophobicContact CD2-CG 4.05Å; Y109-L113 HydrophobicContact CG-CB 4.08Å; Y109-L113 HydrophobicContact CG-CD2 3.68Å; Y109-L113 HydrophobicContact CG-CG 4.14Å; F110-L113 PolarHBondContact O-N 2.96Å; K111-L113 PolarHBondContact O-N 2.85Å; L113-K116 PolarHBondContact O-N 3.35Å; L113-L117 HydrophobicContact CD1-CD1 4.13Å; L113-L117 HydrophobicContact CD1-CD2 4.27Å; L113-L117 HydrophobicContact CD1-CG 3.86Å; L113-L117 HydrophobicContact CD2-CD1 4.48Å; L113-L117 HydrophobicContact CG-CD1 3.89Å; L113-L117 HydrophobicContact CG-CG 4.1Å; L113-L117 WeakPolarHBondContact O-CB 3.22Å; L113-L117 VanDerWaalsContact O-CG 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.43Å; L113-L117 PolarHBondContact O-N 2.89Å
114A98.1Very high97.1Very high4 Ų435.1 Ų35.13%0.03318%0.179CC..Hα-helixtrans-60.3-51.8176.700000111.9Y109 F110 K111 K116 L117 A118 I238Y109-A114 HydrophobicContact CD2-CB 4.46Å; Y109-A114 HydrophobicContact CE2-CB 3.96Å; F110-A114 WeakPolarHBondContact O-CB 3.36Å; F110-A114 PolarHBondContact O-N 3.29Å; F110-A114 VanDerWaalsContact O-N 3.09Å; K111-A114 PolarHBondContact O-N 2.95Å; K111-A114 VanDerWaalsContact O-N 3.17Å; A114-K116 VanDerWaalsContact C-N 3.34Å; A114-K116 PolarHBondContact O-N 2.99Å; A114-L117 PolarHBondContact O-N 3.34Å; A114-A118 WeakPolarHBondContact O-CB 3.28Å; A114-A118 PolarHBondContact O-N 3.03Å; A114-I238 HydrophobicContact CB-CD1 3.88Å; A114-I238 HydrophobicContact CB-CG1 4.07Å; A114-I238 HydrophobicContact CB-CG2 4.05Å
115C98.5Very high97Very high0 Ų039.5 Ų39.50%020%0.199CC..Hα-helixtrans-63.6-40.5179-62.80000111.5K111 A118 L119 I155 W156 L159K111-C115 PolarHBondContact O-N 3.48Å; K111-C115 PolarHBondContact O-SG 2.91Å; K111-C115 VanDerWaalsContact O-SG 3.34Å; C115-A118 PolarHBondContact O-N 3.01Å; C115-L119 WeakPolarHBondContact O-CB 3.44Å; C115-L119 PolarHBondContact O-N 3.4Å; C115-I155 HydrophobicContact CB-CG2 3.69Å; C115-W156 HydrophobicContact CB-CD2 4.29Å; C115-W156 HydrophobicContact CB-CE3 4.28Å; C115-W156 HydrophobicContact CB-CH2 3.76Å; C115-W156 HydrophobicContact CB-CZ2 3.76Å; C115-W156 HydrophobicContact CB-CZ3 4.03Å; C115-L159 HydrophobicContact CB-CD1 3.7Å
116K98.4Very high96.9Very high100 Ų10040.3 Ų40.344%0.43520%0.203SC..Hα-helixtrans-62.2-49.6176.8-176.9179.3176.9-177.90112.2E112 L113 A114 A118 L119 D120 L159E112-K116 WeakPolarHBondContact O-CB 3.41Å; E112-K116 PolarHBondContact O-N 3.16Å; E112-K116 VanDerWaalsContact O-N 3.11Å; L113-K116 PolarHBondContact O-N 3.35Å; A114-K116 VanDerWaalsContact C-N 3.34Å; A114-K116 PolarHBondContact O-N 2.99Å; K116-A118 VanDerWaalsContact C-N 3.27Å; K116-A118 PolarHBondContact O-N 3Å; K116-L119 PolarHBondContact O-N 2.67Å; K116-D120 WeakPolarHBondContact O-CB 3.35Å; K116-D120 PolarHBondContact O-N 3.47Å; K116-L159 HydrophobicContact CB-CD1 4.41Å; K116-L159 HydrophobicContact CB-CD2 3.96Å; K116-L159 HydrophobicContact CG-CD2 4.08Å
117L98.4Very high96.9Very high5 Ų542.3 Ų42.33%0.02623%0.227CC..Hα-helixtrans-62-38.7178.5-71.4176.9000111.3F17 F18 N21 L113 A114 L121F17-L117 HydrophobicContact CE1-CB 4.32Å; F17-L117 HydrophobicContact CE1-CD2 4.16Å; F17-L117 HydrophobicContact CZ-CD2 4.06Å; F18-L117 HydrophobicContact CE1-CB 4.33Å; F18-L117 HydrophobicContact CE1-CD1 4.14Å; N21-L117 HydrophobicContact CB-CD2 4.1Å; N21-L117 VanDerWaalsContact CG-CD2 3.47Å; N21-L117 VanDerWaalsContact OD1-CD2 3.29Å; N21-L117 WeakPolarHBondContact OD1-CD2 3.48Å; L113-L117 HydrophobicContact CD1-CD1 4.13Å; L113-L117 HydrophobicContact CD1-CD2 4.27Å; L113-L117 HydrophobicContact CD1-CG 3.86Å; L113-L117 HydrophobicContact CD2-CD1 4.48Å; L113-L117 HydrophobicContact CG-CD1 3.89Å; L113-L117 HydrophobicContact CG-CG 4.1Å; L113-L117 WeakPolarHBondContact O-CB 3.22Å; L113-L117 VanDerWaalsContact O-CG 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.43Å; L113-L117 PolarHBondContact O-N 2.89Å; A114-L117 PolarHBondContact O-N 3.34Å; L117-L121 WeakPolarHBondContact O-CB 3.23Å; L117-L121 PolarHBondContact O-N 2.85Å
118A98.1Very high97Very high1 Ų140.7 Ų40.71%0.00821%0.208CC..Hα-helixtrans-63.7-46.9177.400000112A114 C115 K116 L122 I190 W215 L217A114-A118 WeakPolarHBondContact O-CB 3.28Å; A114-A118 PolarHBondContact O-N 3.03Å; C115-A118 PolarHBondContact O-N 3.01Å; K116-A118 VanDerWaalsContact C-N 3.27Å; K116-A118 PolarHBondContact O-N 3Å; A118-L122 WeakPolarHBondContact O-CG 3.39Å; A118-L122 PolarHBondContact O-N 2.85Å; A118-L122 VanDerWaalsContact O-N 3.12Å; A118-I190 HydrophobicContact CB-CD1 3.88Å; A118-W215 HydrophobicContact CB-CD2 4.42Å; A118-W215 HydrophobicContact CB-CE3 3.77Å; A118-W215 HydrophobicContact CB-CH2 3.92Å; A118-W215 HydrophobicContact CB-CZ3 3.53Å; A118-L217 HydrophobicContact CB-CD1 3.84Å; A118-L217 HydrophobicContact CB-CD2 4.09Å
119L98.1Very high97Very high16 Ų1639.3 Ų39.38%0.08420%0.203CC..Hα-helixtrans-64.7-44.8177.5-169.961.8000112.2C115 K116 L122 T123 V130 L133 W156 L159 L161C115-L119 WeakPolarHBondContact O-CB 3.44Å; C115-L119 PolarHBondContact O-N 3.4Å; K116-L119 PolarHBondContact O-N 2.67Å; L119-L122 PolarHBondContact O-N 2.84Å; L119-T123 HydrophobicContact CD1-CG2 3.75Å; L119-T123 HydrophobicContact CG-CG2 4.3Å; L119-T123 WeakPolarHBondContact O-CB 3.32Å; L119-T123 WeakPolarHBondContact O-CG2 3.23Å; L119-T123 PolarHBondContact O-N 3.35Å; L119-T123 PolarHBondContact O-OG1 3.43Å; L119-V130 HydrophobicContact CD1-CG2 4.1Å; L119-L133 HydrophobicContact CD1-CD1 4.2Å; L119-W156 HydrophobicContact CB-CZ3 4.15Å; L119-L159 HydrophobicContact CD2-CB 3.9Å; L119-L161 HydrophobicContact CD1-CD1 3.97Å; L119-L161 HydrophobicContact CD2-CD1 3.71Å
120D98.2Very high96.9Very high32 Ų3241.3 Ų41.317%0.17122%0.217CC..Hα-helixtrans-61.8-43.9179.6-79.7-11.5000111.1F17 K116 K124 E125F17-D120 HydrophobicContact CZ-CB 4.16Å; K116-D120 WeakPolarHBondContact O-CB 3.35Å; K116-D120 PolarHBondContact O-N 3.47Å; D120-K124 HydrophobicContact CB-CD 4.19Å; D120-K124 VanDerWaalsContact CG-NZ 3.33Å; D120-K124 WeakPolarHBondContact O-CA 3.49Å; D120-K124 WeakPolarHBondContact O-CB 3.33Å; D120-K124 PolarHBondContact O-N 3.01Å; D120-K124 WeakPolarHBondContact OD1-CE 3.43Å; D120-K124 IonicContact OD1-NZ 3.02Å; D120-K124 PolarHBondContact OD1-NZ 3.24Å; D120-K124 IonicContact OD2-NZ 3.02Å; D120-K124 PolarHBondContact OD2-NZ 3.23Å; D120-E125 PolarHBondContact O-N 3.47Å
121L98.1Very high96.8Very high0 Ų044.1 Ų44.10%023%0.231CC..Iπ-helixtrans-61.3-50.9176.4-179.568.9000111.6F14 F17 F18 L117 E125 F126 W215 M242F14-L121 HydrophobicContact CD2-CD2 3.57Å; F14-L121 HydrophobicContact CE2-CD2 3.9Å; F17-L121 HydrophobicContact CB-CD1 3.75Å; F17-L121 HydrophobicContact CD1-CB 4.06Å; F17-L121 HydrophobicContact CD1-CD1 3.65Å; F17-L121 HydrophobicContact CD1-CD2 4.42Å; F17-L121 HydrophobicContact CD1-CG 4.25Å; F17-L121 HydrophobicContact CD2-CD1 4.1Å; F17-L121 HydrophobicContact CE1-CB 3.75Å; F17-L121 HydrophobicContact CE1-CD1 4.24Å; F17-L121 HydrophobicContact CE1-CG 4.44Å; F17-L121 HydrophobicContact CE2-CB 4.47Å; F17-L121 HydrophobicContact CG-CD1 3.56Å; F17-L121 HydrophobicContact CZ-CB 3.96Å; F18-L121 HydrophobicContact CE2-CD2 3.98Å; L117-L121 WeakPolarHBondContact O-CB 3.23Å; L117-L121 PolarHBondContact O-N 2.85Å; L121-E125 HydrophobicContact CD1-CB 3.96Å; L121-E125 HydrophobicContact CD1-CG 4.11Å; L121-E125 WeakPolarHBondContact O-CB 3.41Å; L121-E125 PolarHBondContact O-N 2.8Å; L121-F126 HydrophobicContact CD1-CD2 4.08Å; L121-F126 HydrophobicContact CD1-CE2 3.63Å; L121-F126 HydrophobicContact CD1-CZ 4.23Å; L121-F126 HydrophobicContact CD2-CE2 3.95Å; L121-F126 HydrophobicContact CG-CD2 3.85Å; L121-F126 HydrophobicContact CG-CE2 3.61Å; L121-F126 WeakPolarHBondContact O-CD2 3.49Å; L121-F126 PolarHBondContact O-N 3.36Å; L121-W215 HydrophobicContact CB-CH2 4.43Å; L121-W215 HydrophobicContact CB-CZ3 4.32Å; L121-W215 HydrophobicContact CD2-CH2 3.51Å; L121-W215 HydrophobicContact CD2-CZ3 3.77Å; L121-M242 HydrophobicContact CD2-CE 4.23Å
122L97.5Very high96.6Very high1 Ų146.1 Ų46.11%0.00524%0.238CC..Iπ-helixtrans-65.5-44.7-176.7-66.8175.7000111.8A118 L119 F126 G127 I128 L133 I190 I214 W215 M242 L247A118-L122 WeakPolarHBondContact O-CG 3.39Å; A118-L122 PolarHBondContact O-N 2.85Å; A118-L122 VanDerWaalsContact O-N 3.12Å; L119-L122 PolarHBondContact O-N 2.84Å; L122-F126 CarbonylContact O-C 3.57Å; L122-G127 PolarHBondContact O-N 3.05Å; L122-I128 HydrophobicContact CB-CD1 4.39Å; L122-I128 HydrophobicContact CD2-CD1 3.87Å; L122-I128 VanDerWaalsContact O-CB 3.3Å; L122-I128 WeakPolarHBondContact O-CB 3.34Å; L122-I128 PolarHBondContact O-N 3.26Å; L122-L133 HydrophobicContact CB-CD1 4.45Å; L122-L133 HydrophobicContact CD1-CD1 4.24Å; L122-L133 HydrophobicContact CD1-CD2 4.49Å; L122-I190 HydrophobicContact CD1-CD1 4.02Å; L122-I190 HydrophobicContact CD1-CG2 3.83Å; L122-I214 HydrophobicContact CD1-CD1 4.06Å; L122-I214 HydrophobicContact CD2-CD1 3.97Å; L122-W215 HydrophobicContact CD1-CE3 4.1Å; L122-W215 HydrophobicContact CD2-CE3 4.37Å; L122-W215 HydrophobicContact CG-CE3 4.15Å; L122-W215 HydrophobicContact CG-CZ3 4.19Å; L122-M242 HydrophobicContact CD2-CE 3.99Å; L122-L247 HydrophobicContact CD2-CD1 4.33Å
123T96.5Very high96.6Very high36 Ų3639.1 Ų39.122%0.22121%0.205CC..Iπ-helixtrans-89.7-38.7-171.162.10000113.8L119 G127 I128 V130 L133L119-T123 HydrophobicContact CD1-CG2 3.75Å; L119-T123 HydrophobicContact CG-CG2 4.3Å; L119-T123 WeakPolarHBondContact O-CB 3.32Å; L119-T123 WeakPolarHBondContact O-CG2 3.23Å; L119-T123 PolarHBondContact O-N 3.35Å; L119-T123 PolarHBondContact O-OG1 3.43Å; T123-G127 VanDerWaalsContact O-CA 3.28Å; T123-G127 WeakPolarHBondContact O-CA 3.49Å; T123-G127 PolarHBondContact O-N 3.41Å; T123-I128 WeakPolarHBondContact CA-O 3.21Å; T123-V130 HydrophobicContact CG2-CB 4Å; T123-V130 HydrophobicContact CG2-CG2 4.38Å; T123-L133 HydrophobicContact CG2-CD1 4.23Å
124K95.8Very high96.6Very high143 Ų14336.6 Ų36.662%0.62219%0.192SC*.Iπ-helixtrans-93.3-46.4-175.3-57.4174.6177.1162.70112.3D120D120-K124 HydrophobicContact CB-CD 4.19Å; D120-K124 VanDerWaalsContact CG-NZ 3.33Å; D120-K124 WeakPolarHBondContact O-CA 3.49Å; D120-K124 WeakPolarHBondContact O-CB 3.33Å; D120-K124 PolarHBondContact O-N 3.01Å; D120-K124 WeakPolarHBondContact OD1-CE 3.43Å; D120-K124 IonicContact OD1-NZ 3.02Å; D120-K124 PolarHBondContact OD1-NZ 3.24Å; D120-K124 IonicContact OD2-NZ 3.02Å; D120-K124 PolarHBondContact OD2-NZ 3.23Å
125E95.1Very high96.6Very high92 Ų9236.5 Ų36.543%0.4319%0.191SC..Iπ-helixtrans-81.2-41.2-177.8-62.6-59.1146.600112.9F17 D120 L121F17-E125 HydrophobicContact CD2-CG 3.45Å; F17-E125 VanDerWaalsContact CD2-CG 3.45Å; F17-E125 HydrophobicContact CE2-CG 3.83Å; F17-E125 HydrophobicContact CG-CG 4.28Å; D120-E125 PolarHBondContact O-N 3.47Å; L121-E125 HydrophobicContact CD1-CB 3.96Å; L121-E125 HydrophobicContact CD1-CG 4.11Å; L121-E125 WeakPolarHBondContact O-CB 3.41Å; L121-E125 PolarHBondContact O-N 2.8Å
126F95.6Very high96.6Very high18 Ų1836.6 Ų36.68%0.07919%0.192CC..SBendtrans-98.7-9.8-179.7-67.6-50.3000114.3L5 I10 R13 F14 L121 L122 I128 L247 L251L5-F126 HydrophobicContact CD1-CD1 4.34Å; I10-F126 HydrophobicContact CG2-CE1 4.06Å; I10-F126 HydrophobicContact CG2-CZ 4.04Å; R13-F126 HydrophobicContact CB-CE1 3.99Å; R13-F126 HydrophobicContact CB-CZ 4.31Å; F14-F126 HydrophobicContact CB-CZ 4.5Å; L121-F126 HydrophobicContact CD1-CD2 4.08Å; L121-F126 HydrophobicContact CD1-CE2 3.63Å; L121-F126 HydrophobicContact CD1-CZ 4.23Å; L121-F126 HydrophobicContact CD2-CE2 3.95Å; L121-F126 HydrophobicContact CG-CD2 3.85Å; L121-F126 HydrophobicContact CG-CE2 3.61Å; L121-F126 WeakPolarHBondContact O-CD2 3.49Å; L121-F126 PolarHBondContact O-N 3.36Å; L122-F126 CarbonylContact O-C 3.57Å; F126-I128 VanDerWaalsContact C-N 3.26Å; F126-I128 HydrophobicContact CB-CD1 4.49Å; F126-I128 HydrophobicContact CB-CG1 4.34Å; F126-I128 PolarHBondContact O-N 2.75Å; F126-L247 HydrophobicContact CD2-CD2 4.26Å; F126-L247 HydrophobicContact CE2-CD2 3.75Å; F126-L247 HydrophobicContact CZ-CD2 4.02Å; F126-L251 HydrophobicContact CB-CD1 4.25Å; F126-L251 HydrophobicContact CB-CD2 3.92Å; F126-L251 HydrophobicContact CD1-CD1 3.6Å; F126-L251 HydrophobicContact CE1-CD1 4.04Å; F126-L251 HydrophobicContact CG-CD1 3.92Å; F126-L251 HydrophobicContact CG-CD2 4.48Å
127G94.6Very high96.6Very high52 Ų5233.1 Ų33.154%0.53618%0.176SC..  trans69.319.7175.200000114.6L122 T123 P129L122-G127 PolarHBondContact O-N 3.05Å; T123-G127 VanDerWaalsContact O-CA 3.28Å; T123-G127 WeakPolarHBondContact O-CA 3.49Å; T123-G127 PolarHBondContact O-N 3.41Å; G127-P129 WeakPolarHBondContact O-CD 3.28Å
128I94.9Very high96.5Very high8 Ų833.1 Ų33.14%0.04118%0.176CC..  trans-69.4126.5177-62.6173.9000108.4L122 T123 F126 V130 L133 Y192 L247 V250 L251L122-I128 HydrophobicContact CB-CD1 4.39Å; L122-I128 HydrophobicContact CD2-CD1 3.87Å; L122-I128 VanDerWaalsContact O-CB 3.3Å; L122-I128 WeakPolarHBondContact O-CB 3.34Å; L122-I128 PolarHBondContact O-N 3.26Å; T123-I128 WeakPolarHBondContact CA-O 3.21Å; F126-I128 VanDerWaalsContact C-N 3.26Å; F126-I128 HydrophobicContact CB-CD1 4.49Å; F126-I128 HydrophobicContact CB-CG1 4.34Å; F126-I128 PolarHBondContact O-N 2.75Å; I128-V130 PolarHBondContact O-N 3.23Å; I128-L133 HydrophobicContact CG2-CD2 3.99Å; I128-L133 HydrophobicContact CG2-CG 4.4Å; I128-Y192 HydrophobicContact CG2-CD2 3.74Å; I128-Y192 HydrophobicContact CG2-CE2 3.67Å; I128-L247 HydrophobicContact CD1-CD1 4.05Å; I128-V250 HydrophobicContact CD1-CG1 4.17Å; I128-L251 HydrophobicContact CD1-CD2 3.97Å; I128-L251 HydrophobicContact CG1-CD2 3.82Å
129P93.9Very high96.5Very high48 Ų4834.5 Ų34.531%0.31219%0.19SC..  trans-65.2129.5-179.9-17.429.1000111.7G127 E131 R132G127-P129 WeakPolarHBondContact O-CD 3.28Å; P129-E131 WeakPolarHBondContact CB-OE1 3.22Å; P129-E131 VanDerWaalsContact CB-OE2 3.29Å; P129-E131 WeakPolarHBondContact CB-OE2 3.45Å; P129-E131 PolarHBondContact O-N 3.15Å; P129-R132 HydrophobicContact CB-CG 4.28Å; P129-R132 WeakPolarHBondContact O-CB 3.49Å; P129-R132 PolarHBondContact O-N 3.23Å
130V94.8Very high96.3Very high61 Ų6134.6 Ų34.637%0.3720%0.195SC..G310 helixtrans-62.8-31.6-175.267.10000112.2L119 T123 I128 R132 L133 L161L119-V130 HydrophobicContact CD1-CG2 4.1Å; T123-V130 HydrophobicContact CG2-CB 4Å; T123-V130 HydrophobicContact CG2-CG2 4.38Å; I128-V130 PolarHBondContact O-N 3.23Å; V130-R132 PolarHBondContact O-N 3.37Å; V130-L133 WeakPolarHBondContact O-CB 3.15Å; V130-L133 PolarHBondContact O-N 2.89Å; V130-L161 HydrophobicContact CG2-CD1 4.33Å; V130-L161 HydrophobicContact CG2-CG 4.44Å
131E93.9Very high96.1Very high96 Ų9635.3 Ų35.345%0.44920%0.199SC..G310 helixtrans-71.7-1.2175.676.1-75.9-17800113.7P129 R165P129-E131 WeakPolarHBondContact CB-OE1 3.22Å; P129-E131 VanDerWaalsContact CB-OE2 3.29Å; P129-E131 WeakPolarHBondContact CB-OE2 3.45Å; P129-E131 PolarHBondContact O-N 3.15Å; E131-R165 PolarHBondContact O-NH1 3.43Å; E131-R165 PolarHBondContact O-NH2 2.9Å
132R95Very high95.7Very high51 Ų5144.4 Ų44.419%0.19224%0.241CC..G310 helixtrans-100.7-5.4169.1-65.7-174168.5-131.4-12.9112.7P129 V130 Y192 D193 R194 I195P129-R132 HydrophobicContact CB-CG 4.28Å; P129-R132 WeakPolarHBondContact O-CB 3.49Å; P129-R132 PolarHBondContact O-N 3.23Å; V130-R132 PolarHBondContact O-N 3.37Å; R132-Y192 HydrophobicContact CB-CD2 3.82Å; R132-Y192 HydrophobicContact CB-CE2 3.47Å; R132-Y192 VanDerWaalsContact CB-CE2 3.47Å; R132-Y192 WeakPolarHBondContact CD-OH 3.19Å; R132-Y192 HydrophobicContact CG-CE2 4.22Å; R132-Y192 PolarHBondContact NH1-OH 3.17Å; R132-Y192 VanDerWaalsContact NH1-OH 3.15Å; R132-D193 PolarHBondContact O-N 3.23Å; R132-R194 PolarHBondContact NH1-O 3.28Å; R132-I195 PolarHBondContact NH2-O 2.91Å; R132-I195 VanDerWaalsContact NH2-O 3.16Å
133L97.1Very high95.2Very high2 Ų249.3 Ų49.31%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-90.5143.2-179.7-59.1178000111.2L119 L122 T123 I128 V130 R165 I190 H191 Y192 I214L119-L133 HydrophobicContact CD1-CD1 4.2Å; L122-L133 HydrophobicContact CB-CD1 4.45Å; L122-L133 HydrophobicContact CD1-CD1 4.24Å; L122-L133 HydrophobicContact CD1-CD2 4.49Å; T123-L133 HydrophobicContact CG2-CD1 4.23Å; I128-L133 HydrophobicContact CG2-CD2 3.99Å; I128-L133 HydrophobicContact CG2-CG 4.4Å; V130-L133 WeakPolarHBondContact O-CB 3.15Å; V130-L133 PolarHBondContact O-N 2.89Å; L133-R165 WeakPolarHBondContact O-CD 3.41Å; L133-R165 PolarHBondContact O-NH1 2.73Å; L133-I190 HydrophobicContact CD2-CG2 4.06Å; L133-H191 CarbonylContact C-O 3.56Å; L133-H191 VanDerWaalsContact CA-O 3.3Å; L133-H191 WeakPolarHBondContact CA-O 3.46Å; L133-Y192 HydrophobicContact CD2-CD2 4.16Å; L133-I214 HydrophobicContact CD2-CD1 4.35Å
134Y98.2Very high94.5Very high3 Ų349.7 Ų49.71%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-124.1140.6164.4-69.9-96.4000107.5R165 L167 H191 D193 R198 A200 V204Y134-R165 WeakPolarHBondContact CA-O 3.4Å; Y134-R165 HydrophobicContact CD1-CB 4.07Å; Y134-R165 HydrophobicContact CD1-CG 4.07Å; Y134-R165 HydrophobicContact CE1-CB 4.37Å; Y134-R165 HydrophobicContact CE1-CG 3.88Å; Y134-R165 VanDerWaalsContact CZ-NH1 3.27Å; Y134-L167 HydrophobicContact CD1-CD1 4.21Å; Y134-H191 PolarHBondContact N-O 3.37Å; Y134-H191 PolarHBondContact O-N 3.09Å; Y134-D193 HydrophobicContact CE2-CB 4.16Å; Y134-R198 PolarHBondContact OH-O 2.8Å; Y134-A200 HydrophobicContact CE2-CB 3.92Å; Y134-A200 PolarHBondContact OH-N 3.46Å; Y134-V204 HydrophobicContact CD1-CG2 4.24Å; Y134-V204 HydrophobicContact CG-CG2 3.97Å
135V98.2Very high94.2Very high2 Ų245.8 Ų45.81%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-124.6146.1177.5-59.80000109.9W156 L161 R165 I166 L167 E189 I190V135-W156 HydrophobicContact CB-CD2 4.26Å; V135-W156 HydrophobicContact CB-CG 4.42Å; V135-W156 HydrophobicContact CB-CZ2 4.4Å; V135-W156 HydrophobicContact CG1-CD2 4.2Å; V135-W156 HydrophobicContact CG1-CE3 4.36Å; V135-W156 HydrophobicContact CG1-CH2 4.22Å; V135-W156 HydrophobicContact CG1-CZ2 4.04Å; V135-W156 HydrophobicContact CG1-CZ3 4.36Å; V135-W156 HydrophobicContact CG2-CB 4.09Å; V135-W156 HydrophobicContact CG2-CD2 3.87Å; V135-W156 HydrophobicContact CG2-CG 3.64Å; V135-L161 HydrophobicContact CB-CD2 4.2Å; V135-L161 HydrophobicContact CG1-CD2 3.56Å; V135-L161 HydrophobicContact CG2-CD2 3.54Å; V135-R165 PolarHBondContact N-O 3.08Å; V135-I166 HydrophobicContact CG2-CB 4.22Å; V135-I166 HydrophobicContact CG2-CG1 3.79Å; V135-I166 HydrophobicContact CG2-CG2 4.19Å; V135-I166 CarbonylContact O-C 3.58Å; V135-I166 WeakPolarHBondContact O-CA 3.21Å; V135-L167 PolarHBondContact O-N 3.31Å; V135-E189 CarbonylContact C-O 3.57Å; V135-E189 VanDerWaalsContact CA-O 3.31Å; V135-E189 WeakPolarHBondContact CA-O 3.42Å; V135-I190 HydrophobicContact CG1-CG1 4.16Å; V135-I190 HydrophobicContact CG1-CG2 4.32Å
136T98.2Very high94Very high2 Ų242.5 Ų42.51%0.01227%0.274CS..EExtended strand (participates in β ladder)trans-108.4158.2176.658.70000111.8L167 N174 S188 E189 V204T136-L167 CarbonylContact C-O 3.57Å; T136-L167 WeakPolarHBondContact CA-O 3.23Å; T136-L167 HydrophobicContact CG2-CB 4.45Å; T136-N174 WeakPolarHBondContact CB-OD1 3.36Å; T136-N174 PolarHBondContact OG1-ND2 2.88Å; T136-N174 PolarHBondContact OG1-OD1 3.48Å; T136-S188 VanDerWaalsContact O-CA 3.31Å; T136-S188 WeakPolarHBondContact O-CA 3.36Å; T136-S188 WeakPolarHBondContact O-CB 3.32Å; T136-S188 PolarHBondContact O-OG 3.02Å; T136-E189 PolarHBondContact N-O 3.19Å; T136-E189 WeakPolarHBondContact OG1-CB 3.35Å; T136-E189 PolarHBondContact OG1-N 3.41Å; T136-E189 PolarHBondContact OG1-O 3.41Å; T136-V204 HydrophobicContact CG2-CG1 3.61Å
137Y97.9Very high94Very high27 Ų2748.9 Ų48.911%0.10630%0.304CS..EExtended strand (participates in β ladder)trans-134.7153.4166.870.9-84.2000109.6G139 D149 L150 K153 I166 L167 P168 G169Y137-G139 PolarHBondContact O-N 3.3Å; Y137-G139 VanDerWaalsContact O-N 3.16Å; Y137-D149 WeakPolarHBondContact CD2-O 3.45Å; Y137-L150 HydrophobicContact CE2-CD2 4.19Å; Y137-K153 HydrophobicContact CD1-CB 3.99Å; Y137-K153 HydrophobicContact CD1-CG 4.31Å; Y137-K153 HydrophobicContact CD2-CB 4.29Å; Y137-K153 HydrophobicContact CE1-CB 4.12Å; Y137-K153 HydrophobicContact CE1-CD 3.95Å; Y137-K153 HydrophobicContact CE1-CG 4.08Å; Y137-K153 HydrophobicContact CE2-CB 4.43Å; Y137-K153 HydrophobicContact CG-CB 4.08Å; Y137-I166 HydrophobicContact CD1-CG2 3.97Å; Y137-I166 HydrophobicContact CE1-CG2 4.36Å; Y137-L167 VanDerWaalsContact CD1-O 3.28Å; Y137-L167 WeakPolarHBondContact CD1-O 3.36Å; Y137-L167 PolarHBondContact N-O 3.2Å; Y137-P168 HydrophobicContact CE1-CB 4.03Å; Y137-P168 HydrophobicContact CE2-CB 4.29Å; Y137-G169 PolarHBondContact O-N 3.17Å
138F97.8Very high94Very high4 Ų449 Ų492%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-64.5117.2179.8-179.6-119.1000111.9G140 N141 L146 Q147 P148 D149 M171 N174 F175 P186F138-G140 VanDerWaalsContact C-N 3.26Å; F138-G140 VanDerWaalsContact CE1-CA 3.44Å; F138-G140 VanDerWaalsContact CZ-C 3.48Å; F138-G140 PolarHBondContact O-N 3.36Å; F138-N141 HydrophobicContact CZ-CB 4.15Å; F138-L146 HydrophobicContact CE1-CB 3.82Å; F138-L146 HydrophobicContact CE1-CD1 4.45Å; F138-L146 HydrophobicContact CZ-CB 4.02Å; F138-L146 HydrophobicContact CZ-CD1 4.18Å; F138-Q147 WeakPolarHBondContact CE1-O 3.49Å; F138-P148 CarbonylContact O-C 3.52Å; F138-P148 WeakPolarHBondContact O-CA 3.46Å; F138-D149 HydrophobicContact CB-CB 4.06Å; F138-D149 PolarHBondContact O-N 2.98Å; F138-M171 HydrophobicContact CE2-CB 4.12Å; F138-M171 HydrophobicContact CE2-CG 4.44Å; F138-N174 HydrophobicContact CB-CB 3.97Å; F138-N174 WeakPolarHBondContact CB-O 3.26Å; F138-N174 HydrophobicContact CD2-CB 4.02Å; F138-N174 WeakPolarHBondContact CD2-O 3.29Å; F138-F175 HydrophobicContact CD2-CB 4.31Å; F138-F175 HydrophobicContact CE1-CD2 4.37Å; F138-F175 HydrophobicContact CE2-CB 4.03Å; F138-F175 HydrophobicContact CE2-CD2 4.3Å; F138-F175 HydrophobicContact CZ-CD2 4.1Å; F138-P186 HydrophobicContact CB-CB 3.66Å; F138-P186 HydrophobicContact CD1-CB 3.94Å; F138-P186 HydrophobicContact CG-CB 3.91Å
139G96.5Very high94.1Very high30 Ų3049.2 Ų49.231%0.30930%0.297SS..  trans-78.60.1-177.300000115.2Y137 P148 G169Y137-G139 PolarHBondContact O-N 3.3Å; Y137-G139 VanDerWaalsContact O-N 3.16Å; G139-P148 WeakPolarHBondContact O-CG 3.34Å; G139-G169 WeakPolarHBondContact CA-O 3.5Å; G139-G169 PolarHBondContact N-O 2.81Å
140G94.6Very high94.3Very high18 Ų1852 Ų5219%0.18631%0.309CS..  trans90.4166.1-177.100000113.5F138 L146F138-G140 VanDerWaalsContact C-N 3.26Å; F138-G140 VanDerWaalsContact CE1-CA 3.44Å; F138-G140 VanDerWaalsContact CZ-C 3.48Å; F138-G140 PolarHBondContact O-N 3.36Å; G140-L146 WeakPolarHBondContact CA-O 3.47Å
141N94.4Very high94.4Very high48 Ų4854.1 Ų54.126%0.25732%0.315SS..BIsolated β-bridgetrans-150.2107171.6-172.3-63.8000109.9F138 A143 A144 G145 L146 M171F138-N141 HydrophobicContact CZ-CB 4.15Å; N141-A143 PolarHBondContact O-N 2.67Å; N141-A143 PolarHBondContact OD1-N 3.05Å; N141-A143 VanDerWaalsContact OD1-N 3.17Å; N141-A144 HydrophobicContact CB-CB 4.17Å; N141-A144 PolarHBondContact O-N 3.21Å; N141-A144 WeakPolarHBondContact OD1-CB 3.45Å; N141-A144 PolarHBondContact OD1-N 2.83Å; N141-G145 PolarHBondContact O-N 2.86Å; N141-G145 VanDerWaalsContact O-N 3.14Å; N141-L146 CarbonylContact C-O 3.59Å; N141-L146 HydrophobicContact CB-CB 4.5Å; N141-L146 PolarHBondContact N-O 3.46Å; N141-L146 PolarHBondContact O-N 2.8Å; N141-M171 HydrophobicContact CB-CB 4.23Å; N141-M171 HydrophobicContact CB-CG 4.49Å; N141-M171 HydrophobicContact CB-SD 3.67Å; N141-M171 PolarHBondContact ND2-SD 2.9Å; N141-M171 VanDerWaalsContact ND2-SD 3.37Å
142E90.1Very high94.6Very high190 Ų19049.6 Ų49.689%0.88829%0.294SS*.THydrogen-bonded Turntrans-65.1-38.9-176.5-169.4175-171.200112.4A144 G145E142-A144 VanDerWaalsContact C-N 3.27Å; E142-A144 PolarHBondContact O-N 3.3Å; E142-G145 PolarHBondContact O-N 3.32Å
143A86.2Confident94.8Very high104 Ų10449.4 Ų49.486%0.8629%0.294SS*.THydrogen-bonded Turntrans-64.1-31.7179.200000112.9N141N141-A143 PolarHBondContact O-N 2.67Å; N141-A143 PolarHBondContact OD1-N 3.05Å; N141-A143 VanDerWaalsContact OD1-N 3.17Å
144A82.8Confident94.8Very high45 Ų4553.9 Ų53.937%0.37232%0.315SS..THydrogen-bonded Turntrans-91.80.6174.900000113.4N141 E142 L146 M171N141-A144 HydrophobicContact CB-CB 4.17Å; N141-A144 PolarHBondContact O-N 3.21Å; N141-A144 WeakPolarHBondContact OD1-CB 3.45Å; N141-A144 PolarHBondContact OD1-N 2.83Å; E142-A144 VanDerWaalsContact C-N 3.27Å; E142-A144 PolarHBondContact O-N 3.3Å; A144-L146 VanDerWaalsContact C-N 3.29Å; A144-L146 HydrophobicContact CB-CD1 3.97Å; A144-L146 HydrophobicContact CB-CG 4.16Å; A144-L146 PolarHBondContact O-N 2.85Å; A144-M171 HydrophobicContact CB-CE 4.06Å; A144-M171 HydrophobicContact CB-SD 3.93Å
145G87.8Confident94.9Very high60 Ų6054.7 Ų54.762%0.61932%0.319SS*.THydrogen-bonded Turntrans68.323.4-178.100000114.5N141 E142N141-G145 PolarHBondContact O-N 2.86Å; N141-G145 VanDerWaalsContact O-N 3.14Å; E142-G145 PolarHBondContact O-N 3.32Å
146L91.8Very high94.9Very high23 Ų2354.6 Ų54.612%0.1232%0.319CS..BIsolated β-bridgetrans-103.2129.3-175.2-65.4170.4000111.5F138 G140 N141 A144 M171 F175 F222 L230F138-L146 HydrophobicContact CE1-CB 3.82Å; F138-L146 HydrophobicContact CE1-CD1 4.45Å; F138-L146 HydrophobicContact CZ-CB 4.02Å; F138-L146 HydrophobicContact CZ-CD1 4.18Å; G140-L146 WeakPolarHBondContact CA-O 3.47Å; N141-L146 CarbonylContact C-O 3.59Å; N141-L146 HydrophobicContact CB-CB 4.5Å; N141-L146 PolarHBondContact N-O 3.46Å; N141-L146 PolarHBondContact O-N 2.8Å; A144-L146 VanDerWaalsContact C-N 3.29Å; A144-L146 HydrophobicContact CB-CD1 3.97Å; A144-L146 HydrophobicContact CB-CG 4.16Å; A144-L146 PolarHBondContact O-N 2.85Å; L146-M171 HydrophobicContact CD1-CE 4.12Å; L146-M171 HydrophobicContact CD1-SD 4.43Å; L146-F175 HydrophobicContact CD1-CD2 3.8Å; L146-F175 HydrophobicContact CD1-CE2 3.47Å; L146-F175 VanDerWaalsContact CD1-CE2 3.47Å; L146-F175 HydrophobicContact CD1-CZ 4.09Å; L146-F175 HydrophobicContact CD2-CE2 4.33Å; L146-F222 HydrophobicContact CD2-CE2 4.25Å; L146-F222 HydrophobicContact CD2-CZ 4.46Å; L146-L230 HydrophobicContact CD1-CD1 4.02Å; L146-L230 HydrophobicContact CD2-CD1 3.91Å; L146-L230 HydrophobicContact CG-CD1 4.35Å
147Q94.5Very high94.9Very high153 Ų15356.9 Ų56.972%0.71533%0.331SS*.PPolyproline II helixtrans-83155.9179.7-63.9-59.5-51.800112.4F138F138-Q147 WeakPolarHBondContact CE1-O 3.49Å
148P96.3Very high94.9Very high55 Ų5561.3 Ų61.336%0.35736%0.356SS..PPolyproline II helixtrans-61.6141.8171.2-15.527000112.3F138 G139 L150F138-P148 CarbonylContact O-C 3.52Å; F138-P148 WeakPolarHBondContact O-CA 3.46Å; G139-P148 WeakPolarHBondContact O-CG 3.34Å; P148-L150 VanDerWaalsContact C-N 3.32Å; P148-L150 HydrophobicContact CB-CD2 4.33Å; P148-L150 HydrophobicContact CB-CG 4.38Å; P148-L150 PolarHBondContact O-N 3.5Å
149D96.9Very high94.8Very high11 Ų1163.7 Ų63.76%0.05937%0.369CS..  trans-84.869.5178.4-164.6-15.1000111.8K111 Y137 F138 E151 C152 K153K111-D149 WeakPolarHBondContact CE-OD2 3.47Å; K111-D149 IonicContact NZ-OD1 3.8Å; K111-D149 PolarHBondContact NZ-OD1 3.38Å; K111-D149 IonicContact NZ-OD2 3.37Å; K111-D149 PolarHBondContact NZ-OD2 3.31Å; Y137-D149 WeakPolarHBondContact CD2-O 3.45Å; F138-D149 HydrophobicContact CB-CB 4.06Å; F138-D149 PolarHBondContact O-N 2.98Å; D149-E151 PolarHBondContact O-N 2.95Å; D149-C152 HydrophobicContact CB-CB 4.33Å; D149-C152 PolarHBondContact O-N 2.93Å; D149-C152 PolarHBondContact OD1-N 2.9Å; D149-K153 PolarHBondContact O-N 3.22Å
150L97.8Very high94.7Very high108 Ų10865.2 Ų65.257%0.56538%0.384SS*.Hα-helixtrans-68.2-21.6179.4-60.8-178.1000113.2Y137 P148 K153 Q154Y137-L150 HydrophobicContact CE2-CD2 4.19Å; P148-L150 VanDerWaalsContact C-N 3.32Å; P148-L150 HydrophobicContact CB-CD2 4.33Å; P148-L150 HydrophobicContact CB-CG 4.38Å; P148-L150 PolarHBondContact O-N 3.5Å; L150-K153 PolarHBondContact O-N 3.16Å; L150-Q154 PolarHBondContact O-N 3.24Å
151E97.4Very high94.7Very high105 Ų10564.8 Ų64.849%0.49138%0.378SS..Hα-helixtrans-62.1-47.8172.4-179.8-172.1-164.300110.3K111 D149 K153 Q154 I155K111-E151 HydrophobicContact CD-CG 4.19Å; K111-E151 WeakPolarHBondContact CD-OE2 3.13Å; K111-E151 IonicContact NZ-OE2 2.66Å; K111-E151 PolarHBondContact NZ-OE2 3.4Å; D149-E151 PolarHBondContact O-N 2.95Å; E151-K153 VanDerWaalsContact C-N 3.34Å; E151-K153 PolarHBondContact O-N 3Å; E151-Q154 PolarHBondContact O-N 3.44Å; E151-I155 HydrophobicContact CG-CD1 4.05Å; E151-I155 WeakPolarHBondContact O-CG1 3.38Å; E151-I155 PolarHBondContact O-N 3.32Å
152C97.9Very high94.8Very high1 Ų165.3 Ų65.31%0.00739%0.389CS..Hα-helixtrans-61.9-40.4176.1-172.10000112.2D149 Q154 I155 W156 F219D149-C152 HydrophobicContact CB-CB 4.33Å; D149-C152 PolarHBondContact O-N 2.93Å; D149-C152 PolarHBondContact OD1-N 2.9Å; C152-Q154 VanDerWaalsContact C-N 3.34Å; C152-Q154 PolarHBondContact O-N 3.2Å; C152-I155 PolarHBondContact O-N 3.01Å; C152-W156 VanDerWaalsContact O-CD1 3.23Å; C152-W156 PolarHBondContact O-N 2.95Å; C152-F219 HydrophobicContact CB-CE2 4.05Å
153K98.1Very high95Very high47 Ų4762 Ų6220%0.20437%0.373CS..Hα-helixtrans-57.2-48.1174.9-179.6-178.1176.4-178.50110.9Y137 D149 L150 E151 W156 L157 E163 I166Y137-K153 HydrophobicContact CD1-CB 3.99Å; Y137-K153 HydrophobicContact CD1-CG 4.31Å; Y137-K153 HydrophobicContact CD2-CB 4.29Å; Y137-K153 HydrophobicContact CE1-CB 4.12Å; Y137-K153 HydrophobicContact CE1-CD 3.95Å; Y137-K153 HydrophobicContact CE1-CG 4.08Å; Y137-K153 HydrophobicContact CE2-CB 4.43Å; Y137-K153 HydrophobicContact CG-CB 4.08Å; D149-K153 PolarHBondContact O-N 3.22Å; L150-K153 PolarHBondContact O-N 3.16Å; E151-K153 VanDerWaalsContact C-N 3.34Å; E151-K153 PolarHBondContact O-N 3Å; K153-W156 PolarHBondContact O-N 3.06Å; K153-L157 HydrophobicContact CG-CD1 4.42Å; K153-L157 PolarHBondContact O-N 3.22Å; K153-E163 IonicContact NZ-OE1 3.82Å; K153-E163 PolarHBondContact NZ-OE1 3.15Å; K153-I166 HydrophobicContact CB-CG2 4.49Å; K153-I166 HydrophobicContact CG-CG2 3.96Å
154Q98.4Very high95.4Very high96 Ų9659.7 Ų59.745%0.44936%0.359SS..Hα-helixtrans-65.7-41-177.8-170.959.75100112.1L150 E151 C152 W156 L157 D158L150-Q154 PolarHBondContact O-N 3.24Å; E151-Q154 PolarHBondContact O-N 3.44Å; C152-Q154 VanDerWaalsContact C-N 3.34Å; C152-Q154 PolarHBondContact O-N 3.2Å; Q154-W156 VanDerWaalsContact C-N 3.3Å; Q154-W156 PolarHBondContact O-N 3.02Å; Q154-L157 WeakPolarHBondContact O-CB 3.41Å; Q154-L157 PolarHBondContact O-N 3.25Å; Q154-L157 VanDerWaalsContact O-N 3.15Å; Q154-D158 PolarHBondContact NE2-OD1 2.96Å; Q154-D158 VanDerWaalsContact O-CG 3.25Å; Q154-D158 PolarHBondContact O-N 3.46Å
155I98.6Very high96Very high19 Ų1959.7 Ų59.710%0.09735%0.35CS..Hα-helixtrans-56.5-44.8176.4-70.9163.4000111.1K111 E112 C115 E151 C152 L157 D158 L159K111-I155 HydrophobicContact CB-CD1 3.53Å; K111-I155 HydrophobicContact CD-CD1 4.47Å; E112-I155 HydrophobicContact CB-CD1 4.29Å; C115-I155 HydrophobicContact CB-CG2 3.69Å; E151-I155 HydrophobicContact CG-CD1 4.05Å; E151-I155 WeakPolarHBondContact O-CG1 3.38Å; E151-I155 PolarHBondContact O-N 3.32Å; C152-I155 PolarHBondContact O-N 3.01Å; I155-L157 PolarHBondContact O-N 3.5Å; I155-D158 PolarHBondContact O-N 2.96Å; I155-L159 HydrophobicContact CG2-CD1 3.92Å; I155-L159 HydrophobicContact CG2-CG 4.46Å; I155-L159 WeakPolarHBondContact O-CB 3.33Å; I155-L159 VanDerWaalsContact O-CG 3.26Å; I155-L159 WeakPolarHBondContact O-CG 3.45Å; I155-L159 PolarHBondContact O-N 3.46Å
156W98.3Very high96.5Very high1 Ų157.2 Ų57.20%0.00432%0.322CS..Hα-helixtrans-66.3-35.9178.7-74.5125.7000113.4C115 L119 V135 C152 K153 Q154 L159 G160 L161 I166 S188 I190 L217C115-W156 HydrophobicContact CB-CD2 4.29Å; C115-W156 HydrophobicContact CB-CE3 4.28Å; C115-W156 HydrophobicContact CB-CH2 3.76Å; C115-W156 HydrophobicContact CB-CZ2 3.76Å; C115-W156 HydrophobicContact CB-CZ3 4.03Å; L119-W156 HydrophobicContact CB-CZ3 4.15Å; V135-W156 HydrophobicContact CB-CD2 4.26Å; V135-W156 HydrophobicContact CB-CG 4.42Å; V135-W156 HydrophobicContact CB-CZ2 4.4Å; V135-W156 HydrophobicContact CG1-CD2 4.2Å; V135-W156 HydrophobicContact CG1-CE3 4.36Å; V135-W156 HydrophobicContact CG1-CH2 4.22Å; V135-W156 HydrophobicContact CG1-CZ2 4.04Å; V135-W156 HydrophobicContact CG1-CZ3 4.36Å; V135-W156 HydrophobicContact CG2-CB 4.09Å; V135-W156 HydrophobicContact CG2-CD2 3.87Å; V135-W156 HydrophobicContact CG2-CG 3.64Å; C152-W156 VanDerWaalsContact O-CD1 3.23Å; C152-W156 PolarHBondContact O-N 2.95Å; K153-W156 PolarHBondContact O-N 3.06Å; Q154-W156 VanDerWaalsContact C-N 3.3Å; Q154-W156 PolarHBondContact O-N 3.02Å; W156-L159 HydrophobicContact CE3-CD1 3.95Å; W156-L159 HydrophobicContact CZ3-CD1 4.09Å; W156-L159 PolarHBondContact O-N 3.39Å; W156-G160 PolarHBondContact O-N 2.9Å; W156-L161 HydrophobicContact CD2-CD2 4.45Å; W156-L161 HydrophobicContact CE3-CD1 3.92Å; W156-L161 HydrophobicContact CE3-CD2 3.98Å; W156-L161 HydrophobicContact CZ3-CD1 4.38Å; W156-L161 PolarHBondContact O-N 2.66Å; W156-L161 VanDerWaalsContact O-N 3.14Å; W156-I166 HydrophobicContact CB-CD1 3.7Å; W156-I166 HydrophobicContact CB-CG1 4.05Å; W156-I166 HydrophobicContact CB-CG2 4.38Å; W156-S188 PolarHBondContact NE1-OG 3.34Å; W156-I190 HydrophobicContact CH2-CD1 4.02Å; W156-I190 HydrophobicContact CZ2-CD1 4.35Å; W156-I190 HydrophobicContact CZ2-CG1 4.45Å; W156-L217 HydrophobicContact CH2-CD1 4.37Å; W156-L217 HydrophobicContact CZ2-CD1 3.96Å
157L97.8Very high96.8Very high50 Ų5057.6 Ų57.626%0.26232%0.324SS..Hα-helixtrans-63.3-45.6172.7-72.3168.6000111.2K153 Q154 I155 L159 G160 E163 I166K153-L157 HydrophobicContact CG-CD1 4.42Å; K153-L157 PolarHBondContact O-N 3.22Å; Q154-L157 WeakPolarHBondContact O-CB 3.41Å; Q154-L157 PolarHBondContact O-N 3.25Å; Q154-L157 VanDerWaalsContact O-N 3.15Å; I155-L157 PolarHBondContact O-N 3.5Å; L157-L159 VanDerWaalsContact C-N 3.26Å; L157-L159 PolarHBondContact O-N 3.4Å; L157-G160 WeakPolarHBondContact O-CA 3.37Å; L157-G160 PolarHBondContact O-N 3.34Å; L157-E163 HydrophobicContact CD2-CB 4.04Å; L157-I166 HydrophobicContact CB-CD1 4.44Å; L157-I166 HydrophobicContact CD2-CD1 3.59Å; L157-I166 HydrophobicContact CG-CD1 3.66Å
158D97.9Very high96.9Very high120 Ų12054.4 Ų54.464%0.64232%0.317SS*.Hα-helixtrans-66.8-29.9-179.1-64.9-16.6000112.1Q154 I155 G160Q154-D158 PolarHBondContact NE2-OD1 2.96Å; Q154-D158 VanDerWaalsContact O-CG 3.25Å; Q154-D158 PolarHBondContact O-N 3.46Å; I155-D158 PolarHBondContact O-N 2.96Å; D158-G160 PolarHBondContact O-N 2.85Å
159L97.1Very high96.8Very high53 Ų5352.3 Ų52.328%0.27731%0.305SS..THydrogen-bonded Turntrans-75.8-5.5172-69.1173.6000113.6C115 K116 L119 I155 W156 L157C115-L159 HydrophobicContact CB-CD1 3.7Å; K116-L159 HydrophobicContact CB-CD1 4.41Å; K116-L159 HydrophobicContact CB-CD2 3.96Å; K116-L159 HydrophobicContact CG-CD2 4.08Å; L119-L159 HydrophobicContact CD2-CB 3.9Å; I155-L159 HydrophobicContact CG2-CD1 3.92Å; I155-L159 HydrophobicContact CG2-CG 4.46Å; I155-L159 WeakPolarHBondContact O-CB 3.33Å; I155-L159 VanDerWaalsContact O-CG 3.26Å; I155-L159 WeakPolarHBondContact O-CG 3.45Å; I155-L159 PolarHBondContact O-N 3.46Å; W156-L159 HydrophobicContact CE3-CD1 3.95Å; W156-L159 HydrophobicContact CZ3-CD1 4.09Å; W156-L159 PolarHBondContact O-N 3.39Å; L157-L159 VanDerWaalsContact C-N 3.26Å; L157-L159 PolarHBondContact O-N 3.4Å
160G93.7Very high96.7Very high62 Ų6255.5 Ų55.564%0.63932%0.322SS*.THydrogen-bonded Turntrans96.914.9170.500000115.7W156 L157 D158W156-G160 PolarHBondContact O-N 2.9Å; L157-G160 WeakPolarHBondContact O-CA 3.37Å; L157-G160 PolarHBondContact O-N 3.34Å; D158-G160 PolarHBondContact O-N 2.85Å
161L95.5Very high96.4Very high10 Ų1052.6 Ų52.65%0.05231%0.307CS..  trans-75141.6171.9-81.770.4000110.6L119 V130 V135 W156 I166L119-L161 HydrophobicContact CD1-CD1 3.97Å; L119-L161 HydrophobicContact CD2-CD1 3.71Å; V130-L161 HydrophobicContact CG2-CD1 4.33Å; V130-L161 HydrophobicContact CG2-CG 4.44Å; V135-L161 HydrophobicContact CB-CD2 4.2Å; V135-L161 HydrophobicContact CG1-CD2 3.56Å; V135-L161 HydrophobicContact CG2-CD2 3.54Å; W156-L161 HydrophobicContact CD2-CD2 4.45Å; W156-L161 HydrophobicContact CE3-CD1 3.92Å; W156-L161 HydrophobicContact CE3-CD2 3.98Å; W156-L161 HydrophobicContact CZ3-CD1 4.38Å; W156-L161 PolarHBondContact O-N 2.66Å; W156-L161 VanDerWaalsContact O-N 3.14Å; L161-I166 HydrophobicContact CB-CD1 4.01Å; L161-I166 HydrophobicContact CB-CG1 4.08Å
162A94.9Very high96.1Very high59 Ų5956.1 Ų56.149%0.48832%0.32SS..  trans-66.1139.6175.500000110.9G164 R165A162-G164 VanDerWaalsContact C-N 3.25Å; A162-G164 PolarHBondContact O-N 2.97Å; A162-G164 VanDerWaalsContact O-N 3.17Å; A162-R165 HydrophobicContact CB-CG 4.48Å; A162-R165 WeakPolarHBondContact O-CA 3.4Å; A162-R165 WeakPolarHBondContact O-CB 3.45Å; A162-R165 PolarHBondContact O-N 3.44Å
163E95.1Very high95.7Very high120 Ų12057.5 Ų57.556%0.56133%0.328SS*.G310 helixtrans-56.1-38.2-176.7-176.1168.7-156.100113K153 L157 R165 I166K153-E163 IonicContact NZ-OE1 3.82Å; K153-E163 PolarHBondContact NZ-OE1 3.15Å; L157-E163 HydrophobicContact CD2-CB 4.04Å; E163-R165 PolarHBondContact O-N 2.94Å; E163-I166 PolarHBondContact O-N 2.75Å
164G94.3Very high95.6Very high55 Ų5555.3 Ų55.357%0.56732%0.318SS*.G310 helixtrans-65.9-5.8176.400000115.2A162A162-G164 VanDerWaalsContact C-N 3.25Å; A162-G164 PolarHBondContact O-N 2.97Å; A162-G164 VanDerWaalsContact O-N 3.17Å
165R95.9Very high95.5Very high45 Ų4551.2 Ų51.217%0.1730%0.299CS..G310 helixtrans-1071.1176-64.7178.1170.9-78.4-11112.9E131 L133 Y134 V135 A162 E163E131-R165 PolarHBondContact O-NH1 3.43Å; E131-R165 PolarHBondContact O-NH2 2.9Å; L133-R165 WeakPolarHBondContact O-CD 3.41Å; L133-R165 PolarHBondContact O-NH1 2.73Å; Y134-R165 WeakPolarHBondContact CA-O 3.4Å; Y134-R165 HydrophobicContact CD1-CB 4.07Å; Y134-R165 HydrophobicContact CD1-CG 4.07Å; Y134-R165 HydrophobicContact CE1-CB 4.37Å; Y134-R165 HydrophobicContact CE1-CG 3.88Å; Y134-R165 VanDerWaalsContact CZ-NH1 3.27Å; V135-R165 PolarHBondContact N-O 3.08Å; A162-R165 HydrophobicContact CB-CG 4.48Å; A162-R165 WeakPolarHBondContact O-CA 3.4Å; A162-R165 WeakPolarHBondContact O-CB 3.45Å; A162-R165 PolarHBondContact O-N 3.44Å; E163-R165 PolarHBondContact O-N 2.94Å
166I98.1Very high95.2Very high8 Ų852.2 Ų52.24%0.04130%0.301CS..EExtended strand (participates in β ladder)trans-111.7100.9179.4-54.8167.9000107.8V135 Y137 K153 W156 L157 L161 E163V135-I166 HydrophobicContact CG2-CB 4.22Å; V135-I166 HydrophobicContact CG2-CG1 3.79Å; V135-I166 HydrophobicContact CG2-CG2 4.19Å; V135-I166 CarbonylContact O-C 3.58Å; V135-I166 WeakPolarHBondContact O-CA 3.21Å; Y137-I166 HydrophobicContact CD1-CG2 3.97Å; Y137-I166 HydrophobicContact CE1-CG2 4.36Å; K153-I166 HydrophobicContact CB-CG2 4.49Å; K153-I166 HydrophobicContact CG-CG2 3.96Å; W156-I166 HydrophobicContact CB-CD1 3.7Å; W156-I166 HydrophobicContact CB-CG1 4.05Å; W156-I166 HydrophobicContact CB-CG2 4.38Å; L157-I166 HydrophobicContact CB-CD1 4.44Å; L157-I166 HydrophobicContact CD2-CD1 3.59Å; L157-I166 HydrophobicContact CG-CD1 3.66Å; L161-I166 HydrophobicContact CB-CD1 4.01Å; L161-I166 HydrophobicContact CB-CG1 4.08Å; E163-I166 PolarHBondContact O-N 2.75Å
167L97.9Very high94.8Very high32 Ų3254.1 Ų54.117%0.16831%0.31CS..EExtended strand (participates in β ladder)trans-108.6141.9-166.6-54.7176.5000111.8Y134 V135 T136 Y137 V204Y134-L167 HydrophobicContact CD1-CD1 4.21Å; V135-L167 PolarHBondContact O-N 3.31Å; T136-L167 CarbonylContact C-O 3.57Å; T136-L167 WeakPolarHBondContact CA-O 3.23Å; T136-L167 HydrophobicContact CG2-CB 4.45Å; Y137-L167 VanDerWaalsContact CD1-O 3.28Å; Y137-L167 WeakPolarHBondContact CD1-O 3.36Å; Y137-L167 PolarHBondContact N-O 3.2Å; L167-V204 HydrophobicContact CD1-CB 3.81Å; L167-V204 HydrophobicContact CD1-CG1 4.11Å; L167-V204 HydrophobicContact CD1-CG2 3.71Å
168P97.1Very high93.7Very high85 Ų8552 Ų5255%0.55230%0.299SS*.EExtended strand (participates in β ladder)trans-74.3131.6169.230-31.3000109.7Y137Y137-P168 HydrophobicContact CE1-CB 4.03Å; Y137-P168 HydrophobicContact CE2-CB 4.29Å
169G94.9Very high92.6Very high11 Ų1146.8 Ų46.811%0.11327%0.274CS..EExtended strand (participates in β ladder)trans-112.5167.9165.700000112.8Y137 G139 N174Y137-G169 PolarHBondContact O-N 3.17Å; G139-G169 WeakPolarHBondContact CA-O 3.5Å; G139-G169 PolarHBondContact N-O 2.81Å; G169-N174 WeakPolarHBondContact CA-OD1 3.47Å; G169-N174 PolarHBondContact N-OD1 3.4Å
170N93.8Very high91.5Very high78 Ų7850.8 Ų50.842%0.41730%0.296SS..  trans-89.4-172.9-172.663.851.7000111.2K172 D173 N174N170-K172 WeakPolarHBondContact OD1-CA 3.31Å; N170-K172 WeakPolarHBondContact OD1-CB 3.49Å; N170-K172 PolarHBondContact OD1-N 3.41Å; N170-D173 VanDerWaalsContact CG-OD2 3.28Å; N170-D173 PolarHBondContact ND2-OD2 3.48Å; N170-D173 PolarHBondContact OD1-N 3.33Å; N170-D173 PolarHBondContact OD1-OD2 3.03Å; N170-N174 PolarHBondContact O-N 3.39Å
171M92.2Very high90.9Very high48 Ų4849.9 Ų49.924%0.23628%0.278CS..Hα-helixtrans-72.3-24.4178.5-171.5165.317800114.7F138 N141 A144 L146 F175F138-M171 HydrophobicContact CE2-CB 4.12Å; F138-M171 HydrophobicContact CE2-CG 4.44Å; N141-M171 HydrophobicContact CB-CB 4.23Å; N141-M171 HydrophobicContact CB-CG 4.49Å; N141-M171 HydrophobicContact CB-SD 3.67Å; N141-M171 PolarHBondContact ND2-SD 2.9Å; N141-M171 VanDerWaalsContact ND2-SD 3.37Å; A144-M171 HydrophobicContact CB-CE 4.06Å; A144-M171 HydrophobicContact CB-SD 3.93Å; L146-M171 HydrophobicContact CD1-CE 4.12Å; L146-M171 HydrophobicContact CD1-SD 4.43Å; M171-F175 HydrophobicContact CE-CD1 4.36Å; M171-F175 HydrophobicContact CE-CG 4.48Å; M171-F175 HydrophobicContact CG-CB 3.86Å; M171-F175 HydrophobicContact CG-CG 4.37Å; M171-F175 WeakPolarHBondContact O-CB 3.31Å
172K90.6Very high90.5Very high178 Ų17849.7 Ų49.777%0.77428%0.278SS*.Hα-helixtrans-69.9-40.3175.1-175.3-166.5171.3-157.20110.8N170N170-K172 WeakPolarHBondContact OD1-CA 3.31Å; N170-K172 WeakPolarHBondContact OD1-CB 3.49Å; N170-K172 PolarHBondContact OD1-N 3.41Å
173D90.6Very high90.3Very high31 Ų3146.9 Ų46.917%0.16626%0.255CS..Hα-helixtrans-93.7-46.7-172.3-44.3-35.1000111.3N170 E189 N205N170-D173 VanDerWaalsContact CG-OD2 3.28Å; N170-D173 PolarHBondContact ND2-OD2 3.48Å; N170-D173 PolarHBondContact OD1-N 3.33Å; N170-D173 PolarHBondContact OD1-OD2 3.03Å; D173-E189 VanDerWaalsContact O-OE1 3.05Å; D173-N205 HydrophobicContact CB-CB 4.48Å; D173-N205 VanDerWaalsContact CB-ND2 3.25Å; D173-N205 WeakPolarHBondContact CB-ND2 3.49Å
174N95.9Very high90.3Very high0 Ų041.1 Ų41.10%023%0.228CC..Hα-helixtrans-105.620.6-172.9-72.1123.1000115.7T136 F138 G169 N170 P186 C187T136-N174 WeakPolarHBondContact CB-OD1 3.36Å; T136-N174 PolarHBondContact OG1-ND2 2.88Å; T136-N174 PolarHBondContact OG1-OD1 3.48Å; F138-N174 HydrophobicContact CB-CB 3.97Å; F138-N174 WeakPolarHBondContact CB-O 3.26Å; F138-N174 HydrophobicContact CD2-CB 4.02Å; F138-N174 WeakPolarHBondContact CD2-O 3.29Å; G169-N174 WeakPolarHBondContact CA-OD1 3.47Å; G169-N174 PolarHBondContact N-OD1 3.4Å; N170-N174 PolarHBondContact O-N 3.39Å; N174-P186 CarbonylContact O-C 3.59Å; N174-P186 VanDerWaalsContact O-CA 3.3Å; N174-P186 WeakPolarHBondContact O-CA 3.38Å; N174-C187 VanDerWaalsContact CA-SG 3.54Å; N174-C187 PolarHBondContact ND2-O 3.35Å; N174-C187 VanDerWaalsContact ND2-O 3.09Å; N174-C187 PolarHBondContact O-N 3.47Å
175F94.7Very high90.3Very high10 Ų1038.5 Ų38.54%0.04420%0.201CC..EExtended strand (participates in β ladder)trans-129.3105.4167.4-163.4-79.5000109.6F138 L146 M171 C184 F222 L230F138-F175 HydrophobicContact CD2-CB 4.31Å; F138-F175 HydrophobicContact CE1-CD2 4.37Å; F138-F175 HydrophobicContact CE2-CB 4.03Å; F138-F175 HydrophobicContact CE2-CD2 4.3Å; F138-F175 HydrophobicContact CZ-CD2 4.1Å; L146-F175 HydrophobicContact CD1-CD2 3.8Å; L146-F175 HydrophobicContact CD1-CE2 3.47Å; L146-F175 VanDerWaalsContact CD1-CE2 3.47Å; L146-F175 HydrophobicContact CD1-CZ 4.09Å; L146-F175 HydrophobicContact CD2-CE2 4.33Å; M171-F175 HydrophobicContact CE-CD1 4.36Å; M171-F175 HydrophobicContact CE-CG 4.48Å; M171-F175 HydrophobicContact CG-CB 3.86Å; M171-F175 HydrophobicContact CG-CG 4.37Å; M171-F175 WeakPolarHBondContact O-CB 3.31Å; F175-C184 HydrophobicContact CE1-CB 4.14Å; F175-F222 HydrophobicContact CE2-CD2 4.4Å; F175-F222 HydrophobicContact CZ-CD2 4.2Å; F175-L230 HydrophobicContact CE2-CD1 4.43Å; F175-L230 HydrophobicContact CZ-CD1 3.78Å; F175-L230 HydrophobicContact CZ-CD2 4.27Å
176W93.1Very high90.4Very high40 Ų4036.6 Ų36.615%0.15219%0.194CC..EExtended strand (participates in β ladder)trans-94.5136.5-172.1-169.394.3000111.9A44 M46 M178 C184 G185 C187 V218A44-W176 HydrophobicContact CB-CH2 4.16Å; A44-W176 HydrophobicContact CB-CZ2 3.89Å; M46-W176 HydrophobicContact CG-CH2 3.65Å; M46-W176 HydrophobicContact CG-CZ3 4.09Å; M46-W176 HydrophobicContact SD-CH2 4.15Å; M46-W176 HydrophobicContact SD-CZ3 4.43Å; W176-M178 HydrophobicContact CH2-CB 3.55Å; W176-M178 HydrophobicContact CH2-CG 4.31Å; W176-M178 HydrophobicContact CZ2-CB 4.42Å; W176-M178 HydrophobicContact CZ3-CB 3.81Å; W176-C184 VanDerWaalsContact O-CA 3.27Å; W176-C184 WeakPolarHBondContact O-CA 3.48Å; W176-C184 WeakPolarHBondContact O-CB 3.3Å; W176-G185 PolarHBondContact N-O 3.27Å; W176-G185 PolarHBondContact O-N 3.49Å; W176-G185 VanDerWaalsContact O-N 3.08Å; W176-C187 HydrophobicContact CB-CB 4.43Å; W176-V218 HydrophobicContact CB-CB 4.41Å; W176-V218 HydrophobicContact CB-CG1 3.81Å; W176-V218 HydrophobicContact CB-CG2 3.67Å; W176-V218 HydrophobicContact CD2-CG1 4.39Å; W176-V218 HydrophobicContact CD2-CG2 4Å; W176-V218 HydrophobicContact CE3-CG1 4.08Å; W176-V218 HydrophobicContact CE3-CG2 4.39Å; W176-V218 HydrophobicContact CG-CG1 4.32Å; W176-V218 HydrophobicContact CG-CG2 3.67Å
177E88.8Confident90.4Very high42 Ų4236.2 Ų36.220%0.19619%0.192CC..EExtended strand (participates in β ladder)trans-146.5133174.949.6178.867.800109.8K81 G179 C184 R224K81-E177 IonicContact NZ-OE2 3.53Å; K81-E177 PolarHBondContact NZ-OE2 3.17Å; E177-G179 VanDerWaalsContact C-N 3.33Å; E177-G179 PolarHBondContact O-N 2.78Å; E177-C184 HydrophobicContact CB-CB 3.76Å; E177-R224 IonicContact OE1-CZ 3.41Å; E177-R224 IonicContact OE1-NE 2.72Å; E177-R224 PolarHBondContact OE1-NE 3.41Å; E177-R224 IonicContact OE1-NH2 2.77Å; E177-R224 PolarHBondContact OE1-NH2 3.5Å
178M75.9Confident90.4Very high4 Ų434.7 Ų34.72%0.0218%0.184CC..SBendtrans-66-31.4-175174.5-174.330.800114.3L39 N43 M46 N47 K50 W176L39-M178 HydrophobicContact CD1-CG 4.28Å; L39-M178 HydrophobicContact CD1-SD 3.93Å; N43-M178 PolarHBondContact ND2-O 3.49Å; M46-M178 HydrophobicContact CE-CE 4.48Å; M46-M178 HydrophobicContact SD-CB 4.34Å; M46-M178 HydrophobicContact SD-CE 4Å; M46-M178 HydrophobicContact SD-CG 4.18Å; M46-M178 HydrophobicContact SD-SD 3.48Å; N47-M178 WeakPolarHBondContact ND2-CG 3.36Å; N47-M178 PolarHBondContact ND2-SD 3.39Å; K50-M178 HydrophobicContact CD-CE 3.74Å; K50-M178 HydrophobicContact CD-SD 4.17Å; K50-M178 HydrophobicContact CG-CE 4.24Å; W176-M178 HydrophobicContact CH2-CB 3.55Å; W176-M178 HydrophobicContact CH2-CG 4.31Å; W176-M178 HydrophobicContact CZ2-CB 4.42Å; W176-M178 HydrophobicContact CZ3-CB 3.81Å
179G75.5Confident90.4Very high12 Ų1231.2 Ų31.212%0.12416%0.161CC..SBendtrans-173.4-166.3-172.800000110.5E177 T181E177-G179 VanDerWaalsContact C-N 3.33Å; E177-G179 PolarHBondContact O-N 2.78Å; G179-T181 PolarHBondContact O-N 3.44Å
180D73.6Confident90.6Very high136 Ų13630.8 Ų30.873%0.72716%0.156SC*.SBendtrans-64.8-22.8-176.1-59.9-21.5000113.1R224D180-R224 VanDerWaalsContact O-CG 3.32Å; D180-R224 WeakPolarHBondContact O-CG 3.44Å
181T80.3Confident90.7Very high43 Ų4327.2 Ų27.226%0.26414%0.137SC..SBendtrans-140.8155.7174.561.50000110.9G179 R224 A226G179-T181 PolarHBondContact O-N 3.44Å; T181-R224 VanDerWaalsContact CA-O 3.32Å; T181-R224 WeakPolarHBondContact CA-O 3.06Å; T181-R224 WeakPolarHBondContact CB-O 3.38Å; T181-A226 HydrophobicContact CG2-CB 4.05Å
182G87.5Confident90.9Very high6 Ų625.8 Ų25.86%0.06213%0.129CC..EExtended strand (participates in β ladder)trans123-173.117400000115.5C184 N223 R224G182-C184 PolarHBondContact O-N 2.99Å; G182-N223 WeakPolarHBondContact CA-OD1 3.2Å; G182-N223 WeakPolarHBondContact O-CA 3.41Å; G182-N223 PolarHBondContact O-OD1 3.33Å; G182-R224 PolarHBondContact N-O 2.91Å; G182-R224 PolarHBondContact O-N 3.31Å
183P91.4Very high91.2Very high0 Ų017.3 Ų17.30%09%0.092CC..EExtended strand (participates in β ladder)trans-59.4134.7-178.6-23.334000112.2M46 F53 L54 I220 F222 L233M46-P183 HydrophobicContact CE-CB 4.17Å; M46-P183 HydrophobicContact CE-CG 4.17Å; F53-P183 HydrophobicContact CB-CB 4.07Å; F53-P183 HydrophobicContact CB-CG 3.75Å; L54-P183 HydrophobicContact CD2-CG 3.64Å; L54-P183 HydrophobicContact CG-CG 3.84Å; P183-I220 HydrophobicContact CB-CD1 4.47Å; P183-I220 HydrophobicContact CB-CG2 3.96Å; P183-F222 CarbonylContact C-O 3.55Å; P183-F222 WeakPolarHBondContact CA-O 3.26Å; P183-L233 HydrophobicContact CB-CD1 4.34Å
184C93.8Very high91.3Very high0 Ų016.8 Ų16.80%09%0.088CC..EExtended strand (participates in β ladder)trans-153.7169.8-177.356.50000111.8F175 W176 E177 G182 Q221 F222 L230F175-C184 HydrophobicContact CE1-CB 4.14Å; W176-C184 VanDerWaalsContact O-CA 3.27Å; W176-C184 WeakPolarHBondContact O-CA 3.48Å; W176-C184 WeakPolarHBondContact O-CB 3.3Å; E177-C184 HydrophobicContact CB-CB 3.76Å; G182-C184 PolarHBondContact O-N 2.99Å; C184-Q221 PolarHBondContact O-N 3.07Å; C184-F222 PolarHBondContact N-O 3.25Å; C184-F222 PolarHBondContact O-N 2.67Å; C184-F222 VanDerWaalsContact O-O 3.08Å; C184-L230 WeakPolarHBondContact SG-CD2 3.31Å
185G95.5Very high91.1Very high0 Ų021 Ų210%011%0.109CC..EExtended strand (participates in β ladder)trans175.3171.9176.900000113.8W176W176-G185 PolarHBondContact N-O 3.27Å; W176-G185 PolarHBondContact O-N 3.49Å; W176-G185 VanDerWaalsContact O-N 3.08Å
186P97Very high91Very high4 Ų420.7 Ų20.73%0.02611%0.11CC..EExtended strand (participates in β ladder)trans-62.4155.3169.629.7-33.5000109.9F138 N174 F219 Q221F138-P186 HydrophobicContact CB-CB 3.66Å; F138-P186 HydrophobicContact CD1-CB 3.94Å; F138-P186 HydrophobicContact CG-CB 3.91Å; N174-P186 CarbonylContact O-C 3.59Å; N174-P186 VanDerWaalsContact O-CA 3.3Å; N174-P186 WeakPolarHBondContact O-CA 3.38Å; P186-F219 HydrophobicContact CG-CB 4.33Å; P186-F219 HydrophobicContact CG-CD2 4.42Å; P186-F219 WeakPolarHBondContact O-CA 3.45Å; P186-F219 VanDerWaalsContact O-CB 3.29Å; P186-F219 WeakPolarHBondContact O-CB 3.14Å; P186-F219 WeakPolarHBondContact O-CD2 3.39Å; P186-F219 PolarHBondContact O-N 2.95Å; P186-Q221 VanDerWaalsContact CG-NE2 3.34Å
187C97.5Very high90.9Very high0 Ų026.1 Ų26.10%014%0.142CC..EExtended strand (participates in β ladder)trans-139.1169.6177.371.40000112.6N174 W176 N216 L217 V218N174-C187 VanDerWaalsContact CA-SG 3.54Å; N174-C187 PolarHBondContact ND2-O 3.35Å; N174-C187 VanDerWaalsContact ND2-O 3.09Å; N174-C187 PolarHBondContact O-N 3.47Å; W176-C187 HydrophobicContact CB-CB 4.43Å; C187-N216 WeakPolarHBondContact CB-OD1 3.38Å; C187-N216 PolarHBondContact SG-OD1 3.12Å; C187-L217 CarbonylContact C-O 3.4Å; C187-L217 WeakPolarHBondContact CA-O 3.33Å; C187-L217 WeakPolarHBondContact CB-O 3.2Å; C187-V218 HydrophobicContact CB-CB 4.19Å; C187-V218 HydrophobicContact CB-CG1 4.42Å; C187-V218 HydrophobicContact CB-CG2 3.9Å
188S98.1Very high91.1Very high0 Ų028 Ų280%015%0.147CC..EExtended strand (participates in β ladder)trans-125.6122.6173.8-1780000108.7T136 W156 L217T136-S188 VanDerWaalsContact O-CA 3.31Å; T136-S188 WeakPolarHBondContact O-CA 3.36Å; T136-S188 WeakPolarHBondContact O-CB 3.32Å; T136-S188 PolarHBondContact O-OG 3.02Å; W156-S188 PolarHBondContact NE1-OG 3.34Å; S188-L217 PolarHBondContact N-O 2.8Å; S188-L217 PolarHBondContact O-N 2.91Å
189E97.8Very high92Very high13 Ų1332.8 Ų32.86%0.06117%0.172CC..EExtended strand (participates in β ladder)trans-103135.6-179.3-59.4166.1144.200110V135 T136 D173 H191 N205 E213 W215 N216V135-E189 CarbonylContact C-O 3.57Å; V135-E189 VanDerWaalsContact CA-O 3.31Å; V135-E189 WeakPolarHBondContact CA-O 3.42Å; T136-E189 PolarHBondContact N-O 3.19Å; T136-E189 WeakPolarHBondContact OG1-CB 3.35Å; T136-E189 PolarHBondContact OG1-N 3.41Å; T136-E189 PolarHBondContact OG1-O 3.41Å; D173-E189 VanDerWaalsContact O-OE1 3.05Å; E189-H191 IonicContact OE2-CE1 3.96Å; E189-N205 PolarHBondContact OE2-ND2 2.76Å; E189-N205 PolarHBondContact OE2-OD1 2.7Å; E189-N205 VanDerWaalsContact OE2-OD1 3.07Å; E189-E213 HydrophobicContact CB-CG 4.22Å; E189-W215 CarbonylContact C-O 3.55Å; E189-W215 WeakPolarHBondContact CA-O 3.36Å; E189-N216 HydrophobicContact CG-CB 4.48Å
190I98.2Very high92.9Very high2 Ų232.2 Ų32.21%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-103.1122.2177.9-50.4-179.4000108.5A118 L122 L133 V135 W156 I214 W215 L217A118-I190 HydrophobicContact CB-CD1 3.88Å; L122-I190 HydrophobicContact CD1-CD1 4.02Å; L122-I190 HydrophobicContact CD1-CG2 3.83Å; L133-I190 HydrophobicContact CD2-CG2 4.06Å; V135-I190 HydrophobicContact CG1-CG1 4.16Å; V135-I190 HydrophobicContact CG1-CG2 4.32Å; W156-I190 HydrophobicContact CH2-CD1 4.02Å; W156-I190 HydrophobicContact CZ2-CD1 4.35Å; W156-I190 HydrophobicContact CZ2-CG1 4.45Å; I190-I214 HydrophobicContact CG2-CD1 4.46Å; I190-I214 HydrophobicContact CG2-CG1 4.35Å; I190-I214 WeakPolarHBondContact O-CG1 3.39Å; I190-I214 PolarHBondContact O-N 3.3Å; I190-W215 HydrophobicContact CB-CB 4.22Å; I190-W215 HydrophobicContact CD1-CB 4.33Å; I190-W215 HydrophobicContact CD1-CE3 4.14Å; I190-W215 HydrophobicContact CG1-CB 4.44Å; I190-W215 PolarHBondContact N-O 2.96Å; I190-W215 PolarHBondContact O-N 3.08Å; I190-L217 HydrophobicContact CD1-CD1 4.33Å
191H97.6Very high93.9Very high3 Ų327.3 Ų27.31%0.01414%0.143CC..EExtended strand (participates in β ladder)trans-111.7145.9-179.6-69.475.4000111L133 Y134 E189 V204 N205 V211 L212 E213L133-H191 CarbonylContact C-O 3.56Å; L133-H191 VanDerWaalsContact CA-O 3.3Å; L133-H191 WeakPolarHBondContact CA-O 3.46Å; Y134-H191 PolarHBondContact N-O 3.37Å; Y134-H191 PolarHBondContact O-N 3.09Å; E189-H191 IonicContact OE2-CE1 3.96Å; H191-V204 HydrophobicContact CB-CG2 4.45Å; H191-N205 PolarHBondContact CE1-OD1 3.27Å; H191-N205 PolarHBondContact NE2-OD1 3.19Å; H191-V211 HydrophobicContact CB-CG1 4.23Å; H191-L212 CarbonylContact C-O 3.56Å; H191-L212 VanDerWaalsContact CA-O 3.24Å; H191-L212 WeakPolarHBondContact CA-O 3.39Å; H191-E213 PolarHBondContact CD2-N 3.31Å
192Y96.4Very high94.6Very high17 Ų1731.3 Ų31.37%0.06716%0.158CC..EExtended strand (participates in β ladder)trans-118.6122.2176.5177-103.8000111I128 R132 L133 R194 V211 L212 V250I128-Y192 HydrophobicContact CG2-CD2 3.74Å; I128-Y192 HydrophobicContact CG2-CE2 3.67Å; R132-Y192 HydrophobicContact CB-CD2 3.82Å; R132-Y192 HydrophobicContact CB-CE2 3.47Å; R132-Y192 VanDerWaalsContact CB-CE2 3.47Å; R132-Y192 WeakPolarHBondContact CD-OH 3.19Å; R132-Y192 HydrophobicContact CG-CE2 4.22Å; R132-Y192 PolarHBondContact NH1-OH 3.17Å; R132-Y192 VanDerWaalsContact NH1-OH 3.15Å; L133-Y192 HydrophobicContact CD2-CD2 4.16Å; Y192-R194 HydrophobicContact CD1-CG 3.98Å; Y192-R194 HydrophobicContact CE1-CB 4.36Å; Y192-R194 HydrophobicContact CE1-CG 3.96Å; Y192-R194 PolarHBondContact O-N 2.98Å; Y192-V211 WeakPolarHBondContact O-CA 3.09Å; Y192-L212 PolarHBondContact N-O 3.08Å; Y192-L212 PolarHBondContact O-N 2.8Å; Y192-L212 VanDerWaalsContact O-N 3.08Å; Y192-V250 HydrophobicContact CD1-CB 4.25Å; Y192-V250 HydrophobicContact CD1-CG1 3.68Å; Y192-V250 HydrophobicContact CD1-CG2 3.53Å; Y192-V250 HydrophobicContact CD2-CG1 4.35Å; Y192-V250 HydrophobicContact CE1-CB 4.32Å; Y192-V250 HydrophobicContact CE1-CG1 3.56Å; Y192-V250 HydrophobicContact CE1-CG2 3.99Å; Y192-V250 HydrophobicContact CE2-CG1 4.26Å; Y192-V250 HydrophobicContact CG-CG1 4.07Å; Y192-V250 HydrophobicContact CG-CG2 4.22Å
193D96Very high95Very high1 Ų132.3 Ų32.31%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-83110.2170.4-179.419000110.3R132 Y134 I195 G196 R198 A200R132-D193 PolarHBondContact O-N 3.23Å; Y134-D193 HydrophobicContact CE2-CB 4.16Å; D193-I195 VanDerWaalsContact C-N 3.28Å; D193-I195 PolarHBondContact O-N 3.15Å; D193-I195 PolarHBondContact OD1-N 3.36Å; D193-I195 VanDerWaalsContact OD1-N 3.14Å; D193-G196 WeakPolarHBondContact OD2-CA 3.16Å; D193-G196 PolarHBondContact OD2-N 3.11Å; D193-G196 VanDerWaalsContact OD2-N 3.1Å; D193-R198 IonicContact OD1-CZ 3.71Å; D193-R198 IonicContact OD1-NE 2.72Å; D193-R198 PolarHBondContact OD1-NE 2.87Å; D193-R198 IonicContact OD1-NH2 3.49Å; D193-R198 PolarHBondContact OD1-NH2 3.35Å; D193-R198 VanDerWaalsContact OD2-CG 3.27Å; D193-R198 WeakPolarHBondContact OD2-CG 3.37Å; D193-R198 IonicContact OD2-NE 3.49Å; D193-R198 PolarHBondContact OD2-NE 3.49Å; D193-R198 VanDerWaalsContact OD2-NE 3.09Å; D193-A200 HydrophobicContact CB-CB 4.26Å
194R92.5Very high95.1Very high19 Ų1932.9 Ų32.97%0.07217%0.165CC..SBendtrans-64.4-33.8-180-66.8-175.2171.9-83.16.6112.6R132 Y192 N210 L212 S249 K254R132-R194 PolarHBondContact NH1-O 3.28Å; Y192-R194 HydrophobicContact CD1-CG 3.98Å; Y192-R194 HydrophobicContact CE1-CB 4.36Å; Y192-R194 HydrophobicContact CE1-CG 3.96Å; Y192-R194 PolarHBondContact O-N 2.98Å; R194-N210 PolarHBondContact N-O 3.45Å; R194-L212 VanDerWaalsContact CZ-CD1 3.47Å; R194-S249 PolarHBondContact NH1-O 2.98Å; R194-S249 PolarHBondContact NH2-OG 2.96Å; R194-K254 PolarHBondContact NH1-O 3.36Å; R194-K254 PolarHBondContact NH2-O 3.23Å
195I93Very high95Very high88 Ų8834.5 Ų34.545%0.45117%0.174SC..SBendtrans-75.6-51-178-55.8-165.5000109.2R132 D193 N210R132-I195 PolarHBondContact NH2-O 2.91Å; R132-I195 VanDerWaalsContact NH2-O 3.16Å; D193-I195 VanDerWaalsContact C-N 3.28Å; D193-I195 PolarHBondContact O-N 3.15Å; D193-I195 PolarHBondContact OD1-N 3.36Å; D193-I195 VanDerWaalsContact OD1-N 3.14Å; I195-N210 HydrophobicContact CD1-CB 4.37Å; I195-N210 HydrophobicContact CG1-CB 4.28Å
196G91.3Very high94.8Very high5 Ų540.5 Ų40.55%0.05220%0.202CC..  trans73.8178.9-176.800000112.7D193 R198D193-G196 WeakPolarHBondContact OD2-CA 3.16Å; D193-G196 PolarHBondContact OD2-N 3.11Å; D193-G196 VanDerWaalsContact OD2-N 3.1Å; G196-R198 PolarHBondContact O-N 3.31Å
197D90.3Very high94.2Very high154 Ų15446 Ų4682%0.82423%0.231SC*.SBendtrans53.727176.8-57.7-43.8000115.1
198R93.8Very high93.7Very high82 Ų8248 Ų4831%0.30924%0.242SC..SBendtrans-144.1169.6178.767.3-179.6-178.9161.4-1.2111.4Y134 D193 G196 A200Y134-R198 PolarHBondContact OH-O 2.8Å; D193-R198 IonicContact OD1-CZ 3.71Å; D193-R198 IonicContact OD1-NE 2.72Å; D193-R198 PolarHBondContact OD1-NE 2.87Å; D193-R198 IonicContact OD1-NH2 3.49Å; D193-R198 PolarHBondContact OD1-NH2 3.35Å; D193-R198 VanDerWaalsContact OD2-CG 3.27Å; D193-R198 WeakPolarHBondContact OD2-CG 3.37Å; D193-R198 IonicContact OD2-NE 3.49Å; D193-R198 PolarHBondContact OD2-NE 3.49Å; D193-R198 VanDerWaalsContact OD2-NE 3.09Å; G196-R198 PolarHBondContact O-N 3.31Å; R198-A200 HydrophobicContact CG-CB 4.47Å
199D94.3Very high93Very high103 Ų10350.5 Ų50.555%0.55126%0.258SS*.  trans-91107.1165.2-176.56.9000110.3S201D199-S201 WeakPolarHBondContact OD1-CB 2.66Å; D199-S201 PolarHBondContact OD1-N 3.38Å; D199-S201 PolarHBondContact OD1-OG 3.4Å; D199-S201 PolarHBondContact OD2-OG 3.33Å
200A95.7Very high92.6Very high0 Ų051.8 Ų51.80%027%0.265CS..  trans-104.914177.700000113.2Y134 D193 R198 H202 L203 V211Y134-A200 HydrophobicContact CE2-CB 3.92Å; Y134-A200 PolarHBondContact OH-N 3.46Å; D193-A200 HydrophobicContact CB-CB 4.26Å; R198-A200 HydrophobicContact CG-CB 4.47Å; A200-H202 PolarHBondContact O-N 2.81Å; A200-L203 HydrophobicContact CB-CD1 4.47Å; A200-L203 WeakPolarHBondContact O-CB 3.49Å; A200-L203 PolarHBondContact O-N 3.3Å; A200-V211 HydrophobicContact CB-CG2 3.88Å
201S94.8Very high92.3Very high33 Ų3352 Ų5223%0.23127%0.267CS..G310 helixtrans-54.4-38.6-177.454.20000113.5D199 L203 V204D199-S201 WeakPolarHBondContact OD1-CB 2.66Å; D199-S201 PolarHBondContact OD1-N 3.38Å; D199-S201 PolarHBondContact OD1-OG 3.4Å; D199-S201 PolarHBondContact OD2-OG 3.33Å; S201-L203 PolarHBondContact O-N 3.05Å; S201-V204 PolarHBondContact O-N 3.31Å
202H94.4Very high92.1Very high128 Ų12852.2 Ų52.259%0.59327%0.268SS*.G310 helixtrans-69.6-8.9178.267.5-79000114.9A200 Q206A200-H202 PolarHBondContact O-N 2.81Å; H202-Q206 WeakPolarHBondContact O-CG 3.44Å
203L95.3Very high92Very high27 Ų2754 Ų5414%0.14128%0.277CS..G310 helixtrans-103.2-9.4178.6-60.7176.2000112.7A200 S201 N205 Q206 D208 V211A200-L203 HydrophobicContact CB-CD1 4.47Å; A200-L203 WeakPolarHBondContact O-CB 3.49Å; A200-L203 PolarHBondContact O-N 3.3Å; S201-L203 PolarHBondContact O-N 3.05Å; L203-N205 PolarHBondContact O-N 2.62Å; L203-Q206 WeakPolarHBondContact O-CB 3.41Å; L203-Q206 PolarHBondContact O-N 2.85Å; L203-D208 HydrophobicContact CB-CB 4.38Å; L203-D208 HydrophobicContact CD2-CB 4.48Å; L203-V211 HydrophobicContact CB-CB 4.13Å; L203-V211 HydrophobicContact CB-CG2 3.73Å; L203-V211 HydrophobicContact CD1-CG2 3.92Å; L203-V211 HydrophobicContact CG-CG2 4.49Å
204V94.9Very high92Very high11 Ų1154.1 Ų54.17%0.06728%0.278CS..THydrogen-bonded Turntrans-63.9133.6175.2174.70000109.3Y134 T136 L167 H191 S201 Q206 V211Y134-V204 HydrophobicContact CD1-CG2 4.24Å; Y134-V204 HydrophobicContact CG-CG2 3.97Å; T136-V204 HydrophobicContact CG2-CG1 3.61Å; L167-V204 HydrophobicContact CD1-CB 3.81Å; L167-V204 HydrophobicContact CD1-CG1 4.11Å; L167-V204 HydrophobicContact CD1-CG2 3.71Å; H191-V204 HydrophobicContact CB-CG2 4.45Å; S201-V204 PolarHBondContact O-N 3.31Å; V204-Q206 PolarHBondContact O-N 3.36Å; V204-V211 HydrophobicContact CG2-CG1 4.08Å
205N91.8Very high92.2Very high34 Ų3453.3 Ų53.318%0.18228%0.275CS..THydrogen-bonded Turntrans56.428.2-173.8-65.7-15.3000114.9D173 E189 H191 L203D173-N205 HydrophobicContact CB-CB 4.48Å; D173-N205 VanDerWaalsContact CB-ND2 3.25Å; D173-N205 WeakPolarHBondContact CB-ND2 3.49Å; E189-N205 PolarHBondContact OE2-ND2 2.76Å; E189-N205 PolarHBondContact OE2-OD1 2.7Å; E189-N205 VanDerWaalsContact OE2-OD1 3.07Å; H191-N205 PolarHBondContact CE1-OD1 3.27Å; H191-N205 PolarHBondContact NE2-OD1 3.19Å; L203-N205 PolarHBondContact O-N 2.62Å
206Q90.8Very high92.4Very high126 Ų12649.9 Ų49.959%0.58926%0.257SS*.THydrogen-bonded Turntrans-110.514.7175.3-57.7-53.7-60.200113.9H202 L203 V204 D208H202-Q206 WeakPolarHBondContact O-CG 3.44Å; L203-Q206 WeakPolarHBondContact O-CB 3.41Å; L203-Q206 PolarHBondContact O-N 2.85Å; V204-Q206 PolarHBondContact O-N 3.36Å; Q206-D208 PolarHBondContact O-N 2.8Å; Q206-D208 VanDerWaalsContact O-N 3.16Å
207D82.9Confident92.7Very high120 Ų12049.7 Ų49.764%0.64226%0.255SS*.THydrogen-bonded Turntrans54.830-178.4-60.3-47.4000114Y93Y93-D207 PolarHBondContact OH-O 3.31Å
208D87.2Confident93.1Very high42 Ų4242.5 Ų42.523%0.22522%0.217CC..  trans-80.8126.9177.9-170.3-68.6000110.9L203 Q206 N210 V211L203-D208 HydrophobicContact CB-CB 4.38Å; L203-D208 HydrophobicContact CD2-CB 4.48Å; Q206-D208 PolarHBondContact O-N 2.8Å; Q206-D208 VanDerWaalsContact O-N 3.16Å; D208-N210 PolarHBondContact O-N 3.23Å; D208-N210 WeakPolarHBondContact OD1-CA 3.31Å; D208-N210 WeakPolarHBondContact OD1-CB 3.48Å; D208-N210 PolarHBondContact OD1-N 3Å; D208-N210 PolarHBondContact OD1-ND2 3.4Å; D208-V211 CarbonylContact O-C 3.31Å; D208-V211 PolarHBondContact O-N 2.98Å; D208-V211 VanDerWaalsContact O-O 3.08Å
209P83.5Confident93.2Very high52 Ų5238.6 Ų38.634%0.33820%0.202SC..THydrogen-bonded Turntrans-64.9-15.5-177.226.5-35.5000114.3Y93Y93-P209 HydrophobicContact CE1-CB 4.34Å
210N89.7Confident93.3Very high40 Ų4033.7 Ų33.721%0.21418%0.176CC..THydrogen-bonded Turntrans-87.5-15.8176-53.2-71.7000113.1R194 I195 D208 M255R194-N210 PolarHBondContact N-O 3.45Å; I195-N210 HydrophobicContact CD1-CB 4.37Å; I195-N210 HydrophobicContact CG1-CB 4.28Å; D208-N210 PolarHBondContact O-N 3.23Å; D208-N210 WeakPolarHBondContact OD1-CA 3.31Å; D208-N210 WeakPolarHBondContact OD1-CB 3.48Å; D208-N210 PolarHBondContact OD1-N 3Å; D208-N210 PolarHBondContact OD1-ND2 3.4Å; N210-M255 VanDerWaalsContact OD1-CE 3.24Å; N210-M255 WeakPolarHBondContact OD1-CE 3.34Å
211V93.3Very high93.3Very high6 Ų635.3 Ų35.34%0.03618%0.183CC..EExtended strand (participates in β ladder)trans-126.288.7178.7-175.90000108.4H191 Y192 A200 L203 V204 D208H191-V211 HydrophobicContact CB-CG1 4.23Å; Y192-V211 WeakPolarHBondContact O-CA 3.09Å; A200-V211 HydrophobicContact CB-CG2 3.88Å; L203-V211 HydrophobicContact CB-CB 4.13Å; L203-V211 HydrophobicContact CB-CG2 3.73Å; L203-V211 HydrophobicContact CD1-CG2 3.92Å; L203-V211 HydrophobicContact CG-CG2 4.49Å; V204-V211 HydrophobicContact CG2-CG1 4.08Å; D208-V211 CarbonylContact O-C 3.31Å; D208-V211 PolarHBondContact O-N 2.98Å; D208-V211 VanDerWaalsContact O-O 3.08Å
212L92.2Very high93.3Very high9 Ų935.7 Ų35.75%0.04718%0.181CC..EExtended strand (participates in β ladder)trans-96.1130.6-171.4-66.6179.3000111.6H191 Y192 R194 I214H191-L212 CarbonylContact C-O 3.56Å; H191-L212 VanDerWaalsContact CA-O 3.24Å; H191-L212 WeakPolarHBondContact CA-O 3.39Å; Y192-L212 PolarHBondContact N-O 3.08Å; Y192-L212 PolarHBondContact O-N 2.8Å; Y192-L212 VanDerWaalsContact O-N 3.08Å; R194-L212 VanDerWaalsContact CZ-CD1 3.47Å; L212-I214 HydrophobicContact CB-CG2 4.41Å; L212-I214 PolarHBondContact O-N 2.91Å
213E94.6Very high93.1Very high54 Ų5430.2 Ų30.225%0.25216%0.156SC..EExtended strand (participates in β ladder)trans-64.4117.1160.4-175.8-141.8157.600108.8E189 H191 R246E189-E213 HydrophobicContact CB-CG 4.22Å; H191-E213 PolarHBondContact CD2-N 3.31Å; E213-R246 WeakPolarHBondContact O-CD 3.38Å; E213-R246 PolarHBondContact O-NH1 3.13Å; E213-R246 IonicContact OE2-NH1 2.88Å; E213-R246 PolarHBondContact OE2-NH1 3.21Å
214I94.9Very high92.8Very high3 Ų330.1 Ų30.12%0.01515%0.154CC..EExtended strand (participates in β ladder)trans-106.4-24-179.455.9167.8000112.5L122 L133 I190 L212 M242 V250L122-I214 HydrophobicContact CD1-CD1 4.06Å; L122-I214 HydrophobicContact CD2-CD1 3.97Å; L133-I214 HydrophobicContact CD2-CD1 4.35Å; I190-I214 HydrophobicContact CG2-CD1 4.46Å; I190-I214 HydrophobicContact CG2-CG1 4.35Å; I190-I214 WeakPolarHBondContact O-CG1 3.39Å; I190-I214 PolarHBondContact O-N 3.3Å; L212-I214 HydrophobicContact CB-CG2 4.41Å; L212-I214 PolarHBondContact O-N 2.91Å; I214-M242 WeakPolarHBondContact O-CA 3.26Å; I214-M242 VanDerWaalsContact O-CG 3.25Å; I214-M242 WeakPolarHBondContact O-CG 3.37Å; I214-V250 HydrophobicContact CG2-CG2 4.13Å
215W97.2Very high92.4Very high2 Ų231.6 Ų31.61%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-152.8134.2-176.8-158.1-6000111.8F14 F18 A118 L121 L122 E189 I190 L217 T240 G241 M242F14-W215 HydrophobicContact CE2-CH2 4.3Å; F14-W215 HydrophobicContact CE2-CZ2 4.02Å; F18-W215 HydrophobicContact CE2-CH2 4.04Å; F18-W215 HydrophobicContact CE2-CZ2 4.13Å; F18-W215 AromaticContact CZ-CH2 3.86Å; F18-W215 HydrophobicContact CZ-CH2 3.86Å; F18-W215 AromaticContact CZ-CZ2 3.92Å; F18-W215 HydrophobicContact CZ-CZ2 3.92Å; A118-W215 HydrophobicContact CB-CD2 4.42Å; A118-W215 HydrophobicContact CB-CE3 3.77Å; A118-W215 HydrophobicContact CB-CH2 3.92Å; A118-W215 HydrophobicContact CB-CZ3 3.53Å; L121-W215 HydrophobicContact CB-CH2 4.43Å; L121-W215 HydrophobicContact CB-CZ3 4.32Å; L121-W215 HydrophobicContact CD2-CH2 3.51Å; L121-W215 HydrophobicContact CD2-CZ3 3.77Å; L122-W215 HydrophobicContact CD1-CE3 4.1Å; L122-W215 HydrophobicContact CD2-CE3 4.37Å; L122-W215 HydrophobicContact CG-CE3 4.15Å; L122-W215 HydrophobicContact CG-CZ3 4.19Å; E189-W215 CarbonylContact C-O 3.55Å; E189-W215 WeakPolarHBondContact CA-O 3.36Å; I190-W215 HydrophobicContact CB-CB 4.22Å; I190-W215 HydrophobicContact CD1-CB 4.33Å; I190-W215 HydrophobicContact CD1-CE3 4.14Å; I190-W215 HydrophobicContact CG1-CB 4.44Å; I190-W215 PolarHBondContact N-O 2.96Å; I190-W215 PolarHBondContact O-N 3.08Å; W215-L217 HydrophobicContact CD2-CD2 4.01Å; W215-L217 HydrophobicContact CG-CD2 4.13Å; W215-L217 HydrophobicContact CZ2-CD2 4.42Å; W215-T240 VanDerWaalsContact NE1-CB 3.29Å; W215-T240 PolarHBondContact NE1-OG1 2.9Å; W215-G241 VanDerWaalsContact CD1-C 3.47Å; W215-M242 HydrophobicContact CB-CB 4.28Å; W215-M242 HydrophobicContact CB-CE 4.23Å; W215-M242 HydrophobicContact CD2-CB 4.15Å; W215-M242 HydrophobicContact CD2-CE 3.18Å; W215-M242 HydrophobicContact CE3-CE 2.99Å; W215-M242 HydrophobicContact CG-CB 3.78Å; W215-M242 HydrophobicContact CG-CE 3.78Å; W215-M242 HydrophobicContact CG-CG 4.4Å; W215-M242 HydrophobicContact CH2-CE 3.73Å; W215-M242 HydrophobicContact CZ2-CE 3.93Å; W215-M242 HydrophobicContact CZ3-CE 3.25Å
216N97.2Very high91.7Very high17 Ų1734.4 Ų34.49%0.09119%0.188CC..EExtended strand (participates in β ladder)trans-110.7129170.6-161.9-25000110.9C187 E189 T240 G241C187-N216 WeakPolarHBondContact CB-OD1 3.38Å; C187-N216 PolarHBondContact SG-OD1 3.12Å; E189-N216 HydrophobicContact CG-CB 4.48Å; N216-T240 VanDerWaalsContact O-CA 3.32Å; N216-T240 WeakPolarHBondContact O-CA 3.16Å; N216-G241 PolarHBondContact N-O 3.46Å; N216-G241 PolarHBondContact O-N 3.32Å
217L98.2Very high91.3Very high1 Ų134.6 Ų34.61%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-108.798.9176.3-51.1-175.6000109.5A118 W156 C187 S188 I190 W215 F219 T240A118-L217 HydrophobicContact CB-CD1 3.84Å; A118-L217 HydrophobicContact CB-CD2 4.09Å; W156-L217 HydrophobicContact CH2-CD1 4.37Å; W156-L217 HydrophobicContact CZ2-CD1 3.96Å; C187-L217 CarbonylContact C-O 3.4Å; C187-L217 WeakPolarHBondContact CA-O 3.33Å; C187-L217 WeakPolarHBondContact CB-O 3.2Å; S188-L217 PolarHBondContact N-O 2.8Å; S188-L217 PolarHBondContact O-N 2.91Å; I190-L217 HydrophobicContact CD1-CD1 4.33Å; W215-L217 HydrophobicContact CD2-CD2 4.01Å; W215-L217 HydrophobicContact CG-CD2 4.13Å; W215-L217 HydrophobicContact CZ2-CD2 4.42Å; L217-F219 HydrophobicContact CB-CE1 4.2Å; L217-F219 HydrophobicContact CB-CZ 4.46Å; L217-T240 HydrophobicContact CD2-CG2 3.57Å
218V97.9Very high91.3Very high3 Ų330.7 Ų30.72%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-90.5126.1-177.8-173.30000110.9W176 C187 I220 D239W176-V218 HydrophobicContact CB-CB 4.41Å; W176-V218 HydrophobicContact CB-CG1 3.81Å; W176-V218 HydrophobicContact CB-CG2 3.67Å; W176-V218 HydrophobicContact CD2-CG1 4.39Å; W176-V218 HydrophobicContact CD2-CG2 4Å; W176-V218 HydrophobicContact CE3-CG1 4.08Å; W176-V218 HydrophobicContact CE3-CG2 4.39Å; W176-V218 HydrophobicContact CG-CG1 4.32Å; W176-V218 HydrophobicContact CG-CG2 3.67Å; C187-V218 HydrophobicContact CB-CB 4.19Å; C187-V218 HydrophobicContact CB-CG1 4.42Å; C187-V218 HydrophobicContact CB-CG2 3.9Å; V218-I220 HydrophobicContact CG1-CG1 3.88Å; V218-I220 PolarHBondContact O-N 3.12Å; V218-D239 WeakPolarHBondContact CA-O 3.47Å; V218-D239 HydrophobicContact CB-CB 4.23Å; V218-D239 WeakPolarHBondContact CB-O 3.33Å; V218-D239 PolarHBondContact N-O 3.23Å; V218-D239 PolarHBondContact O-N 3.49Å
219F97.4Very high91.3Very high0 Ų030.8 Ų30.80%019%0.185CC..EExtended strand (participates in β ladder)trans-95.475179.1-49.6-45000109.7F110 K111 C152 P186 L217 Q221 I238F110-F219 HydrophobicContact CE2-CB 3.85Å; F110-F219 HydrophobicContact CZ-CB 3.63Å; F110-F219 HydrophobicContact CZ-CG 4.48Å; K111-F219 HydrophobicContact CB-CE1 4.21Å; K111-F219 HydrophobicContact CB-CZ 4.47Å; K111-F219 HydrophobicContact CD-CD2 4.18Å; K111-F219 HydrophobicContact CD-CE2 4.26Å; K111-F219 HydrophobicContact CD-CG 4.34Å; K111-F219 HydrophobicContact CD-CZ 4.49Å; K111-F219 HydrophobicContact CG-CD1 3.61Å; K111-F219 HydrophobicContact CG-CD2 4.05Å; K111-F219 HydrophobicContact CG-CE1 3.68Å; K111-F219 HydrophobicContact CG-CE2 4.11Å; K111-F219 HydrophobicContact CG-CG 3.8Å; K111-F219 HydrophobicContact CG-CZ 3.93Å; C152-F219 HydrophobicContact CB-CE2 4.05Å; P186-F219 HydrophobicContact CG-CB 4.33Å; P186-F219 HydrophobicContact CG-CD2 4.42Å; P186-F219 WeakPolarHBondContact O-CA 3.45Å; P186-F219 VanDerWaalsContact O-CB 3.29Å; P186-F219 WeakPolarHBondContact O-CB 3.14Å; P186-F219 WeakPolarHBondContact O-CD2 3.39Å; P186-F219 PolarHBondContact O-N 2.95Å; L217-F219 HydrophobicContact CB-CE1 4.2Å; L217-F219 HydrophobicContact CB-CZ 4.46Å; F219-Q221 WeakPolarHBondContact O-CG 3.48Å; F219-Q221 PolarHBondContact O-N 3.15Å; F219-Q221 VanDerWaalsContact O-N 3.1Å; F219-I238 HydrophobicContact CD1-CD1 3.65Å; F219-I238 HydrophobicContact CE1-CD1 4.24Å
220I96.2Very high91.7Very high0 Ų030.4 Ų30.40%018%0.18CC..EExtended strand (participates in β ladder)trans-60.2115-177.1-66.1-177000109.9M46 F53 P183 V218 L233 S237 D239M46-I220 HydrophobicContact CE-CD1 4.35Å; F53-I220 HydrophobicContact CD1-CD1 3.88Å; F53-I220 HydrophobicContact CD1-CG2 4.05Å; F53-I220 HydrophobicContact CD2-CD1 4.43Å; F53-I220 HydrophobicContact CE1-CD1 3.63Å; F53-I220 HydrophobicContact CE2-CD1 4.21Å; F53-I220 HydrophobicContact CG-CD1 4.26Å; F53-I220 HydrophobicContact CZ-CD1 3.8Å; P183-I220 HydrophobicContact CB-CD1 4.47Å; P183-I220 HydrophobicContact CB-CG2 3.96Å; V218-I220 HydrophobicContact CG1-CG1 3.88Å; V218-I220 PolarHBondContact O-N 3.12Å; I220-L233 HydrophobicContact CG2-CD1 3.35Å; I220-S237 PolarHBondContact N-O 2.94Å; I220-S237 PolarHBondContact O-N 3.25Å; I220-D239 HydrophobicContact CD1-CB 3.42Å; I220-D239 VanDerWaalsContact CD1-CB 3.42Å; I220-D239 HydrophobicContact CG1-CB 4.02Å
221Q94.8Very high91.7Very high33 Ų3332 Ų3215%0.15419%0.185CC..EExtended strand (participates in β ladder)trans-147.9-4.4-178.467.1-176.6-5.100113.8C184 P186 F219 P232 L233 K236C184-Q221 PolarHBondContact O-N 3.07Å; P186-Q221 VanDerWaalsContact CG-NE2 3.34Å; F219-Q221 WeakPolarHBondContact O-CG 3.48Å; F219-Q221 PolarHBondContact O-N 3.15Å; F219-Q221 VanDerWaalsContact O-N 3.1Å; Q221-P232 WeakPolarHBondContact O-CA 3.45Å; Q221-L233 PolarHBondContact O-N 3.5Å; Q221-K236 HydrophobicContact CB-CG 4.16Å
222F94.2Very high91.7Very high41 Ų4136.6 Ų36.618%0.1822%0.215CC..EExtended strand (participates in β ladder)trans-130158.9176.4-56.7-68.6000111.8L146 F175 P183 C184 L230 K231 P232 L233L146-F222 HydrophobicContact CD2-CE2 4.25Å; L146-F222 HydrophobicContact CD2-CZ 4.46Å; F175-F222 HydrophobicContact CE2-CD2 4.4Å; F175-F222 HydrophobicContact CZ-CD2 4.2Å; P183-F222 CarbonylContact C-O 3.55Å; P183-F222 WeakPolarHBondContact CA-O 3.26Å; C184-F222 PolarHBondContact N-O 3.25Å; C184-F222 PolarHBondContact O-N 2.67Å; C184-F222 VanDerWaalsContact O-O 3.08Å; F222-L230 HydrophobicContact CB-CB 4.38Å; F222-L230 HydrophobicContact CB-CD2 3.93Å; F222-L230 HydrophobicContact CD1-CB 4.4Å; F222-L230 HydrophobicContact CG-CB 4.4Å; F222-L230 HydrophobicContact CG-CD2 4.5Å; F222-K231 CarbonylContact C-O 3.57Å; F222-K231 VanDerWaalsContact CA-O 3.22Å; F222-K231 WeakPolarHBondContact CA-O 3.48Å; F222-P232 HydrophobicContact CD1-CG 4.43Å; F222-P232 HydrophobicContact CE1-CG 4.37Å; F222-L233 VanDerWaalsContact O-CD1 3.32Å; F222-L233 WeakPolarHBondContact O-CD1 3.25Å
223N90.8Very high91.6Very high13 Ų1337.2 Ų37.27%0.0722%0.218CC..EExtended strand (participates in β ladder)trans-113.3131.3163.7-170.358.9000108.9L54 G182 E225 K231 L233L54-N223 VanDerWaalsContact CD2-OD1 3.25Å; L54-N223 WeakPolarHBondContact CD2-OD1 3.39Å; G182-N223 WeakPolarHBondContact CA-OD1 3.2Å; G182-N223 WeakPolarHBondContact O-CA 3.41Å; G182-N223 PolarHBondContact O-OD1 3.33Å; N223-E225 PolarHBondContact ND2-OE1 3.13Å; N223-K231 PolarHBondContact N-O 3.34Å; N223-K231 PolarHBondContact O-N 3.43Å; N223-L233 HydrophobicContact CB-CD2 3.97Å; N223-L233 HydrophobicContact CB-CG 4.47Å
224R89.4Confident91.1Very high26 Ų2638.9 Ų38.910%0.09823%0.234CC..EExtended strand (participates in β ladder)trans-85.2123.1172-175.874.563.3-167.9-2.1109.3E177 D180 T181 G182 G228 L230E177-R224 IonicContact OE1-CZ 3.41Å; E177-R224 IonicContact OE1-NE 2.72Å; E177-R224 PolarHBondContact OE1-NE 3.41Å; E177-R224 IonicContact OE1-NH2 2.77Å; E177-R224 PolarHBondContact OE1-NH2 3.5Å; D180-R224 VanDerWaalsContact O-CG 3.32Å; D180-R224 WeakPolarHBondContact O-CG 3.44Å; T181-R224 VanDerWaalsContact CA-O 3.32Å; T181-R224 WeakPolarHBondContact CA-O 3.06Å; T181-R224 WeakPolarHBondContact CB-O 3.38Å; G182-R224 PolarHBondContact N-O 2.91Å; G182-R224 PolarHBondContact O-N 3.31Å; R224-G228 VanDerWaalsContact CD-O 3.27Å; R224-G228 WeakPolarHBondContact CD-O 3.33Å; R224-G228 PolarHBondContact NH1-O 3.12Å; R224-L230 HydrophobicContact CB-CD2 4.48Å
225E85.5Confident90.8Very high41 Ų4144.7 Ų44.719%0.19226%0.259CS..  trans-88.3164.6174.1-61.1-59.4139.900111.8N223 D227 G228 S229 K231 Y468N223-E225 PolarHBondContact ND2-OE1 3.13Å; E225-D227 VanDerWaalsContact CB-OD1 3.31Å; E225-D227 WeakPolarHBondContact CB-OD1 3.48Å; E225-D227 PolarHBondContact O-N 2.63Å; E225-G228 WeakPolarHBondContact O-CA 3.49Å; E225-G228 PolarHBondContact O-N 3.26Å; E225-S229 PolarHBondContact N-O 3.17Å; E225-K231 HydrophobicContact CG-CG 4.05Å; E225-Y468 WeakPolarHBondContact OE1-CE2 3.41Å; E225-Y468 PolarHBondContact OE1-OH 3.5Å
226A78.9Confident90.7Very high93 Ų9350 Ų5077%0.76928%0.282SS*.THydrogen-bonded Turntrans-62.1-22.9-179.800000113.9T181T181-A226 HydrophobicContact CG2-CB 4.05Å
227D81.3Confident90.7Very high130 Ų13049.3 Ų49.370%0.69528%0.279SS*.THydrogen-bonded Turntrans-84.13.1174.168.4-1000113.3E225 S229E225-D227 VanDerWaalsContact CB-OD1 3.31Å; E225-D227 WeakPolarHBondContact CB-OD1 3.48Å; E225-D227 PolarHBondContact O-N 2.63Å; D227-S229 VanDerWaalsContact C-N 3.31Å; D227-S229 WeakPolarHBondContact OD1-CB 3.38Å; D227-S229 PolarHBondContact OD1-N 3.26Å; D227-S229 PolarHBondContact OD1-OG 2.91Å
228G82.8Confident90.6Very high39 Ų3949.3 Ų49.340%0.40228%0.279SS..SBendtrans85.2-6.3-178.700000114.7R224 E225R224-G228 VanDerWaalsContact CD-O 3.27Å; R224-G228 WeakPolarHBondContact CD-O 3.33Å; R224-G228 PolarHBondContact NH1-O 3.12Å; E225-G228 WeakPolarHBondContact O-CA 3.49Å; E225-G228 PolarHBondContact O-N 3.26Å
229S87.5Confident90.6Very high43 Ų4349.4 Ų49.430%0.30128%0.279SS..  trans-68.1150.5-179.768.60000112.6E225 D227E225-S229 PolarHBondContact N-O 3.17Å; D227-S229 VanDerWaalsContact C-N 3.31Å; D227-S229 WeakPolarHBondContact OD1-CB 3.38Å; D227-S229 PolarHBondContact OD1-N 3.26Å; D227-S229 PolarHBondContact OD1-OG 2.91Å
230L91.4Very high90.6Very high44 Ų4449.5 Ų49.523%0.2328%0.28CS..EExtended strand (participates in β ladder)trans-104.1121.9176.3-71.6175.9000110.3L146 F175 C184 F222 R224L146-L230 HydrophobicContact CD1-CD1 4.02Å; L146-L230 HydrophobicContact CD2-CD1 3.91Å; L146-L230 HydrophobicContact CG-CD1 4.35Å; F175-L230 HydrophobicContact CE2-CD1 4.43Å; F175-L230 HydrophobicContact CZ-CD1 3.78Å; F175-L230 HydrophobicContact CZ-CD2 4.27Å; C184-L230 WeakPolarHBondContact SG-CD2 3.31Å; F222-L230 HydrophobicContact CB-CB 4.38Å; F222-L230 HydrophobicContact CB-CD2 3.93Å; F222-L230 HydrophobicContact CD1-CB 4.4Å; F222-L230 HydrophobicContact CG-CB 4.4Å; F222-L230 HydrophobicContact CG-CD2 4.5Å; R224-L230 HydrophobicContact CB-CD2 4.48Å
231K90.5Very high90.6Very high74 Ų7450.2 Ų50.232%0.32229%0.287SS..EExtended strand (participates in β ladder)trans-112133.7173.3-55.7-138.9-147.6151.60110.8F222 N223 E225 Y468F222-K231 CarbonylContact C-O 3.57Å; F222-K231 VanDerWaalsContact CA-O 3.22Å; F222-K231 WeakPolarHBondContact CA-O 3.48Å; N223-K231 PolarHBondContact N-O 3.34Å; N223-K231 PolarHBondContact O-N 3.43Å; E225-K231 HydrophobicContact CG-CG 4.05Å; K231-Y468 HydrophobicContact CB-CE1 4.37Å; K231-Y468 WeakPolarHBondContact CB-OH 3.5Å; K231-Y468 HydrophobicContact CD-CE1 3.59Å; K231-Y468 HydrophobicContact CD-CE2 4.19Å; K231-Y468 WeakPolarHBondContact CD-OH 3.33Å; K231-Y468 VanDerWaalsContact CE-CZ 3.48Å; K231-Y468 WeakPolarHBondContact CE-OH 3.38Å; K231-Y468 HydrophobicContact CG-CE1 4.46Å; K231-Y468 WeakPolarHBondContact CG-OH 3.45Å
232P92Very high90.7Very high103 Ų10348.6 Ų48.667%0.66928%0.28SS*.EExtended strand (participates in β ladder)trans-59.4138.2177-24.134.1000112.3Q221 F222Q221-P232 WeakPolarHBondContact O-CA 3.45Å; F222-P232 HydrophobicContact CD1-CG 4.43Å; F222-P232 HydrophobicContact CE1-CG 4.37Å
233L91.1Very high90.8Very high22 Ų2247.4 Ų47.412%0.11528%0.279CS..EExtended strand (participates in β ladder)trans-79.5148.7172.7-73.3169.5000111L54 P183 I220 Q221 F222 N223 K235L54-L233 HydrophobicContact CD2-CD2 4.49Å; P183-L233 HydrophobicContact CB-CD1 4.34Å; I220-L233 HydrophobicContact CG2-CD1 3.35Å; Q221-L233 PolarHBondContact O-N 3.5Å; F222-L233 VanDerWaalsContact O-CD1 3.32Å; F222-L233 WeakPolarHBondContact O-CD1 3.25Å; N223-L233 HydrophobicContact CB-CD2 3.97Å; N223-L233 HydrophobicContact CB-CG 4.47Å; L233-K235 PolarHBondContact O-N 2.97Å
234P83.9Confident91.1Very high89 Ų8946.8 Ų46.858%0.57828%0.276SS*.EExtended strand (participates in β ladder)trans-61.2-31.4179.7-23.533.2000113.9
235K89.5Confident91.4Very high125 Ų12545.7 Ų45.754%0.54327%0.272SS..EExtended strand (participates in β ladder)trans-127.2129.9177.5-65.8-178.4-179178.90109.6L233 S237L233-K235 PolarHBondContact O-N 2.97Å; K235-S237 PolarHBondContact O-OG 3.38Å
236K94.2Very high91.9Very high112 Ų11246.1 Ų46.149%0.48727%0.271SS..EExtended strand (participates in β ladder)trans-71.7133.2167.9-67.8-177.1176.2-175.30109.2G107 F110 Q221G107-K236 VanDerWaalsContact CA-O 3.31Å; G107-K236 WeakPolarHBondContact CA-O 3.19Å; G107-K236 PolarHBondContact N-O 3.47Å; F110-K236 HydrophobicContact CD1-CD 4.14Å; F110-K236 HydrophobicContact CD2-CB 3.84Å; F110-K236 HydrophobicContact CE1-CB 4.43Å; F110-K236 HydrophobicContact CE1-CD 3.77Å; F110-K236 HydrophobicContact CE2-CB 3.74Å; F110-K236 HydrophobicContact CE2-CD 4.48Å; F110-K236 HydrophobicContact CE2-CG 4.46Å; F110-K236 HydrophobicContact CG-CB 4.26Å; F110-K236 HydrophobicContact CZ-CB 4.03Å; F110-K236 HydrophobicContact CZ-CD 3.95Å; F110-K236 HydrophobicContact CZ-CG 4.28Å; Q221-K236 HydrophobicContact CB-CG 4.16Å
237S96.3Very high92.7Very high4 Ų441.7 Ų41.73%0.02824%0.235CC..EExtended strand (participates in β ladder)trans-134.8159.4-170.8-61.20000110.4S105 F110 I220 K235S105-S237 CarbonylContact O-C 3.51Å; S105-S237 WeakPolarHBondContact O-CA 3.35Å; S105-S237 WeakPolarHBondContact O-CB 3.48Å; F110-S237 WeakPolarHBondContact CE2-O 3.42Å; I220-S237 PolarHBondContact N-O 2.94Å; I220-S237 PolarHBondContact O-N 3.25Å; K235-S237 PolarHBondContact O-OG 3.38Å
238I97.8Very high93.5Very high0 Ų035.5 Ų35.50%020%0.202CC..EExtended strand (participates in β ladder)trans-110.6134.5174.8-61.9-65.6000108.8W104 S105 Y109 F110 A114 F219 T240W104-I238 VanDerWaalsContact CA-O 3.29Å; W104-I238 WeakPolarHBondContact CA-O 3.47Å; S105-I238 PolarHBondContact N-O 3.06Å; S105-I238 PolarHBondContact O-N 2.84Å; Y109-I238 HydrophobicContact CD2-CG1 4.14Å; Y109-I238 HydrophobicContact CE2-CB 4.26Å; Y109-I238 HydrophobicContact CE2-CG1 3.92Å; Y109-I238 HydrophobicContact CE2-CG2 4.4Å; F110-I238 HydrophobicContact CD2-CD1 3.57Å; F110-I238 HydrophobicContact CD2-CG1 4.11Å; F110-I238 HydrophobicContact CE2-CD1 4.04Å; F110-I238 HydrophobicContact CG-CD1 4.28Å; A114-I238 HydrophobicContact CB-CD1 3.88Å; A114-I238 HydrophobicContact CB-CG1 4.07Å; A114-I238 HydrophobicContact CB-CG2 4.05Å; F219-I238 HydrophobicContact CD1-CD1 3.65Å; F219-I238 HydrophobicContact CE1-CD1 4.24Å; I238-T240 HydrophobicContact CG2-CG2 3.51Å
239D97.1Very high94.1Very high5 Ų533.7 Ų33.73%0.02718%0.183CC..EExtended strand (participates in β ladder)trans-125.8122.4166169.535.5000108.2M46 F53 W104 V218 I220M46-D239 HydrophobicContact CB-CB 4.39Å; M46-D239 WeakPolarHBondContact CB-OD2 3.41Å; M46-D239 WeakPolarHBondContact CG-OD2 3.48Å; F53-D239 HydrophobicContact CZ-CB 4.31Å; W104-D239 PolarHBondContact NE1-OD1 2.69Å; V218-D239 WeakPolarHBondContact CA-O 3.47Å; V218-D239 HydrophobicContact CB-CB 4.23Å; V218-D239 WeakPolarHBondContact CB-O 3.33Å; V218-D239 PolarHBondContact N-O 3.23Å; V218-D239 PolarHBondContact O-N 3.49Å; I220-D239 HydrophobicContact CD1-CB 3.42Å; I220-D239 VanDerWaalsContact CD1-CB 3.42Å; I220-D239 HydrophobicContact CG1-CB 4.02Å
240T96.9Very high94.4Very high2 Ų232.1 Ų32.11%0.01217%0.171CC..EExtended strand (participates in β ladder)trans-118.5140.8175.682.10000110.5G102 S103 W215 N216 L217 I238G102-T240 WeakPolarHBondContact CA-O 3.28Å; S103-T240 PolarHBondContact N-OG1 3.04Å; S103-T240 PolarHBondContact O-N 3.5Å; S103-T240 VanDerWaalsContact O-N 3.1Å; S103-T240 PolarHBondContact O-OG1 2.89Å; S103-T240 PolarHBondContact OG-OG1 3.49Å; W215-T240 VanDerWaalsContact NE1-CB 3.29Å; W215-T240 PolarHBondContact NE1-OG1 2.9Å; N216-T240 VanDerWaalsContact O-CA 3.32Å; N216-T240 WeakPolarHBondContact O-CA 3.16Å; L217-T240 HydrophobicContact CD2-CG2 3.57Å; I238-T240 HydrophobicContact CG2-CG2 3.51Å
241G95.9Very high94.6Very high15 Ų1531.8 Ų31.816%0.15517%0.169CC..EExtended strand (participates in β ladder)trans-134.6108.117900000111.2W215 N216W215-G241 VanDerWaalsContact CD1-C 3.47Å; N216-G241 PolarHBondContact N-O 3.46Å; N216-G241 PolarHBondContact O-N 3.32Å
242M97.2Very high94.8Very high0 Ų029.5 Ų29.50%016%0.16CC..EExtended strand (participates in β ladder)trans-110.1125174.8173.7-171.6-65.300109.2F14 M100 L101 L121 L122 I214 W215 L244 L247F14-M242 HydrophobicContact CD2-SD 4.16Å; F14-M242 HydrophobicContact CE2-CE 4.3Å; F14-M242 HydrophobicContact CE2-SD 4.22Å; M100-M242 CarbonylContact C-O 3.54Å; L101-M242 HydrophobicContact CB-CB 4.12Å; L101-M242 HydrophobicContact CD1-CG 4.46Å; L101-M242 HydrophobicContact CD1-SD 3.92Å; L101-M242 PolarHBondContact N-O 3.03Å; L101-M242 PolarHBondContact O-N 3.42Å; L121-M242 HydrophobicContact CD2-CE 4.23Å; L122-M242 HydrophobicContact CD2-CE 3.99Å; I214-M242 WeakPolarHBondContact O-CA 3.26Å; I214-M242 VanDerWaalsContact O-CG 3.25Å; I214-M242 WeakPolarHBondContact O-CG 3.37Å; W215-M242 HydrophobicContact CB-CB 4.28Å; W215-M242 HydrophobicContact CB-CE 4.23Å; W215-M242 HydrophobicContact CD2-CB 4.15Å; W215-M242 HydrophobicContact CD2-CE 3.18Å; W215-M242 HydrophobicContact CE3-CE 2.99Å; W215-M242 HydrophobicContact CG-CB 3.78Å; W215-M242 HydrophobicContact CG-CE 3.78Å; W215-M242 HydrophobicContact CG-CG 4.4Å; W215-M242 HydrophobicContact CH2-CE 3.73Å; W215-M242 HydrophobicContact CZ2-CE 3.93Å; W215-M242 HydrophobicContact CZ3-CE 3.25Å; M242-L244 PolarHBondContact O-N 3.01Å; M242-L247 HydrophobicContact CG-CB 4.48Å; M242-L247 HydrophobicContact SD-CB 4.26Å; M242-L247 HydrophobicContact SD-CD2 3.46Å; M242-L247 WeakPolarHBondContact SD-CD2 3.47Å; M242-L247 HydrophobicContact SD-CG 4.27Å
243G95.9Very high94.8Very high16 Ų1630.8 Ų30.817%0.16516%0.161CC..EExtended strand (participates in β ladder)trans-74.7114.3175.900000110.7E245 R246 L247G243-E245 VanDerWaalsContact C-N 3.31Å; G243-E245 PolarHBondContact O-N 3.24Å; G243-R246 PolarHBondContact O-N 2.93Å; G243-L247 PolarHBondContact O-N 3.24Å
244L97.4Very high94.9Very high0 Ų033.7 Ų33.70%017%0.173CC..Hα-helixtrans-56.4-46.6179.7177.466.1000111I10 R11 E99 L101 M242 R246 L247 V248I10-L244 HydrophobicContact CG2-CD1 4.06Å; R11-L244 HydrophobicContact CB-CD1 4.37Å; E99-L244 HydrophobicContact CB-CB 3.8Å; E99-L244 HydrophobicContact CB-CD2 3.84Å; E99-L244 HydrophobicContact CB-CG 4.48Å; E99-L244 HydrophobicContact CG-CD2 4.3Å; E99-L244 WeakPolarHBondContact O-CB 3.38Å; E99-L244 PolarHBondContact O-N 3.04Å; E99-L244 WeakPolarHBondContact OE1-CD2 3.37Å; L101-L244 HydrophobicContact CD1-CB 4.34Å; L101-L244 HydrophobicContact CD1-CD1 3.82Å; L101-L244 HydrophobicContact CD2-CD1 4.39Å; L101-L244 HydrophobicContact CG-CB 4.13Å; L101-L244 HydrophobicContact CG-CD1 4.29Å; M242-L244 PolarHBondContact O-N 3.01Å; L244-R246 VanDerWaalsContact C-N 3.28Å; L244-R246 PolarHBondContact O-N 3.45Å; L244-L247 PolarHBondContact O-N 3.38Å; L244-L247 VanDerWaalsContact O-N 3.16Å; L244-V248 HydrophobicContact CD1-CG2 3.76Å; L244-V248 HydrophobicContact CG-CG2 4.01Å; L244-V248 WeakPolarHBondContact O-CB 3.19Å; L244-V248 WeakPolarHBondContact O-CG2 3.32Å; L244-V248 PolarHBondContact O-N 3.04Å
245E96.6Very high95.2Very high3 Ų334.3 Ų34.31%0.01417%0.169CC..Hα-helixtrans-55.4-42.5-179.1-73.769.9-16800112.1F98 E99 G243 S249 N257 L262 F263 R303F98-E245 WeakPolarHBondContact CB-OE2 3.49Å; E99-E245 PolarHBondContact N-OE1 3.48Å; E99-E245 PolarHBondContact N-OE2 2.96Å; E99-E245 VanDerWaalsContact N-OE2 3.12Å; G243-E245 VanDerWaalsContact C-N 3.31Å; G243-E245 PolarHBondContact O-N 3.24Å; E245-S249 PolarHBondContact O-N 3.48Å; E245-S249 PolarHBondContact O-OG 3.44Å; E245-N257 HydrophobicContact CB-CB 4.29Å; E245-N257 PolarHBondContact O-OD1 2.79Å; E245-L262 HydrophobicContact CB-CD1 4.37Å; E245-L262 HydrophobicContact CG-CD1 3.95Å; E245-F263 HydrophobicContact CG-CE2 4.26Å; E245-R303 IonicContact OE1-CZ 2.97Å; E245-R303 IonicContact OE1-NH1 3.57Å; E245-R303 PolarHBondContact OE1-NH1 2.88Å; E245-R303 IonicContact OE1-NH2 2.69Å; E245-R303 PolarHBondContact OE1-NH2 3.29Å
246R95.4Very high95.3Very high50 Ų5028.6 Ų28.619%0.18915%0.145CC..Hα-helixtrans-71.3-43.8177.7-67.7-172.7179.4174.1-0.7111.4E213 G243 L244 V248 S249 V250E213-R246 WeakPolarHBondContact O-CD 3.38Å; E213-R246 PolarHBondContact O-NH1 3.13Å; E213-R246 IonicContact OE2-NH1 2.88Å; E213-R246 PolarHBondContact OE2-NH1 3.21Å; G243-R246 PolarHBondContact O-N 2.93Å; L244-R246 VanDerWaalsContact C-N 3.28Å; L244-R246 PolarHBondContact O-N 3.45Å; R246-V248 PolarHBondContact O-N 2.95Å; R246-S249 PolarHBondContact O-N 3.34Å; R246-S249 PolarHBondContact O-OG 3.49Å; R246-V250 WeakPolarHBondContact O-CG2 3.44Å; R246-V250 PolarHBondContact O-N 2.91Å; R246-V250 VanDerWaalsContact O-N 3.15Å
247L96.4Very high95.3Very high0 Ų023.3 Ų23.30%012%0.122CC..Hα-helixtrans-62.5-43.9177.6178.966000111.3I10 L101 L122 F126 I128 M242 G243 L244 S249 V250 L251I10-L247 HydrophobicContact CG2-CD2 3.5Å; I10-L247 HydrophobicContact CG2-CG 4.15Å; L101-L247 HydrophobicContact CD1-CD2 4.4Å; L122-L247 HydrophobicContact CD2-CD1 4.33Å; F126-L247 HydrophobicContact CD2-CD2 4.26Å; F126-L247 HydrophobicContact CE2-CD2 3.75Å; F126-L247 HydrophobicContact CZ-CD2 4.02Å; I128-L247 HydrophobicContact CD1-CD1 4.05Å; M242-L247 HydrophobicContact CG-CB 4.48Å; M242-L247 HydrophobicContact SD-CB 4.26Å; M242-L247 HydrophobicContact SD-CD2 3.46Å; M242-L247 WeakPolarHBondContact SD-CD2 3.47Å; M242-L247 HydrophobicContact SD-CG 4.27Å; G243-L247 PolarHBondContact O-N 3.24Å; L244-L247 PolarHBondContact O-N 3.38Å; L244-L247 VanDerWaalsContact O-N 3.16Å; L247-S249 VanDerWaalsContact C-N 3.33Å; L247-S249 PolarHBondContact O-N 3.22Å; L247-V250 WeakPolarHBondContact O-CB 3.42Å; L247-V250 PolarHBondContact O-N 2.85Å; L247-V250 VanDerWaalsContact O-N 3.13Å; L247-L251 HydrophobicContact CD1-CD1 3.96Å; L247-L251 HydrophobicContact CD1-CG 4.01Å; L247-L251 HydrophobicContact CD2-CD1 4.17Å; L247-L251 HydrophobicContact CG-CD1 3.85Å; L247-L251 HydrophobicContact CG-CG 4.23Å; L247-L251 WeakPolarHBondContact O-CG 3.45Å; L247-L251 PolarHBondContact O-N 3.35Å
248V96.8Very high95.3Very high0 Ų023.1 Ų23.10%012%0.121CC..Hα-helixtrans-60.6-43.9179.4173.70000110.6A7 I10 L244 R246 V250 L251 Q252 T260 L262A7-V248 HydrophobicContact CB-CG1 4.14Å; A7-V248 HydrophobicContact CB-CG2 3.74Å; I10-V248 HydrophobicContact CD1-CB 4.31Å; I10-V248 HydrophobicContact CD1-CG1 4.4Å; I10-V248 HydrophobicContact CD1-CG2 3.8Å; I10-V248 HydrophobicContact CG2-CG2 4.43Å; L244-V248 HydrophobicContact CD1-CG2 3.76Å; L244-V248 HydrophobicContact CG-CG2 4.01Å; L244-V248 WeakPolarHBondContact O-CB 3.19Å; L244-V248 WeakPolarHBondContact O-CG2 3.32Å; L244-V248 PolarHBondContact O-N 3.04Å; R246-V248 PolarHBondContact O-N 2.95Å; V248-V250 VanDerWaalsContact C-N 3.27Å; V248-V250 PolarHBondContact O-N 3.31Å; V248-L251 PolarHBondContact O-N 3.47Å; V248-Q252 VanDerWaalsContact CG1-CD 3.5Å; V248-Q252 HydrophobicContact CG1-CG 4.07Å; V248-Q252 VanDerWaalsContact CG1-NE2 3.35Å; V248-Q252 VanDerWaalsContact O-CB 3.26Å; V248-Q252 WeakPolarHBondContact O-CB 3.43Å; V248-Q252 VanDerWaalsContact O-CG 3.28Å; V248-Q252 WeakPolarHBondContact O-CG 3.48Å; V248-Q252 PolarHBondContact O-N 2.91Å; V248-T260 HydrophobicContact CG1-CG2 3.9Å; V248-L262 HydrophobicContact CB-CD1 4.16Å; V248-L262 HydrophobicContact CG1-CD1 4.27Å; V248-L262 HydrophobicContact CG1-CG 4.5Å; V248-L262 HydrophobicContact CG2-CD1 4.14Å
249S95.4Very high95.1Very high0 Ų025.4 Ų25.40%013%0.133CC..Hα-helixtrans-66.8-28.4177.7670000112.9R194 E245 R246 L247 N253 K254 N257R194-S249 PolarHBondContact NH1-O 2.98Å; R194-S249 PolarHBondContact NH2-OG 2.96Å; E245-S249 PolarHBondContact O-N 3.48Å; E245-S249 PolarHBondContact O-OG 3.44Å; R246-S249 PolarHBondContact O-N 3.34Å; R246-S249 PolarHBondContact O-OG 3.49Å; L247-S249 VanDerWaalsContact C-N 3.33Å; L247-S249 PolarHBondContact O-N 3.22Å; S249-N253 PolarHBondContact O-N 3.22Å; S249-K254 PolarHBondContact O-N 3.36Å; S249-K254 VanDerWaalsContact O-O 3.04Å; S249-N257 PolarHBondContact OG-OD1 3.35Å
250V94.6Very high95.1Very high10 Ų1025.1 Ų25.16%0.06113%0.132CC..Hα-helixtrans-68.3-53.4170.2169.30000111.1I128 Y192 I214 R246 L247 V248 Q252 N253I128-V250 HydrophobicContact CD1-CG1 4.17Å; Y192-V250 HydrophobicContact CD1-CB 4.25Å; Y192-V250 HydrophobicContact CD1-CG1 3.68Å; Y192-V250 HydrophobicContact CD1-CG2 3.53Å; Y192-V250 HydrophobicContact CD2-CG1 4.35Å; Y192-V250 HydrophobicContact CE1-CB 4.32Å; Y192-V250 HydrophobicContact CE1-CG1 3.56Å; Y192-V250 HydrophobicContact CE1-CG2 3.99Å; Y192-V250 HydrophobicContact CE2-CG1 4.26Å; Y192-V250 HydrophobicContact CG-CG1 4.07Å; Y192-V250 HydrophobicContact CG-CG2 4.22Å; I214-V250 HydrophobicContact CG2-CG2 4.13Å; R246-V250 WeakPolarHBondContact O-CG2 3.44Å; R246-V250 PolarHBondContact O-N 2.91Å; R246-V250 VanDerWaalsContact O-N 3.15Å; L247-V250 WeakPolarHBondContact O-CB 3.42Å; L247-V250 PolarHBondContact O-N 2.85Å; L247-V250 VanDerWaalsContact O-N 3.13Å; V248-V250 VanDerWaalsContact C-N 3.27Å; V248-V250 PolarHBondContact O-N 3.31Å; V250-Q252 VanDerWaalsContact C-N 3.28Å; V250-Q252 PolarHBondContact O-N 3.31Å; V250-N253 PolarHBondContact O-N 2.83Å
251L95.3Very high95Very high37 Ų3727.5 Ų27.519%0.19414%0.144CC..Hα-helixtrans-69.1-25.8-176-63.5179.9000113.4I10 F126 I128 L247 V248 N253I10-L251 HydrophobicContact CD1-CB 3.99Å; I10-L251 HydrophobicContact CD1-CD1 3.71Å; I10-L251 HydrophobicContact CD1-CG 4.45Å; I10-L251 HydrophobicContact CG1-CD1 3.76Å; I10-L251 HydrophobicContact CG2-CD1 4.03Å; F126-L251 HydrophobicContact CB-CD1 4.25Å; F126-L251 HydrophobicContact CB-CD2 3.92Å; F126-L251 HydrophobicContact CD1-CD1 3.6Å; F126-L251 HydrophobicContact CE1-CD1 4.04Å; F126-L251 HydrophobicContact CG-CD1 3.92Å; F126-L251 HydrophobicContact CG-CD2 4.48Å; I128-L251 HydrophobicContact CD1-CD2 3.97Å; I128-L251 HydrophobicContact CG1-CD2 3.82Å; L247-L251 HydrophobicContact CD1-CD1 3.96Å; L247-L251 HydrophobicContact CD1-CG 4.01Å; L247-L251 HydrophobicContact CD2-CD1 4.17Å; L247-L251 HydrophobicContact CG-CD1 3.85Å; L247-L251 HydrophobicContact CG-CG 4.23Å; L247-L251 WeakPolarHBondContact O-CG 3.45Å; L247-L251 PolarHBondContact O-N 3.35Å; V248-L251 PolarHBondContact O-N 3.47Å; L251-N253 VanDerWaalsContact C-N 3.33Å
252Q95.1Very high95Very high26 Ų2627.5 Ų27.512%0.12114%0.14CC..THydrogen-bonded Turntrans-89.51.1173.6-61.8-175.52.100113.8T4 L5 V248 V250 K254 D261T4-Q252 HydrophobicContact CG2-CB 3.9Å; T4-Q252 HydrophobicContact CG2-CG 3.63Å; L5-Q252 PolarHBondContact O-NE2 2.86Å; L5-Q252 VanDerWaalsContact O-NE2 3.09Å; V248-Q252 VanDerWaalsContact CG1-CD 3.5Å; V248-Q252 HydrophobicContact CG1-CG 4.07Å; V248-Q252 VanDerWaalsContact CG1-NE2 3.35Å; V248-Q252 VanDerWaalsContact O-CB 3.26Å; V248-Q252 WeakPolarHBondContact O-CB 3.43Å; V248-Q252 VanDerWaalsContact O-CG 3.28Å; V248-Q252 WeakPolarHBondContact O-CG 3.48Å; V248-Q252 PolarHBondContact O-N 2.91Å; V250-Q252 VanDerWaalsContact C-N 3.28Å; V250-Q252 PolarHBondContact O-N 3.31Å; Q252-K254 VanDerWaalsContact C-N 3.32Å; Q252-K254 HydrophobicContact CB-CG 3.93Å; Q252-K254 PolarHBondContact O-N 3.38Å; Q252-D261 PolarHBondContact NE2-OD1 3.29Å
253N92.8Very high95Very high130 Ų13027.5 Ų27.570%0.69514%0.14SC*.THydrogen-bonded Turntrans52.248.3-177.7-166.637.1000112.6S249 V250 L251S249-N253 PolarHBondContact O-N 3.22Å; V250-N253 PolarHBondContact O-N 2.83Å; L251-N253 VanDerWaalsContact C-N 3.33Å
254K93.1Very high94.9Very high84 Ų8430 Ų3037%0.36515%0.15SC..  trans-110.9137.7178.9-62.9-58.8-173.2173.70110.6R194 S249 Q252 D259 T260R194-K254 PolarHBondContact NH1-O 3.36Å; R194-K254 PolarHBondContact NH2-O 3.23Å; S249-K254 PolarHBondContact O-N 3.36Å; S249-K254 VanDerWaalsContact O-O 3.04Å; Q252-K254 VanDerWaalsContact C-N 3.32Å; Q252-K254 HydrophobicContact CB-CG 3.93Å; Q252-K254 PolarHBondContact O-N 3.38Å; K254-D259 HydrophobicContact CB-CB 4.16Å; K254-D259 HydrophobicContact CD-CB 4.11Å; K254-D259 WeakPolarHBondContact CE-O 3.19Å; K254-D259 HydrophobicContact CG-CB 4.29Å; K254-T260 HydrophobicContact CB-CG2 4.2Å; K254-T260 HydrophobicContact CG-CG2 4.2Å
255M90.3Very high94.9Very high102 Ų10232.1 Ų32.150%0.50216%0.163SC..SBendtrans-78.9-19.8-179.7-65.1-59.6-7000113.3N210N210-M255 VanDerWaalsContact OD1-CE 3.24Å; N210-M255 WeakPolarHBondContact OD1-CE 3.34Å
256S91.9Very high95Very high4 Ų432 Ų323%0.02816%0.162CC..SBendtrans-117.3146173.3-179.70000111.3V92 Y258 D259V92-S256 WeakPolarHBondContact CB-OG 3.38Å; V92-S256 PolarHBondContact O-OG 3.4Å; S256-Y258 PolarHBondContact O-N 3.09Å; S256-Y258 WeakPolarHBondContact OG-CB 3.25Å; S256-Y258 WeakPolarHBondContact OG-CD2 3.5Å; S256-Y258 PolarHBondContact OG-N 2.9Å; S256-D259 WeakPolarHBondContact CB-OD2 3.39Å; S256-D259 PolarHBondContact O-N 3.09Å
257N94.2Very high95.1Very high2 Ų230.3 Ų30.31%0.01116%0.157CC..G310 helixtrans-59.9-33.4166.3-68.1-3.5000111.3V92 Y93 H95 E245 S249 D259 T260 F263V92-N257 PolarHBondContact O-N 3.47Å; Y93-N257 WeakPolarHBondContact CA-ND2 3.3Å; Y93-N257 PolarHBondContact O-ND2 3.03Å; H95-N257 VanDerWaalsContact NE2-CB 3.33Å; H95-N257 WeakPolarHBondContact NE2-CB 3.14Å; H95-N257 PolarHBondContact NE2-ND2 2.79Å; E245-N257 HydrophobicContact CB-CB 4.29Å; E245-N257 PolarHBondContact O-OD1 2.79Å; S249-N257 PolarHBondContact OG-OD1 3.35Å; N257-D259 VanDerWaalsContact C-N 3.27Å; N257-D259 PolarHBondContact O-N 3.47Å; N257-T260 WeakPolarHBondContact O-CB 3.28Å; N257-T260 WeakPolarHBondContact O-CG2 3.36Å; N257-T260 PolarHBondContact O-N 3.07Å; N257-T260 PolarHBondContact O-OG1 3.46Å; N257-F263 VanDerWaalsContact O-CD2 3.23Å; N257-F263 WeakPolarHBondContact O-CD2 3.41Å
258Y95.1Very high95.2Very high0 Ų036.3 Ų36.30%018%0.184CC..G310 helixtrans-73.5-13.9-179.2-62.7-79.6000114.1H94 H95 S256 T260 F263 F267 R296H94-Y258 PolarHBondContact O-OH 3.03Å; H95-Y258 AromaticContact CE1-CE1 3.69Å; H95-Y258 AromaticContact CE1-CE2 3.79Å; H95-Y258 AromaticContact CE1-CZ 3.43Å; H95-Y258 VanDerWaalsContact CE1-CZ 3.43Å; H95-Y258 AromaticContact ND1-CE1 3.86Å; H95-Y258 AromaticContact ND1-CZ 3.58Å; H95-Y258 PolarHBondContact ND1-OH 3.1Å; S256-Y258 PolarHBondContact O-N 3.09Å; S256-Y258 WeakPolarHBondContact OG-CB 3.25Å; S256-Y258 WeakPolarHBondContact OG-CD2 3.5Å; S256-Y258 PolarHBondContact OG-N 2.9Å; Y258-T260 VanDerWaalsContact C-N 3.27Å; Y258-T260 PolarHBondContact O-N 3.17Å; Y258-F263 AromaticContact CD1-CD1 3.72Å; Y258-F263 HydrophobicContact CD1-CD1 3.72Å; Y258-F263 HydrophobicContact CD1-CD2 4.24Å; Y258-F263 AromaticContact CD1-CE1 3.77Å; Y258-F263 HydrophobicContact CD1-CE1 3.77Å; Y258-F263 HydrophobicContact CD1-CE2 4.27Å; Y258-F263 AromaticContact CD1-CG 3.95Å; Y258-F263 HydrophobicContact CD1-CG 3.95Å; Y258-F263 HydrophobicContact CD1-CZ 4.04Å; Y258-F263 HydrophobicContact CE1-CD1 4.17Å; Y258-F263 AromaticContact CE1-CE1 3.78Å; Y258-F263 HydrophobicContact CE1-CE1 3.78Å; Y258-F263 HydrophobicContact CE1-CZ 4.02Å; Y258-F263 WeakPolarHBondContact O-CB 3.36Å; Y258-F267 HydrophobicContact CD1-CZ 4.13Å; Y258-F267 HydrophobicContact CG-CZ 4.43Å; Y258-F267 VanDerWaalsContact O-CE2 3.26Å; Y258-F267 WeakPolarHBondContact O-CE2 3.28Å; Y258-R296 HydrophobicContact CD1-CB 4.02Å; Y258-R296 HydrophobicContact CD1-CG 3.73Å; Y258-R296 VanDerWaalsContact CD2-CD 3.44Å; Y258-R296 HydrophobicContact CD2-CG 3.85Å; Y258-R296 HydrophobicContact CE1-CB 3.77Å; Y258-R296 HydrophobicContact CE1-CG 3.97Å; Y258-R296 HydrophobicContact CE2-CB 4.36Å; Y258-R296 HydrophobicContact CE2-CG 4.12Å; Y258-R296 HydrophobicContact CG-CB 4.39Å; Y258-R296 HydrophobicContact CG-CG 3.65Å
259D94.4Very high95.2Very high47 Ų4737.6 Ų37.625%0.25120%0.195SC..G310 helixtrans-90.48.8179.7-59.1-17.7000112.8K254 S256 N257 Y279K254-D259 HydrophobicContact CB-CB 4.16Å; K254-D259 HydrophobicContact CD-CB 4.11Å; K254-D259 WeakPolarHBondContact CE-O 3.19Å; K254-D259 HydrophobicContact CG-CB 4.29Å; S256-D259 WeakPolarHBondContact CB-OD2 3.39Å; S256-D259 PolarHBondContact O-N 3.09Å; N257-D259 VanDerWaalsContact C-N 3.27Å; N257-D259 PolarHBondContact O-N 3.47Å; D259-Y279 WeakPolarHBondContact OD1-CE1 3.46Å
260T95.8Very high95.3Very high0 Ų037.6 Ų37.60%020%0.195CC..SBendtrans-95.9168-175.866.10000112.2V248 K254 N257 Y258 L262 F263 I264V248-T260 HydrophobicContact CG1-CG2 3.9Å; K254-T260 HydrophobicContact CB-CG2 4.2Å; K254-T260 HydrophobicContact CG-CG2 4.2Å; N257-T260 WeakPolarHBondContact O-CB 3.28Å; N257-T260 WeakPolarHBondContact O-CG2 3.36Å; N257-T260 PolarHBondContact O-N 3.07Å; N257-T260 PolarHBondContact O-OG1 3.46Å; Y258-T260 VanDerWaalsContact C-N 3.27Å; Y258-T260 PolarHBondContact O-N 3.17Å; T260-L262 PolarHBondContact O-N 3.07Å; T260-L262 WeakPolarHBondContact OG1-CB 3.38Å; T260-L262 PolarHBondContact OG1-N 2.95Å; T260-F263 PolarHBondContact O-N 3.22Å; T260-I264 VanDerWaalsContact O-CG1 3.31Å; T260-I264 WeakPolarHBondContact O-CG1 3.4Å; T260-I264 PolarHBondContact O-N 2.72Å
261D95.3Very high95.4Very high51 Ų5140.9 Ų40.927%0.27321%0.21SC..THydrogen-bonded Turntrans-60.3-13.5173.770.3-28000114.1T6 A7 Q252 F263 P265T6-D261 WeakPolarHBondContact CA-OD2 3.48Å; T6-D261 WeakPolarHBondContact CB-OD2 3.29Å; A7-D261 WeakPolarHBondContact CB-OD1 3.43Å; A7-D261 PolarHBondContact N-OD1 2.85Å; A7-D261 PolarHBondContact N-OD2 3.12Å; Q252-D261 PolarHBondContact NE2-OD1 3.29Å; D261-F263 VanDerWaalsContact C-N 3.34Å; D261-P265 WeakPolarHBondContact O-CD 3.31Å
262L95.6Very high95.5Very high15 Ų1548 Ų488%0.07924%0.239CC..THydrogen-bonded Turntrans-67.6-29.5171.3-69.9169.3000113.4A7 E245 V248 T260 Y266A7-L262 HydrophobicContact CB-CD1 4.28Å; A7-L262 HydrophobicContact CB-CD2 3.42Å; A7-L262 VanDerWaalsContact CB-CD2 3.42Å; A7-L262 HydrophobicContact CB-CG 3.63Å; E245-L262 HydrophobicContact CB-CD1 4.37Å; E245-L262 HydrophobicContact CG-CD1 3.95Å; V248-L262 HydrophobicContact CB-CD1 4.16Å; V248-L262 HydrophobicContact CG1-CD1 4.27Å; V248-L262 HydrophobicContact CG1-CG 4.5Å; V248-L262 HydrophobicContact CG2-CD1 4.14Å; T260-L262 PolarHBondContact O-N 3.07Å; T260-L262 WeakPolarHBondContact OG1-CB 3.38Å; T260-L262 PolarHBondContact OG1-N 2.95Å; L262-Y266 WeakPolarHBondContact O-CD2 3.27Å; L262-Y266 WeakPolarHBondContact O-CE2 3.48Å
263F97.2Very high95.4Very high0 Ų048.4 Ų48.40%025%0.25CS..THydrogen-bonded Turntrans-119.3-24.4-170.2-71.3-84.3000114.1H95 E245 N257 Y258 T260 D261 P265 Y266 F267 A299H95-F263 AromaticContact CE1-CE2 3.69Å; H95-F263 AromaticContact CE1-CZ 3.33Å; H95-F263 WeakPolarHBondContact CE1-CZ 3.25Å; H95-F263 AromaticContact ND1-CZ 3.59Å; E245-F263 HydrophobicContact CG-CE2 4.26Å; N257-F263 VanDerWaalsContact O-CD2 3.23Å; N257-F263 WeakPolarHBondContact O-CD2 3.41Å; Y258-F263 AromaticContact CD1-CD1 3.72Å; Y258-F263 HydrophobicContact CD1-CD1 3.72Å; Y258-F263 HydrophobicContact CD1-CD2 4.24Å; Y258-F263 AromaticContact CD1-CE1 3.77Å; Y258-F263 HydrophobicContact CD1-CE1 3.77Å; Y258-F263 HydrophobicContact CD1-CE2 4.27Å; Y258-F263 AromaticContact CD1-CG 3.95Å; Y258-F263 HydrophobicContact CD1-CG 3.95Å; Y258-F263 HydrophobicContact CD1-CZ 4.04Å; Y258-F263 HydrophobicContact CE1-CD1 4.17Å; Y258-F263 AromaticContact CE1-CE1 3.78Å; Y258-F263 HydrophobicContact CE1-CE1 3.78Å; Y258-F263 HydrophobicContact CE1-CZ 4.02Å; Y258-F263 WeakPolarHBondContact O-CB 3.36Å; T260-F263 PolarHBondContact O-N 3.22Å; D261-F263 VanDerWaalsContact C-N 3.34Å; F263-P265 VanDerWaalsContact C-CD 3.47Å; F263-Y266 WeakPolarHBondContact O-CB 3.48Å; F263-Y266 PolarHBondContact O-N 3.18Å; F263-F267 HydrophobicContact CB-CE2 4.32Å; F263-F267 HydrophobicContact CB-CZ 4.2Å; F263-F267 PolarHBondContact O-N 3.14Å; F263-A299 HydrophobicContact CD1-CB 3.9Å; F263-A299 HydrophobicContact CE1-CB 4.46Å
264I95.6Very high95.5Very high70 Ų7043.4 Ų43.436%0.35922%0.224SC..Hα-helixtrans-49.6-46.8179.2-70.5165.1000113T260 Y266 F267 E268T260-I264 VanDerWaalsContact O-CG1 3.31Å; T260-I264 WeakPolarHBondContact O-CG1 3.4Å; T260-I264 PolarHBondContact O-N 2.72Å; I264-Y266 PolarHBondContact O-N 3Å; I264-F267 PolarHBondContact O-N 3.2Å; I264-F267 VanDerWaalsContact O-N 3.12Å; I264-E268 HydrophobicContact CG2-CG 4.37Å; I264-E268 WeakPolarHBondContact O-CG 3.25Å; I264-E268 PolarHBondContact O-N 3.19Å
265P97.4Very high95.6Very high43 Ų4342.6 Ų42.628%0.27924%0.24SC..Hα-helixtrans-60.1-33.1179.8-25.135.4000113.8D261 F263 A269 V352D261-P265 WeakPolarHBondContact O-CD 3.31Å; F263-P265 VanDerWaalsContact C-CD 3.47Å; P265-A269 WeakPolarHBondContact O-CB 3.47Å; P265-A269 PolarHBondContact O-N 3.49Å; P265-A269 VanDerWaalsContact O-N 3.12Å; P265-V352 HydrophobicContact CB-CG1 4.03Å
266Y97.9Very high95.8Very high1 Ų138.6 Ų38.60%0.00422%0.223CC..Hα-helixtrans-70.5-42.6177.1-61.4-90.7000111.1L262 F263 I264 E268 A269 I270 A299 R303 V352 V353L262-Y266 WeakPolarHBondContact O-CD2 3.27Å; L262-Y266 WeakPolarHBondContact O-CE2 3.48Å; F263-Y266 WeakPolarHBondContact O-CB 3.48Å; F263-Y266 PolarHBondContact O-N 3.18Å; I264-Y266 PolarHBondContact O-N 3Å; Y266-E268 VanDerWaalsContact C-N 3.34Å; Y266-E268 PolarHBondContact O-N 3.38Å; Y266-A269 PolarHBondContact O-N 2.95Å; Y266-I270 WeakPolarHBondContact O-CB 3.29Å; Y266-I270 WeakPolarHBondContact O-CD1 3.02Å; Y266-I270 WeakPolarHBondContact O-CG1 3.44Å; Y266-I270 PolarHBondContact O-N 3.24Å; Y266-A299 HydrophobicContact CD1-CB 4.5Å; Y266-A299 HydrophobicContact CG-CB 4.04Å; Y266-R303 HydrophobicContact CE1-CG 4.11Å; Y266-R303 HydrophobicContact CE2-CG 4.4Å; Y266-R303 WeakPolarHBondContact OH-CG 3.47Å; Y266-V352 HydrophobicContact CD1-CB 4.03Å; Y266-V352 HydrophobicContact CD1-CG1 3.65Å; Y266-V352 HydrophobicContact CD2-CG1 4.24Å; Y266-V352 HydrophobicContact CE1-CB 3.98Å; Y266-V352 HydrophobicContact CE1-CG1 3.74Å; Y266-V352 HydrophobicContact CE2-CG1 4.34Å; Y266-V352 HydrophobicContact CG-CG1 3.93Å; Y266-V353 HydrophobicContact CE1-CB 4.44Å; Y266-V353 HydrophobicContact CE1-CG2 3.59Å; Y266-V353 WeakPolarHBondContact OH-CA 3.48Å
267F97.7Very high95.9Very high15 Ų1540.8 Ų40.87%0.06623%0.231CC..Hα-helixtrans-65.7-38.9178.8-62.7-12.8000111.6Y258 F263 I264 A269 I270 Q271 Y279 Y295 R296 A299Y258-F267 HydrophobicContact CD1-CZ 4.13Å; Y258-F267 HydrophobicContact CG-CZ 4.43Å; Y258-F267 VanDerWaalsContact O-CE2 3.26Å; Y258-F267 WeakPolarHBondContact O-CE2 3.28Å; F263-F267 HydrophobicContact CB-CE2 4.32Å; F263-F267 HydrophobicContact CB-CZ 4.2Å; F263-F267 PolarHBondContact O-N 3.14Å; I264-F267 PolarHBondContact O-N 3.2Å; I264-F267 VanDerWaalsContact O-N 3.12Å; F267-A269 PolarHBondContact O-N 3.26Å; F267-I270 HydrophobicContact CD1-CD1 4.39Å; F267-I270 PolarHBondContact O-N 3.17Å; F267-Q271 VanDerWaalsContact O-CB 3.31Å; F267-Q271 WeakPolarHBondContact O-CB 3.42Å; F267-Q271 PolarHBondContact O-N 3.38Å; F267-Y279 AromaticContact CD2-CD1 3.81Å; F267-Y279 HydrophobicContact CD2-CD1 3.81Å; F267-Y279 HydrophobicContact CD2-CD2 4.45Å; F267-Y279 HydrophobicContact CD2-CE1 4.27Å; F267-Y279 AromaticContact CD2-CG 3.9Å; F267-Y279 HydrophobicContact CD2-CG 3.9Å; F267-Y279 AromaticContact CE2-CD1 3.71Å; F267-Y279 HydrophobicContact CE2-CD1 3.71Å; F267-Y279 HydrophobicContact CE2-CD2 4.18Å; F267-Y279 AromaticContact CE2-CE1 3.69Å; F267-Y279 HydrophobicContact CE2-CE1 3.69Å; F267-Y279 HydrophobicContact CE2-CE2 4.17Å; F267-Y279 AromaticContact CE2-CG 3.95Å; F267-Y279 HydrophobicContact CE2-CG 3.95Å; F267-Y279 AromaticContact CE2-CZ 3.92Å; F267-Y279 HydrophobicContact CZ-CE2 4.31Å; F267-Y295 HydrophobicContact CB-CD1 3.98Å; F267-Y295 HydrophobicContact CB-CE1 4.27Å; F267-Y295 AromaticContact CD1-CD1 3.75Å; F267-Y295 HydrophobicContact CD1-CD1 3.75Å; F267-Y295 HydrophobicContact CD1-CG 4.32Å; F267-Y295 HydrophobicContact CE1-CD1 4.5Å; F267-Y295 WeakPolarHBondContact CE1-O 3.31Å; F267-Y295 HydrophobicContact CG-CD1 4Å; F267-Y295 WeakPolarHBondContact O-CE1 3.49Å; F267-R296 HydrophobicContact CZ-CG 4.3Å; F267-A299 HydrophobicContact CD1-CB 4.16Å; F267-A299 HydrophobicContact CE1-CB 3.68Å
268E97.6Very high95.9Very high125 Ų12544.1 Ų44.158%0.58425%0.253SS*.Hα-helixtrans-61.7-43.5172.9-69.1178.7169.500112I264 Y266 Q271 K272I264-E268 HydrophobicContact CG2-CG 4.37Å; I264-E268 WeakPolarHBondContact O-CG 3.25Å; I264-E268 PolarHBondContact O-N 3.19Å; Y266-E268 VanDerWaalsContact C-N 3.34Å; Y266-E268 PolarHBondContact O-N 3.38Å; E268-Q271 PolarHBondContact O-N 2.72Å; E268-K272 VanDerWaalsContact O-CB 3.26Å; E268-K272 WeakPolarHBondContact O-CB 3.49Å; E268-K272 PolarHBondContact O-N 3.42Å
269A97.7Very high96Very high27 Ų2746.1 Ų46.122%0.22326%0.261CS..Hα-helixtrans-65.4-42.3176.800000112.4P265 Y266 F267 K272 G273 L349 V352P265-A269 WeakPolarHBondContact O-CB 3.47Å; P265-A269 PolarHBondContact O-N 3.49Å; P265-A269 VanDerWaalsContact O-N 3.12Å; Y266-A269 PolarHBondContact O-N 2.95Å; F267-A269 PolarHBondContact O-N 3.26Å; A269-K272 PolarHBondContact O-N 3.49Å; A269-G273 PolarHBondContact O-N 3.43Å; A269-L349 HydrophobicContact CB-CD2 4.03Å; A269-V352 HydrophobicContact CB-CG2 3.7Å
270I97.9Very high96Very high0 Ų050.4 Ų50.40%028%0.277CS..Hα-helixtrans-62.3-49.3175.6-67.8163.2000110.5Y266 F267 K272 G273 T274 Y295 L298 L339 F345 L349Y266-I270 WeakPolarHBondContact O-CB 3.29Å; Y266-I270 WeakPolarHBondContact O-CD1 3.02Å; Y266-I270 WeakPolarHBondContact O-CG1 3.44Å; Y266-I270 PolarHBondContact O-N 3.24Å; F267-I270 HydrophobicContact CD1-CD1 4.39Å; F267-I270 PolarHBondContact O-N 3.17Å; I270-K272 VanDerWaalsContact C-N 3.33Å; I270-K272 PolarHBondContact O-N 3.06Å; I270-G273 PolarHBondContact O-N 2.92Å; I270-T274 HydrophobicContact CG2-CG2 4.26Å; I270-T274 WeakPolarHBondContact O-CB 3.4Å; I270-T274 VanDerWaalsContact O-CG2 3.32Å; I270-T274 WeakPolarHBondContact O-CG2 3.47Å; I270-T274 PolarHBondContact O-N 2.92Å; I270-T274 PolarHBondContact O-OG1 3.17Å; I270-Y295 HydrophobicContact CB-CD1 3.82Å; I270-Y295 HydrophobicContact CB-CE1 3.6Å; I270-Y295 HydrophobicContact CD1-CD1 4.07Å; I270-Y295 HydrophobicContact CG2-CD1 3.6Å; I270-Y295 HydrophobicContact CG2-CE1 3.35Å; I270-Y295 HydrophobicContact CG2-CG 4.38Å; I270-L298 HydrophobicContact CD1-CB 3.67Å; I270-L298 HydrophobicContact CD1-CD2 4.29Å; I270-L298 HydrophobicContact CG1-CB 4.47Å; I270-L298 HydrophobicContact CG1-CD2 4.28Å; I270-L298 HydrophobicContact CG2-CD2 4.46Å; I270-L339 HydrophobicContact CG2-CD1 3.72Å; I270-F345 HydrophobicContact CG1-CE1 4.45Å; I270-F345 HydrophobicContact CG1-CZ 4.39Å; I270-L349 HydrophobicContact CD1-CD1 4.33Å; I270-L349 HydrophobicContact CG1-CD1 4.05Å; I270-L349 HydrophobicContact CG1-CD2 3.98Å
271Q96.9Very high95.8Very high79 Ų7951.7 Ų51.737%0.36929%0.29SS..Hα-helixtrans-58.7-47.3178.8-171.8-171.5-10.500110.9F267 E268 G275 A276 Y295F267-Q271 VanDerWaalsContact O-CB 3.31Å; F267-Q271 WeakPolarHBondContact O-CB 3.42Å; F267-Q271 PolarHBondContact O-N 3.38Å; E268-Q271 PolarHBondContact O-N 2.72Å; Q271-G275 WeakPolarHBondContact O-CA 3.38Å; Q271-G275 PolarHBondContact O-N 3.21Å; Q271-A276 WeakPolarHBondContact CG-O 3.35Å; Q271-Y295 WeakPolarHBondContact CA-OH 3.37Å; Q271-Y295 HydrophobicContact CB-CE1 4.35Å; Q271-Y295 WeakPolarHBondContact CB-OH 3.25Å
272K96.1Very high95.7Very high188 Ų18852.4 Ų52.482%0.81729%0.292SS*.Hα-helixtrans-64.1-42-179.7-176.7-178.8177.7-175.30112.6E268 A269 I270E268-K272 VanDerWaalsContact O-CB 3.26Å; E268-K272 WeakPolarHBondContact O-CB 3.49Å; E268-K272 PolarHBondContact O-N 3.42Å; A269-K272 PolarHBondContact O-N 3.49Å; I270-K272 VanDerWaalsContact C-N 3.33Å; I270-K272 PolarHBondContact O-N 3.06Å
273G93.7Very high95.5Very high34 Ų3454 Ų5435%0.35130%0.303SS..Hα-helixtrans-81.2-24-175.200000114.9A269 I270A269-G273 PolarHBondContact O-N 3.43Å; I270-G273 PolarHBondContact O-N 2.92Å
274T95.4Very high95Very high24 Ų2457 Ų5715%0.14733%0.333CS..Hα-helixtrans-105.9-24.7-177.765.80000113.6I270 A276 L339 A341 F345I270-T274 HydrophobicContact CG2-CG2 4.26Å; I270-T274 WeakPolarHBondContact O-CB 3.4Å; I270-T274 VanDerWaalsContact O-CG2 3.32Å; I270-T274 WeakPolarHBondContact O-CG2 3.47Å; I270-T274 PolarHBondContact O-N 2.92Å; I270-T274 PolarHBondContact O-OG1 3.17Å; T274-A276 PolarHBondContact O-N 2.83Å; T274-A276 WeakPolarHBondContact OG1-CB 3.47Å; T274-A276 PolarHBondContact OG1-N 2.84Å; T274-L339 HydrophobicContact CG2-CB 4.05Å; T274-A341 HydrophobicContact CG2-CB 3.67Å; T274-F345 HydrophobicContact CG2-CD1 3.99Å; T274-F345 HydrophobicContact CG2-CE1 3.68Å; T274-F345 HydrophobicContact CG2-CZ 4.03Å
275G94.1Very high94.7Very high68 Ų6858.3 Ų58.370%0.70136%0.355SS*.  trans72.610.8-171.300000113.8Q271Q271-G275 WeakPolarHBondContact O-CA 3.38Å; Q271-G275 PolarHBondContact O-N 3.21Å
276A94.1Very high94.3Very high17 Ų1761.9 Ų61.914%0.1437%0.371CS..PPolyproline II helixtrans-62.1159.8175.200000111.7Q271 T274 Y295 L339Q271-A276 WeakPolarHBondContact CG-O 3.35Å; T274-A276 PolarHBondContact O-N 2.83Å; T274-A276 WeakPolarHBondContact OG1-CB 3.47Å; T274-A276 PolarHBondContact OG1-N 2.84Å; A276-Y295 HydrophobicContact CB-CE2 4.37Å; A276-L339 HydrophobicContact CB-CD2 3.87Å
277R94.8Very high94Very high50 Ų5062.4 Ų62.419%0.18937%0.374CS..PPolyproline II helixtrans-59.1155.8173.264166.3-178.174.8-2.3110.9D287 D289 I291 D292 Y295R277-D287 IonicContact NH2-OD1 3.18Å; R277-D287 PolarHBondContact NH2-OD1 3.29Å; R277-D289 IonicContact CZ-OD1 3.96Å; R277-D289 IonicContact CZ-OD2 2.95Å; R277-D289 IonicContact NE-OD1 3.79Å; R277-D289 IonicContact NE-OD2 2.7Å; R277-D289 PolarHBondContact NE-OD2 3.05Å; R277-D289 IonicContact NH2-OD1 2.67Å; R277-D289 PolarHBondContact NH2-OD1 2.96Å; R277-D289 IonicContact NH2-OD2 3.78Å; R277-D289 PolarHBondContact NH2-OD2 3.32Å; R277-I291 HydrophobicContact CG-CD1 3.98Å; R277-I291 HydrophobicContact CG-CG2 4.08Å; R277-D292 IonicContact CZ-OD1 3.92Å; R277-D292 IonicContact NH1-OD1 2.89Å; R277-D292 PolarHBondContact NH1-OD1 3.04Å; R277-D292 IonicContact NH2-OD1 3Å; R277-D292 PolarHBondContact NH2-OD1 3.41Å; R277-Y295 WeakPolarHBondContact O-CE2 3.32Å; R277-Y295 PolarHBondContact O-OH 2.78Å
278P95.1Very high93.6Very high73 Ų7366.4 Ų66.447%0.47441%0.41SS..PPolyproline II helixtrans-55.4147172.1-22.531.3000112.2
279Y95.2Very high93.2Very high42 Ų4264 Ų6417%0.16540%0.401CS..PPolyproline II helixtrans-61.9135.9171178.9-103.8000110.6D259 F267 D292 Y295 R296D259-Y279 WeakPolarHBondContact OD1-CE1 3.46Å; F267-Y279 AromaticContact CD2-CD1 3.81Å; F267-Y279 HydrophobicContact CD2-CD1 3.81Å; F267-Y279 HydrophobicContact CD2-CD2 4.45Å; F267-Y279 HydrophobicContact CD2-CE1 4.27Å; F267-Y279 AromaticContact CD2-CG 3.9Å; F267-Y279 HydrophobicContact CD2-CG 3.9Å; F267-Y279 AromaticContact CE2-CD1 3.71Å; F267-Y279 HydrophobicContact CE2-CD1 3.71Å; F267-Y279 HydrophobicContact CE2-CD2 4.18Å; F267-Y279 AromaticContact CE2-CE1 3.69Å; F267-Y279 HydrophobicContact CE2-CE1 3.69Å; F267-Y279 HydrophobicContact CE2-CE2 4.17Å; F267-Y279 AromaticContact CE2-CG 3.95Å; F267-Y279 HydrophobicContact CE2-CG 3.95Å; F267-Y279 AromaticContact CE2-CZ 3.92Å; F267-Y279 HydrophobicContact CZ-CE2 4.31Å; Y279-D292 HydrophobicContact CD2-CB 3.84Å; Y279-D292 HydrophobicContact CE2-CB 3.65Å; Y279-Y295 HydrophobicContact CD2-CD2 4.22Å; Y279-Y295 HydrophobicContact CD2-CG 4.08Å; Y279-R296 HydrophobicContact CE2-CG 4.07Å; Y279-R296 PolarHBondContact OH-NH1 3.03Å; Y279-R296 VanDerWaalsContact OH-NH1 3.09Å
280K94.4Very high92.9Very high136 Ų13663.3 Ų63.359%0.59140%0.396SS*.  trans-116.2-7.5-176-67.6177.3-178.5174.20114.3Q282 D292K280-Q282 HydrophobicContact CB-CG 3.91Å; K280-D292 VanDerWaalsContact C-OD2 3.24Å; K280-D292 VanDerWaalsContact CA-OD2 3.3Å; K280-D292 WeakPolarHBondContact CA-OD2 3.41Å; K280-D292 WeakPolarHBondContact CB-OD2 3.41Å; K280-D292 PolarHBondContact N-OD1 2.92Å; K280-D292 PolarHBondContact N-OD2 2.67Å
281G92.2Very high92.8Very high28 Ų2864.5 Ų64.529%0.28940%0.403SS..  trans78.516.8-176.300000114.7D292G281-D292 PolarHBondContact N-OD2 3.36Å
282Q93.6Very high92.7Very high66 Ų6660.7 Ų60.731%0.30839%0.385SS..  trans-80.8148.4-177.4-58.6-176.6-7000111.7K280 D286 D287 D292 R296K280-Q282 HydrophobicContact CB-CG 3.91Å; Q282-D286 HydrophobicContact CB-CB 4.18Å; Q282-D286 PolarHBondContact NE2-O 3.17Å; Q282-D286 VanDerWaalsContact NE2-O 3.15Å; Q282-D286 PolarHBondContact OE1-O 2.66Å; Q282-D287 HydrophobicContact CB-CB 3.98Å; Q282-D292 PolarHBondContact N-OD2 3.37Å; Q282-D292 WeakPolarHBondContact O-CB 3.46Å; Q282-R296 PolarHBondContact O-NH1 2.88Å; Q282-R296 PolarHBondContact O-NH2 3.37Å
283V90.7Very high92.6Very high49 Ų4953.2 Ų53.230%0.29735%0.353SS..  trans-137.2156.5179.1-67.10000111V92 A285 D286V92-V283 HydrophobicContact CG1-CG1 3.67Å; V283-A285 PolarHBondContact O-N 3.12Å; V283-D286 PolarHBondContact O-N 3.01Å; V283-D286 VanDerWaalsContact O-N 3.14Å
284G87.8Confident92.7Very high63 Ų6351.6 Ų51.665%0.64934%0.336SS*.G310 helixtrans56.4-130.7175.400000113.2D286 D287G284-D286 PolarHBondContact O-N 3.22Å; G284-D287 PolarHBondContact O-N 3Å
285A87.9Confident92.8Very high97 Ų9750.5 Ų50.580%0.80233%0.33SS*.G310 helixtrans-64.1-22.4-178.900000113.7V283 D287V283-A285 PolarHBondContact O-N 3.12Å; A285-D287 VanDerWaalsContact C-N 3.35Å
286D90.8Very high92.9Very high118 Ų11847.3 Ų47.363%0.63130%0.297SS*.G310 helixtrans-77.8-21.4178.8-65.8-29000112.2Q282 V283 G284 A288Q282-D286 HydrophobicContact CB-CB 4.18Å; Q282-D286 PolarHBondContact NE2-O 3.17Å; Q282-D286 VanDerWaalsContact NE2-O 3.15Å; Q282-D286 PolarHBondContact OE1-O 2.66Å; V283-D286 PolarHBondContact O-N 3.01Å; V283-D286 VanDerWaalsContact O-N 3.14Å; G284-D286 PolarHBondContact O-N 3.22Å; D286-A288 VanDerWaalsContact C-N 3.35Å; D286-A288 PolarHBondContact O-N 3.11Å
287D91.6Very high93Very high12 Ų1246.5 Ų46.56%0.06429%0.29CS..  trans-94.958.3173.9-170.828.6000110.8R277 Q282 G284 A285 D289 G290 I291 D292 M293R277-D287 IonicContact NH2-OD1 3.18Å; R277-D287 PolarHBondContact NH2-OD1 3.29Å; Q282-D287 HydrophobicContact CB-CB 3.98Å; G284-D287 PolarHBondContact O-N 3Å; A285-D287 VanDerWaalsContact C-N 3.35Å; D287-D289 PolarHBondContact O-N 3.36Å; D287-D289 VanDerWaalsContact O-N 3.11Å; D287-G290 PolarHBondContact O-N 3.27Å; D287-G290 WeakPolarHBondContact OD2-CA 3.21Å; D287-I291 PolarHBondContact OD1-N 3.27Å; D287-D292 PolarHBondContact OD1-N 3.11Å; D287-D292 VanDerWaalsContact OD1-N 3.12Å; D287-D292 PolarHBondContact OD2-N 3.05Å; D287-M293 WeakPolarHBondContact OD2-CB 3.48Å; D287-M293 PolarHBondContact OD2-N 2.94Å
288A88Confident93.1Very high98 Ų9844.1 Ų44.181%0.8128%0.281SS*.THydrogen-bonded Turntrans-59.7-26-170.700000114.8D286D286-A288 VanDerWaalsContact C-N 3.35Å; D286-A288 PolarHBondContact O-N 3.11Å
289D89.1Confident93.3Very high74 Ų7440.7 Ų40.740%0.39626%0.258SS..THydrogen-bonded Turntrans-92.1-10.1175.759.315.9000113.3R277 D287 I291R277-D289 IonicContact CZ-OD1 3.96Å; R277-D289 IonicContact CZ-OD2 2.95Å; R277-D289 IonicContact NE-OD1 3.79Å; R277-D289 IonicContact NE-OD2 2.7Å; R277-D289 PolarHBondContact NE-OD2 3.05Å; R277-D289 IonicContact NH2-OD1 2.67Å; R277-D289 PolarHBondContact NH2-OD1 2.96Å; R277-D289 IonicContact NH2-OD2 3.78Å; R277-D289 PolarHBondContact NH2-OD2 3.32Å; D287-D289 PolarHBondContact O-N 3.36Å; D287-D289 VanDerWaalsContact O-N 3.11Å; D289-I291 HydrophobicContact CB-CD1 4.32Å; D289-I291 HydrophobicContact CB-CG1 4.18Å; D289-I291 PolarHBondContact O-N 3.11Å; D289-I291 WeakPolarHBondContact OD1-CB 3.44Å; D289-I291 PolarHBondContact OD1-N 3.24Å; D289-I291 VanDerWaalsContact OD1-N 3.09Å; D289-I291 WeakPolarHBondContact OD2-CD1 3.36Å
290G91.5Very high93.4Very high13 Ų1338.7 Ų38.713%0.13425%0.25CS..SBendtrans68.715.1-178.300000114D287 A294D287-G290 PolarHBondContact O-N 3.27Å; D287-G290 WeakPolarHBondContact OD2-CA 3.21Å; G290-A294 PolarHBondContact O-N 3.39Å
291I95.1Very high93.5Very high25 Ų2532.2 Ų32.213%0.12822%0.222CC..Hα-helixtrans-72.8-41.1-176.5-72.1-179.6000110.2R277 D287 D289 M293 A294 Y295 L339R277-I291 HydrophobicContact CG-CD1 3.98Å; R277-I291 HydrophobicContact CG-CG2 4.08Å; D287-I291 PolarHBondContact OD1-N 3.27Å; D289-I291 HydrophobicContact CB-CD1 4.32Å; D289-I291 HydrophobicContact CB-CG1 4.18Å; D289-I291 PolarHBondContact O-N 3.11Å; D289-I291 WeakPolarHBondContact OD1-CB 3.44Å; D289-I291 PolarHBondContact OD1-N 3.24Å; D289-I291 VanDerWaalsContact OD1-N 3.09Å; D289-I291 WeakPolarHBondContact OD2-CD1 3.36Å; I291-M293 VanDerWaalsContact C-N 3.33Å; I291-M293 PolarHBondContact O-N 3.44Å; I291-A294 WeakPolarHBondContact O-CB 3.44Å; I291-A294 PolarHBondContact O-N 3.48Å; I291-A294 VanDerWaalsContact O-N 3.07Å; I291-Y295 HydrophobicContact CG2-CD2 3.72Å; I291-Y295 HydrophobicContact CG2-CE2 3.5Å; I291-Y295 VanDerWaalsContact CG2-CE2 3.5Å; I291-Y295 VanDerWaalsContact O-CD2 3.25Å; I291-Y295 WeakPolarHBondContact O-CD2 3.36Å; I291-Y295 PolarHBondContact O-N 3.12Å; I291-L339 HydrophobicContact CG2-CD2 3.99Å
292D95.8Very high93.8Very high0 Ų031 Ų310%021%0.209CC..Hα-helixtrans-68.1-37.5-178-75.914.8000111R277 Y279 K280 G281 Q282 D287 A294 Y295 R296R277-D292 IonicContact CZ-OD1 3.92Å; R277-D292 IonicContact NH1-OD1 2.89Å; R277-D292 PolarHBondContact NH1-OD1 3.04Å; R277-D292 IonicContact NH2-OD1 3Å; R277-D292 PolarHBondContact NH2-OD1 3.41Å; Y279-D292 HydrophobicContact CD2-CB 3.84Å; Y279-D292 HydrophobicContact CE2-CB 3.65Å; K280-D292 VanDerWaalsContact C-OD2 3.24Å; K280-D292 VanDerWaalsContact CA-OD2 3.3Å; K280-D292 WeakPolarHBondContact CA-OD2 3.41Å; K280-D292 WeakPolarHBondContact CB-OD2 3.41Å; K280-D292 PolarHBondContact N-OD1 2.92Å; K280-D292 PolarHBondContact N-OD2 2.67Å; G281-D292 PolarHBondContact N-OD2 3.36Å; Q282-D292 PolarHBondContact N-OD2 3.37Å; Q282-D292 WeakPolarHBondContact O-CB 3.46Å; D287-D292 PolarHBondContact OD1-N 3.11Å; D287-D292 VanDerWaalsContact OD1-N 3.12Å; D287-D292 PolarHBondContact OD2-N 3.05Å; D292-A294 VanDerWaalsContact C-N 3.32Å; D292-A294 PolarHBondContact O-N 2.86Å; D292-Y295 WeakPolarHBondContact O-CB 3.33Å; D292-Y295 PolarHBondContact O-N 3.49Å; D292-R296 PolarHBondContact O-N 3.11Å; D292-R296 VanDerWaalsContact O-N 3.14Å
293M94.4Very high94Very high30 Ų3027.9 Ų27.915%0.14820%0.195CC..Hα-helixtrans-57.6-44.6168.5177.3179.7-179.500111.7G89 K90 D287 I291 Y295 R296 V297 Y334G89-M293 WeakPolarHBondContact O-CG 3.24Å; K90-M293 HydrophobicContact CG-CE 4.07Å; D287-M293 WeakPolarHBondContact OD2-CB 3.48Å; D287-M293 PolarHBondContact OD2-N 2.94Å; I291-M293 VanDerWaalsContact C-N 3.33Å; I291-M293 PolarHBondContact O-N 3.44Å; M293-Y295 PolarHBondContact O-N 3.4Å; M293-R296 PolarHBondContact O-N 3.07Å; M293-V297 HydrophobicContact CE-CG2 4.46Å; M293-V297 HydrophobicContact CG-CG2 4.29Å; M293-V297 VanDerWaalsContact O-CG2 3.3Å; M293-V297 WeakPolarHBondContact O-CG2 3.19Å; M293-V297 PolarHBondContact O-N 3.47Å; M293-Y334 HydrophobicContact CE-CE1 3.94Å; M293-Y334 WeakPolarHBondContact CE-OH 3.3Å; M293-Y334 HydrophobicContact CG-CE1 4.21Å; M293-Y334 HydrophobicContact SD-CE1 4.04Å
294A95.1Very high94.3Very high0 Ų025.5 Ų25.50%018%0.181CC..Hα-helixtrans-63-41.2179.100000112.1G290 I291 D292 R296 V297 L298 Y334 K338 L339G290-A294 PolarHBondContact O-N 3.39Å; I291-A294 WeakPolarHBondContact O-CB 3.44Å; I291-A294 PolarHBondContact O-N 3.48Å; I291-A294 VanDerWaalsContact O-N 3.07Å; D292-A294 VanDerWaalsContact C-N 3.32Å; D292-A294 PolarHBondContact O-N 2.86Å; A294-R296 PolarHBondContact O-N 3.29Å; A294-V297 PolarHBondContact O-N 2.91Å; A294-L298 WeakPolarHBondContact O-CB 3.47Å; A294-L298 WeakPolarHBondContact O-CD1 3.46Å; A294-L298 PolarHBondContact O-N 3.31Å; A294-Y334 HydrophobicContact CB-CD1 3.88Å; A294-K338 HydrophobicContact CB-CB 3.86Å; A294-L339 HydrophobicContact CB-CD1 3.89Å; A294-L339 HydrophobicContact CB-CD2 3.96Å; A294-L339 HydrophobicContact CB-CG 3.75Å
295Y97.6Very high94.8Very high1 Ų122.6 Ų22.60%0.00415%0.15CC..Hα-helixtrans-55.7-51.3173.1-87.1-82.9000111.5F267 I270 Q271 A276 R277 Y279 I291 D292 M293 L298 A299 L339F267-Y295 HydrophobicContact CB-CD1 3.98Å; F267-Y295 HydrophobicContact CB-CE1 4.27Å; F267-Y295 AromaticContact CD1-CD1 3.75Å; F267-Y295 HydrophobicContact CD1-CD1 3.75Å; F267-Y295 HydrophobicContact CD1-CG 4.32Å; F267-Y295 HydrophobicContact CE1-CD1 4.5Å; F267-Y295 WeakPolarHBondContact CE1-O 3.31Å; F267-Y295 HydrophobicContact CG-CD1 4Å; F267-Y295 WeakPolarHBondContact O-CE1 3.49Å; I270-Y295 HydrophobicContact CB-CD1 3.82Å; I270-Y295 HydrophobicContact CB-CE1 3.6Å; I270-Y295 HydrophobicContact CD1-CD1 4.07Å; I270-Y295 HydrophobicContact CG2-CD1 3.6Å; I270-Y295 HydrophobicContact CG2-CE1 3.35Å; I270-Y295 HydrophobicContact CG2-CG 4.38Å; Q271-Y295 WeakPolarHBondContact CA-OH 3.37Å; Q271-Y295 HydrophobicContact CB-CE1 4.35Å; Q271-Y295 WeakPolarHBondContact CB-OH 3.25Å; A276-Y295 HydrophobicContact CB-CE2 4.37Å; R277-Y295 WeakPolarHBondContact O-CE2 3.32Å; R277-Y295 PolarHBondContact O-OH 2.78Å; Y279-Y295 HydrophobicContact CD2-CD2 4.22Å; Y279-Y295 HydrophobicContact CD2-CG 4.08Å; I291-Y295 HydrophobicContact CG2-CD2 3.72Å; I291-Y295 HydrophobicContact CG2-CE2 3.5Å; I291-Y295 VanDerWaalsContact CG2-CE2 3.5Å; I291-Y295 VanDerWaalsContact O-CD2 3.25Å; I291-Y295 WeakPolarHBondContact O-CD2 3.36Å; I291-Y295 PolarHBondContact O-N 3.12Å; D292-Y295 WeakPolarHBondContact O-CB 3.33Å; D292-Y295 PolarHBondContact O-N 3.49Å; M293-Y295 PolarHBondContact O-N 3.4Å; Y295-L298 PolarHBondContact O-N 2.96Å; Y295-A299 WeakPolarHBondContact O-CB 3.45Å; Y295-A299 PolarHBondContact O-N 3.45Å; Y295-L339 HydrophobicContact CD2-CD2 4.45Å; Y295-L339 HydrophobicContact CE2-CD2 4.3Å
296R97.3Very high95.2Very high2 Ų218 Ų181%0.00811%0.112CC..Hα-helixtrans-60.1-47.7179.8-69.3-174.3-69.7-90.2-0.7112.1G89 D91 Y258 F267 Y279 Q282 D292 M293 A294 A299 D300G89-R296 PolarHBondContact O-NE 2.81Å; G89-R296 PolarHBondContact O-NH2 3.48Å; D91-R296 PolarHBondContact O-NE 3.43Å; Y258-R296 HydrophobicContact CD1-CB 4.02Å; Y258-R296 HydrophobicContact CD1-CG 3.73Å; Y258-R296 VanDerWaalsContact CD2-CD 3.44Å; Y258-R296 HydrophobicContact CD2-CG 3.85Å; Y258-R296 HydrophobicContact CE1-CB 3.77Å; Y258-R296 HydrophobicContact CE1-CG 3.97Å; Y258-R296 HydrophobicContact CE2-CB 4.36Å; Y258-R296 HydrophobicContact CE2-CG 4.12Å; Y258-R296 HydrophobicContact CG-CB 4.39Å; Y258-R296 HydrophobicContact CG-CG 3.65Å; F267-R296 HydrophobicContact CZ-CG 4.3Å; Y279-R296 HydrophobicContact CE2-CG 4.07Å; Y279-R296 PolarHBondContact OH-NH1 3.03Å; Y279-R296 VanDerWaalsContact OH-NH1 3.09Å; Q282-R296 PolarHBondContact O-NH1 2.88Å; Q282-R296 PolarHBondContact O-NH2 3.37Å; D292-R296 PolarHBondContact O-N 3.11Å; D292-R296 VanDerWaalsContact O-N 3.14Å; M293-R296 PolarHBondContact O-N 3.07Å; A294-R296 PolarHBondContact O-N 3.29Å; R296-A299 PolarHBondContact O-N 3.4Å; R296-D300 WeakPolarHBondContact O-CB 3.37Å; R296-D300 PolarHBondContact O-N 3.15Å
297V95.6Very high95.5Very high0 Ų012.4 Ų12.40%08%0.082CC..Hα-helixtrans-60.5-47.3178.9171.60000111.3M293 A294 H301 R330 Y334M293-V297 HydrophobicContact CE-CG2 4.46Å; M293-V297 HydrophobicContact CG-CG2 4.29Å; M293-V297 VanDerWaalsContact O-CG2 3.3Å; M293-V297 WeakPolarHBondContact O-CG2 3.19Å; M293-V297 PolarHBondContact O-N 3.47Å; A294-V297 PolarHBondContact O-N 2.91Å; V297-H301 WeakPolarHBondContact O-CB 3.31Å; V297-H301 VanDerWaalsContact O-CG 3.27Å; V297-H301 PolarHBondContact O-N 3.48Å; V297-R330 HydrophobicContact CG1-CG 4.33Å; V297-Y334 HydrophobicContact CG1-CD2 4.03Å; V297-Y334 HydrophobicContact CG1-CG 4.28Å
298L97.4Very high95.6Very high0 Ų011.8 Ų11.80%08%0.079CC..Hα-helixtrans-64.4-45.1-178.7-93.969.2000111.7I270 A294 Y295 A302 L339 F345 F346 L349I270-L298 HydrophobicContact CD1-CB 3.67Å; I270-L298 HydrophobicContact CD1-CD2 4.29Å; I270-L298 HydrophobicContact CG1-CB 4.47Å; I270-L298 HydrophobicContact CG1-CD2 4.28Å; I270-L298 HydrophobicContact CG2-CD2 4.46Å; A294-L298 WeakPolarHBondContact O-CB 3.47Å; A294-L298 WeakPolarHBondContact O-CD1 3.46Å; A294-L298 PolarHBondContact O-N 3.31Å; Y295-L298 PolarHBondContact O-N 2.96Å; L298-A302 WeakPolarHBondContact O-CB 3.16Å; L298-A302 PolarHBondContact O-N 3.29Å; L298-L339 HydrophobicContact CD1-CD1 4.13Å; L298-L339 HydrophobicContact CD2-CD1 3.56Å; L298-L339 HydrophobicContact CG-CD1 4.41Å; L298-F345 HydrophobicContact CD2-CE1 4.21Å; L298-F346 HydrophobicContact CG-CD2 4.2Å; L298-F346 HydrophobicContact CG-CE2 4.36Å; L298-L349 HydrophobicContact CB-CD1 4.25Å; L298-L349 HydrophobicContact CD2-CD1 4.4Å
299A97.7Very high95.7Very high0 Ų07.2 Ų7.20%04%0.041CC..Hα-helixtrans-65.8-45.9-178.400000112F263 Y266 F267 Y295 R296 R303F263-A299 HydrophobicContact CD1-CB 3.9Å; F263-A299 HydrophobicContact CE1-CB 4.46Å; Y266-A299 HydrophobicContact CD1-CB 4.5Å; Y266-A299 HydrophobicContact CG-CB 4.04Å; F267-A299 HydrophobicContact CD1-CB 4.16Å; F267-A299 HydrophobicContact CE1-CB 3.68Å; Y295-A299 WeakPolarHBondContact O-CB 3.45Å; Y295-A299 PolarHBondContact O-N 3.45Å; R296-A299 PolarHBondContact O-N 3.4Å; A299-R303 WeakPolarHBondContact O-CG 3.32Å; A299-R303 PolarHBondContact O-N 3.41Å
300D97.6Very high95.8Very high0 Ų05.4 Ų5.40%03%0.034CC..Hα-helixtrans-61.8-54.4176.2174.785.5000111.5V88 H95 T96 R296 A302 R303 T304V88-D300 HydrophobicContact CG1-CB 3.84Å; V88-D300 WeakPolarHBondContact CG1-OD2 3.13Å; H95-D300 WeakPolarHBondContact CA-OD1 3.38Å; H95-D300 VanDerWaalsContact CB-OD1 3.29Å; H95-D300 WeakPolarHBondContact CB-OD1 3.4Å; H95-D300 IonicContact CG-OD1 3.49Å; H95-D300 IonicContact ND1-OD1 2.76Å; T96-D300 WeakPolarHBondContact CB-OD2 3.4Å; T96-D300 PolarHBondContact N-OD1 3.47Å; T96-D300 PolarHBondContact N-OD2 3.18Å; T96-D300 PolarHBondContact OG1-OD2 3.19Å; R296-D300 WeakPolarHBondContact O-CB 3.37Å; R296-D300 PolarHBondContact O-N 3.15Å; D300-A302 VanDerWaalsContact C-N 3.29Å; D300-A302 PolarHBondContact O-N 3.04Å; D300-R303 WeakPolarHBondContact O-CB 3.37Å; D300-R303 PolarHBondContact O-N 3.48Å; D300-R303 VanDerWaalsContact O-N 3.08Å; D300-T304 PolarHBondContact O-N 3Å; D300-T304 PolarHBondContact O-OG1 3.26Å; D300-T304 VanDerWaalsContact O-OG1 3.12Å
301H97.2Very high95.7Very high0 Ų05.8 Ų5.80%03%0.033CC..Hα-helixtrans-68.3-28.6-175.5-68.46.9000112.6V297 T304 I305 I327 A331 F346V297-H301 WeakPolarHBondContact O-CB 3.31Å; V297-H301 VanDerWaalsContact O-CG 3.27Å; V297-H301 PolarHBondContact O-N 3.48Å; H301-T304 PolarHBondContact O-N 2.88Å; H301-I305 WeakPolarHBondContact O-CB 3.47Å; H301-I305 VanDerWaalsContact O-CG1 3.27Å; H301-I305 WeakPolarHBondContact O-CG1 3.01Å; H301-I305 PolarHBondContact O-N 3.5Å; H301-I327 HydrophobicContact CB-CG2 3.72Å; H301-I327 PolarHBondContact CD2-O 2.89Å; H301-I327 VanDerWaalsContact CD2-O 3.28Å; H301-A331 HydrophobicContact CB-CB 3.74Å; H301-F346 HydrophobicContact CB-CZ 4.38Å
302A98Very high95Very high2 Ų25.9 Ų5.92%0.0174%0.04CC..Hα-helixtrans-61.8-44.3171.600000111.1L298 D300 T306 F346 L349 V353L298-A302 WeakPolarHBondContact O-CB 3.16Å; L298-A302 PolarHBondContact O-N 3.29Å; D300-A302 VanDerWaalsContact C-N 3.29Å; D300-A302 PolarHBondContact O-N 3.04Å; A302-T306 WeakPolarHBondContact O-CB 3.42Å; A302-T306 PolarHBondContact O-N 2.96Å; A302-T306 PolarHBondContact O-OG1 3.06Å; A302-F346 HydrophobicContact CB-CE2 3.97Å; A302-F346 HydrophobicContact CB-CZ 4.07Å; A302-L349 HydrophobicContact CB-CB 3.8Å; A302-L349 HydrophobicContact CB-CD1 4.1Å; A302-V353 HydrophobicContact CB-CG2 4.22Å
303R97.9Very high94.3Very high1 Ų16.1 Ų6.10%0.0044%0.042CC..Hα-helixtrans-59.7-51.4174.7-66.7171.971.4-161.1-1.4110.6F97 E245 Y266 A299 D300 T306 L307 V353 L357F97-R303 HydrophobicContact CD1-CB 3.75Å; F97-R303 HydrophobicContact CE1-CB 4.41Å; E245-R303 IonicContact OE1-CZ 2.97Å; E245-R303 IonicContact OE1-NH1 3.57Å; E245-R303 PolarHBondContact OE1-NH1 2.88Å; E245-R303 IonicContact OE1-NH2 2.69Å; E245-R303 PolarHBondContact OE1-NH2 3.29Å; Y266-R303 HydrophobicContact CE1-CG 4.11Å; Y266-R303 HydrophobicContact CE2-CG 4.4Å; Y266-R303 WeakPolarHBondContact OH-CG 3.47Å; A299-R303 WeakPolarHBondContact O-CG 3.32Å; A299-R303 PolarHBondContact O-N 3.41Å; D300-R303 WeakPolarHBondContact O-CB 3.37Å; D300-R303 PolarHBondContact O-N 3.48Å; D300-R303 VanDerWaalsContact O-N 3.08Å; R303-T306 PolarHBondContact O-N 3.39Å; R303-L307 WeakPolarHBondContact O-CB 3.38Å; R303-L307 PolarHBondContact O-N 3.02Å; R303-V353 HydrophobicContact CG-CG2 4.35Å; R303-L357 HydrophobicContact CG-CD1 4.42Å
304T97.4Very high93.7Very high0 Ų07 Ų70%04%0.044CC..Hα-helixtrans-60.3-50.9-177.7-49.60000113I76 T96 F97 D300 H301 A308 I327I76-T304 HydrophobicContact CD1-CG2 3.95Å; I76-T304 HydrophobicContact CG1-CG2 4.16Å; I76-T304 HydrophobicContact CG2-CG2 4.11Å; T96-T304 WeakPolarHBondContact OG1-CB 3.4Å; T96-T304 PolarHBondContact OG1-OG1 3.31Å; F97-T304 HydrophobicContact CB-CG2 4.15Å; F97-T304 WeakPolarHBondContact CB-OG1 3.25Å; F97-T304 PolarHBondContact N-OG1 3.2Å; D300-T304 PolarHBondContact O-N 3Å; D300-T304 PolarHBondContact O-OG1 3.26Å; D300-T304 VanDerWaalsContact O-OG1 3.12Å; H301-T304 PolarHBondContact O-N 2.88Å; T304-A308 VanDerWaalsContact O-CB 3.31Å; T304-A308 WeakPolarHBondContact O-CB 3.5Å; T304-A308 PolarHBondContact O-N 3.14Å; T304-I327 HydrophobicContact CG2-CD1 3.9Å
305I97.4Very high92.8Very high1 Ų17.2 Ų7.21%0.0055%0.046CC..Hα-helixtrans-65.8-43.9-178.3-67.6-61.4000110.6H301 L307 A308 L309 L324 I327 L328 I375H301-I305 WeakPolarHBondContact O-CB 3.47Å; H301-I305 VanDerWaalsContact O-CG1 3.27Å; H301-I305 WeakPolarHBondContact O-CG1 3.01Å; H301-I305 PolarHBondContact O-N 3.5Å; I305-L307 PolarHBondContact O-N 3.46Å; I305-A308 PolarHBondContact O-N 3.05Å; I305-L309 HydrophobicContact CG2-CD1 3.53Å; I305-L309 HydrophobicContact CG2-CG 3.98Å; I305-L309 VanDerWaalsContact O-CB 3.3Å; I305-L309 WeakPolarHBondContact O-CB 3.34Å; I305-L309 WeakPolarHBondContact O-CG 3.4Å; I305-L309 PolarHBondContact O-N 2.94Å; I305-L324 HydrophobicContact CD1-CB 4.44Å; I305-L324 HydrophobicContact CD1-CD2 4.45Å; I305-L324 VanDerWaalsContact CD1-O 3.31Å; I305-L324 WeakPolarHBondContact CD1-O 3.18Å; I305-I327 HydrophobicContact CD1-CB 3.93Å; I305-I327 HydrophobicContact CD1-CG2 3.78Å; I305-I327 HydrophobicContact CG1-CB 4.49Å; I305-I327 HydrophobicContact CG1-CG2 3.83Å; I305-L328 HydrophobicContact CD1-CB 3.9Å; I305-L328 HydrophobicContact CG1-CB 4.22Å; I305-I375 HydrophobicContact CG2-CD1 3.82Å; I305-I375 HydrophobicContact CG2-CG1 3.85Å
306T97.8Very high91.4Very high1 Ų19.8 Ų9.81%0.0066%0.059CC..Hα-helixtrans-62.2-44.9-178.7-57.50000111.4A302 R303 S310 V350 V353 L364 V371A302-T306 WeakPolarHBondContact O-CB 3.42Å; A302-T306 PolarHBondContact O-N 2.96Å; A302-T306 PolarHBondContact O-OG1 3.06Å; R303-T306 PolarHBondContact O-N 3.39Å; T306-S310 VanDerWaalsContact O-CB 3.29Å; T306-S310 WeakPolarHBondContact O-CB 3.33Å; T306-S310 PolarHBondContact O-N 2.85Å; T306-S310 PolarHBondContact O-OG 3.22Å; T306-V350 HydrophobicContact CG2-CG1 3.98Å; T306-V353 HydrophobicContact CG2-CB 3.89Å; T306-V353 HydrophobicContact CG2-CG1 3.72Å; T306-V353 HydrophobicContact CG2-CG2 4.44Å; T306-L364 HydrophobicContact CG2-CD2 3.97Å; T306-V371 HydrophobicContact CG2-CG1 4.44Å
307L96.1Very high89.5Confident0 Ų014.7 Ų14.70%09%0.086CC..Hα-helixtrans-64.3-51.9176.6-82.6162.8000112.2K74 F97 R303 I305 L309 S310 D311 L357 F361 L364K74-L307 HydrophobicContact CD-CD2 3.38Å; K74-L307 HydrophobicContact CG-CD2 4.16Å; F97-L307 HydrophobicContact CD1-CD1 3.71Å; F97-L307 HydrophobicContact CD2-CD1 3.59Å; F97-L307 HydrophobicContact CE1-CD1 3.31Å; F97-L307 HydrophobicContact CE2-CD1 3.22Å; F97-L307 HydrophobicContact CG-CD1 3.83Å; F97-L307 HydrophobicContact CZ-CD1 3.07Å; R303-L307 WeakPolarHBondContact O-CB 3.38Å; R303-L307 PolarHBondContact O-N 3.02Å; I305-L307 PolarHBondContact O-N 3.46Å; L307-L309 VanDerWaalsContact C-N 3.31Å; L307-L309 PolarHBondContact O-N 3.29Å; L307-S310 PolarHBondContact O-N 3.33Å; L307-D311 WeakPolarHBondContact O-CB 3.26Å; L307-D311 PolarHBondContact O-N 3.09Å; L307-L357 HydrophobicContact CD1-CD1 4.06Å; L307-F361 HydrophobicContact CD2-CB 4.37Å; L307-F361 HydrophobicContact CD2-CD2 4.15Å; L307-F361 HydrophobicContact CD2-CG 4.33Å; L307-L364 HydrophobicContact CD2-CD1 4.03Å; L307-L364 HydrophobicContact CD2-CD2 3.74Å; L307-L364 HydrophobicContact CD2-CG 4.07Å; L307-L364 HydrophobicContact CG-CD2 4.13Å
308A93.8Very high87.5Confident0 Ų019.5 Ų19.50%012%0.115CC..Hα-helixtrans-61.8-38.4-177.500000112.7I76 T304 I305 D311 G313 L324I76-A308 HydrophobicContact CD1-CB 3.93Å; T304-A308 VanDerWaalsContact O-CB 3.31Å; T304-A308 WeakPolarHBondContact O-CB 3.5Å; T304-A308 PolarHBondContact O-N 3.14Å; I305-A308 PolarHBondContact O-N 3.05Å; A308-D311 PolarHBondContact O-N 3.01Å; A308-G313 VanDerWaalsContact O-CA 3.23Å; A308-G313 WeakPolarHBondContact O-CA 3.4Å; A308-G313 PolarHBondContact O-N 3.42Å; A308-L324 HydrophobicContact CB-CD1 4Å; A308-L324 HydrophobicContact CB-CD2 3.46Å; A308-L324 VanDerWaalsContact CB-CD2 3.46Å; A308-L324 HydrophobicContact CB-CG 4.39Å
309L89.4Confident86.1Confident1 Ų121.7 Ų21.71%0.00514%0.138CC..Hα-helixtrans-72.1-36.9177.5-65.3-176.3000112.3I305 L307 D311 G312 G313 R314 P315 V371 I374 I375I305-L309 HydrophobicContact CG2-CD1 3.53Å; I305-L309 HydrophobicContact CG2-CG 3.98Å; I305-L309 VanDerWaalsContact O-CB 3.3Å; I305-L309 WeakPolarHBondContact O-CB 3.34Å; I305-L309 WeakPolarHBondContact O-CG 3.4Å; I305-L309 PolarHBondContact O-N 2.94Å; L307-L309 VanDerWaalsContact C-N 3.31Å; L307-L309 PolarHBondContact O-N 3.29Å; L309-D311 VanDerWaalsContact C-N 3.28Å; L309-G312 PolarHBondContact O-N 3.4Å; L309-G313 WeakPolarHBondContact CD2-O 3.49Å; L309-R314 PolarHBondContact O-NH1 3.21Å; L309-P315 HydrophobicContact CD2-CG 4.29Å; L309-V371 HydrophobicContact CB-CG1 4.07Å; L309-V371 HydrophobicContact CB-CG2 4.19Å; L309-V371 HydrophobicContact CD1-CG1 3.91Å; L309-I374 HydrophobicContact CD1-CB 4.26Å; L309-I374 HydrophobicContact CD1-CG2 3.88Å; L309-I374 HydrophobicContact CD2-CG2 4.21Å; L309-I375 HydrophobicContact CD1-CD1 4.46Å; L309-I375 HydrophobicContact CD1-CG1 3.97Å
310S91Very high85.1Confident36 Ų3625.1 Ų25.125%0.25215%0.151SC..Hα-helixtrans-65.8-34.7174.6-57.70000111.6T306 L307 G312 L364T306-S310 VanDerWaalsContact O-CB 3.29Å; T306-S310 WeakPolarHBondContact O-CB 3.33Å; T306-S310 PolarHBondContact O-N 2.85Å; T306-S310 PolarHBondContact O-OG 3.22Å; L307-S310 PolarHBondContact O-N 3.33Å; S310-G312 PolarHBondContact O-N 3.31Å; S310-L364 VanDerWaalsContact OG-CD2 3.32Å; S310-L364 WeakPolarHBondContact OG-CD2 3.48Å
311D89.3Confident84Confident22 Ų2225.4 Ų25.412%0.11815%0.153CC..THydrogen-bonded Turntrans-76.69.8174-79.7-10.1000114S30 T31 K74 L307 A308 L309S30-D311 WeakPolarHBondContact OG-CB 3.22Å; T31-D311 WeakPolarHBondContact CB-OD2 3.38Å; T31-D311 WeakPolarHBondContact CG2-OD2 3.19Å; T31-D311 PolarHBondContact N-OD2 2.99Å; T31-D311 WeakPolarHBondContact OG1-CB 3.41Å; T31-D311 PolarHBondContact OG1-OD2 3.3Å; K74-D311 VanDerWaalsContact NZ-CG 3.26Å; K74-D311 IonicContact NZ-OD1 2.63Å; K74-D311 PolarHBondContact NZ-OD1 3Å; K74-D311 IonicContact NZ-OD2 3.57Å; K74-D311 PolarHBondContact NZ-OD2 2.88Å; L307-D311 WeakPolarHBondContact O-CB 3.26Å; L307-D311 PolarHBondContact O-N 3.09Å; A308-D311 PolarHBondContact O-N 3.01Å; L309-D311 VanDerWaalsContact C-N 3.28Å
312G80.8Confident82.9Confident27 Ų2728.1 Ų28.128%0.27816%0.164SC..THydrogen-bonded Turntrans91-0.6175.800000115.4L309 S310L309-G312 PolarHBondContact O-N 3.4Å; S310-G312 PolarHBondContact O-N 3.31Å
313G81.6Confident82Confident4 Ų428.7 Ų28.74%0.04117%0.167CC..  trans-64.1147.3174.800000112.2A308 L309A308-G313 VanDerWaalsContact O-CA 3.23Å; A308-G313 WeakPolarHBondContact O-CA 3.4Å; A308-G313 PolarHBondContact O-N 3.42Å; L309-G313 WeakPolarHBondContact CD2-O 3.49Å
314R81.6Confident81.4Confident48 Ų4828.6 Ų28.618%0.18117%0.167CC..  trans-137.7141.4177.4-63.8-65.4178.6-97.77.1110.6L309 D316 G321 M370L309-R314 PolarHBondContact O-NH1 3.21Å; R314-D316 PolarHBondContact O-N 2.88Å; R314-G321 WeakPolarHBondContact O-CA 3.3Å; R314-M370 PolarHBondContact NH2-SD 3.48Å
315P77.4Confident80.7Confident6 Ų629.8 Ų29.84%0.03917%0.171CC..  trans-64.2130.2173.9-22.236.7000111L309 G321 R325 L328 I374 E378L309-P315 HydrophobicContact CD2-CG 4.29Å; P315-G321 WeakPolarHBondContact CA-O 3.44Å; P315-R325 HydrophobicContact CB-CB 3.95Å; P315-R325 PolarHBondContact O-NH2 2.78Å; P315-L328 HydrophobicContact CG-CD2 4.45Å; P315-I374 HydrophobicContact CG-CG2 4.14Å; P315-E378 HydrophobicContact CB-CG 3.92Å; P315-E378 HydrophobicContact CG-CG 3.88Å
316D67.3Low80Confident54 Ų5432 Ų3229%0.28918%0.179SC..  trans-145.5179.8-177.5-154.2-13.2000111.4R314 G321 Y322 R325R314-D316 PolarHBondContact O-N 2.88Å; D316-G321 PolarHBondContact N-O 3.48Å; D316-G321 CarbonylContact O-C 3.58Å; D316-Y322 WeakPolarHBondContact O-CA 3.28Å; D316-Y322 PolarHBondContact O-N 3.39Å; D316-R325 VanDerWaalsContact C-NH1 3.31Å; D316-R325 VanDerWaalsContact O-CZ 3.28Å; D316-R325 PolarHBondContact O-NE 2.91Å; D316-R325 PolarHBondContact O-NH1 2.91Å
317N56.4Low79.6Confident106 Ų10631.9 Ų31.957%0.56718%0.179SC*.SBendtrans-86.9-13.5177.8-67.5-56.1000113.4R325N317-R325 PolarHBondContact OD1-NH1 3.48Å
318T55.3Low79.3Confident100 Ų10032 Ų3261%0.61318%0.179SC*.SBendtrans-135.6163.1-175.362.30000112.4G321 Y322T318-G321 PolarHBondContact O-N 3.09Å; T318-Y322 PolarHBondContact O-N 2.98Å
319G67.7Low78.9Confident46 Ų4633.4 Ų33.447%0.47419%0.185SC..Hα-helixtrans53.7-139.1173.200000114G321 Y322 V323G319-G321 VanDerWaalsContact C-N 3.3Å; G319-G321 PolarHBondContact O-N 2.92Å; G319-Y322 WeakPolarHBondContact O-CB 3.48Å; G319-Y322 PolarHBondContact O-N 3.48Å; G319-V323 PolarHBondContact O-N 3Å
320R77.3Confident78.8Confident73 Ų7333.5 Ų33.528%0.27519%0.185SC..Hα-helixtrans-65-33-179.569.4-170.978.9-165.85.4112.8P33 L40 F41 Y322 V323 L324P33-R320 PolarHBondContact O-NH1 3.42Å; L40-R320 HydrophobicContact CB-CB 4.24Å; L40-R320 HydrophobicContact CD2-CB 4.25Å; L40-R320 PolarHBondContact O-NH1 2.81Å; F41-R320 HydrophobicContact CE1-CB 4.12Å; F41-R320 HydrophobicContact CE2-CB 4.23Å; F41-R320 HydrophobicContact CZ-CB 3.78Å; R320-Y322 VanDerWaalsContact C-N 3.29Å; R320-Y322 PolarHBondContact O-N 2.95Å; R320-V323 PolarHBondContact O-N 3.28Å; R320-V323 VanDerWaalsContact O-N 3.14Å; R320-L324 PolarHBondContact O-N 3.31Å; R320-L324 VanDerWaalsContact O-N 3.07Å
321G74Confident78.8Confident5 Ų531.8 Ų31.85%0.05217%0.173CC..Hα-helixtrans-64.6-34.1176.800000112.8R314 P315 D316 T318 G319 L324 R325R314-G321 WeakPolarHBondContact O-CA 3.3Å; P315-G321 WeakPolarHBondContact CA-O 3.44Å; D316-G321 PolarHBondContact N-O 3.48Å; D316-G321 CarbonylContact O-C 3.58Å; T318-G321 PolarHBondContact O-N 3.09Å; G319-G321 VanDerWaalsContact C-N 3.3Å; G319-G321 PolarHBondContact O-N 2.92Å; G321-L324 PolarHBondContact O-N 3.49Å; G321-R325 WeakPolarHBondContact O-CB 3.43Å; G321-R325 PolarHBondContact O-N 2.96Å
322Y73.1Confident78.9Confident58 Ų5830.8 Ų30.823%0.22717%0.168CC..Hα-helixtrans-61.3-43.5171.4177.5-100.1000112.3D316 T318 G319 R320 R325 R326 Y415D316-Y322 WeakPolarHBondContact O-CA 3.28Å; D316-Y322 PolarHBondContact O-N 3.39Å; T318-Y322 PolarHBondContact O-N 2.98Å; G319-Y322 WeakPolarHBondContact O-CB 3.48Å; G319-Y322 PolarHBondContact O-N 3.48Å; R320-Y322 VanDerWaalsContact C-N 3.29Å; R320-Y322 PolarHBondContact O-N 2.95Å; Y322-R325 WeakPolarHBondContact O-CB 3.44Å; Y322-R325 PolarHBondContact O-N 3.37Å; Y322-R326 PolarHBondContact O-N 2.81Å; Y322-Y415 HydrophobicContact CE2-CE2 4.07Å
323V80.6Confident79.2Confident13 Ų1329.7 Ų29.78%0.07916%0.155CC..Hα-helixtrans-63.3-47177.8-179.10000111.2L40 F41 A78 G319 R320 R325 R326 I327L40-V323 HydrophobicContact CD1-CG2 4.1Å; F41-V323 HydrophobicContact CE2-CB 3.83Å; F41-V323 HydrophobicContact CE2-CG1 3.79Å; F41-V323 HydrophobicContact CE2-CG2 4.32Å; F41-V323 HydrophobicContact CZ-CB 4.18Å; F41-V323 HydrophobicContact CZ-CG1 4.35Å; A78-V323 HydrophobicContact CB-CG1 3.62Å; A78-V323 WeakPolarHBondContact O-CG1 3.33Å; G319-V323 PolarHBondContact O-N 3Å; R320-V323 PolarHBondContact O-N 3.28Å; R320-V323 VanDerWaalsContact O-N 3.14Å; V323-R325 VanDerWaalsContact C-N 3.27Å; V323-R325 PolarHBondContact O-N 3.18Å; V323-R326 WeakPolarHBondContact O-CA 3.42Å; V323-R326 VanDerWaalsContact O-CB 3.28Å; V323-R326 WeakPolarHBondContact O-CB 3.41Å; V323-R326 PolarHBondContact O-N 3.04Å; V323-I327 HydrophobicContact CG1-CD1 4.06Å; V323-I327 HydrophobicContact CG1-CG1 4.45Å; V323-I327 WeakPolarHBondContact O-CG1 3.36Å; V323-I327 PolarHBondContact O-N 3.02Å
324L85.4Confident79.7Confident0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-59.4-41.5177.3-64.5-177.2000111.6F41 I305 A308 R320 G321 R326 I327 L328F41-L324 HydrophobicContact CE1-CD1 4.43Å; F41-L324 HydrophobicContact CE1-CD2 3.76Å; F41-L324 HydrophobicContact CE1-CG 4.09Å; F41-L324 HydrophobicContact CZ-CD2 3.66Å; F41-L324 HydrophobicContact CZ-CG 3.85Å; I305-L324 HydrophobicContact CD1-CB 4.44Å; I305-L324 HydrophobicContact CD1-CD2 4.45Å; I305-L324 VanDerWaalsContact CD1-O 3.31Å; I305-L324 WeakPolarHBondContact CD1-O 3.18Å; A308-L324 HydrophobicContact CB-CD1 4Å; A308-L324 HydrophobicContact CB-CD2 3.46Å; A308-L324 VanDerWaalsContact CB-CD2 3.46Å; A308-L324 HydrophobicContact CB-CG 4.39Å; R320-L324 PolarHBondContact O-N 3.31Å; R320-L324 VanDerWaalsContact O-N 3.07Å; G321-L324 PolarHBondContact O-N 3.49Å; L324-R326 VanDerWaalsContact C-N 3.31Å; L324-R326 PolarHBondContact O-N 2.98Å; L324-I327 PolarHBondContact O-N 3.37Å; L324-L328 WeakPolarHBondContact O-CB 3.43Å; L324-L328 PolarHBondContact O-N 3.26Å
325R81.8Confident80.2Confident25 Ų2527.7 Ų27.79%0.09415%0.146CC..Hα-helixtrans-60.8-40.4174.3-176.9175.6-80.1168.87.1111.9P315 D316 N317 G321 Y322 V323 R329 E378P315-R325 HydrophobicContact CB-CB 3.95Å; P315-R325 PolarHBondContact O-NH2 2.78Å; D316-R325 VanDerWaalsContact C-NH1 3.31Å; D316-R325 VanDerWaalsContact O-CZ 3.28Å; D316-R325 PolarHBondContact O-NE 2.91Å; D316-R325 PolarHBondContact O-NH1 2.91Å; N317-R325 PolarHBondContact OD1-NH1 3.48Å; G321-R325 WeakPolarHBondContact O-CB 3.43Å; G321-R325 PolarHBondContact O-N 2.96Å; Y322-R325 WeakPolarHBondContact O-CB 3.44Å; Y322-R325 PolarHBondContact O-N 3.37Å; V323-R325 VanDerWaalsContact C-N 3.27Å; V323-R325 PolarHBondContact O-N 3.18Å; R325-R329 HydrophobicContact CG-CG 4.31Å; R325-R329 WeakPolarHBondContact O-CB 3.45Å; R325-R329 WeakPolarHBondContact O-CG 3.43Å; R325-R329 PolarHBondContact O-N 3.47Å; R325-E378 IonicContact CZ-OE2 2.67Å; R325-E378 IonicContact NE-OE2 2.68Å; R325-E378 PolarHBondContact NE-OE2 3.29Å; R325-E378 IonicContact NH2-OE2 3.44Å
326R81.9Confident80.8Confident46 Ų4629.3 Ų29.317%0.17415%0.153CC..Hα-helixtrans-61.6-51.3177.9-166.2-176161.5-164.6-5111.7L85 D86 Y322 V323 L324 L328 R329 R330 D423L85-R326 HydrophobicContact CD2-CG 4.12Å; D86-R326 IonicContact OD1-CZ 2.93Å; D86-R326 IonicContact OD1-NH2 2.7Å; D86-R326 PolarHBondContact OD1-NH2 3.18Å; D86-R326 IonicContact OD2-CZ 3.51Å; D86-R326 IonicContact OD2-NH2 3.76Å; D86-R326 PolarHBondContact OD2-NH2 3.02Å; Y322-R326 PolarHBondContact O-N 2.81Å; V323-R326 WeakPolarHBondContact O-CA 3.42Å; V323-R326 VanDerWaalsContact O-CB 3.28Å; V323-R326 WeakPolarHBondContact O-CB 3.41Å; V323-R326 PolarHBondContact O-N 3.04Å; L324-R326 VanDerWaalsContact C-N 3.31Å; L324-R326 PolarHBondContact O-N 2.98Å; R326-L328 PolarHBondContact O-N 2.83Å; R326-R329 PolarHBondContact O-N 3.22Å; R326-R330 WeakPolarHBondContact O-CB 2.89Å; R326-R330 PolarHBondContact O-N 3.42Å; R326-D423 WeakPolarHBondContact CD-OD2 3.46Å; R326-D423 WeakPolarHBondContact CG-OD2 3.3Å; R326-D423 IonicContact NE-OD1 3.99Å; R326-D423 IonicContact NE-OD2 2.87Å; R326-D423 PolarHBondContact NE-OD2 3.21Å; R326-D423 VanDerWaalsContact NE-OD2 3.09Å
327I89Confident81.7Confident0 Ų029.7 Ų29.70%015%0.153CC..Hα-helixtrans-57.5-49.6178-64.1171.8000110.4A78 L85 H301 T304 I305 V323 L324 R329 R330 A331A78-I327 HydrophobicContact CB-CD1 3.69Å; A78-I327 HydrophobicContact CB-CG1 4.45Å; L85-I327 HydrophobicContact CD1-CG1 3.92Å; L85-I327 HydrophobicContact CD2-CG1 4.19Å; H301-I327 HydrophobicContact CB-CG2 3.72Å; H301-I327 PolarHBondContact CD2-O 2.89Å; H301-I327 VanDerWaalsContact CD2-O 3.28Å; T304-I327 HydrophobicContact CG2-CD1 3.9Å; I305-I327 HydrophobicContact CD1-CB 3.93Å; I305-I327 HydrophobicContact CD1-CG2 3.78Å; I305-I327 HydrophobicContact CG1-CB 4.49Å; I305-I327 HydrophobicContact CG1-CG2 3.83Å; V323-I327 HydrophobicContact CG1-CD1 4.06Å; V323-I327 HydrophobicContact CG1-CG1 4.45Å; V323-I327 WeakPolarHBondContact O-CG1 3.36Å; V323-I327 PolarHBondContact O-N 3.02Å; L324-I327 PolarHBondContact O-N 3.37Å; I327-R329 PolarHBondContact O-N 2.87Å; I327-R330 PolarHBondContact O-N 3.18Å; I327-A331 PolarHBondContact O-N 3.49Å
328L90.1Very high83.3Confident2 Ų227.9 Ų27.91%0.0114%0.141CC..Hα-helixtrans-61.5-47.3-179.6174.155.3000112.1I305 P315 L324 R326 R330 A331 V332 F346 I375 E378I305-L328 HydrophobicContact CD1-CB 3.9Å; I305-L328 HydrophobicContact CG1-CB 4.22Å; P315-L328 HydrophobicContact CG-CD2 4.45Å; L324-L328 WeakPolarHBondContact O-CB 3.43Å; L324-L328 PolarHBondContact O-N 3.26Å; R326-L328 PolarHBondContact O-N 2.83Å; L328-R330 VanDerWaalsContact C-N 3.3Å; L328-R330 PolarHBondContact O-N 3.19Å; L328-A331 PolarHBondContact O-N 3.05Å; L328-V332 HydrophobicContact CD1-CG2 3.88Å; L328-V332 HydrophobicContact CG-CG2 4.47Å; L328-V332 WeakPolarHBondContact O-CG2 3.45Å; L328-V332 PolarHBondContact O-N 3.4Å; L328-F346 HydrophobicContact CD1-CD1 3.7Å; L328-F346 HydrophobicContact CD1-CE1 3.55Å; L328-I375 HydrophobicContact CD1-CB 4.5Å; L328-I375 HydrophobicContact CD1-CG1 4.34Å; L328-I375 HydrophobicContact CD1-CG2 3.9Å; L328-E378 HydrophobicContact CD2-CB 3.47Å; L328-E378 VanDerWaalsContact CD2-CB 3.47Å; L328-E378 HydrophobicContact CD2-CG 3.89Å; L328-E378 HydrophobicContact CG-CB 4.49Å
329R85.8Confident85.1Confident29 Ų2923.4 Ų23.411%0.10911%0.113CC..Hα-helixtrans-62.4-38.5179.1-74.2179.4176.6-169.4-1.4112R325 R326 I327 R333 F382 G419 P421R325-R329 HydrophobicContact CG-CG 4.31Å; R325-R329 WeakPolarHBondContact O-CB 3.45Å; R325-R329 WeakPolarHBondContact O-CG 3.43Å; R325-R329 PolarHBondContact O-N 3.47Å; R326-R329 PolarHBondContact O-N 3.22Å; I327-R329 PolarHBondContact O-N 2.87Å; R329-R333 WeakPolarHBondContact O-CB 3.19Å; R329-R333 PolarHBondContact O-N 3.02Å; R329-F382 HydrophobicContact CB-CD1 4.17Å; R329-F382 HydrophobicContact CB-CD2 4.05Å; R329-F382 HydrophobicContact CB-CE1 4.01Å; R329-F382 HydrophobicContact CB-CE2 3.9Å; R329-F382 HydrophobicContact CB-CG 4.18Å; R329-F382 HydrophobicContact CB-CZ 3.87Å; R329-F382 VanDerWaalsContact CD-CD2 3.47Å; R329-F382 HydrophobicContact CG-CB 4.09Å; R329-F382 HydrophobicContact CG-CD1 4.05Å; R329-F382 HydrophobicContact CG-CD2 3.54Å; R329-F382 HydrophobicContact CG-CE1 4.36Å; R329-F382 HydrophobicContact CG-CE2 3.9Å; R329-F382 HydrophobicContact CG-CG 3.62Å; R329-F382 HydrophobicContact CG-CZ 4.29Å; R329-F382 VanDerWaalsContact O-CE1 3.25Å; R329-F382 WeakPolarHBondContact O-CE1 3.45Å; R329-G419 PolarHBondContact NH1-O 3.04Å; R329-P421 VanDerWaalsContact NH1-CG 3.35Å
330R86.9Confident86.3Confident4 Ų427.6 Ų27.62%0.01512%0.124CC..Hα-helixtrans-62.1-48.7173.9-174.8175.5175.4-154.76.5110.9L85 V88 V297 R326 I327 L328 V332 R333 Y334 L427L85-R330 PolarHBondContact O-NH1 3.31Å; V88-R330 PolarHBondContact O-NH2 2.74Å; V297-R330 HydrophobicContact CG1-CG 4.33Å; R326-R330 WeakPolarHBondContact O-CB 2.89Å; R326-R330 PolarHBondContact O-N 3.42Å; I327-R330 PolarHBondContact O-N 3.18Å; L328-R330 VanDerWaalsContact C-N 3.3Å; L328-R330 PolarHBondContact O-N 3.19Å; R330-V332 PolarHBondContact O-N 3.4Å; R330-R333 PolarHBondContact O-N 3.42Å; R330-Y334 HydrophobicContact CG-CD2 3.94Å; R330-Y334 HydrophobicContact CG-CE2 3.92Å; R330-Y334 WeakPolarHBondContact O-CD2 3.39Å; R330-Y334 PolarHBondContact O-N 3.05Å; R330-Y334 VanDerWaalsContact O-N 3.07Å; R330-L427 HydrophobicContact CG-CD1 4.42Å
331A92.4Very high87Confident0 Ų024.3 Ų24.30%011%0.113CC..Hα-helixtrans-60.2-47.4178.900000112.4H301 I327 L328 R333 Y334 S335 F346H301-A331 HydrophobicContact CB-CB 3.74Å; I327-A331 PolarHBondContact O-N 3.49Å; L328-A331 PolarHBondContact O-N 3.05Å; A331-R333 VanDerWaalsContact C-N 3.31Å; A331-R333 PolarHBondContact O-N 3.1Å; A331-Y334 PolarHBondContact O-N 2.99Å; A331-S335 VanDerWaalsContact O-CB 3.28Å; A331-S335 WeakPolarHBondContact O-CB 3.23Å; A331-S335 PolarHBondContact O-N 3.33Å; A331-F346 HydrophobicContact CB-CD1 4.44Å; A331-F346 HydrophobicContact CB-CD2 4.06Å; A331-F346 HydrophobicContact CB-CE1 3.9Å; A331-F346 HydrophobicContact CB-CE2 3.47Å; A331-F346 VanDerWaalsContact CB-CE2 3.47Å; A331-F346 HydrophobicContact CB-CZ 3.38Å
332V91.3Very high87.9Confident1 Ų127.9 Ų27.91%0.00614%0.135CC..Hα-helixtrans-58.8-42.1176.2169.60000111.2L328 R330 S335 H336 F346 E379 F382 L383L328-V332 HydrophobicContact CD1-CG2 3.88Å; L328-V332 HydrophobicContact CG-CG2 4.47Å; L328-V332 WeakPolarHBondContact O-CG2 3.45Å; L328-V332 PolarHBondContact O-N 3.4Å; R330-V332 PolarHBondContact O-N 3.4Å; V332-S335 WeakPolarHBondContact O-CB 3.49Å; V332-S335 PolarHBondContact O-N 3.11Å; V332-H336 PolarHBondContact O-CD2 3.49Å; V332-H336 VanDerWaalsContact O-CD2 3.27Å; V332-H336 PolarHBondContact O-N 2.8Å; V332-F346 HydrophobicContact CG2-CD1 4.31Å; V332-E379 HydrophobicContact CG1-CB 4.26Å; V332-E379 HydrophobicContact CG1-CG 3.75Å; V332-E379 HydrophobicContact CG2-CB 4.03Å; V332-E379 HydrophobicContact CG2-CG 4.23Å; V332-F382 HydrophobicContact CB-CD1 4.24Å; V332-F382 HydrophobicContact CB-CE1 4.5Å; V332-F382 HydrophobicContact CG1-CD1 3.86Å; V332-F382 HydrophobicContact CG1-CE1 4.3Å; V332-L383 HydrophobicContact CG1-CD2 4.21Å; V332-L383 HydrophobicContact CG1-CG 4.43Å
333R86.7Confident88.8Confident4 Ų430.8 Ų30.82%0.01515%0.149CC..Hα-helixtrans-60.5-52.8176.7177178.7170.8-124-9.3111.9R329 R330 A331 S335 H336 E337 F382 E431R329-R333 WeakPolarHBondContact O-CB 3.19Å; R329-R333 PolarHBondContact O-N 3.02Å; R330-R333 PolarHBondContact O-N 3.42Å; A331-R333 VanDerWaalsContact C-N 3.31Å; A331-R333 PolarHBondContact O-N 3.1Å; R333-S335 PolarHBondContact O-N 3.38Å; R333-H336 PolarHBondContact O-N 3.49Å; R333-E337 HydrophobicContact CG-CG 4.15Å; R333-E337 WeakPolarHBondContact CG-OE2 3.5Å; R333-E337 IonicContact CZ-OE2 3.59Å; R333-E337 IonicContact NE-OE2 3.47Å; R333-E337 PolarHBondContact NE-OE2 3.1Å; R333-E337 IonicContact NH2-OE2 3.4Å; R333-E337 PolarHBondContact NH2-OE2 3.34Å; R333-E337 WeakPolarHBondContact O-CB 3.42Å; R333-E337 PolarHBondContact O-N 2.91Å; R333-F382 HydrophobicContact CB-CE1 4.24Å; R333-E431 IonicContact CZ-OE1 3.15Å; R333-E431 IonicContact NH1-OE1 3.27Å; R333-E431 PolarHBondContact NH1-OE1 3.01Å; R333-E431 IonicContact NH2-OE1 3.3Å; R333-E431 PolarHBondContact NH2-OE1 2.74Å; R333-E431 IonicContact NH2-OE2 3.48Å; R333-E431 PolarHBondContact NH2-OE2 3.42Å
334Y90.8Very high89.3Confident9 Ų931 Ų314%0.03516%0.155CC..Hα-helixtrans-60.9-37.5179.2-84.1-90.2000111.2M293 A294 V297 R330 A331 H336 K338 L339M293-Y334 HydrophobicContact CE-CE1 3.94Å; M293-Y334 WeakPolarHBondContact CE-OH 3.3Å; M293-Y334 HydrophobicContact CG-CE1 4.21Å; M293-Y334 HydrophobicContact SD-CE1 4.04Å; A294-Y334 HydrophobicContact CB-CD1 3.88Å; V297-Y334 HydrophobicContact CG1-CD2 4.03Å; V297-Y334 HydrophobicContact CG1-CG 4.28Å; R330-Y334 HydrophobicContact CG-CD2 3.94Å; R330-Y334 HydrophobicContact CG-CE2 3.92Å; R330-Y334 WeakPolarHBondContact O-CD2 3.39Å; R330-Y334 PolarHBondContact O-N 3.05Å; R330-Y334 VanDerWaalsContact O-N 3.07Å; A331-Y334 PolarHBondContact O-N 2.99Å; Y334-H336 PolarHBondContact O-N 2.84Å; Y334-K338 HydrophobicContact CD1-CB 4.38Å; Y334-K338 HydrophobicContact CD1-CG 3.73Å; Y334-K338 HydrophobicContact CE1-CG 4.19Å; Y334-K338 WeakPolarHBondContact O-CB 3.31Å; Y334-K338 PolarHBondContact O-N 3.2Å; Y334-K338 VanDerWaalsContact O-N 3.08Å; Y334-L339 PolarHBondContact O-N 2.99Å
335S93.6Very high89.9Confident0 Ų031.7 Ų31.70%016%0.157CC..Hα-helixtrans-58.5-48.5175.9-172.80000111.8A331 V332 R333 L339 N340 A341A331-S335 VanDerWaalsContact O-CB 3.28Å; A331-S335 WeakPolarHBondContact O-CB 3.23Å; A331-S335 PolarHBondContact O-N 3.33Å; V332-S335 WeakPolarHBondContact O-CB 3.49Å; V332-S335 PolarHBondContact O-N 3.11Å; R333-S335 PolarHBondContact O-N 3.38Å; S335-L339 CarbonylContact O-C 3.59Å; S335-L339 WeakPolarHBondContact O-CB 3.42Å; S335-N340 PolarHBondContact O-N 3.44Å; S335-A341 WeakPolarHBondContact O-CB 3.28Å; S335-A341 PolarHBondContact O-N 3.39Å; S335-A341 WeakPolarHBondContact OG-CB 3.47Å
336H89.8Confident90.7Very high40 Ų4030.6 Ų30.619%0.18515%0.153CC..Hα-helixtrans-80.5-48.3-178.3-80.9-94.5000113.6V332 R333 Y334 N340 A341 E379V332-H336 PolarHBondContact O-CD2 3.49Å; V332-H336 VanDerWaalsContact O-CD2 3.27Å; V332-H336 PolarHBondContact O-N 2.8Å; R333-H336 PolarHBondContact O-N 3.49Å; Y334-H336 PolarHBondContact O-N 2.84Å; H336-N340 WeakPolarHBondContact O-CA 3.35Å; H336-N340 PolarHBondContact O-N 3.41Å; H336-A341 PolarHBondContact ND1-O 3.29Å; H336-E379 IonicContact CD2-OE1 2.66Å; H336-E379 IonicContact CE1-OE1 3.84Å; H336-E379 IonicContact NE2-OE1 2.72Å; H336-E379 PolarHBondContact NE2-OE1 3.24Å
337E85.9Confident91.4Very high62 Ų6228.5 Ų28.529%0.2915%0.146SC..Hα-helixtrans-84.3-30.7-169.2-64.6-170.1161.500113.7R333 R390R333-E337 HydrophobicContact CG-CG 4.15Å; R333-E337 WeakPolarHBondContact CG-OE2 3.5Å; R333-E337 IonicContact CZ-OE2 3.59Å; R333-E337 IonicContact NE-OE2 3.47Å; R333-E337 PolarHBondContact NE-OE2 3.1Å; R333-E337 IonicContact NH2-OE2 3.4Å; R333-E337 PolarHBondContact NH2-OE2 3.34Å; R333-E337 WeakPolarHBondContact O-CB 3.42Å; R333-E337 PolarHBondContact O-N 2.91Å; E337-R390 IonicContact OE1-NE 3.37Å
338K89.9Confident91.8Very high69 Ų6931.7 Ų31.730%0.317%0.165SC..THydrogen-bonded Turntrans-101.6-37.7-178.6-61.4-64-174173.50112.7A294 Y334A294-K338 HydrophobicContact CB-CB 3.86Å; Y334-K338 HydrophobicContact CD1-CB 4.38Å; Y334-K338 HydrophobicContact CD1-CG 3.73Å; Y334-K338 HydrophobicContact CE1-CG 4.19Å; Y334-K338 WeakPolarHBondContact O-CB 3.31Å; Y334-K338 PolarHBondContact O-N 3.2Å; Y334-K338 VanDerWaalsContact O-N 3.08Å
339L93.9Very high92.2Very high5 Ų531.6 Ų31.63%0.02617%0.165CC..THydrogen-bonded Turntrans-102.8-4-176.5-59.6172.1000113.6I270 T274 A276 I291 A294 Y295 L298 Y334 S335 A341I270-L339 HydrophobicContact CG2-CD1 3.72Å; T274-L339 HydrophobicContact CG2-CB 4.05Å; A276-L339 HydrophobicContact CB-CD2 3.87Å; I291-L339 HydrophobicContact CG2-CD2 3.99Å; A294-L339 HydrophobicContact CB-CD1 3.89Å; A294-L339 HydrophobicContact CB-CD2 3.96Å; A294-L339 HydrophobicContact CB-CG 3.75Å; Y295-L339 HydrophobicContact CD2-CD2 4.45Å; Y295-L339 HydrophobicContact CE2-CD2 4.3Å; L298-L339 HydrophobicContact CD1-CD1 4.13Å; L298-L339 HydrophobicContact CD2-CD1 3.56Å; L298-L339 HydrophobicContact CG-CD1 4.41Å; Y334-L339 PolarHBondContact O-N 2.99Å; S335-L339 CarbonylContact O-C 3.59Å; S335-L339 WeakPolarHBondContact O-CB 3.42Å; L339-A341 PolarHBondContact O-N 2.92Å
340N91.5Very high92.8Very high134 Ų13430.3 Ų30.372%0.71716%0.16SC*.  trans52.932.2-177.2-64.1-45.2000113.5S335 H336S335-N340 PolarHBondContact O-N 3.44Å; H336-N340 WeakPolarHBondContact O-CA 3.35Å; H336-N340 PolarHBondContact O-N 3.41Å
341A93.3Very high93.3Very high5 Ų533.9 Ų33.94%0.04118%0.179CC..PPolyproline II helixtrans-66.3144.4179.900000111.3T274 S335 H336 L339 F345T274-A341 HydrophobicContact CG2-CB 3.67Å; S335-A341 WeakPolarHBondContact O-CB 3.28Å; S335-A341 PolarHBondContact O-N 3.39Å; S335-A341 WeakPolarHBondContact OG-CB 3.47Å; H336-A341 PolarHBondContact ND1-O 3.29Å; L339-A341 PolarHBondContact O-N 2.92Å; A341-F345 HydrophobicContact CB-CB 3.87Å; A341-F345 HydrophobicContact CB-CD1 3.56Å; A341-F345 HydrophobicContact CB-CE1 4.46Å; A341-F345 HydrophobicContact CB-CG 3.86Å
342P91.8Very high93.6Very high79 Ų7934.7 Ų34.751%0.51318%0.184SC..PPolyproline II helixtrans-67.8157.3172.629.4-33.7000111.2G344 F345P342-G344 PolarHBondContact O-N 2.92Å; P342-F345 HydrophobicContact CG-CB 4.24Å; P342-F345 WeakPolarHBondContact O-CB 3.31Å; P342-F345 PolarHBondContact O-N 2.92Å; P342-F345 VanDerWaalsContact O-N 3.08Å
343K91.6Very high93.9Very high119 Ų11934.6 Ų34.652%0.51718%0.184SC..THydrogen-bonded Turntrans-56.4134.3175.4-172.2-174.4176.6-153.40111.6F345 E379 D380 L383K343-F345 VanDerWaalsContact C-N 3.28Å; K343-E379 WeakPolarHBondContact CA-OE1 3.35Å; K343-D380 WeakPolarHBondContact CE-OD1 3.17Å; K343-D380 IonicContact NZ-OD1 2.81Å; K343-D380 PolarHBondContact NZ-OD1 3.41Å; K343-D380 IonicContact NZ-OD2 3.96Å; K343-D380 PolarHBondContact NZ-OD2 3.42Å; K343-L383 HydrophobicContact CD-CD1 4.49Å; K343-L383 HydrophobicContact CG-CD1 4.13Å
344G92.8Very high94.4Very high19 Ų1935.5 Ų35.520%0.19619%0.19CC..THydrogen-bonded Turntrans82.9-0.6-17700000114.3P342 F346 N376 E379P342-G344 PolarHBondContact O-N 2.92Å; G344-F346 PolarHBondContact O-N 3.32Å; G344-N376 VanDerWaalsContact CA-OD1 3.26Å; G344-N376 WeakPolarHBondContact CA-OD1 3.45Å; G344-E379 VanDerWaalsContact CA-OE2 3.32Å; G344-E379 WeakPolarHBondContact CA-OE2 3.29Å; G344-E379 VanDerWaalsContact N-CD 3.34Å; G344-E379 PolarHBondContact N-OE1 2.91Å; G344-E379 PolarHBondContact N-OE2 3.42Å; G344-E379 VanDerWaalsContact N-OE2 3.15Å
345F97.3Very high94.7Very high14 Ų1442.7 Ų42.76%0.06122%0.224CC..Hα-helixtrans-61.4-44177.4171.9-103.3000112.2I270 T274 L298 A341 P342 K343 A347 T348 L349I270-F345 HydrophobicContact CG1-CE1 4.45Å; I270-F345 HydrophobicContact CG1-CZ 4.39Å; T274-F345 HydrophobicContact CG2-CD1 3.99Å; T274-F345 HydrophobicContact CG2-CE1 3.68Å; T274-F345 HydrophobicContact CG2-CZ 4.03Å; L298-F345 HydrophobicContact CD2-CE1 4.21Å; A341-F345 HydrophobicContact CB-CB 3.87Å; A341-F345 HydrophobicContact CB-CD1 3.56Å; A341-F345 HydrophobicContact CB-CE1 4.46Å; A341-F345 HydrophobicContact CB-CG 3.86Å; P342-F345 HydrophobicContact CG-CB 4.24Å; P342-F345 WeakPolarHBondContact O-CB 3.31Å; P342-F345 PolarHBondContact O-N 2.92Å; P342-F345 VanDerWaalsContact O-N 3.08Å; K343-F345 VanDerWaalsContact C-N 3.28Å; F345-A347 VanDerWaalsContact C-N 3.25Å; F345-A347 PolarHBondContact O-N 3.07Å; F345-T348 WeakPolarHBondContact O-CB 3.22Å; F345-T348 PolarHBondContact O-N 3.01Å; F345-T348 PolarHBondContact O-OG1 2.74Å; F345-L349 HydrophobicContact CE1-CD1 4.48Å; F345-L349 HydrophobicContact CE1-CG 4.5Å; F345-L349 HydrophobicContact CZ-CD2 4.04Å; F345-L349 HydrophobicContact CZ-CG 4.41Å
346F97.8Very high94.7Very high1 Ų144.9 Ų44.90%0.00424%0.239CC..Hα-helixtrans-59.9-36.7-175.3-176.8-109.7000112.2L298 H301 A302 L328 A331 V332 G344 T348 L349 I375L298-F346 HydrophobicContact CG-CD2 4.2Å; L298-F346 HydrophobicContact CG-CE2 4.36Å; H301-F346 HydrophobicContact CB-CZ 4.38Å; A302-F346 HydrophobicContact CB-CE2 3.97Å; A302-F346 HydrophobicContact CB-CZ 4.07Å; L328-F346 HydrophobicContact CD1-CD1 3.7Å; L328-F346 HydrophobicContact CD1-CE1 3.55Å; A331-F346 HydrophobicContact CB-CD1 4.44Å; A331-F346 HydrophobicContact CB-CD2 4.06Å; A331-F346 HydrophobicContact CB-CE1 3.9Å; A331-F346 HydrophobicContact CB-CE2 3.47Å; A331-F346 VanDerWaalsContact CB-CE2 3.47Å; A331-F346 HydrophobicContact CB-CZ 3.38Å; V332-F346 HydrophobicContact CG2-CD1 4.31Å; G344-F346 PolarHBondContact O-N 3.32Å; F346-T348 PolarHBondContact O-N 2.71Å; F346-L349 HydrophobicContact CD2-CD1 3.94Å; F346-L349 HydrophobicContact CE2-CD1 4.14Å; F346-L349 WeakPolarHBondContact O-CB 3.34Å; F346-L349 PolarHBondContact O-N 2.98Å; F346-L349 VanDerWaalsContact O-N 3.11Å; F346-I375 HydrophobicContact CD1-CG2 3.73Å; F346-I375 HydrophobicContact CE1-CG2 4.39Å
347A97.3Very high95Very high2 Ų243.2 Ų43.22%0.01723%0.232CC..Hα-helixtrans-61.2-28.4174.500000113.1F345 L349 V350 K372 I375 N376F345-A347 VanDerWaalsContact C-N 3.25Å; F345-A347 PolarHBondContact O-N 3.07Å; A347-L349 PolarHBondContact O-N 3.08Å; A347-V350 VanDerWaalsContact O-CB 3.24Å; A347-V350 WeakPolarHBondContact O-CB 3.37Å; A347-V350 WeakPolarHBondContact O-CG2 3.15Å; A347-V350 PolarHBondContact O-N 3.15Å; A347-V350 VanDerWaalsContact O-N 3.11Å; A347-K372 HydrophobicContact CB-CB 4.1Å; A347-K372 HydrophobicContact CB-CG 4.28Å; A347-K372 WeakPolarHBondContact O-CG 3.39Å; A347-I375 HydrophobicContact CB-CB 4.19Å; A347-I375 HydrophobicContact CB-CG2 3.78Å; A347-N376 WeakPolarHBondContact CB-OD1 3.39Å
348T97.4Very high95.4Very high67 Ų6740.2 Ų40.241%0.41122%0.218SC..Hα-helixtrans-65.9-22.1177.272.90000113F345 F346 V350 D351F345-T348 WeakPolarHBondContact O-CB 3.22Å; F345-T348 PolarHBondContact O-N 3.01Å; F345-T348 PolarHBondContact O-OG1 2.74Å; F346-T348 PolarHBondContact O-N 2.71Å; T348-V350 PolarHBondContact O-N 3.45Å; T348-D351 PolarHBondContact O-N 2.84Å
349L98.3Very high95.6Very high1 Ų143.2 Ų43.21%0.00524%0.237CC..Hα-helixtrans-69-16.3175.7-60.9-179.1000112.7A269 I270 L298 A302 F345 F346 A347 D351 V352 V353A269-L349 HydrophobicContact CB-CD2 4.03Å; I270-L349 HydrophobicContact CD1-CD1 4.33Å; I270-L349 HydrophobicContact CG1-CD1 4.05Å; I270-L349 HydrophobicContact CG1-CD2 3.98Å; L298-L349 HydrophobicContact CB-CD1 4.25Å; L298-L349 HydrophobicContact CD2-CD1 4.4Å; A302-L349 HydrophobicContact CB-CB 3.8Å; A302-L349 HydrophobicContact CB-CD1 4.1Å; F345-L349 HydrophobicContact CE1-CD1 4.48Å; F345-L349 HydrophobicContact CE1-CG 4.5Å; F345-L349 HydrophobicContact CZ-CD2 4.04Å; F345-L349 HydrophobicContact CZ-CG 4.41Å; F346-L349 HydrophobicContact CD2-CD1 3.94Å; F346-L349 HydrophobicContact CE2-CD1 4.14Å; F346-L349 WeakPolarHBondContact O-CB 3.34Å; F346-L349 PolarHBondContact O-N 2.98Å; F346-L349 VanDerWaalsContact O-N 3.11Å; A347-L349 PolarHBondContact O-N 3.08Å; L349-D351 PolarHBondContact O-N 3.37Å; L349-V352 HydrophobicContact CD2-CG2 4.47Å; L349-V352 WeakPolarHBondContact O-CB 3.32Å; L349-V352 PolarHBondContact O-N 3.01Å; L349-V352 VanDerWaalsContact O-N 3.11Å; L349-V353 WeakPolarHBondContact O-CG2 3.48Å; L349-V353 PolarHBondContact O-N 3.08Å
350V98.4Very high95.6Very high1 Ų143.9 Ų43.91%0.00624%0.243CC..Hα-helixtrans-55.5-40.41721740000110.6T306 A347 T348 V352 V353 V354 P368 V371 K372 I375T306-V350 HydrophobicContact CG2-CG1 3.98Å; A347-V350 VanDerWaalsContact O-CB 3.24Å; A347-V350 WeakPolarHBondContact O-CB 3.37Å; A347-V350 WeakPolarHBondContact O-CG2 3.15Å; A347-V350 PolarHBondContact O-N 3.15Å; A347-V350 VanDerWaalsContact O-N 3.11Å; T348-V350 PolarHBondContact O-N 3.45Å; V350-V352 VanDerWaalsContact C-N 3.29Å; V350-V352 PolarHBondContact O-N 2.86Å; V350-V353 WeakPolarHBondContact O-CB 3.5Å; V350-V353 PolarHBondContact O-N 3.12Å; V350-V353 VanDerWaalsContact O-N 3.12Å; V350-V354 HydrophobicContact CG1-CG2 4.3Å; V350-V354 WeakPolarHBondContact O-CG2 3.45Å; V350-V354 PolarHBondContact O-N 3.08Å; V350-P368 HydrophobicContact CG1-CB 4.13Å; V350-V371 HydrophobicContact CG1-CB 4.44Å; V350-V371 HydrophobicContact CG1-CG1 4.26Å; V350-V371 HydrophobicContact CG2-CG1 3.98Å; V350-K372 HydrophobicContact CB-CG 3.91Å; V350-K372 HydrophobicContact CG1-CG 4.16Å; V350-K372 HydrophobicContact CG2-CG 3.98Å; V350-I375 HydrophobicContact CG2-CD1 3.58Å
351D98Very high95.8Very high79 Ų7937.5 Ų37.542%0.42221%0.209SC..Hα-helixtrans-62.8-38179.3-67.9-44.3000111.9T348 L349 V354 Q355 K372T348-D351 PolarHBondContact O-N 2.84Å; L349-D351 PolarHBondContact O-N 3.37Å; D351-V354 PolarHBondContact O-N 2.74Å; D351-Q355 WeakPolarHBondContact O-CB 3.32Å; D351-Q355 PolarHBondContact O-N 3.43Å; D351-K372 WeakPolarHBondContact OD1-CE 3.26Å; D351-K372 IonicContact OD1-NZ 2.81Å; D351-K372 PolarHBondContact OD1-NZ 3.07Å; D351-K372 WeakPolarHBondContact OD2-CE 3.34Å; D351-K372 IonicContact OD2-NZ 3.3Å; D351-K372 PolarHBondContact OD2-NZ 2.69Å
352V98.1Very high95.8Very high17 Ų1740.7 Ų40.710%0.10323%0.229CC..Hα-helixtrans-67.7-38.6175.8-1710000110.6P265 Y266 A269 L349 V350 Q355 S356P265-V352 HydrophobicContact CB-CG1 4.03Å; Y266-V352 HydrophobicContact CD1-CB 4.03Å; Y266-V352 HydrophobicContact CD1-CG1 3.65Å; Y266-V352 HydrophobicContact CD2-CG1 4.24Å; Y266-V352 HydrophobicContact CE1-CB 3.98Å; Y266-V352 HydrophobicContact CE1-CG1 3.74Å; Y266-V352 HydrophobicContact CE2-CG1 4.34Å; Y266-V352 HydrophobicContact CG-CG1 3.93Å; A269-V352 HydrophobicContact CB-CG2 3.7Å; L349-V352 HydrophobicContact CD2-CG2 4.47Å; L349-V352 WeakPolarHBondContact O-CB 3.32Å; L349-V352 PolarHBondContact O-N 3.01Å; L349-V352 VanDerWaalsContact O-N 3.11Å; V350-V352 VanDerWaalsContact C-N 3.29Å; V350-V352 PolarHBondContact O-N 2.86Å; V352-Q355 PolarHBondContact O-N 2.77Å; V352-S356 WeakPolarHBondContact O-CB 3.33Å; V352-S356 PolarHBondContact O-N 2.78Å; V352-S356 PolarHBondContact O-OG 2.99Å
353V98.1Very high95.6Very high0 Ų039.3 Ų39.30%022%0.216CC..Hα-helixtrans-63.3-46.3174.4-1770000111.5Y266 A302 R303 T306 L349 V350 Q355 S356 L357 L364Y266-V353 HydrophobicContact CE1-CB 4.44Å; Y266-V353 HydrophobicContact CE1-CG2 3.59Å; Y266-V353 WeakPolarHBondContact OH-CA 3.48Å; A302-V353 HydrophobicContact CB-CG2 4.22Å; R303-V353 HydrophobicContact CG-CG2 4.35Å; T306-V353 HydrophobicContact CG2-CB 3.89Å; T306-V353 HydrophobicContact CG2-CG1 3.72Å; T306-V353 HydrophobicContact CG2-CG2 4.44Å; L349-V353 WeakPolarHBondContact O-CG2 3.48Å; L349-V353 PolarHBondContact O-N 3.08Å; V350-V353 WeakPolarHBondContact O-CB 3.5Å; V350-V353 PolarHBondContact O-N 3.12Å; V350-V353 VanDerWaalsContact O-N 3.12Å; V353-Q355 VanDerWaalsContact C-N 3.29Å; V353-Q355 PolarHBondContact O-N 2.72Å; V353-S356 PolarHBondContact O-N 3.09Å; V353-L357 HydrophobicContact CG1-CD1 4.07Å; V353-L357 WeakPolarHBondContact O-CB 3.38Å; V353-L357 PolarHBondContact O-N 2.69Å; V353-L364 HydrophobicContact CG1-CD1 4.13Å
354V97.7Very high95.7Very high23 Ų2333.7 Ų33.714%0.13919%0.192CC..Hα-helixtrans-61.8-40.3178.5175.60000110.8V350 D351 G358 L364 K365 P368V350-V354 HydrophobicContact CG1-CG2 4.3Å; V350-V354 WeakPolarHBondContact O-CG2 3.45Å; V350-V354 PolarHBondContact O-N 3.08Å; D351-V354 PolarHBondContact O-N 2.74Å; V354-G358 WeakPolarHBondContact O-CA 3.14Å; V354-G358 PolarHBondContact O-N 3.18Å; V354-L364 HydrophobicContact CG2-CB 4.38Å; V354-K365 HydrophobicContact CG1-CG 3.78Å; V354-P368 HydrophobicContact CG2-CB 4.05Å
355Q96.4Very high95.7Very high159 Ų15937.7 Ų37.774%0.74320%0.203SC*.Hα-helixtrans-66.4-43.2176.5-174.3179.30.400112.6D351 V352 V353D351-Q355 WeakPolarHBondContact O-CB 3.32Å; D351-Q355 PolarHBondContact O-N 3.43Å; V352-Q355 PolarHBondContact O-N 2.77Å; V353-Q355 VanDerWaalsContact C-N 3.29Å; V353-Q355 PolarHBondContact O-N 2.72Å
356S94.1Very high95.3Very high47 Ų4744.4 Ų44.433%0.32923%0.233SC..Hα-helixtrans-78.7-36.4-175.1-63.70000113.5V352 V353V352-S356 WeakPolarHBondContact O-CB 3.33Å; V352-S356 PolarHBondContact O-N 2.78Å; V352-S356 PolarHBondContact O-OG 2.99Å; V353-S356 PolarHBondContact O-N 3.09Å
357L95.9Very high94.7Very high4 Ų447.3 Ų47.32%0.02125%0.248CC..Hα-helixtrans-116.1-15.3-170.8-66.8-176000114.2F97 R303 L307 V353 D359 A360 F361 L364F97-L357 HydrophobicContact CE1-CD1 3.93Å; R303-L357 HydrophobicContact CG-CD1 4.42Å; L307-L357 HydrophobicContact CD1-CD1 4.06Å; V353-L357 HydrophobicContact CG1-CD1 4.07Å; V353-L357 WeakPolarHBondContact O-CB 3.38Å; V353-L357 PolarHBondContact O-N 2.69Å; L357-D359 PolarHBondContact O-N 3.48Å; L357-D359 VanDerWaalsContact O-N 3.1Å; L357-A360 PolarHBondContact O-N 3.38Å; L357-F361 HydrophobicContact CB-CD2 4.13Å; L357-F361 HydrophobicContact CD2-CE2 4.49Å; L357-F361 PolarHBondContact O-N 3.32Å; L357-L364 HydrophobicContact CB-CD1 3.71Å
358G95.1Very high94.4Very high0 Ų048.6 Ų48.60%026%0.257CS..THydrogen-bonded Turntrans-68.4-11-171.600000115.5V354 P362 K365V354-G358 WeakPolarHBondContact O-CA 3.14Å; V354-G358 PolarHBondContact O-N 3.18Å; G358-P362 WeakPolarHBondContact O-CA 3.43Å; G358-K365 VanDerWaalsContact C-CE 3.48Å; G358-K365 VanDerWaalsContact C-NZ 3.31Å; G358-K365 WeakPolarHBondContact O-CE 3.41Å; G358-K365 PolarHBondContact O-NZ 3.12Å
359D93.1Very high94.1Very high132 Ų13250.1 Ų50.171%0.70626%0.262SS*.THydrogen-bonded Turntrans-81.4-37.2169.9-71-12.1000111.7L357 K365L357-D359 PolarHBondContact O-N 3.48Å; L357-D359 VanDerWaalsContact O-N 3.1Å; D359-K365 IonicContact OD1-NZ 2.72Å; D359-K365 PolarHBondContact OD1-NZ 3.09Å
360A93.7Very high93.6Very high18 Ų1853.1 Ų53.115%0.14928%0.277CS..THydrogen-bonded Turntrans-76.3-33.4174.900000111.9L357L357-A360 PolarHBondContact O-N 3.38Å
361F96.3Very high93.2Very high1 Ų153.1 Ų53.10%0.00428%0.277CS..  trans-128.879.4-176.5-54.6-55.2000110.3T72 K74 F97 E99 L307 L357 E363 L364T72-F361 HydrophobicContact CG2-CE1 4.1Å; T72-F361 HydrophobicContact CG2-CZ 4Å; K74-F361 HydrophobicContact CD-CD1 3.74Å; K74-F361 HydrophobicContact CD-CD2 4.35Å; K74-F361 HydrophobicContact CD-CE1 3.97Å; K74-F361 HydrophobicContact CD-CG 3.97Å; K74-F361 HydrophobicContact CD-CZ 4.38Å; K74-F361 HydrophobicContact CG-CD1 3.79Å; K74-F361 HydrophobicContact CG-CD2 4.25Å; K74-F361 HydrophobicContact CG-CE1 3.46Å; K74-F361 VanDerWaalsContact CG-CE1 3.46Å; K74-F361 HydrophobicContact CG-CE2 3.96Å; K74-F361 HydrophobicContact CG-CG 4.2Å; K74-F361 HydrophobicContact CG-CZ 3.56Å; F97-F361 HydrophobicContact CZ-CE2 4.47Å; E99-F361 HydrophobicContact CG-CE2 4.03Å; E99-F361 HydrophobicContact CG-CZ 3.96Å; L307-F361 HydrophobicContact CD2-CB 4.37Å; L307-F361 HydrophobicContact CD2-CD2 4.15Å; L307-F361 HydrophobicContact CD2-CG 4.33Å; L357-F361 HydrophobicContact CB-CD2 4.13Å; L357-F361 HydrophobicContact CD2-CE2 4.49Å; L357-F361 PolarHBondContact O-N 3.32Å; F361-E363 WeakPolarHBondContact CA-OE2 3.49Å; F361-E363 WeakPolarHBondContact CB-OE1 3.38Å; F361-E363 PolarHBondContact O-N 3.47Å; F361-E363 VanDerWaalsContact O-N 3.15Å; F361-L364 HydrophobicContact CB-CD1 4.12Å; F361-L364 HydrophobicContact CB-CG 4.17Å; F361-L364 WeakPolarHBondContact O-CB 3.31Å; F361-L364 WeakPolarHBondContact O-CG 3.39Å; F361-L364 PolarHBondContact O-N 2.93Å; F361-L364 VanDerWaalsContact O-N 3.15Å
362P92.9Very high93.1Very high72 Ų7250.9 Ų50.947%0.46826%0.263SS..G310 helixtrans-58.6-25.5-174.4-25.235.7000115.2G358 L364 K365G358-P362 WeakPolarHBondContact O-CA 3.43Å; P362-L364 PolarHBondContact O-N 2.89Å; P362-K365 WeakPolarHBondContact O-CB 3.25Å; P362-K365 PolarHBondContact O-N 2.91Å
363E88.5Confident92.5Very high50 Ų5055.1 Ų55.123%0.23429%0.286CS..G310 helixtrans-56.5-27.8176.163.7-83.7-163.100113.1H27 K74 F361 K365 K366H27-E363 IonicContact NE2-OE2 2.79Å; K74-E363 WeakPolarHBondContact CE-OE1 3.34Å; K74-E363 IonicContact NZ-OE1 3.38Å; K74-E363 PolarHBondContact NZ-OE1 3.5Å; F361-E363 WeakPolarHBondContact CA-OE2 3.49Å; F361-E363 WeakPolarHBondContact CB-OE1 3.38Å; F361-E363 PolarHBondContact O-N 3.47Å; F361-E363 VanDerWaalsContact O-N 3.15Å; E363-K365 PolarHBondContact O-N 3.46Å; E363-K366 WeakPolarHBondContact O-CB 3.2Å; E363-K366 PolarHBondContact O-N 2.97Å
364L92.8Very high91.6Very high1 Ų155.9 Ų55.91%0.00529%0.289CS..G310 helixtrans-61.2-25.3174.3-67.9-177.6000113.2T306 L307 S310 V353 V354 L357 F361 P362T306-L364 HydrophobicContact CG2-CD2 3.97Å; L307-L364 HydrophobicContact CD2-CD1 4.03Å; L307-L364 HydrophobicContact CD2-CD2 3.74Å; L307-L364 HydrophobicContact CD2-CG 4.07Å; L307-L364 HydrophobicContact CG-CD2 4.13Å; S310-L364 VanDerWaalsContact OG-CD2 3.32Å; S310-L364 WeakPolarHBondContact OG-CD2 3.48Å; V353-L364 HydrophobicContact CG1-CD1 4.13Å; V354-L364 HydrophobicContact CG2-CB 4.38Å; L357-L364 HydrophobicContact CB-CD1 3.71Å; F361-L364 HydrophobicContact CB-CD1 4.12Å; F361-L364 HydrophobicContact CB-CG 4.17Å; F361-L364 WeakPolarHBondContact O-CB 3.31Å; F361-L364 WeakPolarHBondContact O-CG 3.39Å; F361-L364 PolarHBondContact O-N 2.93Å; F361-L364 VanDerWaalsContact O-N 3.15Å; P362-L364 PolarHBondContact O-N 2.89Å
365K92.6Very high91.4Very high102 Ų10254.9 Ų54.944%0.44328%0.283SS..G310 helixtrans-86-7.1-178.3-65.8170.1174.1158.30113.1V354 G358 D359 P362 E363V354-K365 HydrophobicContact CG1-CG 3.78Å; G358-K365 VanDerWaalsContact C-CE 3.48Å; G358-K365 VanDerWaalsContact C-NZ 3.31Å; G358-K365 WeakPolarHBondContact O-CE 3.41Å; G358-K365 PolarHBondContact O-NZ 3.12Å; D359-K365 IonicContact OD1-NZ 2.72Å; D359-K365 PolarHBondContact OD1-NZ 3.09Å; P362-K365 WeakPolarHBondContact O-CB 3.25Å; P362-K365 PolarHBondContact O-N 2.91Å; E363-K365 PolarHBondContact O-N 3.46Å
366K88.1Confident91.2Very high155 Ų15549.5 Ų49.567%0.67426%0.26SS*.SBendtrans-66.8-50.3-172.6-173.8180176.7-176.40112.5E363E363-K366 WeakPolarHBondContact O-CB 3.2Å; E363-K366 PolarHBondContact O-N 2.97Å
367D86.4Confident90.5Very high63 Ų6351.5 Ų51.534%0.33726%0.264SS..  trans-155.272.5-178.6-170.8-4.6000111.4D369 M370D367-D369 VanDerWaalsContact C-N 3.26Å; D367-D369 PolarHBondContact O-N 3.34Å; D367-M370 HydrophobicContact CB-CB 4.3Å; D367-M370 HydrophobicContact CB-CE 4.04Å; D367-M370 VanDerWaalsContact OD1-CB 3.32Å; D367-M370 WeakPolarHBondContact OD1-CB 3.32Å; D367-M370 PolarHBondContact OD1-N 3.4Å; D367-M370 WeakPolarHBondContact OD2-CB 3.5Å
368P91.4Very high89.8Confident29 Ų2951.5 Ų51.519%0.18826%0.264CS..Hα-helixtrans-68.4-25.4-179.828.2-35.1000112.9V350 V354 V371 K372V350-P368 HydrophobicContact CG1-CB 4.13Å; V354-P368 HydrophobicContact CG2-CB 4.05Å; P368-V371 WeakPolarHBondContact O-CB 3.22Å; P368-V371 PolarHBondContact O-N 2.92Å; P368-K372 WeakPolarHBondContact O-CG 3.42Å; P368-K372 PolarHBondContact O-N 3.35Å
369D89.9Confident89.5Confident98 Ų9851.5 Ų51.552%0.52426%0.264SS..Hα-helixtrans-71.8-38.1-179.5-69.1-32000111.4D367 V371 K372 D373D367-D369 VanDerWaalsContact C-N 3.26Å; D367-D369 PolarHBondContact O-N 3.34Å; D369-V371 VanDerWaalsContact C-N 3.29Å; D369-V371 PolarHBondContact O-N 3.45Å; D369-K372 WeakPolarHBondContact O-CB 3.38Å; D369-K372 PolarHBondContact O-N 2.87Å; D369-K372 IonicContact OD1-NZ 2.67Å; D369-K372 PolarHBondContact OD1-NZ 3.32Å; D369-D373 PolarHBondContact O-N 3.49Å
370M87.9Confident88.8Confident65 Ų6547.6 Ų47.632%0.3224%0.243SC..Hα-helixtrans-60.2-38.1170.7178.7-113.1-62.400112.6R314 D367 D373 I374R314-M370 PolarHBondContact NH2-SD 3.48Å; D367-M370 HydrophobicContact CB-CB 4.3Å; D367-M370 HydrophobicContact CB-CE 4.04Å; D367-M370 VanDerWaalsContact OD1-CB 3.32Å; D367-M370 WeakPolarHBondContact OD1-CB 3.32Å; D367-M370 PolarHBondContact OD1-N 3.4Å; D367-M370 WeakPolarHBondContact OD2-CB 3.5Å; M370-D373 PolarHBondContact O-N 3.08Å; M370-I374 HydrophobicContact CG-CD1 4.22Å; M370-I374 VanDerWaalsContact O-CG1 3.31Å; M370-I374 WeakPolarHBondContact O-CG1 3.23Å; M370-I374 PolarHBondContact O-N 3.05Å; M370-I374 HydrophobicContact SD-CD1 3.74Å
371V90.6Very high87.6Confident1 Ų150.7 Ų50.71%0.00625%0.254CS..Hα-helixtrans-62.9-45.6174.7176.70000110.6T306 L309 V350 P368 D369 D373 I374 I375T306-V371 HydrophobicContact CG2-CG1 4.44Å; L309-V371 HydrophobicContact CB-CG1 4.07Å; L309-V371 HydrophobicContact CB-CG2 4.19Å; L309-V371 HydrophobicContact CD1-CG1 3.91Å; V350-V371 HydrophobicContact CG1-CB 4.44Å; V350-V371 HydrophobicContact CG1-CG1 4.26Å; V350-V371 HydrophobicContact CG2-CG1 3.98Å; P368-V371 WeakPolarHBondContact O-CB 3.22Å; P368-V371 PolarHBondContact O-N 2.92Å; D369-V371 VanDerWaalsContact C-N 3.29Å; D369-V371 PolarHBondContact O-N 3.45Å; V371-D373 VanDerWaalsContact C-N 3.35Å; V371-D373 PolarHBondContact O-N 3.05Å; V371-I374 PolarHBondContact O-N 3.3Å; V371-I375 HydrophobicContact CG1-CD1 4.03Å; V371-I375 WeakPolarHBondContact O-CG1 3.42Å; V371-I375 PolarHBondContact O-N 3.47Å; V371-I375 VanDerWaalsContact O-N 3.08Å
372K96.3Very high86.9Confident31 Ų3150.7 Ų50.714%0.13525%0.254CS..Hα-helixtrans-60.3-43.3175.8-68.1174-167.8165.90112A347 V350 D351 P368 D369 I375 N376A347-K372 HydrophobicContact CB-CB 4.1Å; A347-K372 HydrophobicContact CB-CG 4.28Å; A347-K372 WeakPolarHBondContact O-CG 3.39Å; V350-K372 HydrophobicContact CB-CG 3.91Å; V350-K372 HydrophobicContact CG1-CG 4.16Å; V350-K372 HydrophobicContact CG2-CG 3.98Å; D351-K372 WeakPolarHBondContact OD1-CE 3.26Å; D351-K372 IonicContact OD1-NZ 2.81Å; D351-K372 PolarHBondContact OD1-NZ 3.07Å; D351-K372 WeakPolarHBondContact OD2-CE 3.34Å; D351-K372 IonicContact OD2-NZ 3.3Å; D351-K372 PolarHBondContact OD2-NZ 2.69Å; P368-K372 WeakPolarHBondContact O-CG 3.42Å; P368-K372 PolarHBondContact O-N 3.35Å; D369-K372 WeakPolarHBondContact O-CB 3.38Å; D369-K372 PolarHBondContact O-N 2.87Å; D369-K372 IonicContact OD1-NZ 2.67Å; D369-K372 PolarHBondContact OD1-NZ 3.32Å; K372-I375 PolarHBondContact O-N 3.04Å; K372-N376 WeakPolarHBondContact O-CB 3.46Å; K372-N376 VanDerWaalsContact O-CG 3.26Å; K372-N376 PolarHBondContact O-N 3.43Å; K372-N376 PolarHBondContact O-ND2 2.7Å
373D84.8Confident86.2Confident107 Ų10749.1 Ų49.157%0.57224%0.242SC*.Hα-helixtrans-61.7-44.2178.9-76.6-14.5000111.7D369 M370 V371 I375 N376 E377D369-D373 PolarHBondContact O-N 3.49Å; M370-D373 PolarHBondContact O-N 3.08Å; V371-D373 VanDerWaalsContact C-N 3.35Å; V371-D373 PolarHBondContact O-N 3.05Å; D373-I375 PolarHBondContact O-N 3.46Å; D373-N376 PolarHBondContact O-N 2.9Å; D373-E377 WeakPolarHBondContact O-CB 3.47Å; D373-E377 PolarHBondContact O-N 3.44Å
374I80.1Confident85.3Confident16 Ų1653.7 Ų53.78%0.08226%0.261CS..Hα-helixtrans-60.3-46.7175.9-68.4164.4000110.7L309 P315 M370 V371 E377 E378L309-I374 HydrophobicContact CD1-CB 4.26Å; L309-I374 HydrophobicContact CD1-CG2 3.88Å; L309-I374 HydrophobicContact CD2-CG2 4.21Å; P315-I374 HydrophobicContact CG-CG2 4.14Å; M370-I374 HydrophobicContact CG-CD1 4.22Å; M370-I374 VanDerWaalsContact O-CG1 3.31Å; M370-I374 WeakPolarHBondContact O-CG1 3.23Å; M370-I374 PolarHBondContact O-N 3.05Å; M370-I374 HydrophobicContact SD-CD1 3.74Å; V371-I374 PolarHBondContact O-N 3.3Å; I374-E377 PolarHBondContact O-N 3.34Å; I374-E378 PolarHBondContact O-N 3Å
375I93.6Very high84Confident2 Ų255.5 Ų55.51%0.0127%0.272CS..Hα-helixtrans-60-52.2178.7-71.7170.5000110.8I305 L309 L328 F346 A347 V350 V371 K372 D373 E377 E378 E379I305-I375 HydrophobicContact CG2-CD1 3.82Å; I305-I375 HydrophobicContact CG2-CG1 3.85Å; L309-I375 HydrophobicContact CD1-CD1 4.46Å; L309-I375 HydrophobicContact CD1-CG1 3.97Å; L328-I375 HydrophobicContact CD1-CB 4.5Å; L328-I375 HydrophobicContact CD1-CG1 4.34Å; L328-I375 HydrophobicContact CD1-CG2 3.9Å; F346-I375 HydrophobicContact CD1-CG2 3.73Å; F346-I375 HydrophobicContact CE1-CG2 4.39Å; A347-I375 HydrophobicContact CB-CB 4.19Å; A347-I375 HydrophobicContact CB-CG2 3.78Å; V350-I375 HydrophobicContact CG2-CD1 3.58Å; V371-I375 HydrophobicContact CG1-CD1 4.03Å; V371-I375 WeakPolarHBondContact O-CG1 3.42Å; V371-I375 PolarHBondContact O-N 3.47Å; V371-I375 VanDerWaalsContact O-N 3.08Å; K372-I375 PolarHBondContact O-N 3.04Å; D373-I375 PolarHBondContact O-N 3.46Å; I375-E377 VanDerWaalsContact C-N 3.32Å; I375-E377 PolarHBondContact O-N 2.82Å; I375-E378 PolarHBondContact O-N 2.98Å; I375-E379 WeakPolarHBondContact O-CB 3.33Å; I375-E379 PolarHBondContact O-N 2.93Å
376N90.8Very high83Confident46 Ų4651 Ų5125%0.24625%0.253CS..Hα-helixtrans-60-42.9-178.9-75.8-33000111.4G344 A347 K372 D373 E379 D380G344-N376 VanDerWaalsContact CA-OD1 3.26Å; G344-N376 WeakPolarHBondContact CA-OD1 3.45Å; A347-N376 WeakPolarHBondContact CB-OD1 3.39Å; K372-N376 WeakPolarHBondContact O-CB 3.46Å; K372-N376 VanDerWaalsContact O-CG 3.26Å; K372-N376 PolarHBondContact O-N 3.43Å; K372-N376 PolarHBondContact O-ND2 2.7Å; D373-N376 PolarHBondContact O-N 2.9Å; N376-E379 WeakPolarHBondContact O-CB 3.18Å; N376-E379 PolarHBondContact O-N 3.2Å; N376-D380 PolarHBondContact O-N 2.97Å
377E79.4Confident82.1Confident89 Ų8947.5 Ų47.542%0.41625%0.247SC..Hα-helixtrans-70.2-36.3-179.2-170.5-160.8137.100112.2D373 I374 I375 D380 Q381 K747D373-E377 WeakPolarHBondContact O-CB 3.47Å; D373-E377 PolarHBondContact O-N 3.44Å; I374-E377 PolarHBondContact O-N 3.34Å; I375-E377 VanDerWaalsContact C-N 3.32Å; I375-E377 PolarHBondContact O-N 2.82Å; E377-D380 WeakPolarHBondContact O-CB 3.33Å; E377-D380 PolarHBondContact O-N 3.27Å; E377-Q381 WeakPolarHBondContact O-CG 3.33Å; E377-Q381 PolarHBondContact O-N 3.37Å; E377-Q381 PolarHBondContact OE1-NE2 3.37Å; E377-K747 VanDerWaalsContact CB-NZ 3.26Å; E377-K747 VanDerWaalsContact CG-NZ 3.27Å; E377-K747 WeakPolarHBondContact OE1-CE 3.17Å; E377-K747 IonicContact OE1-NZ 2.75Å; E377-K747 PolarHBondContact OE1-NZ 3.09Å; E377-K747 WeakPolarHBondContact OE2-CE 3.36Å; E377-K747 IonicContact OE2-NZ 2.73Å; E377-K747 PolarHBondContact OE2-NZ 3.41Å
378E82Confident80.9Confident4 Ų452.3 Ų52.32%0.01926%0.261CS..Hα-helixtrans-67.9-37.9171.2-75.4-54.1120.100112.4P315 R325 L328 I374 I375 Q381 F382 K747P315-E378 HydrophobicContact CB-CG 3.92Å; P315-E378 HydrophobicContact CG-CG 3.88Å; R325-E378 IonicContact CZ-OE2 2.67Å; R325-E378 IonicContact NE-OE2 2.68Å; R325-E378 PolarHBondContact NE-OE2 3.29Å; R325-E378 IonicContact NH2-OE2 3.44Å; L328-E378 HydrophobicContact CD2-CB 3.47Å; L328-E378 VanDerWaalsContact CD2-CB 3.47Å; L328-E378 HydrophobicContact CD2-CG 3.89Å; L328-E378 HydrophobicContact CG-CB 4.49Å; I374-E378 PolarHBondContact O-N 3Å; I375-E378 PolarHBondContact O-N 2.98Å; E378-Q381 PolarHBondContact O-N 2.95Å; E378-F382 WeakPolarHBondContact O-CB 3.41Å; E378-F382 PolarHBondContact O-N 3.12Å; E378-K747 IonicContact OE1-NZ 3.37Å; E378-K747 PolarHBondContact OE1-NZ 3.19Å
379E88.4Confident79.6Confident0 Ų051 Ų510%025%0.252CS..Hα-helixtrans-58.2-47.5172.9170.9176.2-175.100110.8V332 H336 K343 G344 I375 N376 Q381 F382 L383V332-E379 HydrophobicContact CG1-CB 4.26Å; V332-E379 HydrophobicContact CG1-CG 3.75Å; V332-E379 HydrophobicContact CG2-CB 4.03Å; V332-E379 HydrophobicContact CG2-CG 4.23Å; H336-E379 IonicContact CD2-OE1 2.66Å; H336-E379 IonicContact CE1-OE1 3.84Å; H336-E379 IonicContact NE2-OE1 2.72Å; H336-E379 PolarHBondContact NE2-OE1 3.24Å; K343-E379 WeakPolarHBondContact CA-OE1 3.35Å; G344-E379 VanDerWaalsContact CA-OE2 3.32Å; G344-E379 WeakPolarHBondContact CA-OE2 3.29Å; G344-E379 VanDerWaalsContact N-CD 3.34Å; G344-E379 PolarHBondContact N-OE1 2.91Å; G344-E379 PolarHBondContact N-OE2 3.42Å; G344-E379 VanDerWaalsContact N-OE2 3.15Å; I375-E379 WeakPolarHBondContact O-CB 3.33Å; I375-E379 PolarHBondContact O-N 2.93Å; N376-E379 WeakPolarHBondContact O-CB 3.18Å; N376-E379 PolarHBondContact O-N 3.2Å; E379-Q381 VanDerWaalsContact C-N 3.33Å; E379-Q381 PolarHBondContact O-N 2.55Å; E379-F382 PolarHBondContact O-N 3.01Å; E379-L383 HydrophobicContact CG-CD1 3.76Å; E379-L383 HydrophobicContact CG-CG 4.22Å; E379-L383 WeakPolarHBondContact O-CB 3.29Å; E379-L383 VanDerWaalsContact O-CG 3.31Å; E379-L383 WeakPolarHBondContact O-CG 3.2Å; E379-L383 PolarHBondContact O-N 3.46Å
380D77.6Confident78.8Confident50 Ų5051.6 Ų51.627%0.26725%0.247SC..Hα-helixtrans-53.6-47.6175.9-89.341.4000113K343 N376 E377 K384K343-D380 WeakPolarHBondContact CE-OD1 3.17Å; K343-D380 IonicContact NZ-OD1 2.81Å; K343-D380 PolarHBondContact NZ-OD1 3.41Å; K343-D380 IonicContact NZ-OD2 3.96Å; K343-D380 PolarHBondContact NZ-OD2 3.42Å; N376-D380 PolarHBondContact O-N 2.97Å; E377-D380 WeakPolarHBondContact O-CB 3.33Å; E377-D380 PolarHBondContact O-N 3.27Å; D380-K384 WeakPolarHBondContact O-CG 3.27Å
381Q70.1Confident78Confident82 Ų8256.7 Ų56.738%0.38326%0.263SS..Hα-helixtrans-70.4-42.5179.8-68-178.41900110.8E377 E378 E379 K384 T385E377-Q381 WeakPolarHBondContact O-CG 3.33Å; E377-Q381 PolarHBondContact O-N 3.37Å; E377-Q381 PolarHBondContact OE1-NE2 3.37Å; E378-Q381 PolarHBondContact O-N 2.95Å; E379-Q381 VanDerWaalsContact C-N 3.33Å; E379-Q381 PolarHBondContact O-N 2.55Å; Q381-K384 PolarHBondContact O-N 3Å; Q381-T385 PolarHBondContact O-N 3.35Å; Q381-T385 PolarHBondContact O-OG1 3.46Å
382F79.9Confident76.7Confident1 Ų157.8 Ų57.80%0.00427%0.269CS..Hα-helixtrans-66.1-45.4-178.3176.2-121.9000112.4R329 V332 R333 E378 E379 K384 T385 L386 L424R329-F382 HydrophobicContact CB-CD1 4.17Å; R329-F382 HydrophobicContact CB-CD2 4.05Å; R329-F382 HydrophobicContact CB-CE1 4.01Å; R329-F382 HydrophobicContact CB-CE2 3.9Å; R329-F382 HydrophobicContact CB-CG 4.18Å; R329-F382 HydrophobicContact CB-CZ 3.87Å; R329-F382 VanDerWaalsContact CD-CD2 3.47Å; R329-F382 HydrophobicContact CG-CB 4.09Å; R329-F382 HydrophobicContact CG-CD1 4.05Å; R329-F382 HydrophobicContact CG-CD2 3.54Å; R329-F382 HydrophobicContact CG-CE1 4.36Å; R329-F382 HydrophobicContact CG-CE2 3.9Å; R329-F382 HydrophobicContact CG-CG 3.62Å; R329-F382 HydrophobicContact CG-CZ 4.29Å; R329-F382 VanDerWaalsContact O-CE1 3.25Å; R329-F382 WeakPolarHBondContact O-CE1 3.45Å; V332-F382 HydrophobicContact CB-CD1 4.24Å; V332-F382 HydrophobicContact CB-CE1 4.5Å; V332-F382 HydrophobicContact CG1-CD1 3.86Å; V332-F382 HydrophobicContact CG1-CE1 4.3Å; R333-F382 HydrophobicContact CB-CE1 4.24Å; E378-F382 WeakPolarHBondContact O-CB 3.41Å; E378-F382 PolarHBondContact O-N 3.12Å; E379-F382 PolarHBondContact O-N 3.01Å; F382-K384 VanDerWaalsContact C-N 3.26Å; F382-K384 PolarHBondContact O-N 3.33Å; F382-T385 CarbonylContact O-C 3.48Å; F382-T385 WeakPolarHBondContact O-CA 3.43Å; F382-T385 PolarHBondContact O-N 3.46Å; F382-L386 HydrophobicContact CE1-CD2 3.99Å; F382-L386 HydrophobicContact CE2-CB 4.27Å; F382-L386 HydrophobicContact CZ-CB 4.24Å; F382-L386 HydrophobicContact CZ-CD1 4.11Å; F382-L386 HydrophobicContact CZ-CD2 4.13Å; F382-L386 HydrophobicContact CZ-CG 4.4Å; F382-L386 VanDerWaalsContact O-CB 3.31Å; F382-L386 WeakPolarHBondContact O-CB 3.31Å; F382-L386 PolarHBondContact O-N 3.5Å; F382-L424 HydrophobicContact CE2-CD2 3.62Å; F382-L424 HydrophobicContact CZ-CD2 3.58Å
383L79.6Confident75.6Confident40 Ų4056.4 Ų56.421%0.20926%0.263CS..Hα-helixtrans-61-35.2-179.9-69.5174.1000112.2V332 K343 E379 L386 S387V332-L383 HydrophobicContact CG1-CD2 4.21Å; V332-L383 HydrophobicContact CG1-CG 4.43Å; K343-L383 HydrophobicContact CD-CD1 4.49Å; K343-L383 HydrophobicContact CG-CD1 4.13Å; E379-L383 HydrophobicContact CG-CD1 3.76Å; E379-L383 HydrophobicContact CG-CG 4.22Å; E379-L383 WeakPolarHBondContact O-CB 3.29Å; E379-L383 VanDerWaalsContact O-CG 3.31Å; E379-L383 WeakPolarHBondContact O-CG 3.2Å; E379-L383 PolarHBondContact O-N 3.46Å; L383-L386 HydrophobicContact CD2-CD2 4.35Å; L383-S387 PolarHBondContact O-N 3.14Å; L383-S387 VanDerWaalsContact O-N 3.17Å; L383-S387 PolarHBondContact O-OG 3.43Å
384K68.4Low75.3Confident146 Ų14653 Ų5364%0.63524%0.244SC*.Hα-helixtrans-63.1-44.7171.8-69.3170.6-174.5167.60111.4D380 Q381 F382 S387D380-K384 WeakPolarHBondContact O-CG 3.27Å; Q381-K384 PolarHBondContact O-N 3Å; F382-K384 VanDerWaalsContact C-N 3.26Å; F382-K384 PolarHBondContact O-N 3.33Å; K384-S387 PolarHBondContact O-OG 2.87Å
385T65Low75Confident38 Ų3858.5 Ų58.523%0.23326%0.264CS..Hα-helixtrans-70.2-40.6178.4-580000112.2Q381 F382 R388 G389 Y418Q381-T385 PolarHBondContact O-N 3.35Å; Q381-T385 PolarHBondContact O-OG1 3.46Å; F382-T385 CarbonylContact O-C 3.48Å; F382-T385 WeakPolarHBondContact O-CA 3.43Å; F382-T385 PolarHBondContact O-N 3.46Å; T385-R388 PolarHBondContact O-N 3.4Å; T385-G389 PolarHBondContact O-N 2.84Å; T385-Y418 WeakPolarHBondContact CG2-O 3.33Å
386L73.3Confident73.9Confident9 Ų962.6 Ų62.65%0.04728%0.282CS..Hα-helixtrans-60-50.6-179.5179.560.5000111.2F382 L383 R388 G389 R390 F420 L424F382-L386 HydrophobicContact CE1-CD2 3.99Å; F382-L386 HydrophobicContact CE2-CB 4.27Å; F382-L386 HydrophobicContact CZ-CB 4.24Å; F382-L386 HydrophobicContact CZ-CD1 4.11Å; F382-L386 HydrophobicContact CZ-CD2 4.13Å; F382-L386 HydrophobicContact CZ-CG 4.4Å; F382-L386 VanDerWaalsContact O-CB 3.31Å; F382-L386 WeakPolarHBondContact O-CB 3.31Å; F382-L386 PolarHBondContact O-N 3.5Å; L383-L386 HydrophobicContact CD2-CD2 4.35Å; L386-R388 VanDerWaalsContact C-N 3.3Å; L386-R388 PolarHBondContact O-N 3.42Å; L386-G389 PolarHBondContact O-N 2.97Å; L386-R390 WeakPolarHBondContact O-CB 3.36Å; L386-R390 PolarHBondContact O-N 2.68Å; L386-F420 HydrophobicContact CD1-CE2 3.93Å; L386-F420 HydrophobicContact CD1-CZ 4.38Å; L386-L424 HydrophobicContact CD1-CD2 3.94Å
387S68.3Low73.1Confident80 Ų8061.7 Ų61.756%0.55928%0.277SS*.Hα-helixtrans-59.3-39.7178.862.20000112.7L383 K384 R391L383-S387 PolarHBondContact O-N 3.14Å; L383-S387 VanDerWaalsContact O-N 3.17Å; L383-S387 PolarHBondContact O-OG 3.43Å; K384-S387 PolarHBondContact O-OG 2.87Å; S387-R391 PolarHBondContact O-N 3.13Å
388R62.1Low73Confident164 Ų16465 Ų6562%0.61929%0.292SS*.Hα-helixtrans-72-47.5177.4-174.6178.8177.8-176.1-1.5112.1T385 L386 R391 I392T385-R388 PolarHBondContact O-N 3.4Å; L386-R388 VanDerWaalsContact C-N 3.3Å; L386-R388 PolarHBondContact O-N 3.42Å; R388-R391 PolarHBondContact O-N 3.44Å; R388-I392 HydrophobicContact CG-CD1 4.37Å; R388-I392 WeakPolarHBondContact O-CG1 3.44Å; R388-I392 PolarHBondContact O-N 3.01Å
389G64.3Low72.4Confident1 Ų168.8 Ų68.81%0.0132%0.319CS..Hα-helixtrans-63.2-44.6-178.900000112T385 L386 R391 I392 L393T385-G389 PolarHBondContact O-N 2.84Å; L386-G389 PolarHBondContact O-N 2.97Å; G389-R391 VanDerWaalsContact C-N 3.34Å; G389-R391 PolarHBondContact O-N 2.91Å; G389-I392 WeakPolarHBondContact O-CB 3.35Å; G389-I392 PolarHBondContact O-N 2.95Å; G389-L393 WeakPolarHBondContact O-CB 3.43Å; G389-L393 PolarHBondContact O-N 3.16Å
390R72.7Confident71.6Confident112 Ų11270.7 Ų70.742%0.42333%0.329SS..Hα-helixtrans-57.3-44.1175.9-167.9174.1-162.3-95.78.7112.3E337 L386 I392 L393 D394E337-R390 IonicContact OE1-NE 3.37Å; L386-R390 WeakPolarHBondContact O-CB 3.36Å; L386-R390 PolarHBondContact O-N 2.68Å; R390-I392 PolarHBondContact O-N 2.88Å; R390-L393 PolarHBondContact O-N 3.01Å; R390-D394 IonicContact NH1-OD2 2.71Å; R390-D394 VanDerWaalsContact O-CB 3.31Å; R390-D394 WeakPolarHBondContact O-CB 3.48Å; R390-D394 VanDerWaalsContact O-CG 3.29Å; R390-D394 PolarHBondContact O-N 2.97Å
391R69.9Low71.2Confident171 Ų17171.4 Ų71.465%0.64535%0.348SS*.Hα-helixtrans-63.7-26.5177-159.6-17981.8169.33.2113.2S387 R388 G389 R395S387-R391 PolarHBondContact O-N 3.13Å; R388-R391 PolarHBondContact O-N 3.44Å; G389-R391 VanDerWaalsContact C-N 3.34Å; G389-R391 PolarHBondContact O-N 2.91Å; R391-R395 WeakPolarHBondContact O-CG 3.43Å; R391-R395 PolarHBondContact O-NE 2.67Å
392I63.7Low71.4Confident25 Ų2575.7 Ų75.713%0.12837%0.374CS..Hα-helixtrans-82.9-47.1177.2-63.5167.2000109.4R388 G389 R390 R395 K396 L414 Y418R388-I392 HydrophobicContact CG-CD1 4.37Å; R388-I392 WeakPolarHBondContact O-CG1 3.44Å; R388-I392 PolarHBondContact O-N 3.01Å; G389-I392 WeakPolarHBondContact O-CB 3.35Å; G389-I392 PolarHBondContact O-N 2.95Å; R390-I392 PolarHBondContact O-N 2.88Å; I392-R395 PolarHBondContact O-N 3.21Å; I392-K396 PolarHBondContact O-N 3.34Å; I392-L414 HydrophobicContact CB-CD2 4.23Å; I392-L414 HydrophobicContact CG2-CD2 3.89Å; I392-Y418 HydrophobicContact CD1-CD1 3.78Å; I392-Y418 HydrophobicContact CD1-CD2 4.15Å; I392-Y418 HydrophobicContact CD1-CE1 3.74Å; I392-Y418 HydrophobicContact CD1-CE2 4.11Å; I392-Y418 HydrophobicContact CD1-CG 3.98Å
393L74Confident71.3Confident1 Ų178.1 Ų78.11%0.00539%0.391CS..Hα-helixtrans-59.6-47.4177.2-178.160.4000111.8G389 R390 R395 K396 I397 I406 L414 F420 T425 I428G389-L393 WeakPolarHBondContact O-CB 3.43Å; G389-L393 PolarHBondContact O-N 3.16Å; R390-L393 PolarHBondContact O-N 3.01Å; L393-R395 VanDerWaalsContact C-N 3.33Å; L393-R395 PolarHBondContact O-N 3.44Å; L393-K396 PolarHBondContact O-N 2.86Å; L393-K396 VanDerWaalsContact O-N 3.12Å; L393-I397 HydrophobicContact CD1-CD1 3.97Å; L393-I397 HydrophobicContact CD1-CG1 4.19Å; L393-I397 HydrophobicContact CG-CD1 3.83Å; L393-I397 HydrophobicContact CG-CG1 4.43Å; L393-I397 WeakPolarHBondContact O-CB 3.37Å; L393-I397 WeakPolarHBondContact O-CG1 3.41Å; L393-I397 PolarHBondContact O-N 2.9Å; L393-I406 HydrophobicContact CD1-CD1 3.87Å; L393-L414 HydrophobicContact CB-CD1 4.43Å; L393-L414 HydrophobicContact CD1-CD1 3.82Å; L393-F420 HydrophobicContact CD2-CE1 4.07Å; L393-T425 HydrophobicContact CD1-CG2 3.95Å; L393-T425 HydrophobicContact CD2-CG2 4.43Å; L393-I428 HydrophobicContact CD2-CB 3.93Å; L393-I428 HydrophobicContact CD2-CD1 4.05Å; L393-I428 HydrophobicContact CD2-CG2 3.64Å
394D77.1Confident71.4Confident35 Ų3583.9 Ų83.919%0.18741%0.414CS..Hα-helixtrans-59.9-41.8177.6-74.8-26.9000112.1R390 I397 Q398 K432R390-D394 IonicContact NH1-OD2 2.71Å; R390-D394 VanDerWaalsContact O-CB 3.31Å; R390-D394 WeakPolarHBondContact O-CB 3.48Å; R390-D394 VanDerWaalsContact O-CG 3.29Å; R390-D394 PolarHBondContact O-N 2.97Å; D394-I397 PolarHBondContact O-N 3.03Å; D394-Q398 WeakPolarHBondContact O-CB 3.24Å; D394-Q398 VanDerWaalsContact O-CG 3.29Å; D394-Q398 WeakPolarHBondContact O-CG 3.43Å; D394-Q398 PolarHBondContact O-N 2.94Å; D394-K432 IonicContact OD1-NZ 3.27Å; D394-K432 PolarHBondContact OD1-NZ 2.62Å
395R74.4Confident72.2Confident132 Ų13279.1 Ų79.150%0.49840%0.399SS..Hα-helixtrans-65.8-38.3175.7-84.4-176-73.7158.32.4112R391 I392 L393 S399R391-R395 WeakPolarHBondContact O-CG 3.43Å; R391-R395 PolarHBondContact O-NE 2.67Å; I392-R395 PolarHBondContact O-N 3.21Å; L393-R395 VanDerWaalsContact C-N 3.33Å; L393-R395 PolarHBondContact O-N 3.44Å; R395-S399 PolarHBondContact O-N 2.57Å; R395-S399 VanDerWaalsContact O-N 3.16Å
396K70.1Confident73.1Confident88 Ų8877.3 Ų77.338%0.38339%0.388SS..Hα-helixtrans-70.2-42.5177.1-85.1-70.8-171.81670111.8I392 L393 Q398 S399 L400 T410I392-K396 PolarHBondContact O-N 3.34Å; L393-K396 PolarHBondContact O-N 2.86Å; L393-K396 VanDerWaalsContact O-N 3.12Å; K396-Q398 VanDerWaalsContact C-N 3.33Å; K396-Q398 PolarHBondContact O-N 3.49Å; K396-S399 WeakPolarHBondContact CA-OG 3.45Å; K396-S399 CarbonylContact O-C 3.56Å; K396-S399 WeakPolarHBondContact O-CA 3.28Å; K396-S399 PolarHBondContact O-N 3.43Å; K396-S399 PolarHBondContact O-OG 3.29Å; K396-L400 WeakPolarHBondContact O-CG 3.4Å; K396-L400 PolarHBondContact O-N 3.12Å; K396-L400 VanDerWaalsContact O-N 3.15Å; K396-T410 HydrophobicContact CB-CG2 4.22Å; K396-T410 HydrophobicContact CD-CG2 4.17Å; K396-T410 HydrophobicContact CG-CG2 3.99Å
397I74.7Confident73.6Confident27 Ų2779 Ų7914%0.13840%0.4CS..Hα-helixtrans-58.7-44.6172.8-69.6171.1000110.9L393 D394 S399 L400 I406 K432 L434L393-I397 HydrophobicContact CD1-CD1 3.97Å; L393-I397 HydrophobicContact CD1-CG1 4.19Å; L393-I397 HydrophobicContact CG-CD1 3.83Å; L393-I397 HydrophobicContact CG-CG1 4.43Å; L393-I397 WeakPolarHBondContact O-CB 3.37Å; L393-I397 WeakPolarHBondContact O-CG1 3.41Å; L393-I397 PolarHBondContact O-N 2.9Å; D394-I397 PolarHBondContact O-N 3.03Å; I397-S399 PolarHBondContact O-N 3.14Å; I397-L400 WeakPolarHBondContact O-CB 3.49Å; I397-L400 PolarHBondContact O-N 2.66Å; I397-L400 VanDerWaalsContact O-N 3.07Å; I397-I406 HydrophobicContact CD1-CD1 4.24Å; I397-I406 HydrophobicContact CG1-CD1 4.16Å; I397-K432 HydrophobicContact CD1-CD 4Å; I397-L434 HydrophobicContact CB-CD1 4.43Å; I397-L434 HydrophobicContact CD1-CD1 4.06Å; I397-L434 HydrophobicContact CG1-CD1 3.97Å; I397-L434 HydrophobicContact CG2-CD1 3.67Å
398Q76.7Confident74.2Confident160 Ų16075.3 Ų75.375%0.74837%0.374SS*.Hα-helixtrans-61.1-28.9174.4-75.3173.42.100113.2D394 K396D394-Q398 WeakPolarHBondContact O-CB 3.24Å; D394-Q398 VanDerWaalsContact O-CG 3.29Å; D394-Q398 WeakPolarHBondContact O-CG 3.43Å; D394-Q398 PolarHBondContact O-N 2.94Å; K396-Q398 VanDerWaalsContact C-N 3.33Å; K396-Q398 PolarHBondContact O-N 3.49Å
399S71.1Confident74.9Confident83 Ų8371.8 Ų71.858%0.5837%0.368SS*.Hα-helixtrans-83.5-8.4176.670.30000114.7R395 K396 I397R395-S399 PolarHBondContact O-N 2.57Å; R395-S399 VanDerWaalsContact O-N 3.16Å; K396-S399 WeakPolarHBondContact CA-OG 3.45Å; K396-S399 CarbonylContact O-C 3.56Å; K396-S399 WeakPolarHBondContact O-CA 3.28Å; K396-S399 PolarHBondContact O-N 3.43Å; K396-S399 PolarHBondContact O-OG 3.29Å; I397-S399 PolarHBondContact O-N 3.14Å
400L69.9Low75.4Confident40 Ų4072.3 Ų72.321%0.20937%0.37CS..THydrogen-bonded Turntrans-83.6-8.9-177.5-77.1170.3000113.9K396 I397 D402 S403 I406 P407K396-L400 WeakPolarHBondContact O-CG 3.4Å; K396-L400 PolarHBondContact O-N 3.12Å; K396-L400 VanDerWaalsContact O-N 3.15Å; I397-L400 WeakPolarHBondContact O-CB 3.49Å; I397-L400 PolarHBondContact O-N 2.66Å; I397-L400 VanDerWaalsContact O-N 3.07Å; L400-D402 PolarHBondContact O-N 3.26Å; L400-S403 VanDerWaalsContact O-CB 3.25Å; L400-S403 WeakPolarHBondContact O-CB 3.47Å; L400-S403 PolarHBondContact O-N 2.96Å; L400-S403 VanDerWaalsContact O-N 3.13Å; L400-I406 HydrophobicContact CD1-CB 4.47Å; L400-I406 HydrophobicContact CD1-CG1 4.06Å; L400-P407 HydrophobicContact CD2-CG 4.05Å
401G69.8Low75.8Confident65 Ų6567 Ų6767%0.6735%0.35SS*.THydrogen-bonded Turntrans59.2-129.8178.500000112.3S403G401-S403 VanDerWaalsContact C-N 3.26Å; G401-S403 PolarHBondContact O-N 3.09Å
402D74.4Confident76.1Confident171 Ų17160.3 Ų60.391%0.91433%0.325SS*.THydrogen-bonded Turntrans-81.21.9178.5-64.2-32.1000113.9L400 K404L400-D402 PolarHBondContact O-N 3.26Å; D402-K404 PolarHBondContact O-N 2.7Å
403S77.8Confident76.3Confident52 Ų5262.2 Ų62.236%0.36434%0.336SS..  trans-65.8127.2178.4-177.70000110.7L400 G401 S405 L434L400-S403 VanDerWaalsContact O-CB 3.25Å; L400-S403 WeakPolarHBondContact O-CB 3.47Å; L400-S403 PolarHBondContact O-N 2.96Å; L400-S403 VanDerWaalsContact O-N 3.13Å; G401-S403 VanDerWaalsContact C-N 3.26Å; G401-S403 PolarHBondContact O-N 3.09Å; S403-S405 VanDerWaalsContact C-N 3.29Å; S403-S405 PolarHBondContact OG-N 2.97Å; S403-S405 PolarHBondContact OG-O 3.4Å; S403-S405 VanDerWaalsContact OG-O 3.04Å; S403-L434 WeakPolarHBondContact O-CD2 3.47Å
404K82.3Confident76Confident162 Ų16262.3 Ų62.370%0.70434%0.336SS*.  trans-87.45.8173.8-65.3-169.3178.8-1750113.9D402 L434 A435D402-K404 PolarHBondContact O-N 2.7Å; K404-L434 CarbonylContact O-C 3.48Å; K404-L434 WeakPolarHBondContact O-CA 3.23Å; K404-A435 PolarHBondContact O-N 2.8Å
405S83.9Confident75.6Confident45 Ų4563.4 Ų63.432%0.31534%0.338SS..EExtended strand (participates in β ladder)trans-129.6135-178.3-1690000112S403 A435S403-S405 VanDerWaalsContact C-N 3.29Å; S403-S405 PolarHBondContact OG-N 2.97Å; S403-S405 PolarHBondContact OG-O 3.4Å; S403-S405 VanDerWaalsContact OG-O 3.04Å; S405-A435 CarbonylContact C-O 3.49Å; S405-A435 VanDerWaalsContact CA-O 3.32Å; S405-A435 WeakPolarHBondContact CA-O 3.21Å
406I83.9Confident75Confident1 Ų161.9 Ų61.91%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-85.3119.8171-57.3-175000107.9L393 I397 L400 T410 T425 A429 A435 V436 D437L393-I406 HydrophobicContact CD1-CD1 3.87Å; I397-I406 HydrophobicContact CD1-CD1 4.24Å; I397-I406 HydrophobicContact CG1-CD1 4.16Å; L400-I406 HydrophobicContact CD1-CB 4.47Å; L400-I406 HydrophobicContact CD1-CG1 4.06Å; I406-T410 HydrophobicContact CG2-CG2 4.3Å; I406-T425 HydrophobicContact CD1-CG2 4.27Å; I406-A429 HydrophobicContact CD1-CB 3.67Å; I406-A429 HydrophobicContact CG1-CB 4.42Å; I406-A435 PolarHBondContact N-O 3.34Å; I406-V436 HydrophobicContact CB-CG2 4.25Å; I406-V436 HydrophobicContact CD1-CG2 4.33Å; I406-D437 WeakPolarHBondContact O-CB 3.4Å; I406-D437 PolarHBondContact O-N 2.83Å
407P83.5Confident74.2Confident45 Ų4561.5 Ų61.529%0.29235%0.345SS..  trans-58.1143.8179.8-28.737.6000113.8L400 D409 T410 A411L400-P407 HydrophobicContact CD2-CG 4.05Å; P407-D409 VanDerWaalsContact C-N 3.32Å; P407-D409 WeakPolarHBondContact CB-OD1 3.47Å; P407-D409 PolarHBondContact O-N 3.01Å; P407-T410 WeakPolarHBondContact O-CB 3.4Å; P407-T410 PolarHBondContact O-N 3.01Å; P407-T410 VanDerWaalsContact O-N 3.1Å; P407-A411 PolarHBondContact O-N 3.44Å; P407-A411 VanDerWaalsContact O-N 3.11Å
408G82Confident73.2Confident2 Ų263.8 Ų63.82%0.02135%0.352CS..Hα-helixtrans-60.3-34.7-178.400000114.6T410 A411 W412 D437G408-T410 VanDerWaalsContact C-N 3.29Å; G408-T410 PolarHBondContact O-N 3.19Å; G408-A411 PolarHBondContact O-N 3.18Å; G408-W412 WeakPolarHBondContact O-CB 3.43Å; G408-W412 PolarHBondContact O-N 3.36Å; G408-D437 WeakPolarHBondContact CA-O 3Å
409D77.4Confident72.1Confident90 Ų9058 Ų5848%0.48134%0.335SS..Hα-helixtrans-62.8-34.9175.174.4-28.4000112.9P407 W412 L413 E444P407-D409 VanDerWaalsContact C-N 3.32Å; P407-D409 WeakPolarHBondContact CB-OD1 3.47Å; P407-D409 PolarHBondContact O-N 3.01Å; D409-W412 PolarHBondContact O-N 2.84Å; D409-L413 VanDerWaalsContact O-CB 3.28Å; D409-L413 WeakPolarHBondContact O-CB 3.36Å; D409-L413 PolarHBondContact O-N 3.22Å; D409-E444 HydrophobicContact CB-CG 4.33Å
410T74.7Confident71.8Confident11 Ų1154 Ų547%0.06731%0.308CS..Hα-helixtrans-76.7-40.7179.9-62.90000109.7K396 I406 P407 G408 W412 L413 L414K396-T410 HydrophobicContact CB-CG2 4.22Å; K396-T410 HydrophobicContact CD-CG2 4.17Å; K396-T410 HydrophobicContact CG-CG2 3.99Å; I406-T410 HydrophobicContact CG2-CG2 4.3Å; P407-T410 WeakPolarHBondContact O-CB 3.4Å; P407-T410 PolarHBondContact O-N 3.01Å; P407-T410 VanDerWaalsContact O-N 3.1Å; G408-T410 VanDerWaalsContact C-N 3.29Å; G408-T410 PolarHBondContact O-N 3.19Å; T410-W412 VanDerWaalsContact C-N 3.33Å; T410-L413 PolarHBondContact O-N 2.65Å; T410-L414 HydrophobicContact CG2-CD1 4.49Å; T410-L414 WeakPolarHBondContact O-CB 3.29Å; T410-L414 VanDerWaalsContact O-CG 3.25Å; T410-L414 WeakPolarHBondContact O-CG 3.17Å; T410-L414 PolarHBondContact O-N 2.84Å
411A79.9Confident71.6Confident0 Ų052.5 Ų52.50%030%0.3CS..Hα-helixtrans-62.7-40.4170.500000111.6P407 G408 L414 Y415 V422 V436 F441P407-A411 PolarHBondContact O-N 3.44Å; P407-A411 VanDerWaalsContact O-N 3.11Å; G408-A411 PolarHBondContact O-N 3.18Å; A411-L414 PolarHBondContact O-N 3.11Å; A411-Y415 WeakPolarHBondContact O-CB 3.19Å; A411-Y415 PolarHBondContact O-N 3.33Å; A411-V422 HydrophobicContact CB-CG2 4.36Å; A411-V436 HydrophobicContact CB-CG1 3.73Å; A411-F441 HydrophobicContact CB-CD2 3.86Å
412W77.8Confident71.7Confident31 Ų3150.2 Ų50.212%0.11727%0.273CS..Hα-helixtrans-66.6-44.4176.1178.8-106.1000111.9G408 D409 T410 L414 Y415 D416 F441 E444 R445 A448G408-W412 WeakPolarHBondContact O-CB 3.43Å; G408-W412 PolarHBondContact O-N 3.36Å; D409-W412 PolarHBondContact O-N 2.84Å; T410-W412 VanDerWaalsContact C-N 3.33Å; W412-L414 VanDerWaalsContact C-N 3.31Å; W412-L414 PolarHBondContact O-N 3.21Å; W412-Y415 AromaticContact CE3-CD1 3.84Å; W412-Y415 HydrophobicContact CE3-CD1 3.84Å; W412-Y415 HydrophobicContact CE3-CE1 4.49Å; W412-Y415 HydrophobicContact CH2-CD1 4.01Å; W412-Y415 HydrophobicContact CH2-CE1 4.05Å; W412-Y415 AromaticContact CZ3-CD1 3.46Å; W412-Y415 HydrophobicContact CZ3-CD1 3.46Å; W412-Y415 VanDerWaalsContact CZ3-CD1 3.46Å; W412-Y415 AromaticContact CZ3-CE1 3.69Å; W412-Y415 HydrophobicContact CZ3-CE1 3.69Å; W412-Y415 CarbonylContact O-C 3.57Å; W412-Y415 WeakPolarHBondContact O-CA 3.41Å; W412-Y415 WeakPolarHBondContact O-CB 3.43Å; W412-Y415 PolarHBondContact O-N 3.4Å; W412-Y415 VanDerWaalsContact O-N 3.1Å; W412-D416 HydrophobicContact CD2-CB 4.23Å; W412-D416 HydrophobicContact CH2-CB 4.43Å; W412-D416 HydrophobicContact CZ2-CB 3.79Å; W412-D416 WeakPolarHBondContact O-CB 3.33Å; W412-D416 PolarHBondContact O-N 3.41Å; W412-F441 HydrophobicContact CB-CD2 4.07Å; W412-F441 HydrophobicContact CB-CE2 4.36Å; W412-F441 HydrophobicContact CE3-CD2 4.24Å; W412-F441 AromaticContact CE3-CE2 3.71Å; W412-F441 HydrophobicContact CE3-CE2 3.71Å; W412-F441 AromaticContact CE3-CZ 3.9Å; W412-F441 HydrophobicContact CE3-CZ 3.9Å; W412-F441 HydrophobicContact CZ3-CE2 4.45Å; W412-F441 HydrophobicContact CZ3-CZ 4.22Å; W412-E444 HydrophobicContact CB-CB 3.81Å; W412-E444 HydrophobicContact CB-CG 4.48Å; W412-E444 HydrophobicContact CD2-CB 4.2Å; W412-E444 HydrophobicContact CG-CB 3.64Å; W412-R445 HydrophobicContact CE3-CB 3.67Å; W412-R445 HydrophobicContact CE3-CG 4.31Å; W412-R445 HydrophobicContact CH2-CB 3.86Å; W412-R445 HydrophobicContact CH2-CG 3.77Å; W412-R445 VanDerWaalsContact CZ3-CA 3.49Å; W412-R445 HydrophobicContact CZ3-CB 3.3Å; W412-R445 HydrophobicContact CZ3-CG 3.45Å; W412-R445 VanDerWaalsContact CZ3-CG 3.45Å; W412-A448 HydrophobicContact CH2-CB 4.24Å; W412-A448 HydrophobicContact CZ2-CB 3.42Å; W412-A448 VanDerWaalsContact CZ2-CB 3.42Å
413L67Low71.4Confident66 Ų6643 Ų4335%0.34623%0.234SC..Hα-helixtrans-59.4-43.2175.2178.370.3000111.7D409 T410 Y415 T417 Y418D409-L413 VanDerWaalsContact O-CB 3.28Å; D409-L413 WeakPolarHBondContact O-CB 3.36Å; D409-L413 PolarHBondContact O-N 3.22Å; T410-L413 PolarHBondContact O-N 2.65Å; L413-Y415 VanDerWaalsContact C-N 3.29Å; L413-Y415 PolarHBondContact O-N 3.13Å; L413-T417 HydrophobicContact CD1-CG2 4.27Å; L413-T417 WeakPolarHBondContact CD1-OG1 3.45Å; L413-T417 VanDerWaalsContact O-CB 3.31Å; L413-T417 WeakPolarHBondContact O-CB 3.45Å; L413-T417 PolarHBondContact O-N 2.89Å; L413-Y418 HydrophobicContact CD1-CE2 4.2Å; L413-Y418 HydrophobicContact CD2-CE2 4.15Å; L413-Y418 HydrophobicContact CG-CD2 4.26Å; L413-Y418 HydrophobicContact CG-CE2 3.83Å; L413-Y418 WeakPolarHBondContact O-CD2 3.17Å; L413-Y418 PolarHBondContact O-N 3.08Å
414L68.2Low71Confident2 Ų240.6 Ų40.61%0.0122%0.218CC..Hα-helixtrans-59.2-43.7174.5-76.8170.4000110.8I392 L393 T410 A411 W412 Y418 G419 F420 T425I392-L414 HydrophobicContact CB-CD2 4.23Å; I392-L414 HydrophobicContact CG2-CD2 3.89Å; L393-L414 HydrophobicContact CB-CD1 4.43Å; L393-L414 HydrophobicContact CD1-CD1 3.82Å; T410-L414 HydrophobicContact CG2-CD1 4.49Å; T410-L414 WeakPolarHBondContact O-CB 3.29Å; T410-L414 VanDerWaalsContact O-CG 3.25Å; T410-L414 WeakPolarHBondContact O-CG 3.17Å; T410-L414 PolarHBondContact O-N 2.84Å; A411-L414 PolarHBondContact O-N 3.11Å; W412-L414 VanDerWaalsContact C-N 3.31Å; W412-L414 PolarHBondContact O-N 3.21Å; L414-Y418 HydrophobicContact CD2-CD2 4.46Å; L414-Y418 CarbonylContact O-C 3.58Å; L414-Y418 WeakPolarHBondContact O-CB 3.34Å; L414-Y418 PolarHBondContact O-N 2.88Å; L414-G419 PolarHBondContact O-N 3.45Å; L414-F420 CarbonylContact C-O 3.56Å; L414-F420 HydrophobicContact CB-CB 4.11Å; L414-F420 HydrophobicContact CB-CD1 4.33Å; L414-F420 HydrophobicContact CD2-CB 4.47Å; L414-F420 HydrophobicContact CD2-CD1 4.47Å; L414-F420 WeakPolarHBondContact O-CA 3.37Å; L414-F420 VanDerWaalsContact O-CB 3.27Å; L414-F420 WeakPolarHBondContact O-CB 3.36Å; L414-F420 PolarHBondContact O-N 3.1Å; L414-T425 HydrophobicContact CD1-CG2 4.06Å
415Y67.3Low70.6Confident59 Ų5932.9 Ų32.923%0.23118%0.184CC..Hα-helixtrans-67.5-61.2177.7179.3-94.7000113.4Y322 A411 W412 L413 G419 F420 F441Y322-Y415 HydrophobicContact CE2-CE2 4.07Å; A411-Y415 WeakPolarHBondContact O-CB 3.19Å; A411-Y415 PolarHBondContact O-N 3.33Å; W412-Y415 AromaticContact CE3-CD1 3.84Å; W412-Y415 HydrophobicContact CE3-CD1 3.84Å; W412-Y415 HydrophobicContact CE3-CE1 4.49Å; W412-Y415 HydrophobicContact CH2-CD1 4.01Å; W412-Y415 HydrophobicContact CH2-CE1 4.05Å; W412-Y415 AromaticContact CZ3-CD1 3.46Å; W412-Y415 HydrophobicContact CZ3-CD1 3.46Å; W412-Y415 VanDerWaalsContact CZ3-CD1 3.46Å; W412-Y415 AromaticContact CZ3-CE1 3.69Å; W412-Y415 HydrophobicContact CZ3-CE1 3.69Å; W412-Y415 CarbonylContact O-C 3.57Å; W412-Y415 WeakPolarHBondContact O-CA 3.41Å; W412-Y415 WeakPolarHBondContact O-CB 3.43Å; W412-Y415 PolarHBondContact O-N 3.4Å; W412-Y415 VanDerWaalsContact O-N 3.1Å; L413-Y415 VanDerWaalsContact C-N 3.29Å; L413-Y415 PolarHBondContact O-N 3.13Å; Y415-G419 WeakPolarHBondContact O-CA 3.39Å; Y415-G419 PolarHBondContact O-N 3.29Å; Y415-F420 VanDerWaalsContact CA-O 3.23Å; Y415-F420 WeakPolarHBondContact CA-O 3.48Å; Y415-F420 PolarHBondContact N-O 2.89Å; Y415-F441 HydrophobicContact CD1-CE2 4.43Å; Y415-F441 HydrophobicContact CD1-CZ 4.25Å; Y415-F441 HydrophobicContact CD2-CZ 4.27Å; Y415-F441 HydrophobicContact CG-CE2 4.04Å; Y415-F441 HydrophobicContact CG-CZ 4.01Å
416D62.3Low70.2Confident99 Ų9931.9 Ų31.953%0.52918%0.181SC..Hα-helixtrans-73.8-47-170.1-178.863.3000112.8W412W412-D416 HydrophobicContact CD2-CB 4.23Å; W412-D416 HydrophobicContact CH2-CB 4.43Å; W412-D416 HydrophobicContact CZ2-CB 3.79Å; W412-D416 WeakPolarHBondContact O-CB 3.33Å; W412-D416 PolarHBondContact O-N 3.41Å
417T54.1Low69.5Low81 Ų8132.4 Ų32.450%0.49718%0.184SC..THydrogen-bonded Turntrans-87.3-34.1-174.9-61.40000112.9L413L413-T417 HydrophobicContact CD1-CG2 4.27Å; L413-T417 WeakPolarHBondContact CD1-OG1 3.45Å; L413-T417 VanDerWaalsContact O-CB 3.31Å; L413-T417 WeakPolarHBondContact O-CB 3.45Å; L413-T417 PolarHBondContact O-N 2.89Å
418Y54.2Low69.1Low75 Ų7530.6 Ų30.629%0.29417%0.171SC..THydrogen-bonded Turntrans-111.1-2.6-173.4-58.2-69.6000113.9T385 I392 L413 L414 F420T385-Y418 WeakPolarHBondContact CG2-O 3.33Å; I392-Y418 HydrophobicContact CD1-CD1 3.78Å; I392-Y418 HydrophobicContact CD1-CD2 4.15Å; I392-Y418 HydrophobicContact CD1-CE1 3.74Å; I392-Y418 HydrophobicContact CD1-CE2 4.11Å; I392-Y418 HydrophobicContact CD1-CG 3.98Å; L413-Y418 HydrophobicContact CD1-CE2 4.2Å; L413-Y418 HydrophobicContact CD2-CE2 4.15Å; L413-Y418 HydrophobicContact CG-CD2 4.26Å; L413-Y418 HydrophobicContact CG-CE2 3.83Å; L413-Y418 WeakPolarHBondContact O-CD2 3.17Å; L413-Y418 PolarHBondContact O-N 3.08Å; L414-Y418 HydrophobicContact CD2-CD2 4.46Å; L414-Y418 CarbonylContact O-C 3.58Å; L414-Y418 WeakPolarHBondContact O-CB 3.34Å; L414-Y418 PolarHBondContact O-N 2.88Å; Y418-F420 PolarHBondContact O-N 2.91Å
419G52.7Low69Low38 Ų3830.5 Ų30.539%0.39217%0.17SC..  trans65.120.1179.200000113.6R329 L414 Y415 P421R329-G419 PolarHBondContact NH1-O 3.04Å; L414-G419 PolarHBondContact O-N 3.45Å; Y415-G419 WeakPolarHBondContact O-CA 3.39Å; Y415-G419 PolarHBondContact O-N 3.29Å; G419-P421 WeakPolarHBondContact O-CD 3.29Å
420F65.7Low69Low0 Ų031.4 Ų31.40%017%0.171CC..  trans-91110.5-176.6-164.5-100.9000109.5L386 L393 L414 Y415 Y418 L424 T425 I428L386-F420 HydrophobicContact CD1-CE2 3.93Å; L386-F420 HydrophobicContact CD1-CZ 4.38Å; L393-F420 HydrophobicContact CD2-CE1 4.07Å; L414-F420 CarbonylContact C-O 3.56Å; L414-F420 HydrophobicContact CB-CB 4.11Å; L414-F420 HydrophobicContact CB-CD1 4.33Å; L414-F420 HydrophobicContact CD2-CB 4.47Å; L414-F420 HydrophobicContact CD2-CD1 4.47Å; L414-F420 WeakPolarHBondContact O-CA 3.37Å; L414-F420 VanDerWaalsContact O-CB 3.27Å; L414-F420 WeakPolarHBondContact O-CB 3.36Å; L414-F420 PolarHBondContact O-N 3.1Å; Y415-F420 VanDerWaalsContact CA-O 3.23Å; Y415-F420 WeakPolarHBondContact CA-O 3.48Å; Y415-F420 PolarHBondContact N-O 2.89Å; Y418-F420 PolarHBondContact O-N 2.91Å; F420-L424 HydrophobicContact CD2-CD2 4.29Å; F420-L424 HydrophobicContact CE1-CB 4.31Å; F420-L424 HydrophobicContact CE1-CD2 4.27Å; F420-L424 HydrophobicContact CE1-CG 4.33Å; F420-L424 HydrophobicContact CE2-CD2 3.58Å; F420-L424 HydrophobicContact CE2-CG 4.42Å; F420-L424 HydrophobicContact CZ-CB 4.36Å; F420-L424 HydrophobicContact CZ-CD2 3.56Å; F420-L424 HydrophobicContact CZ-CG 3.9Å; F420-T425 VanDerWaalsContact CD1-OG1 3.29Å; F420-T425 WeakPolarHBondContact CD1-OG1 3.47Å; F420-T425 WeakPolarHBondContact CE1-OG1 3.36Å; F420-I428 HydrophobicContact CE1-CD1 4.28Å; F420-I428 HydrophobicContact CZ-CD1 3.72Å
421P64.5Low68.9Low8 Ų835.3 Ų35.35%0.05219%0.189CC..  trans-61143.2-169.8-23.734.8000113.5R329 G419 D423 L424 T425R329-P421 VanDerWaalsContact NH1-CG 3.35Å; G419-P421 WeakPolarHBondContact O-CD 3.29Å; P421-D423 VanDerWaalsContact C-N 3.29Å; P421-D423 WeakPolarHBondContact CB-OD1 3.32Å; P421-D423 PolarHBondContact O-N 3.02Å; P421-L424 HydrophobicContact CB-CB 4.2Å; P421-L424 WeakPolarHBondContact O-CB 3.29Å; P421-L424 PolarHBondContact O-N 2.98Å; P421-T425 PolarHBondContact O-N 3.15Å; P421-T425 PolarHBondContact O-OG1 3.45Å; P421-T425 VanDerWaalsContact O-OG1 3.04Å
422V72.9Confident68.6Low16 Ų1640 Ų4010%0.09721%0.209CC..Hα-helixtrans-65-34.8-179.264.20000111.9A411 L424 T425 G426 V436 M438 F441A411-V422 HydrophobicContact CB-CG2 4.36Å; V422-L424 VanDerWaalsContact C-N 3.34Å; V422-L424 PolarHBondContact O-N 3.18Å; V422-T425 CarbonylContact O-C 3.58Å; V422-T425 VanDerWaalsContact O-CB 3.3Å; V422-T425 WeakPolarHBondContact O-CB 3.49Å; V422-T425 PolarHBondContact O-N 3.17Å; V422-G426 PolarHBondContact O-N 3.03Å; V422-V436 HydrophobicContact CG2-CG1 4.44Å; V422-M438 HydrophobicContact CG2-CE 4.12Å; V422-M438 HydrophobicContact CG2-SD 3.78Å; V422-F441 HydrophobicContact CB-CD2 4.27Å; V422-F441 HydrophobicContact CB-CE1 4.25Å; V422-F441 HydrophobicContact CB-CE2 3.74Å; V422-F441 HydrophobicContact CB-CZ 3.74Å; V422-F441 HydrophobicContact CG1-CE1 4.02Å; V422-F441 HydrophobicContact CG1-CE2 4.35Å; V422-F441 HydrophobicContact CG1-CZ 3.82Å; V422-F441 HydrophobicContact CG2-CD1 4.22Å; V422-F441 HydrophobicContact CG2-CD2 3.82Å; V422-F441 HydrophobicContact CG2-CE1 4.25Å; V422-F441 HydrophobicContact CG2-CE2 3.83Å; V422-F441 HydrophobicContact CG2-CG 4.02Å; V422-F441 HydrophobicContact CG2-CZ 4.06Å
423D66.4Low68.6Low20 Ų2041.1 Ų41.111%0.10723%0.231CC..Hα-helixtrans-64.6-38.8175.360.2-63.7000111.9R326 P421 T425 G426 L427R326-D423 WeakPolarHBondContact CD-OD2 3.46Å; R326-D423 WeakPolarHBondContact CG-OD2 3.3Å; R326-D423 IonicContact NE-OD1 3.99Å; R326-D423 IonicContact NE-OD2 2.87Å; R326-D423 PolarHBondContact NE-OD2 3.21Å; R326-D423 VanDerWaalsContact NE-OD2 3.09Å; P421-D423 VanDerWaalsContact C-N 3.29Å; P421-D423 WeakPolarHBondContact CB-OD1 3.32Å; P421-D423 PolarHBondContact O-N 3.02Å; D423-T425 VanDerWaalsContact C-N 3.32Å; D423-G426 PolarHBondContact O-N 2.74Å; D423-L427 WeakPolarHBondContact O-CG 3.2Å; D423-L427 PolarHBondContact O-N 3.09Å
424L69.9Low69.4Low2 Ų239.3 Ų39.31%0.0122%0.222CC..Hα-helixtrans-68.2-36.5174.9-16265.3000111.6F382 L386 F420 P421 V422 G426 I428F382-L424 HydrophobicContact CE2-CD2 3.62Å; F382-L424 HydrophobicContact CZ-CD2 3.58Å; L386-L424 HydrophobicContact CD1-CD2 3.94Å; F420-L424 HydrophobicContact CD2-CD2 4.29Å; F420-L424 HydrophobicContact CE1-CB 4.31Å; F420-L424 HydrophobicContact CE1-CD2 4.27Å; F420-L424 HydrophobicContact CE1-CG 4.33Å; F420-L424 HydrophobicContact CE2-CD2 3.58Å; F420-L424 HydrophobicContact CE2-CG 4.42Å; F420-L424 HydrophobicContact CZ-CB 4.36Å; F420-L424 HydrophobicContact CZ-CD2 3.56Å; F420-L424 HydrophobicContact CZ-CG 3.9Å; P421-L424 HydrophobicContact CB-CB 4.2Å; P421-L424 WeakPolarHBondContact O-CB 3.29Å; P421-L424 PolarHBondContact O-N 2.98Å; V422-L424 VanDerWaalsContact C-N 3.34Å; V422-L424 PolarHBondContact O-N 3.18Å; L424-G426 VanDerWaalsContact C-N 3.34Å; L424-I428 HydrophobicContact CG-CD1 4.19Å; L424-I428 WeakPolarHBondContact O-CD1 3.29Å; L424-I428 VanDerWaalsContact O-CG1 3.28Å; L424-I428 WeakPolarHBondContact O-CG1 3.44Å; L424-I428 PolarHBondContact O-N 3.2Å
425T74.9Confident70.2Confident0 Ų042 Ų420%024%0.244CC..Hα-helixtrans-62-44.4172.1-53.10000110.4L393 I406 L414 F420 P421 V422 D423 I428 A429 V436L393-T425 HydrophobicContact CD1-CG2 3.95Å; L393-T425 HydrophobicContact CD2-CG2 4.43Å; I406-T425 HydrophobicContact CD1-CG2 4.27Å; L414-T425 HydrophobicContact CD1-CG2 4.06Å; F420-T425 VanDerWaalsContact CD1-OG1 3.29Å; F420-T425 WeakPolarHBondContact CD1-OG1 3.47Å; F420-T425 WeakPolarHBondContact CE1-OG1 3.36Å; P421-T425 PolarHBondContact O-N 3.15Å; P421-T425 PolarHBondContact O-OG1 3.45Å; P421-T425 VanDerWaalsContact O-OG1 3.04Å; V422-T425 CarbonylContact O-C 3.58Å; V422-T425 VanDerWaalsContact O-CB 3.3Å; V422-T425 WeakPolarHBondContact O-CB 3.49Å; V422-T425 PolarHBondContact O-N 3.17Å; D423-T425 VanDerWaalsContact C-N 3.32Å; T425-I428 PolarHBondContact O-N 2.68Å; T425-A429 VanDerWaalsContact O-CB 3.25Å; T425-A429 WeakPolarHBondContact O-CB 3.29Å; T425-A429 PolarHBondContact O-N 2.96Å; T425-V436 HydrophobicContact CG2-CG2 3.96Å
426G75Confident70.9Confident24 Ų2440.2 Ų40.225%0.24724%0.239CC..Hα-helixtrans-59.3-50.4174.900000112.8V422 D423 L424 I428 A429 E430V422-G426 PolarHBondContact O-N 3.03Å; D423-G426 PolarHBondContact O-N 2.74Å; L424-G426 VanDerWaalsContact C-N 3.34Å; G426-I428 PolarHBondContact O-N 3.04Å; G426-A429 WeakPolarHBondContact O-CB 3.4Å; G426-A429 PolarHBondContact O-N 3.15Å; G426-E430 WeakPolarHBondContact O-CB 3.28Å; G426-E430 PolarHBondContact O-N 3.31Å
427L69.4Low72Confident12 Ų1238.4 Ų38.46%0.06323%0.23CC..Hα-helixtrans-61.1-42.6179.1-73.4170.5000112.7R330 D423 A429 E430 E431R330-L427 HydrophobicContact CG-CD1 4.42Å; D423-L427 WeakPolarHBondContact O-CG 3.2Å; D423-L427 PolarHBondContact O-N 3.09Å; L427-A429 VanDerWaalsContact C-N 3.32Å; L427-E430 PolarHBondContact O-N 2.92Å; L427-E431 WeakPolarHBondContact O-CG 3.31Å; L427-E431 PolarHBondContact O-N 3.16Å; L427-E431 VanDerWaalsContact O-N 3.17Å
428I75.8Confident73.2Confident6 Ų639 Ų393%0.03123%0.228CC..Hα-helixtrans-70.5-32.7178.1-65.7166.6000111.1L393 F420 L424 T425 G426L393-I428 HydrophobicContact CD2-CB 3.93Å; L393-I428 HydrophobicContact CD2-CD1 4.05Å; L393-I428 HydrophobicContact CD2-CG2 3.64Å; F420-I428 HydrophobicContact CE1-CD1 4.28Å; F420-I428 HydrophobicContact CZ-CD1 3.72Å; L424-I428 HydrophobicContact CG-CD1 4.19Å; L424-I428 WeakPolarHBondContact O-CD1 3.29Å; L424-I428 VanDerWaalsContact O-CG1 3.28Å; L424-I428 WeakPolarHBondContact O-CG1 3.44Å; L424-I428 PolarHBondContact O-N 3.2Å; T425-I428 PolarHBondContact O-N 2.68Å; G426-I428 PolarHBondContact O-N 3.04Å
429A79.1Confident74.5Confident0 Ų043.4 Ų43.40%025%0.251CS..Hα-helixtrans-64.1-48.5172.900000110.5I406 T425 G426 L427 E431 K432 G433 L434 V436I406-A429 HydrophobicContact CD1-CB 3.67Å; I406-A429 HydrophobicContact CG1-CB 4.42Å; T425-A429 VanDerWaalsContact O-CB 3.25Å; T425-A429 WeakPolarHBondContact O-CB 3.29Å; T425-A429 PolarHBondContact O-N 2.96Å; G426-A429 WeakPolarHBondContact O-CB 3.4Å; G426-A429 PolarHBondContact O-N 3.15Å; L427-A429 VanDerWaalsContact C-N 3.32Å; A429-E431 PolarHBondContact O-N 2.88Å; A429-K432 CarbonylContact O-C 3.38Å; A429-K432 WeakPolarHBondContact O-CA 3.3Å; A429-K432 PolarHBondContact O-N 2.63Å; A429-G433 PolarHBondContact O-N 2.9Å; A429-G433 VanDerWaalsContact O-N 3.17Å; A429-L434 CarbonylContact C-O 3.47Å; A429-L434 HydrophobicContact CB-CB 3.93Å; A429-L434 WeakPolarHBondContact CB-O 3.05Å; A429-L434 WeakPolarHBondContact O-CA 3.33Å; A429-L434 WeakPolarHBondContact O-CB 3.46Å; A429-L434 PolarHBondContact O-N 3.21Å; A429-L434 VanDerWaalsContact O-O 3.12Å; A429-V436 HydrophobicContact CB-CG2 4.06Å
430E77.6Confident75.8Confident109 Ų10942.3 Ų42.351%0.50924%0.239SC..Hα-helixtrans-58.6-44-178.7-167.7-179.7-171.900111.4K90 G426 L427 K432 G433 L434K90-E430 IonicContact NZ-OE1 2.75Å; K90-E430 PolarHBondContact NZ-OE1 3.18Å; K90-E430 IonicContact NZ-OE2 3.41Å; K90-E430 PolarHBondContact NZ-OE2 2.8Å; G426-E430 WeakPolarHBondContact O-CB 3.28Å; G426-E430 PolarHBondContact O-N 3.31Å; L427-E430 PolarHBondContact O-N 2.92Å; E430-K432 PolarHBondContact O-N 3.26Å; E430-K432 VanDerWaalsContact O-N 3.12Å; E430-G433 PolarHBondContact O-N 3.25Å; E430-L434 WeakPolarHBondContact CA-O 2.79Å; E430-L434 PolarHBondContact N-O 3.18Å
431E72.4Confident76.5Confident93 Ų9342.5 Ų42.544%0.43524%0.24SC..Hα-helixtrans-60-23.4175.4-75.5176.5-167.200114.1R333 L427 A429R333-E431 IonicContact CZ-OE1 3.15Å; R333-E431 IonicContact NH1-OE1 3.27Å; R333-E431 PolarHBondContact NH1-OE1 3.01Å; R333-E431 IonicContact NH2-OE1 3.3Å; R333-E431 PolarHBondContact NH2-OE1 2.74Å; R333-E431 IonicContact NH2-OE2 3.48Å; R333-E431 PolarHBondContact NH2-OE2 3.42Å; L427-E431 WeakPolarHBondContact O-CG 3.31Å; L427-E431 PolarHBondContact O-N 3.16Å; L427-E431 VanDerWaalsContact O-N 3.17Å; A429-E431 PolarHBondContact O-N 2.88Å
432K74.6Confident76.8Confident98 Ų9846 Ų4643%0.42626%0.256SS..THydrogen-bonded Turntrans-101.57.6176.6-66.8-177178.5-175.20112.7D394 I397 A429 E430 L434D394-K432 IonicContact OD1-NZ 3.27Å; D394-K432 PolarHBondContact OD1-NZ 2.62Å; I397-K432 HydrophobicContact CD1-CD 4Å; A429-K432 CarbonylContact O-C 3.38Å; A429-K432 WeakPolarHBondContact O-CA 3.3Å; A429-K432 PolarHBondContact O-N 2.63Å; E430-K432 PolarHBondContact O-N 3.26Å; E430-K432 VanDerWaalsContact O-N 3.12Å; K432-L434 VanDerWaalsContact C-N 3.34Å; K432-L434 HydrophobicContact CB-CD1 4.3Å; K432-L434 HydrophobicContact CB-CG 4.36Å
433G77.6Confident77.2Confident56 Ų5651.3 Ų51.358%0.57728%0.28SS*.THydrogen-bonded Turntrans71.326.2-177.800000114.1A429 E430A429-G433 PolarHBondContact O-N 2.9Å; A429-G433 VanDerWaalsContact O-N 3.17Å; E430-G433 PolarHBondContact O-N 3.25Å
434L83.8Confident77.7Confident28 Ų2854 Ų5415%0.14729%0.291CS..  trans-111.8153.4178.3-56.1172.9000110.4I397 S403 K404 A429 E430 K432I397-L434 HydrophobicContact CB-CD1 4.43Å; I397-L434 HydrophobicContact CD1-CD1 4.06Å; I397-L434 HydrophobicContact CG1-CD1 3.97Å; I397-L434 HydrophobicContact CG2-CD1 3.67Å; S403-L434 WeakPolarHBondContact O-CD2 3.47Å; K404-L434 CarbonylContact O-C 3.48Å; K404-L434 WeakPolarHBondContact O-CA 3.23Å; A429-L434 CarbonylContact C-O 3.47Å; A429-L434 HydrophobicContact CB-CB 3.93Å; A429-L434 WeakPolarHBondContact CB-O 3.05Å; A429-L434 WeakPolarHBondContact O-CA 3.33Å; A429-L434 WeakPolarHBondContact O-CB 3.46Å; A429-L434 PolarHBondContact O-N 3.21Å; A429-L434 VanDerWaalsContact O-O 3.12Å; E430-L434 WeakPolarHBondContact CA-O 2.79Å; E430-L434 PolarHBondContact N-O 3.18Å; K432-L434 VanDerWaalsContact C-N 3.34Å; K432-L434 HydrophobicContact CB-CD1 4.3Å; K432-L434 HydrophobicContact CB-CG 4.36Å
435A84.3Confident77.7Confident58 Ų5858.6 Ų58.648%0.47931%0.309SS..EExtended strand (participates in β ladder)trans-108.5163.1170.200000110.9K404 S405 I406K404-A435 PolarHBondContact O-N 2.8Å; S405-A435 CarbonylContact C-O 3.49Å; S405-A435 VanDerWaalsContact CA-O 3.32Å; S405-A435 WeakPolarHBondContact CA-O 3.21Å; I406-A435 PolarHBondContact N-O 3.34Å
436V82.9Confident77.4Confident21 Ų2165 Ų6513%0.12734%0.337CS..EExtended strand (participates in β ladder)trans-104.1134.2169.1177.10000108.4I406 A411 V422 T425 A429 M438I406-V436 HydrophobicContact CB-CG2 4.25Å; I406-V436 HydrophobicContact CD1-CG2 4.33Å; A411-V436 HydrophobicContact CB-CG1 3.73Å; V422-V436 HydrophobicContact CG2-CG1 4.44Å; T425-V436 HydrophobicContact CG2-CG2 3.96Å; A429-V436 HydrophobicContact CB-CG2 4.06Å; V436-M438 HydrophobicContact CB-SD 4.44Å; V436-M438 HydrophobicContact CG1-SD 4.07Å; V436-M438 PolarHBondContact O-N 3.36Å
437D84.5Confident77.2Confident62 Ų6266.9 Ų66.933%0.33234%0.341SS..  trans-71.791.3170.2174.216.4000110.1I406 G408 E439 G440 F441I406-D437 WeakPolarHBondContact O-CB 3.4Å; I406-D437 PolarHBondContact O-N 2.83Å; G408-D437 WeakPolarHBondContact CA-O 3Å; D437-E439 PolarHBondContact OD1-N 3.48Å; D437-G440 PolarHBondContact OD1-N 3.45Å; D437-F441 PolarHBondContact O-N 3.47Å
438M80Confident76.6Confident93 Ų9367.9 Ų67.946%0.45835%0.351SS..Hα-helixtrans-71.7-28.6-179-69-59-61.200112.9V422 V436 F441 E442V422-M438 HydrophobicContact CG2-CE 4.12Å; V422-M438 HydrophobicContact CG2-SD 3.78Å; V436-M438 HydrophobicContact CB-SD 4.44Å; V436-M438 HydrophobicContact CG1-SD 4.07Å; V436-M438 PolarHBondContact O-N 3.36Å; M438-F441 HydrophobicContact CE-CD1 4.36Å; M438-F441 PolarHBondContact O-N 3.34Å; M438-E442 PolarHBondContact O-N 3.03Å; M438-E442 VanDerWaalsContact O-N 3.07Å
439E80.2Confident75.3Confident168 Ų16872 Ų7279%0.78537%0.37SS*.Hα-helixtrans-67.5-48.5176.9-71.4-174.5170.500110.2D437 F441 E442 E443D437-E439 PolarHBondContact OD1-N 3.48Å; E439-F441 VanDerWaalsContact C-N 3.27Å; E439-F441 PolarHBondContact O-N 3.07Å; E439-E442 PolarHBondContact O-N 3.29Å; E439-E443 PolarHBondContact O-N 3.08Å
440G81.1Confident74.1Confident14 Ų1476.9 Ų76.914%0.14440%0.396CS..Hα-helixtrans-62.7-33.117500000113.2D437 E444D437-G440 PolarHBondContact OD1-N 3.45Å; G440-E444 PolarHBondContact O-N 3.03Å
441F79.2Confident72.8Confident4 Ų480.5 Ų80.52%0.01841%0.41CS..Hα-helixtrans-64.6-47175.2172.2-92.2000111.9A411 W412 Y415 V422 D437 M438 E439 E443 E444 R445A411-F441 HydrophobicContact CB-CD2 3.86Å; W412-F441 HydrophobicContact CB-CD2 4.07Å; W412-F441 HydrophobicContact CB-CE2 4.36Å; W412-F441 HydrophobicContact CE3-CD2 4.24Å; W412-F441 AromaticContact CE3-CE2 3.71Å; W412-F441 HydrophobicContact CE3-CE2 3.71Å; W412-F441 AromaticContact CE3-CZ 3.9Å; W412-F441 HydrophobicContact CE3-CZ 3.9Å; W412-F441 HydrophobicContact CZ3-CE2 4.45Å; W412-F441 HydrophobicContact CZ3-CZ 4.22Å; Y415-F441 HydrophobicContact CD1-CE2 4.43Å; Y415-F441 HydrophobicContact CD1-CZ 4.25Å; Y415-F441 HydrophobicContact CD2-CZ 4.27Å; Y415-F441 HydrophobicContact CG-CE2 4.04Å; Y415-F441 HydrophobicContact CG-CZ 4.01Å; V422-F441 HydrophobicContact CB-CD2 4.27Å; V422-F441 HydrophobicContact CB-CE1 4.25Å; V422-F441 HydrophobicContact CB-CE2 3.74Å; V422-F441 HydrophobicContact CB-CZ 3.74Å; V422-F441 HydrophobicContact CG1-CE1 4.02Å; V422-F441 HydrophobicContact CG1-CE2 4.35Å; V422-F441 HydrophobicContact CG1-CZ 3.82Å; V422-F441 HydrophobicContact CG2-CD1 4.22Å; V422-F441 HydrophobicContact CG2-CD2 3.82Å; V422-F441 HydrophobicContact CG2-CE1 4.25Å; V422-F441 HydrophobicContact CG2-CE2 3.83Å; V422-F441 HydrophobicContact CG2-CG 4.02Å; V422-F441 HydrophobicContact CG2-CZ 4.06Å; D437-F441 PolarHBondContact O-N 3.47Å; M438-F441 HydrophobicContact CE-CD1 4.36Å; M438-F441 PolarHBondContact O-N 3.34Å; E439-F441 VanDerWaalsContact C-N 3.27Å; E439-F441 PolarHBondContact O-N 3.07Å; F441-E443 VanDerWaalsContact C-N 3.33Å; F441-E444 PolarHBondContact O-N 3.44Å; F441-R445 WeakPolarHBondContact O-CB 3.47Å; F441-R445 PolarHBondContact O-N 3.06Å
442E72.3Confident71.2Confident82 Ų8280.1 Ų80.138%0.38342%0.418SS..Hα-helixtrans-69.3-31.7179.5-76.2-60.8155.800112.3M438 E439 R445 K446M438-E442 PolarHBondContact O-N 3.03Å; M438-E442 VanDerWaalsContact O-N 3.07Å; E439-E442 PolarHBondContact O-N 3.29Å; E442-R445 PolarHBondContact O-N 3.3Å; E442-R445 IonicContact OE1-NH1 2.92Å; E442-R445 PolarHBondContact OE1-NH1 2.71Å; E442-R445 WeakPolarHBondContact OE2-CD 3Å; E442-R445 IonicContact OE2-NH1 2.95Å; E442-R445 PolarHBondContact OE2-NH1 3.19Å; E442-K446 VanDerWaalsContact O-CB 3.29Å; E442-K446 WeakPolarHBondContact O-CB 3.45Å; E442-K446 PolarHBondContact O-N 3.41Å
443E80.6Confident69.5Low127 Ų12781.4 Ų81.459%0.59343%0.425SS*.Hα-helixtrans-62-47.7172.4-170.1175.5-176.500111.7E439 F441 K446 N447E439-E443 PolarHBondContact O-N 3.08Å; F441-E443 VanDerWaalsContact C-N 3.33Å; E443-K446 PolarHBondContact O-N 2.96Å; E443-N447 WeakPolarHBondContact O-CB 3.33Å; E443-N447 PolarHBondContact O-N 3.34Å; E443-N447 PolarHBondContact O-ND2 2.84Å
444E76.6Confident67.3Low76 Ų7682 Ų8236%0.35543%0.431SS..Hα-helixtrans-64.5-39.9176.2-73.9-62.9154.700112.5D409 W412 G440 F441 N447 A448D409-E444 HydrophobicContact CB-CG 4.33Å; W412-E444 HydrophobicContact CB-CB 3.81Å; W412-E444 HydrophobicContact CB-CG 4.48Å; W412-E444 HydrophobicContact CD2-CB 4.2Å; W412-E444 HydrophobicContact CG-CB 3.64Å; G440-E444 PolarHBondContact O-N 3.03Å; F441-E444 PolarHBondContact O-N 3.44Å; E444-N447 PolarHBondContact O-N 2.91Å; E444-A448 WeakPolarHBondContact O-CB 3.22Å; E444-A448 PolarHBondContact O-N 3.33Å
445R69.6Low65Low99 Ų9990.3 Ų90.337%0.37447%0.466SS..Hα-helixtrans-59.7-47.9173.7-180173.6169-159.71.3112.1W412 F441 E442 N447 A448 Q449W412-R445 HydrophobicContact CE3-CB 3.67Å; W412-R445 HydrophobicContact CE3-CG 4.31Å; W412-R445 HydrophobicContact CH2-CB 3.86Å; W412-R445 HydrophobicContact CH2-CG 3.77Å; W412-R445 VanDerWaalsContact CZ3-CA 3.49Å; W412-R445 HydrophobicContact CZ3-CB 3.3Å; W412-R445 HydrophobicContact CZ3-CG 3.45Å; W412-R445 VanDerWaalsContact CZ3-CG 3.45Å; F441-R445 WeakPolarHBondContact O-CB 3.47Å; F441-R445 PolarHBondContact O-N 3.06Å; E442-R445 PolarHBondContact O-N 3.3Å; E442-R445 IonicContact OE1-NH1 2.92Å; E442-R445 PolarHBondContact OE1-NH1 2.71Å; E442-R445 WeakPolarHBondContact OE2-CD 3Å; E442-R445 IonicContact OE2-NH1 2.95Å; E442-R445 PolarHBondContact OE2-NH1 3.19Å; R445-N447 VanDerWaalsContact C-N 3.33Å; R445-N447 PolarHBondContact O-N 3.35Å; R445-A448 PolarHBondContact O-N 3.49Å; R445-Q449 WeakPolarHBondContact O-CB 3.29Å; R445-Q449 PolarHBondContact O-N 2.84Å
446K69.8Low62.6Low136 Ų13691.5 Ų91.559%0.59148%0.484SS*.Hα-helixtrans-62.7-41.7177.9-173.2178.8179.5-179.60111E442 E443 A448 Q449 L450E442-K446 VanDerWaalsContact O-CB 3.29Å; E442-K446 WeakPolarHBondContact O-CB 3.45Å; E442-K446 PolarHBondContact O-N 3.41Å; E443-K446 PolarHBondContact O-N 2.96Å; K446-A448 PolarHBondContact O-N 3.06Å; K446-Q449 PolarHBondContact O-N 2.8Å; K446-L450 HydrophobicContact CG-CD1 4.13Å; K446-L450 WeakPolarHBondContact O-CB 3.08Å; K446-L450 VanDerWaalsContact O-CG 3.3Å; K446-L450 WeakPolarHBondContact O-CG 3.35Å; K446-L450 PolarHBondContact O-N 3.13Å
447N70.4Confident60.1Low62 Ų6295.9 Ų95.933%0.33252%0.522SS..Hα-helixtrans-62.8-38.8176-74.4-25.8000112.6E443 E444 R445 K451E443-N447 WeakPolarHBondContact O-CB 3.33Å; E443-N447 PolarHBondContact O-N 3.34Å; E443-N447 PolarHBondContact O-ND2 2.84Å; E444-N447 PolarHBondContact O-N 2.91Å; R445-N447 VanDerWaalsContact C-N 3.33Å; R445-N447 PolarHBondContact O-N 3.35Å; N447-K451 WeakPolarHBondContact O-CG 3.48Å; N447-K451 PolarHBondContact O-N 3.45Å
448A56.4Low57.4Low33 Ų3397.2 Ų97.227%0.27355%0.55SS.*Hα-helixtrans-68.7-39.9173.200000112.2W412 E444 R445 K446 K451 S452W412-A448 HydrophobicContact CH2-CB 4.24Å; W412-A448 HydrophobicContact CZ2-CB 3.42Å; W412-A448 VanDerWaalsContact CZ2-CB 3.42Å; E444-A448 WeakPolarHBondContact O-CB 3.22Å; E444-A448 PolarHBondContact O-N 3.33Å; R445-A448 PolarHBondContact O-N 3.49Å; K446-A448 PolarHBondContact O-N 3.06Å; A448-K451 PolarHBondContact O-N 3.44Å; A448-S452 PolarHBondContact O-N 2.93Å
449Q48Very low55.1Low93 Ų9396.2 Ų96.244%0.43556%0.564SS.*Hα-helixtrans-68.5-41.5179.8-167.4156.611.700112.3R445 K446 K451 S452 Q453R445-Q449 WeakPolarHBondContact O-CB 3.29Å; R445-Q449 PolarHBondContact O-N 2.84Å; K446-Q449 PolarHBondContact O-N 2.8Å; Q449-K451 VanDerWaalsContact C-N 3.27Å; Q449-K451 PolarHBondContact O-N 3.44Å; Q449-S452 WeakPolarHBondContact CA-OG 3.17Å; Q449-S452 CarbonylContact O-C 3.54Å; Q449-S452 WeakPolarHBondContact O-CA 3.4Å; Q449-S452 WeakPolarHBondContact O-CB 3.38Å; Q449-S452 PolarHBondContact O-N 3.44Å; Q449-S452 PolarHBondContact O-OG 2.81Å; Q449-Q453 HydrophobicContact CG-CG 4.4Å; Q449-Q453 WeakPolarHBondContact O-CG 3.42Å; Q449-Q453 PolarHBondContact O-N 2.97Å
450L53.6Low53.4Low103 Ų10396 Ų9654%0.53956%0.563SS.*Hα-helixtrans-60.9-34.7174-73.6167.9000112.3K446 S452K446-L450 HydrophobicContact CG-CD1 4.13Å; K446-L450 WeakPolarHBondContact O-CB 3.08Å; K446-L450 VanDerWaalsContact O-CG 3.3Å; K446-L450 WeakPolarHBondContact O-CG 3.35Å; K446-L450 PolarHBondContact O-N 3.13Å; L450-S452 VanDerWaalsContact C-N 3.26Å; L450-S452 PolarHBondContact O-N 2.97Å
451K50.5Low52.4Low184 Ų18499.3 Ų99.380%0.858%0.577SS**Hα-helixtrans-69.4-22.4172.6-72170.4-175.9168.90113.1N447 A448 Q449N447-K451 WeakPolarHBondContact O-CG 3.48Å; N447-K451 PolarHBondContact O-N 3.45Å; A448-K451 PolarHBondContact O-N 3.44Å; Q449-K451 VanDerWaalsContact C-N 3.27Å; Q449-K451 PolarHBondContact O-N 3.44Å
452S39.1Very low51.7Low86 Ų86103.2 Ų103.260%0.60160%0.598SS**Hα-helixtrans-94.3-17.3179.977.10000114.7A448 Q449 L450 G454A448-S452 PolarHBondContact O-N 2.93Å; Q449-S452 WeakPolarHBondContact CA-OG 3.17Å; Q449-S452 CarbonylContact O-C 3.54Å; Q449-S452 WeakPolarHBondContact O-CA 3.4Å; Q449-S452 WeakPolarHBondContact O-CB 3.38Å; Q449-S452 PolarHBondContact O-N 3.44Å; Q449-S452 PolarHBondContact O-OG 2.81Å; L450-S452 VanDerWaalsContact C-N 3.26Å; L450-S452 PolarHBondContact O-N 2.97Å; S452-G454 PolarHBondContact O-N 2.89Å
453Q38.1Very low52.1Low125 Ų12599.8 Ų99.858%0.58458%0.582SS**  trans-79.526.1-173.4-84.1-175.3-0.900115.6Q449 K455Q449-Q453 HydrophobicContact CG-CG 4.4Å; Q449-Q453 WeakPolarHBondContact O-CG 3.42Å; Q449-Q453 PolarHBondContact O-N 2.97Å; Q453-K455 PolarHBondContact O-N 2.89Å
454G33.1Very low52.1Low67 Ų6796 Ų9669%0.69157%0.565SS**  trans-77.660.5162.400000111.9S452S452-G454 PolarHBondContact O-N 2.89Å
455K34Very low52.3Low203 Ų20392.9 Ų92.988%0.88355%0.551SS**SBendtrans165.4100.5158.2-93.2161.1-173.8-173.90113.2Q453Q453-K455 PolarHBondContact O-N 2.89Å
456G35.4Very low52.5Low84 Ų8491 Ų9187%0.86655%0.549SS*.  trans63.7103.8136.600000121.5
457A29.1Very low52.4Low113 Ų11387.5 Ų87.593%0.93454%0.535SS*.  178.5134.4129.400000110.1
458G29.4Very low52.5Low89 Ų8988.4 Ų88.492%0.91854%0.535SS*.  trans144.972.6168.300000114.6
459G31.2Very low53.7Low73 Ų7386.9 Ų86.975%0.75352%0.522SS*.  trans-131.7122.9162.900000108.5D461G459-D461 PolarHBondContact O-N 3.31Å
460E43.7Very low55.3Low162 Ų16283.2 Ų83.276%0.75751%0.506SS*.  trans-61.5124.8173.9-70.5-177.9164.500110.2L462E460-L462 PolarHBondContact O-N 2.91Å
461D59.9Low56.2Low84 Ų8482.1 Ų82.145%0.44950%0.498SS..  trans-83.596.2-177.4-163.5-17.4000110.8G459 L463 M464G459-D461 PolarHBondContact O-N 3.31Å; D461-L463 PolarHBondContact O-N 3.15Å; D461-L463 VanDerWaalsContact O-N 3.15Å; D461-L463 PolarHBondContact OD1-N 2.76Å; D461-M464 HydrophobicContact CB-CG 3.78Å; D461-M464 PolarHBondContact O-N 2.93Å; D461-M464 WeakPolarHBondContact OD2-CG 3.29Å
462L65.4Low57.8Low86 Ų8677 Ų7745%0.4548%0.476SS..THydrogen-bonded Turntrans-65.8-10.5-175-62.3174.9000114.4E460 K513E460-L462 PolarHBondContact O-N 2.91Å; L462-K513 HydrophobicContact CD2-CD 4.44Å; L462-K513 VanDerWaalsContact CD2-CE 3.5Å; L462-K513 HydrophobicContact CD2-CG 4.47Å; L462-K513 WeakPolarHBondContact O-CG 3.3Å; L462-K513 PolarHBondContact O-N 3.43Å; L462-K513 VanDerWaalsContact O-N 3.12Å
463L80.1Confident60.2Low10 Ų1072.9 Ų72.95%0.05245%0.448CS..THydrogen-bonded Turntrans-101.2-16.5-175.6-65.5174.4000113.4D461 R510 E524 L574 I576D461-L463 PolarHBondContact O-N 3.15Å; D461-L463 VanDerWaalsContact O-N 3.15Å; D461-L463 PolarHBondContact OD1-N 2.76Å; L463-R510 WeakPolarHBondContact O-CD 3.4Å; L463-R510 PolarHBondContact O-NE 3.39Å; L463-E524 HydrophobicContact CD1-CB 4.42Å; L463-E524 HydrophobicContact CD1-CG 3.72Å; L463-L574 VanDerWaalsContact O-CD2 3.31Å; L463-L574 WeakPolarHBondContact O-CD2 3.41Å; L463-I576 HydrophobicContact CD1-CG2 3.74Å
464M80.9Confident62.4Low47 Ų4770.3 Ų70.323%0.23243%0.433CS..SBendtrans-61.7148.9-177.7-71-65.6-10600112.5D461 D466 R510 Q567 I576D461-M464 HydrophobicContact CB-CG 3.78Å; D461-M464 PolarHBondContact O-N 2.93Å; D461-M464 WeakPolarHBondContact OD2-CG 3.29Å; M464-D466 PolarHBondContact O-N 3.21Å; M464-R510 PolarHBondContact O-NE 3.2Å; M464-R510 VanDerWaalsContact O-NE 3.1Å; M464-R510 PolarHBondContact O-NH2 3.29Å; M464-Q567 HydrophobicContact CE-CB 4.24Å; M464-Q567 HydrophobicContact CE-CG 3.92Å; M464-Q567 HydrophobicContact SD-CB 4.24Å; M464-Q567 HydrophobicContact SD-CG 4.04Å; M464-I576 HydrophobicContact SD-CD1 4.17Å
465L80.8Confident64.7Low12 Ų1271.1 Ų71.16%0.06343%0.433CS..  trans-78.4101174.1-64.7177000109.1A469 I470 L473 F515 I528 R569 L574L465-A469 HydrophobicContact CB-CB 4.42Å; L465-A469 HydrophobicContact CD2-CB 3.85Å; L465-I470 HydrophobicContact CB-CD1 4.46Å; L465-I470 HydrophobicContact CB-CG1 4.05Å; L465-L473 HydrophobicContact CD1-CD1 4.39Å; L465-L473 HydrophobicContact CD2-CD1 4.23Å; L465-F515 HydrophobicContact CD2-CE1 4.25Å; L465-F515 HydrophobicContact CD2-CZ 3.84Å; L465-I528 HydrophobicContact CD1-CD1 3.98Å; L465-I528 HydrophobicContact CD2-CD1 4.16Å; L465-R569 HydrophobicContact CB-CB 4.1Å; L465-R569 HydrophobicContact CD1-CB 4.49Å; L465-L574 HydrophobicContact CD1-CB 4.27Å; L465-L574 HydrophobicContact CD1-CD1 4.48Å; L465-L574 HydrophobicContact CD2-CD1 4.39Å; L465-L574 HydrophobicContact CG-CD1 4.32Å; L465-L574 HydrophobicContact CG-CD2 4.23Å
466D72.8Confident67.2Low60 Ų6066.6 Ų66.632%0.32141%0.41SS..  trans-78.41771676243000111.2M464 Y468 A469 I470 R510M464-D466 PolarHBondContact O-N 3.21Å; D466-Y468 VanDerWaalsContact C-N 3.27Å; D466-Y468 PolarHBondContact O-N 3.11Å; D466-Y468 WeakPolarHBondContact OD1-CB 3.34Å; D466-Y468 PolarHBondContact OD1-N 2.88Å; D466-Y468 VanDerWaalsContact OD1-N 3.09Å; D466-A469 WeakPolarHBondContact O-CB 3.48Å; D466-A469 PolarHBondContact O-N 3.06Å; D466-A469 WeakPolarHBondContact OD1-CB 3.36Å; D466-A469 PolarHBondContact OD1-N 3.33Å; D466-I470 WeakPolarHBondContact O-CG1 3.44Å; D466-I470 PolarHBondContact O-N 3.23Å; D466-I470 VanDerWaalsContact O-N 3.11Å; D466-R510 IonicContact OD1-NH2 2.98Å; D466-R510 IonicContact OD2-NH2 2.75Å; D466-R510 PolarHBondContact OD2-NH2 3.38Å; D466-R510 VanDerWaalsContact OD2-NH2 3.16Å
467I68.8Low69.7Low61 Ų6165.4 Ų65.431%0.31340%0.398SS..Hα-helixtrans-59-39.8-176.1-57.2174.6000111.3L54 T56 I470 E471L54-I467 HydrophobicContact CB-CD1 4.49Å; L54-I467 HydrophobicContact CD1-CD1 4.37Å; L54-I467 HydrophobicContact CD2-CD1 4.16Å; T56-I467 HydrophobicContact CG2-CD1 4.34Å; T56-I467 HydrophobicContact CG2-CG1 4.01Å; I467-I470 PolarHBondContact O-N 3.32Å; I467-E471 PolarHBondContact O-N 2.63Å
468Y73.1Confident72.6Confident81 Ų8162 Ų6232%0.31836%0.364SS..Hα-helixtrans-68.8-38.6179.9-58.9-72.9000111.7E225 K231 D466 I470 E471 E472E225-Y468 WeakPolarHBondContact OE1-CE2 3.41Å; E225-Y468 PolarHBondContact OE1-OH 3.5Å; K231-Y468 HydrophobicContact CB-CE1 4.37Å; K231-Y468 WeakPolarHBondContact CB-OH 3.5Å; K231-Y468 HydrophobicContact CD-CE1 3.59Å; K231-Y468 HydrophobicContact CD-CE2 4.19Å; K231-Y468 WeakPolarHBondContact CD-OH 3.33Å; K231-Y468 VanDerWaalsContact CE-CZ 3.48Å; K231-Y468 WeakPolarHBondContact CE-OH 3.38Å; K231-Y468 HydrophobicContact CG-CE1 4.46Å; K231-Y468 WeakPolarHBondContact CG-OH 3.45Å; D466-Y468 VanDerWaalsContact C-N 3.27Å; D466-Y468 PolarHBondContact O-N 3.11Å; D466-Y468 WeakPolarHBondContact OD1-CB 3.34Å; D466-Y468 PolarHBondContact OD1-N 2.88Å; D466-Y468 VanDerWaalsContact OD1-N 3.09Å; Y468-I470 VanDerWaalsContact C-N 3.35Å; Y468-E471 PolarHBondContact O-N 2.98Å; Y468-E472 VanDerWaalsContact O-CB 3.29Å; Y468-E472 WeakPolarHBondContact O-CB 3.41Å; Y468-E472 PolarHBondContact O-N 3.41Å
469A81.9Confident75.6Confident1 Ų166.1 Ų66.11%0.00836%0.359CS..Hα-helixtrans-61.6-44.7176.500000111.6L465 D466 E472 L473 F515L465-A469 HydrophobicContact CB-CB 4.42Å; L465-A469 HydrophobicContact CD2-CB 3.85Å; D466-A469 WeakPolarHBondContact O-CB 3.48Å; D466-A469 PolarHBondContact O-N 3.06Å; D466-A469 WeakPolarHBondContact OD1-CB 3.36Å; D466-A469 PolarHBondContact OD1-N 3.33Å; A469-E472 PolarHBondContact O-N 3.46Å; A469-L473 VanDerWaalsContact O-CG 3.27Å; A469-L473 WeakPolarHBondContact O-CG 3.32Å; A469-L473 PolarHBondContact O-N 2.95Å; A469-L473 VanDerWaalsContact O-N 3.07Å; A469-F515 HydrophobicContact CB-CE2 3.9Å; A469-F515 HydrophobicContact CB-CZ 3.98Å; A469-F515 WeakPolarHBondContact O-CE2 3.41Å
470I80.1Confident78.5Confident17 Ų1766.8 Ų66.89%0.08735%0.349CS..Hα-helixtrans-66.1-43.3179.3-64169.2000110.6L465 D466 I467 Y468 L473 R474 R569 Y572L465-I470 HydrophobicContact CB-CD1 4.46Å; L465-I470 HydrophobicContact CB-CG1 4.05Å; D466-I470 WeakPolarHBondContact O-CG1 3.44Å; D466-I470 PolarHBondContact O-N 3.23Å; D466-I470 VanDerWaalsContact O-N 3.11Å; I467-I470 PolarHBondContact O-N 3.32Å; Y468-I470 VanDerWaalsContact C-N 3.35Å; I470-L473 WeakPolarHBondContact O-CB 3.48Å; I470-L473 PolarHBondContact O-N 3.45Å; I470-R474 WeakPolarHBondContact O-CG 3.41Å; I470-R474 PolarHBondContact O-N 3.43Å; I470-R569 HydrophobicContact CD1-CB 4.06Å; I470-Y572 HydrophobicContact CG2-CD2 4.32Å; I470-Y572 HydrophobicContact CG2-CE2 4.05Å
471E72.3Confident81Confident79 Ų7959.5 Ų59.537%0.36932%0.315SS..Hα-helixtrans-65.8-39.2177.6-170.161.6-161.700111.8I467 Y468 L473 R474 A475I467-E471 PolarHBondContact O-N 2.63Å; Y468-E471 PolarHBondContact O-N 2.98Å; E471-L473 VanDerWaalsContact C-N 3.32Å; E471-L473 PolarHBondContact O-N 3.36Å; E471-R474 PolarHBondContact O-N 3.05Å; E471-A475 VanDerWaalsContact O-CB 3.27Å; E471-A475 WeakPolarHBondContact O-CB 3.45Å; E471-A475 PolarHBondContact O-N 2.83Å
472E85.8Confident82.8Confident76 Ų7659.3 Ų59.336%0.35531%0.314SS..Hα-helixtrans-61.2-40.3174.7-171.5-179.5160.900111.6Y468 A469 A475 R476 F515Y468-E472 VanDerWaalsContact O-CB 3.29Å; Y468-E472 WeakPolarHBondContact O-CB 3.41Å; Y468-E472 PolarHBondContact O-N 3.41Å; A469-E472 PolarHBondContact O-N 3.46Å; E472-A475 PolarHBondContact O-N 3.15Å; E472-R476 WeakPolarHBondContact O-CB 3.44Å; E472-R476 WeakPolarHBondContact O-CG 3.35Å; E472-R476 PolarHBondContact O-N 3.46Å; E472-R476 IonicContact OE1-CZ 2.63Å; E472-R476 IonicContact OE1-NE 3.42Å; E472-R476 PolarHBondContact OE1-NE 3.07Å; E472-R476 IonicContact OE1-NH2 3.94Å; E472-R476 PolarHBondContact OE1-NH2 3.16Å; E472-F515 HydrophobicContact CB-CD2 4.45Å; E472-F515 HydrophobicContact CB-CE2 4.25Å; E472-F515 HydrophobicContact CG-CD2 4.2Å; E472-F515 HydrophobicContact CG-CE2 4.48Å
473L89Confident84.2Confident0 Ų056.9 Ų56.90%030%0.302CS..Hα-helixtrans-62.9-46.4174.1-67.3166.5000111.7L465 A469 I470 E471 R476 G477 L478 A508 F515 I528 Y572L465-L473 HydrophobicContact CD1-CD1 4.39Å; L465-L473 HydrophobicContact CD2-CD1 4.23Å; A469-L473 VanDerWaalsContact O-CG 3.27Å; A469-L473 WeakPolarHBondContact O-CG 3.32Å; A469-L473 PolarHBondContact O-N 2.95Å; A469-L473 VanDerWaalsContact O-N 3.07Å; I470-L473 WeakPolarHBondContact O-CB 3.48Å; I470-L473 PolarHBondContact O-N 3.45Å; E471-L473 VanDerWaalsContact C-N 3.32Å; E471-L473 PolarHBondContact O-N 3.36Å; L473-R476 WeakPolarHBondContact O-CB 3.22Å; L473-R476 PolarHBondContact O-N 3.16Å; L473-G477 PolarHBondContact O-N 3.4Å; L473-L478 HydrophobicContact CD2-CD2 3.61Å; L473-L478 WeakPolarHBondContact O-CB 3.12Å; L473-L478 PolarHBondContact O-N 3.14Å; L473-L478 VanDerWaalsContact O-N 3.1Å; L473-A508 HydrophobicContact CD2-CB 3.63Å; L473-F515 HydrophobicContact CD1-CE1 4.28Å; L473-F515 HydrophobicContact CD1-CZ 3.71Å; L473-F515 HydrophobicContact CD2-CD1 4.34Å; L473-F515 HydrophobicContact CD2-CE1 3.69Å; L473-F515 HydrophobicContact CD2-CE2 4.19Å; L473-F515 HydrophobicContact CD2-CZ 3.61Å; L473-F515 HydrophobicContact CG-CE1 4.12Å; L473-F515 HydrophobicContact CG-CE2 3.98Å; L473-F515 HydrophobicContact CG-CZ 3.51Å; L473-I528 HydrophobicContact CD1-CD1 3.4Å; L473-I528 HydrophobicContact CD2-CD1 3.92Å; L473-I528 HydrophobicContact CG-CD1 4.32Å; L473-Y572 HydrophobicContact CB-CE1 4.2Å; L473-Y572 HydrophobicContact CB-CE2 4.07Å; L473-Y572 HydrophobicContact CD1-CD1 4.19Å; L473-Y572 HydrophobicContact CD1-CD2 3.92Å; L473-Y572 HydrophobicContact CD1-CE1 4.4Å; L473-Y572 HydrophobicContact CD1-CE2 4.14Å; L473-Y572 HydrophobicContact CD1-CG 3.94Å
474R83.3Confident84.8Confident72 Ų7259.3 Ų59.327%0.27232%0.319SS..Hα-helixtrans-63-42.5177.2-70.9175.8178.3173-1.3112N55 I470 E471 R476 G477 Y572N55-R474 PolarHBondContact O-NH1 2.74Å; N55-R474 VanDerWaalsContact O-NH1 3.12Å; I470-R474 WeakPolarHBondContact O-CG 3.41Å; I470-R474 PolarHBondContact O-N 3.43Å; E471-R474 PolarHBondContact O-N 3.05Å; R474-R476 VanDerWaalsContact C-N 3.29Å; R474-R476 PolarHBondContact O-N 3.48Å; R474-G477 WeakPolarHBondContact O-CA 3.45Å; R474-G477 PolarHBondContact O-N 2.86Å; R474-Y572 HydrophobicContact CG-CE2 4.37Å; R474-Y572 WeakPolarHBondContact CG-OH 3.41Å
475A81Confident85.5Confident83 Ų8358.2 Ų58.269%0.68632%0.316SS*.Hα-helixtrans-65.2-31.4177.400000112.6E471 E472 G477E471-A475 VanDerWaalsContact O-CB 3.27Å; E471-A475 WeakPolarHBondContact O-CB 3.45Å; E471-A475 PolarHBondContact O-N 2.83Å; E472-A475 PolarHBondContact O-N 3.15Å; A475-G477 PolarHBondContact O-N 3.14Å
476R87.9Confident86.2Confident108 Ų10858 Ų5841%0.40832%0.315SS..THydrogen-bonded Turntrans-72.1-4.9169.5-70.4168.4-177.7-129.43.6113.1E472 L473 R474 L478 E517E472-R476 WeakPolarHBondContact O-CB 3.44Å; E472-R476 WeakPolarHBondContact O-CG 3.35Å; E472-R476 PolarHBondContact O-N 3.46Å; E472-R476 IonicContact OE1-CZ 2.63Å; E472-R476 IonicContact OE1-NE 3.42Å; E472-R476 PolarHBondContact OE1-NE 3.07Å; E472-R476 IonicContact OE1-NH2 3.94Å; E472-R476 PolarHBondContact OE1-NH2 3.16Å; L473-R476 WeakPolarHBondContact O-CB 3.22Å; L473-R476 PolarHBondContact O-N 3.16Å; R474-R476 VanDerWaalsContact C-N 3.29Å; R474-R476 PolarHBondContact O-N 3.48Å; R476-L478 VanDerWaalsContact C-N 3.34Å; R476-L478 HydrophobicContact CB-CD1 4.46Å; R476-E517 IonicContact NH1-OE1 3.55Å
477G86.9Confident87.3Confident60 Ų6057.6 Ų57.662%0.61931%0.309SS*.THydrogen-bonded Turntrans73.922.1-178.600000113.9L473 R474 A475 E479L473-G477 PolarHBondContact O-N 3.4Å; R474-G477 WeakPolarHBondContact O-CA 3.45Å; R474-G477 PolarHBondContact O-N 2.86Å; A475-G477 PolarHBondContact O-N 3.14Å; G477-E479 PolarHBondContact O-N 3.4Å
478L90.7Very high88.4Confident40 Ų4058.4 Ų58.421%0.20932%0.32CS..PPolyproline II helixtrans-74.6122.1176.5-110.566.2000110.5L473 R476 K507 A508 Y572L473-L478 HydrophobicContact CD2-CD2 3.61Å; L473-L478 WeakPolarHBondContact O-CB 3.12Å; L473-L478 PolarHBondContact O-N 3.14Å; L473-L478 VanDerWaalsContact O-N 3.1Å; R476-L478 VanDerWaalsContact C-N 3.34Å; R476-L478 HydrophobicContact CB-CD1 4.46Å; L478-K507 HydrophobicContact CD2-CB 3.68Å; L478-K507 HydrophobicContact CG-CB 4.08Å; L478-A508 HydrophobicContact CD2-CB 3.98Å; L478-Y572 HydrophobicContact CB-CE1 4.24Å; L478-Y572 PolarHBondContact O-OH 3.5Å
479E91.9Very high89.4Confident176 Ų17656.1 Ų56.182%0.82231%0.311SS*.PPolyproline II helixtrans-64.8154.1169.1-62.3-175.5162.100111.2G477 Y572G477-E479 PolarHBondContact O-N 3.4Å; E479-Y572 VanDerWaalsContact O-CE1 3.3Å; E479-Y572 WeakPolarHBondContact O-CE1 3.33Å
480V92.8Very high90Very high88 Ų8858.7 Ų58.753%0.53333%0.332SS..PPolyproline II helixtrans-62.9153174.7-66.30000110.7D482 G571V480-D482 PolarHBondContact O-N 3.04Å; V480-G571 WeakPolarHBondContact CB-O 3.49Å
481T96.2Very high90.6Very high9 Ų959.2 Ų59.26%0.05534%0.338CS..PPolyproline II helixtrans-71.3128.3-177.7-55.90000110.4D483 L529 D530 T532 G571 V573T481-D483 PolarHBondContact O-N 3.26Å; T481-L529 WeakPolarHBondContact CG2-O 3.29Å; T481-L529 PolarHBondContact OG1-O 3.05Å; T481-D530 CarbonylContact C-O 3.54Å; T481-D530 WeakPolarHBondContact CA-O 3.5Å; T481-T532 HydrophobicContact CG2-CG2 3.89Å; T481-G571 PolarHBondContact N-O 3.18Å; T481-G571 VanDerWaalsContact N-O 3.1Å; T481-V573 HydrophobicContact CG2-CB 3.95Å; T481-V573 HydrophobicContact CG2-CG2 4.02Å; T481-V573 PolarHBondContact OG1-N 3.16Å
482D96.6Very high91.5Very high79 Ų7958.8 Ų58.842%0.42234%0.338SS..BIsolated β-bridgetrans-76.3101168.9177.516.4000110.2V480 S484 P485 D530 C531 T532V480-D482 PolarHBondContact O-N 3.04Å; D482-S484 VanDerWaalsContact OD1-CB 3.22Å; D482-S484 WeakPolarHBondContact OD1-CB 3.48Å; D482-S484 PolarHBondContact OD1-N 3.22Å; D482-S484 PolarHBondContact OD1-OG 3.1Å; D482-S484 PolarHBondContact OD2-OG 3.01Å; D482-P485 WeakPolarHBondContact O-CD 3.21Å; D482-D530 PolarHBondContact N-O 3.44Å; D482-C531 HydrophobicContact CB-CB 4.07Å; D482-C531 CarbonylContact O-C 3.48Å; D482-C531 WeakPolarHBondContact O-CA 3.34Å; D482-C531 WeakPolarHBondContact O-CB 3.44Å; D482-T532 PolarHBondContact O-N 2.81Å
483D94.9Very high91.6Very high36 Ų3661.6 Ų61.619%0.19336%0.362CS..  trans-1009.3178.276.9-0.3000113.1T481 P485 K486 T532 V573T481-D483 PolarHBondContact O-N 3.26Å; D483-P485 VanDerWaalsContact C-N 3.28Å; D483-K486 HydrophobicContact CB-CD 4.23Å; D483-K486 WeakPolarHBondContact O-CB 3.38Å; D483-K486 WeakPolarHBondContact O-CD 3.32Å; D483-K486 WeakPolarHBondContact O-CG 3.4Å; D483-K486 PolarHBondContact O-N 2.8Å; D483-K486 VanDerWaalsContact O-N 3.14Å; D483-K486 IonicContact OD1-NZ 2.7Å; D483-K486 PolarHBondContact OD1-NZ 3.06Å; D483-K486 IonicContact OD2-NZ 3.88Å; D483-K486 PolarHBondContact OD2-NZ 3.44Å; D483-T532 HydrophobicContact CB-CG2 3.98Å; D483-V573 HydrophobicContact CB-CG2 4.04Å
484S94.2Very high91.4Very high60 Ų6065.9 Ų65.942%0.4239%0.393SS..G310 helixtrans-57.6-30.4174.571.30000114.6D482 K486 Y487D482-S484 VanDerWaalsContact OD1-CB 3.22Å; D482-S484 WeakPolarHBondContact OD1-CB 3.48Å; D482-S484 PolarHBondContact OD1-N 3.22Å; D482-S484 PolarHBondContact OD1-OG 3.1Å; D482-S484 PolarHBondContact OD2-OG 3.01Å; S484-K486 PolarHBondContact O-N 3.09Å; S484-Y487 PolarHBondContact O-N 3.43Å; S484-Y487 VanDerWaalsContact O-N 3.09Å
485P95.9Very high91.5Very high24 Ų2463 Ų6316%0.15639%0.385CS..G310 helixtrans-60.1-18.1175.6-25.836.5000114.5D482 D483 Y487 S488 L502 C533D482-P485 WeakPolarHBondContact O-CD 3.21Å; D483-P485 VanDerWaalsContact C-N 3.28Å; P485-Y487 PolarHBondContact O-N 2.93Å; P485-Y487 VanDerWaalsContact O-N 3.09Å; P485-S488 WeakPolarHBondContact O-CB 3.49Å; P485-S488 PolarHBondContact O-N 3.4Å; P485-L502 HydrophobicContact CB-CD2 3.76Å; P485-L502 HydrophobicContact CG-CD2 4.05Å; P485-C533 HydrophobicContact CB-CB 4.43Å
486K94.9Very high91.9Very high9 Ų963.5 Ų63.54%0.03938%0.379CS..G310 helixtrans-60.9-18.5175.180.8-160.5175.6-138.50113.2D483 S484 Y489 C533 Y535D483-K486 HydrophobicContact CB-CD 4.23Å; D483-K486 WeakPolarHBondContact O-CB 3.38Å; D483-K486 WeakPolarHBondContact O-CD 3.32Å; D483-K486 WeakPolarHBondContact O-CG 3.4Å; D483-K486 PolarHBondContact O-N 2.8Å; D483-K486 VanDerWaalsContact O-N 3.14Å; D483-K486 IonicContact OD1-NZ 2.7Å; D483-K486 PolarHBondContact OD1-NZ 3.06Å; D483-K486 IonicContact OD2-NZ 3.88Å; D483-K486 PolarHBondContact OD2-NZ 3.44Å; S484-K486 PolarHBondContact O-N 3.09Å; K486-Y489 VanDerWaalsContact O-CE1 3.25Å; K486-Y489 WeakPolarHBondContact O-CE1 3.31Å; K486-C533 WeakPolarHBondContact CB-O 3.47Å; K486-Y535 HydrophobicContact CD-CD2 4Å
487Y94.8Very high92.1Very high50 Ų5059 Ų5920%0.19636%0.363CS..G310 helixtrans-96.3-3.8175.5-55.3-54.3000114.2S484 P485 Y489 G724 G725 T726S484-Y487 PolarHBondContact O-N 3.43Å; S484-Y487 VanDerWaalsContact O-N 3.09Å; P485-Y487 PolarHBondContact O-N 2.93Å; P485-Y487 VanDerWaalsContact O-N 3.09Å; Y487-Y489 PolarHBondContact O-N 3.16Å; Y487-Y489 VanDerWaalsContact O-N 3.15Å; Y487-G724 WeakPolarHBondContact CE1-O 3.46Å; Y487-G724 PolarHBondContact OH-O 3.21Å; Y487-G725 WeakPolarHBondContact CE1-O 3.38Å; Y487-T726 HydrophobicContact CD1-CG2 4.37Å; Y487-T726 HydrophobicContact CE1-CG2 4.48Å
488S92.6Very high92.3Very high79 Ų7961.3 Ų61.355%0.55236%0.361SS*.  trans-85.685.5-177.4-63.50000110.3P485P485-S488 WeakPolarHBondContact O-CB 3.49Å; P485-S488 PolarHBondContact O-N 3.4Å
489Y94.4Very high92.2Very high32 Ų3260.2 Ų60.213%0.12535%0.354CS..  trans-147.4154.3173.346.6-98.8000111.2K486 Y487 Y497 D498 F499 M602 T726 H727 Q729K486-Y489 VanDerWaalsContact O-CE1 3.25Å; K486-Y489 WeakPolarHBondContact O-CE1 3.31Å; Y487-Y489 PolarHBondContact O-N 3.16Å; Y487-Y489 VanDerWaalsContact O-N 3.15Å; Y489-Y497 AromaticContact CD2-CD1 3.85Å; Y489-Y497 HydrophobicContact CD2-CD1 3.85Å; Y489-Y497 HydrophobicContact CD2-CE1 4.03Å; Y489-Y497 HydrophobicContact CE2-CD1 4.5Å; Y489-Y497 HydrophobicContact CE2-CE1 4.3Å; Y489-D498 VanDerWaalsContact CA-O 3.23Å; Y489-D498 WeakPolarHBondContact CA-O 3.45Å; Y489-D498 VanDerWaalsContact CB-O 3.29Å; Y489-D498 WeakPolarHBondContact CB-O 3.46Å; Y489-F499 AromaticContact CD1-CD1 3.91Å; Y489-F499 HydrophobicContact CD1-CD1 3.91Å; Y489-F499 HydrophobicContact CD1-CE1 4.01Å; Y489-F499 AromaticContact CG-CD1 3.96Å; Y489-F499 HydrophobicContact CG-CD1 3.96Å; Y489-F499 AromaticContact CG-CE1 3.99Å; Y489-F499 HydrophobicContact CG-CE1 3.99Å; Y489-M602 HydrophobicContact CD2-CE 3.85Å; Y489-M602 HydrophobicContact CE1-CE 4.15Å; Y489-M602 HydrophobicContact CE2-CE 3.34Å; Y489-M602 HydrophobicContact CG-CE 4.45Å; Y489-T726 HydrophobicContact CE1-CG2 4.25Å; Y489-H727 VanDerWaalsContact CE2-O 3.25Å; Y489-H727 WeakPolarHBondContact CE2-O 3.24Å; Y489-H727 PolarHBondContact OH-N 3.44Å; Y489-H727 PolarHBondContact OH-O 2.67Å; Y489-H727 VanDerWaalsContact OH-O 3.11Å; Y489-Q729 PolarHBondContact O-NE2 3.1Å
490A93.2Very high91.7Very high55 Ų5554.2 Ų54.246%0.45534%0.339SS..EExtended strand (participates in β ladder)trans-127.4151.617500000110.2Y497 D498A490-Y497 CarbonylContact O-C 3.56Å; A490-Y497 VanDerWaalsContact O-CA 3.3Å; A490-Y497 WeakPolarHBondContact O-CA 3.44Å; A490-D498 PolarHBondContact N-O 2.97Å; A490-D498 PolarHBondContact O-N 3.28Å
491S94Very high91Very high29 Ų2954.8 Ų54.820%0.20335%0.347CS..EExtended strand (participates in β ladder)trans-120.6145.3172.961.80000111.6V496 Q729 H733S491-V496 WeakPolarHBondContact CA-O 3.46Å; S491-Q729 PolarHBondContact OG-OE1 3.2Å; S491-H733 PolarHBondContact OG-CE1 2.87Å
492D91.4Very high90.9Very high69 Ų6956.1 Ų56.137%0.36935%0.354SS..  trans-79.5168.7166.577.39.2000110.8S494 G495 V496D492-S494 PolarHBondContact O-N 3.49Å; D492-S494 VanDerWaalsContact OD1-CA 3.26Å; D492-S494 WeakPolarHBondContact OD1-CA 3.43Å; D492-S494 WeakPolarHBondContact OD1-CB 3.49Å; D492-S494 PolarHBondContact OD1-N 2.88Å; D492-S494 PolarHBondContact OD1-OG 2.89Å; D492-S494 PolarHBondContact OD2-OG 3.35Å; D492-S494 VanDerWaalsContact OD2-OG 3.06Å; D492-G495 PolarHBondContact O-N 3.07Å; D492-G495 PolarHBondContact OD1-N 3.28Å; D492-V496 PolarHBondContact N-O 3.32Å; D492-V496 PolarHBondContact OD1-N 3.23Å; D492-V496 VanDerWaalsContact OD1-N 3.07Å
493P87.6Confident90.8Very high135 Ų13555 Ų5588%0.87735%0.35SS*.THydrogen-bonded Turntrans-61.9-12.8177-25.235.7000115.2
494S84.5Confident90.8Very high91 Ų9153.4 Ų53.464%0.63634%0.342SS*.THydrogen-bonded Turntrans-88.9-5.1176.581.60000112.9D492 V496D492-S494 PolarHBondContact O-N 3.49Å; D492-S494 VanDerWaalsContact OD1-CA 3.26Å; D492-S494 WeakPolarHBondContact OD1-CA 3.43Å; D492-S494 WeakPolarHBondContact OD1-CB 3.49Å; D492-S494 PolarHBondContact OD1-N 2.88Å; D492-S494 PolarHBondContact OD1-OG 2.89Å; D492-S494 PolarHBondContact OD2-OG 3.35Å; D492-S494 VanDerWaalsContact OD2-OG 3.06Å; S494-V496 WeakPolarHBondContact OG-CG2 3.4Å
495G85.6Confident91Very high11 Ų1151.7 Ų51.711%0.11333%0.329CS..SBendtrans82.519.1178.900000114.2D492 Y497 R599D492-G495 PolarHBondContact O-N 3.07Å; D492-G495 PolarHBondContact OD1-N 3.28Å; G495-Y497 VanDerWaalsContact O-CD2 3.3Å; G495-Y497 WeakPolarHBondContact O-CD2 3.36Å; G495-R599 PolarHBondContact O-NE 3.44Å; G495-R599 PolarHBondContact O-NH2 3.24Å
496V87.9Confident91.1Very high93 Ų9350.6 Ų50.656%0.56432%0.321SS*.  trans-81.9129.8167.11780000108.1S491 D492 S494S491-V496 WeakPolarHBondContact CA-O 3.46Å; D492-V496 PolarHBondContact N-O 3.32Å; D492-V496 PolarHBondContact OD1-N 3.23Å; D492-V496 VanDerWaalsContact OD1-N 3.07Å; S494-V496 WeakPolarHBondContact OG-CG2 3.4Å
497Y92.9Very high91.2Very high14 Ų1454 Ų546%0.05534%0.336CS..EExtended strand (participates in β ladder)trans-107.7136.7-177.2-76.8-112.4000109.9Y489 A490 G495 F499 R599 M602 L728 Q729 H733Y489-Y497 AromaticContact CD2-CD1 3.85Å; Y489-Y497 HydrophobicContact CD2-CD1 3.85Å; Y489-Y497 HydrophobicContact CD2-CE1 4.03Å; Y489-Y497 HydrophobicContact CE2-CD1 4.5Å; Y489-Y497 HydrophobicContact CE2-CE1 4.3Å; A490-Y497 CarbonylContact O-C 3.56Å; A490-Y497 VanDerWaalsContact O-CA 3.3Å; A490-Y497 WeakPolarHBondContact O-CA 3.44Å; G495-Y497 VanDerWaalsContact O-CD2 3.3Å; G495-Y497 WeakPolarHBondContact O-CD2 3.36Å; Y497-F499 HydrophobicContact CD1-CZ 4.43Å; Y497-F499 HydrophobicContact CG-CZ 4.29Å; Y497-R599 VanDerWaalsContact CD2-CD 3.5Å; Y497-M602 HydrophobicContact CD1-CE 3.88Å; Y497-M602 HydrophobicContact CE1-CE 3.69Å; Y497-L728 HydrophobicContact CE2-CD2 4.05Å; Y497-L728 WeakPolarHBondContact OH-CA 3.48Å; Y497-L728 VanDerWaalsContact OH-CB 3.3Å; Y497-L728 WeakPolarHBondContact OH-CB 3.26Å; Y497-L728 WeakPolarHBondContact OH-CD2 3.49Å; Y497-Q729 HydrophobicContact CE1-CG 4.22Å; Y497-Q729 PolarHBondContact OH-N 3.28Å; Y497-H733 HydrophobicContact CE2-CB 4.37Å; Y497-H733 AromaticContact CE2-ND1 3.67Å; Y497-H733 AromaticContact CZ-ND1 3.74Å; Y497-H733 PolarHBondContact OH-ND1 3.05Å; Y497-H733 VanDerWaalsContact OH-ND1 3.09Å
498D92.1Very high91.3Very high109 Ų10951.7 Ų51.758%0.58333%0.328SS*.EExtended strand (participates in β ladder)trans-105.5118.2167.3-178.63.5000108Y489 A490 G500Y489-D498 VanDerWaalsContact CA-O 3.23Å; Y489-D498 WeakPolarHBondContact CA-O 3.45Å; Y489-D498 VanDerWaalsContact CB-O 3.29Å; Y489-D498 WeakPolarHBondContact CB-O 3.46Å; A490-D498 PolarHBondContact N-O 2.97Å; A490-D498 PolarHBondContact O-N 3.28Å; D498-G500 PolarHBondContact OD1-N 2.92Å
499F87.8Confident91.5Very high17 Ų1747.9 Ų47.98%0.07530%0.301CS..  trans-94.3-2.3-179.5-64.4-82000113.1Y489 Y497 I593 E595 R598 M602Y489-F499 AromaticContact CD1-CD1 3.91Å; Y489-F499 HydrophobicContact CD1-CD1 3.91Å; Y489-F499 HydrophobicContact CD1-CE1 4.01Å; Y489-F499 AromaticContact CG-CD1 3.96Å; Y489-F499 HydrophobicContact CG-CD1 3.96Å; Y489-F499 AromaticContact CG-CE1 3.99Å; Y489-F499 HydrophobicContact CG-CE1 3.99Å; Y497-F499 HydrophobicContact CD1-CZ 4.43Å; Y497-F499 HydrophobicContact CG-CZ 4.29Å; F499-I593 HydrophobicContact CB-CD1 4.09Å; F499-I593 HydrophobicContact CD1-CD1 3.96Å; F499-I593 HydrophobicContact CD2-CD1 4.42Å; F499-I593 HydrophobicContact CG-CD1 3.9Å; F499-E595 HydrophobicContact CD2-CB 3.98Å; F499-E595 HydrophobicContact CD2-CG 3.67Å; F499-E595 HydrophobicContact CE2-CB 3.96Å; F499-E595 HydrophobicContact CE2-CG 4.18Å; F499-R598 HydrophobicContact CD1-CG 4.34Å; F499-R598 HydrophobicContact CE1-CG 3.59Å; F499-R598 HydrophobicContact CE2-CG 4.48Å; F499-R598 HydrophobicContact CZ-CB 4.47Å; F499-R598 HydrophobicContact CZ-CG 3.67Å; F499-M602 HydrophobicContact CE1-CE 4.22Å; F499-M602 HydrophobicContact CE1-SD 3.63Å; F499-M602 HydrophobicContact CZ-SD 3.78Å
500G81.6Confident91.4Very high49 Ų4946.5 Ų46.551%0.50530%0.296SS..  trans68166.7-176.700000113.8D498D498-G500 PolarHBondContact OD1-N 2.92Å
501S78.8Confident91.2Very high100 Ų10047.5 Ų47.570%0.69929%0.288SS*.  trans-100.8135.2171-174.30000109.1
502L92.6Very high90.7Very high37 Ų3752 Ų5219%0.19431%0.306CS..EExtended strand (participates in β ladder)trans-123.5132.1177.5-177.362.8000109.8P485 C533 L591P485-L502 HydrophobicContact CB-CD2 3.76Å; P485-L502 HydrophobicContact CG-CD2 4.05Å; L502-C533 HydrophobicContact CD2-CB 3.97Å; L502-L591 HydrophobicContact CB-CB 4.47Å; L502-L591 HydrophobicContact CD2-CD1 4.02Å; L502-L591 HydrophobicContact CG-CD1 4.35Å; L502-L591 PolarHBondContact O-N 3.48Å
503V94.6Very high90.3Very high57 Ų5753.6 Ų53.635%0.34531%0.309SS..EExtended strand (participates in β ladder)trans-104.5129.2169.1-179.10000107.9Q588 V589 H590V503-Q588 HydrophobicContact CG1-CB 4.14Å; V503-V589 WeakPolarHBondContact CA-O 3.4Å; V503-H590 WeakPolarHBondContact CG2-CE1 3.37Å; V503-H590 WeakPolarHBondContact CG2-ND1 3.41Å
504A96.4Very high90.3Very high2 Ų254.5 Ų54.52%0.01730%0.299CS..EExtended strand (participates in β ladder)trans-128.6159.9179.300000110.8L529 C531 Q588 V589 L591A504-L529 HydrophobicContact CB-CB 4.19Å; A504-L529 HydrophobicContact CB-CD1 3.97Å; A504-L529 HydrophobicContact CB-CD2 4.43Å; A504-L529 HydrophobicContact CB-CG 4.43Å; A504-C531 VanDerWaalsContact CB-O 3.25Å; A504-C531 WeakPolarHBondContact CB-O 3.32Å; A504-Q588 WeakPolarHBondContact O-CA 3.38Å; A504-V589 PolarHBondContact N-O 3.27Å; A504-V589 PolarHBondContact O-N 3.29Å; A504-L591 HydrophobicContact CB-CD1 3.89Å; A504-L591 HydrophobicContact CB-CG 4.21Å
505T97.4Very high90.8Very high24 Ų2451.1 Ų51.115%0.14727%0.273CS..EExtended strand (participates in β ladder)trans-105.2133.3176.2-63.60000110.8K507 L529 D530 D587T505-K507 HydrophobicContact CG2-CD 4.39Å; T505-K507 PolarHBondContact O-N 3.36Å; T505-L529 WeakPolarHBondContact O-CA 3.45Å; T505-D530 WeakPolarHBondContact CB-OD2 3.44Å; T505-D530 PolarHBondContact N-OD1 2.88Å; T505-D530 PolarHBondContact O-N 2.99Å; T505-D587 WeakPolarHBondContact CA-O 3.4Å
506V97.5Very high91.2Very high0 Ų052.6 Ų52.60%028%0.28CS..EExtended strand (participates in β ladder)trans-66.8116.2173.2-179.50000109.7I509 I527 L529 L583 G586 D587 V589V506-I509 HydrophobicContact CG1-CD1 4Å; V506-I509 HydrophobicContact CG1-CG1 3.63Å; V506-I527 HydrophobicContact CG1-CG2 4.13Å; V506-I527 HydrophobicContact CG2-CG2 4.24Å; V506-L529 HydrophobicContact CB-CD2 4.5Å; V506-L529 HydrophobicContact CG2-CD2 4.01Å; V506-L583 HydrophobicContact CG2-CD1 4.21Å; V506-L583 HydrophobicContact CG2-CD2 3.94Å; V506-L583 HydrophobicContact CG2-CG 4.14Å; V506-G586 PolarHBondContact O-N 3.01Å; V506-D587 HydrophobicContact CG2-CB 4.49Å; V506-D587 PolarHBondContact N-O 3.32Å; V506-V589 HydrophobicContact CG2-CG1 4.16Å; V506-V589 HydrophobicContact CG2-CG2 4.36Å
507K97.4Very high91.5Very high80 Ų8053.8 Ų53.835%0.34828%0.28SS..EExtended strand (participates in β ladder)trans-98.5-32.6-179.4-61.8-59-174.5-174.20113.1L478 T505 I528 D530 V585L478-K507 HydrophobicContact CD2-CB 3.68Å; L478-K507 HydrophobicContact CG-CB 4.08Å; T505-K507 HydrophobicContact CG2-CD 4.39Å; T505-K507 PolarHBondContact O-N 3.36Å; K507-I528 PolarHBondContact N-O 3.33Å; K507-D530 HydrophobicContact CD-CB 4.49Å; K507-D530 WeakPolarHBondContact CE-OD2 3.37Å; K507-D530 HydrophobicContact CG-CB 4.23Å; K507-D530 IonicContact NZ-OD2 2.75Å; K507-V585 WeakPolarHBondContact O-CG1 3.47Å
508A96.8Very high91.5Very high2 Ų257.5 Ų57.52%0.01730%0.297CS..EExtended strand (participates in β ladder)trans-154.5150.9174.400000111.1L473 L478 F515 I528L473-A508 HydrophobicContact CD2-CB 3.63Å; L478-A508 HydrophobicContact CD2-CB 3.98Å; A508-F515 HydrophobicContact CB-CD1 3.92Å; A508-F515 HydrophobicContact CB-CE1 4.06Å; A508-I528 HydrophobicContact CB-CB 4.2Å; A508-I528 HydrophobicContact CB-CD1 4.29Å; A508-I528 PolarHBondContact N-O 3.26Å; A508-I528 PolarHBondContact O-N 3.38Å
509I96.1Very high91.5Very high0 Ų052.4 Ų52.40%027%0.27CS..EExtended strand (participates in β ladder)trans-125.4128.7176.1-57.2165.9000107.8V506 F515 V516 V519 C525 G526 L583 V585V506-I509 HydrophobicContact CG1-CD1 4Å; V506-I509 HydrophobicContact CG1-CG1 3.63Å; I509-F515 CarbonylContact O-C 3.51Å; I509-F515 VanDerWaalsContact O-CA 3.25Å; I509-F515 WeakPolarHBondContact O-CA 3.46Å; I509-V516 HydrophobicContact CB-CG2 4.12Å; I509-V516 HydrophobicContact CG2-CG2 3.78Å; I509-V516 PolarHBondContact O-N 3.33Å; I509-V519 HydrophobicContact CD1-CG2 4.23Å; I509-V519 HydrophobicContact CG2-CB 4.39Å; I509-V519 HydrophobicContact CG2-CG1 3.58Å; I509-V519 HydrophobicContact CG2-CG2 3.9Å; I509-C525 HydrophobicContact CG2-CB 4.2Å; I509-G526 CarbonylContact C-O 3.57Å; I509-G526 WeakPolarHBondContact CA-O 3.46Å; I509-L583 WeakPolarHBondContact CD1-O 3.29Å; I509-V585 HydrophobicContact CD1-CG2 4.16Å; I509-V585 HydrophobicContact CG1-CG2 4.16Å
510R93.5Very high91.5Very high2 Ų254.1 Ų54.11%0.00828%0.284CS..EExtended strand (participates in β ladder)trans-115.7130.2-178.7-172.4170.1177.480.4-3.8110.9L463 M464 D466 K513 K514 F515 C525 G526L463-R510 WeakPolarHBondContact O-CD 3.4Å; L463-R510 PolarHBondContact O-NE 3.39Å; M464-R510 PolarHBondContact O-NE 3.2Å; M464-R510 VanDerWaalsContact O-NE 3.1Å; M464-R510 PolarHBondContact O-NH2 3.29Å; D466-R510 IonicContact OD1-NH2 2.98Å; D466-R510 IonicContact OD2-NH2 2.75Å; D466-R510 PolarHBondContact OD2-NH2 3.38Å; D466-R510 VanDerWaalsContact OD2-NH2 3.16Å; R510-K513 PolarHBondContact NH1-O 3.4Å; R510-K513 VanDerWaalsContact NH1-O 3.09Å; R510-K513 PolarHBondContact NH2-O 3.28Å; R510-K514 CarbonylContact C-O 3.58Å; R510-K514 WeakPolarHBondContact CA-O 3.47Å; R510-F515 HydrophobicContact CB-CD1 4Å; R510-F515 HydrophobicContact CB-CE1 3.9Å; R510-F515 HydrophobicContact CG-CD1 4.48Å; R510-F515 HydrophobicContact CG-CE1 4.3Å; R510-C525 CarbonylContact O-C 3.55Å; R510-C525 WeakPolarHBondContact O-CA 3.42Å; R510-C525 VanDerWaalsContact O-CB 3.31Å; R510-C525 WeakPolarHBondContact O-CB 3.16Å; R510-G526 PolarHBondContact N-O 2.84Å; R510-G526 PolarHBondContact O-N 3.42Å
511R89.1Confident91.5Very high77 Ų7755.5 Ų55.529%0.29128%0.283SS..EExtended strand (participates in β ladder)trans-145.5137175.8180177.3166-133.1-13.6109.5K513 K514 V516 Q523 C525R511-K513 VanDerWaalsContact C-N 3.31Å; R511-K513 PolarHBondContact O-N 2.84Å; R511-K514 PolarHBondContact N-O 2.94Å; R511-K514 PolarHBondContact O-N 3.02Å; R511-V516 HydrophobicContact CB-CG2 4.36Å; R511-Q523 VanDerWaalsContact NH1-NE2 3.12Å; R511-C525 HydrophobicContact CB-CB 4.36Å
512E83.7Confident91.2Very high123 Ų12353.5 Ų53.558%0.57528%0.279SS*.THydrogen-bonded Turntrans48.849.1176.5-65.8169.9-159.800112.9K514E512-K514 PolarHBondContact O-N 2.95Å
513K81.8Confident90.5Very high103 Ų10353.8 Ų53.845%0.44828%0.279SS..THydrogen-bonded Turntrans62.67.7-175.9-56.3-174.6178.8179.30117L462 R510 R511L462-K513 HydrophobicContact CD2-CD 4.44Å; L462-K513 VanDerWaalsContact CD2-CE 3.5Å; L462-K513 HydrophobicContact CD2-CG 4.47Å; L462-K513 WeakPolarHBondContact O-CG 3.3Å; L462-K513 PolarHBondContact O-N 3.43Å; L462-K513 VanDerWaalsContact O-N 3.12Å; R510-K513 PolarHBondContact NH1-O 3.4Å; R510-K513 VanDerWaalsContact NH1-O 3.09Å; R510-K513 PolarHBondContact NH2-O 3.28Å; R511-K513 VanDerWaalsContact C-N 3.31Å; R511-K513 PolarHBondContact O-N 2.84Å
514K89.1Confident90.2Very high153 Ų15356.2 Ų56.267%0.66529%0.286SS*.EExtended strand (participates in β ladder)trans-120.8149.8180-65-179.4-177.8176.70112R510 R511 E512R510-K514 CarbonylContact C-O 3.58Å; R510-K514 WeakPolarHBondContact CA-O 3.47Å; R511-K514 PolarHBondContact N-O 2.94Å; R511-K514 PolarHBondContact O-N 3.02Å; E512-K514 PolarHBondContact O-N 2.95Å
515F93.8Very high90Very high20 Ų2056.1 Ų56.19%0.08829%0.286CS..EExtended strand (participates in β ladder)trans-82.5133166.8-67.2-73.5000110.5L465 A469 E472 L473 A508 I509 R510 I528L465-F515 HydrophobicContact CD2-CE1 4.25Å; L465-F515 HydrophobicContact CD2-CZ 3.84Å; A469-F515 HydrophobicContact CB-CE2 3.9Å; A469-F515 HydrophobicContact CB-CZ 3.98Å; A469-F515 WeakPolarHBondContact O-CE2 3.41Å; E472-F515 HydrophobicContact CB-CD2 4.45Å; E472-F515 HydrophobicContact CB-CE2 4.25Å; E472-F515 HydrophobicContact CG-CD2 4.2Å; E472-F515 HydrophobicContact CG-CE2 4.48Å; L473-F515 HydrophobicContact CD1-CE1 4.28Å; L473-F515 HydrophobicContact CD1-CZ 3.71Å; L473-F515 HydrophobicContact CD2-CD1 4.34Å; L473-F515 HydrophobicContact CD2-CE1 3.69Å; L473-F515 HydrophobicContact CD2-CE2 4.19Å; L473-F515 HydrophobicContact CD2-CZ 3.61Å; L473-F515 HydrophobicContact CG-CE1 4.12Å; L473-F515 HydrophobicContact CG-CE2 3.98Å; L473-F515 HydrophobicContact CG-CZ 3.51Å; A508-F515 HydrophobicContact CB-CD1 3.92Å; A508-F515 HydrophobicContact CB-CE1 4.06Å; I509-F515 CarbonylContact O-C 3.51Å; I509-F515 VanDerWaalsContact O-CA 3.25Å; I509-F515 WeakPolarHBondContact O-CA 3.46Å; R510-F515 HydrophobicContact CB-CD1 4Å; R510-F515 HydrophobicContact CB-CE1 3.9Å; R510-F515 HydrophobicContact CG-CD1 4.48Å; R510-F515 HydrophobicContact CG-CE1 4.3Å; F515-I528 HydrophobicContact CE1-CD1 4.18Å
516V94.6Very high89.9Confident43 Ų4355 Ų5526%0.26128%0.279SS..EExtended strand (participates in β ladder)trans-124.8154-178.5-62.30000109.6I509 R511 V519I509-V516 HydrophobicContact CB-CG2 4.12Å; I509-V516 HydrophobicContact CG2-CG2 3.78Å; I509-V516 PolarHBondContact O-N 3.33Å; R511-V516 HydrophobicContact CB-CG2 4.36Å; V516-V519 HydrophobicContact CG2-CG1 3.85Å
517E95Very high89.9Confident118 Ų11855 Ų5555%0.55128%0.279SS*.SBendtrans-84.7-22.6-179.3-63.6-57.3135.600113R476 K584 V585R476-E517 IonicContact NH1-OE1 3.55Å; E517-K584 VanDerWaalsContact O-CA 3.28Å; E517-K584 WeakPolarHBondContact O-CA 3.39Å; E517-V585 PolarHBondContact O-N 3.35Å
518E92.9Very high89.9Confident91 Ų9151.3 Ų51.343%0.42526%0.263SS..EExtended strand (participates in β ladder)trans-147.8145.2-177.1-179.5172.4-169.700110.6S582 L583 K584E518-S582 PolarHBondContact OE1-OG 3.03Å; E518-L583 WeakPolarHBondContact CA-O 3.43Å; E518-K584 HydrophobicContact CB-CG 4.03Å; E518-K584 HydrophobicContact CG-CG 3.92Å; E518-K584 WeakPolarHBondContact OE1-CE 3.48Å; E518-K584 IonicContact OE1-NZ 3.44Å; E518-K584 WeakPolarHBondContact OE2-CE 3.27Å; E518-K584 IonicContact OE2-NZ 3.19Å; E518-K584 PolarHBondContact OE2-NZ 2.87Å
519V91.1Very high89.9Confident2 Ų251.3 Ų51.31%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-127.5153.6167-770000110.2I509 V516 C525 L579 S582 L583I509-V519 HydrophobicContact CD1-CG2 4.23Å; I509-V519 HydrophobicContact CG2-CB 4.39Å; I509-V519 HydrophobicContact CG2-CG1 3.58Å; I509-V519 HydrophobicContact CG2-CG2 3.9Å; V516-V519 HydrophobicContact CG2-CG1 3.85Å; V519-C525 HydrophobicContact CG1-CB 4.05Å; V519-L579 HydrophobicContact CB-CD2 4.04Å; V519-L579 HydrophobicContact CG2-CD2 3.48Å; V519-L579 VanDerWaalsContact CG2-CD2 3.48Å; V519-L579 VanDerWaalsContact O-CD2 3.25Å; V519-L579 WeakPolarHBondContact O-CD2 3.42Å; V519-S582 WeakPolarHBondContact O-CA 3.08Å; V519-L583 HydrophobicContact CG2-CB 4.2Å; V519-L583 PolarHBondContact N-O 3.31Å; V519-L583 PolarHBondContact O-N 3.36Å; V519-L583 VanDerWaalsContact O-N 3.15Å
520S87.1Confident90Very high54 Ų5453.8 Ų53.838%0.37828%0.276SS..EExtended strand (participates in β ladder)trans-122.6169.3-178.466.20000112.3G522 Q523 G581S520-G522 PolarHBondContact O-N 2.91Å; S520-Q523 VanDerWaalsContact N-OE1 3.1Å; S520-Q523 WeakPolarHBondContact O-CB 3.24Å; S520-Q523 WeakPolarHBondContact O-CG 3.28Å; S520-Q523 PolarHBondContact O-N 3.43Å; S520-Q523 PolarHBondContact OG-NE2 3.13Å; S520-G581 CarbonylContact C-O 3.55Å; S520-G581 VanDerWaalsContact C-O 3.3Å; S520-G581 VanDerWaalsContact CA-O 3.32Å; S520-G581 WeakPolarHBondContact CA-O 3.38Å
521T82.5Confident90.2Very high77 Ų7754.8 Ų54.847%0.47228%0.282SS..THydrogen-bonded Turntrans-42135.4179.7-57.70000114Q523 L579 Y580 G581T521-Q523 VanDerWaalsContact C-N 3.27Å; T521-Q523 PolarHBondContact O-N 3.47Å; T521-L579 CarbonylContact C-O 3.57Å; T521-L579 WeakPolarHBondContact CA-O 3.3Å; T521-Y580 HydrophobicContact CG2-CD2 3.73Å; T521-Y580 HydrophobicContact CG2-CE2 4.09Å; T521-Y580 HydrophobicContact CG2-CG 4.45Å; T521-G581 PolarHBondContact N-O 3.47Å; T521-G581 WeakPolarHBondContact OG1-CA 3.38Å; T521-G581 PolarHBondContact OG1-N 3.4Å; T521-G581 PolarHBondContact OG1-O 3.48Å
522G72.6Confident90.6Very high59 Ų5951.1 Ų51.161%0.60827%0.269SS*.THydrogen-bonded Turntrans83-2.917400000114.5S520 L579S520-G522 PolarHBondContact O-N 2.91Å; G522-L579 PolarHBondContact N-O 2.7Å
523Q78.2Confident91.2Very high42 Ų4245.8 Ų45.820%0.19625%0.245CC..  trans-84.3135.9177.6-65.2176-6.500110.9R511 S520 T521 L579R511-Q523 VanDerWaalsContact NH1-NE2 3.12Å; S520-Q523 VanDerWaalsContact N-OE1 3.1Å; S520-Q523 WeakPolarHBondContact O-CB 3.24Å; S520-Q523 WeakPolarHBondContact O-CG 3.28Å; S520-Q523 PolarHBondContact O-N 3.43Å; S520-Q523 PolarHBondContact OG-NE2 3.13Å; T521-Q523 VanDerWaalsContact C-N 3.27Å; T521-Q523 PolarHBondContact O-N 3.47Å; Q523-L579 PolarHBondContact O-N 3.48Å; Q523-L579 VanDerWaalsContact O-N 3.15Å
524E87.1Confident91.9Very high109 Ų10940.9 Ų40.951%0.50922%0.223SC..EExtended strand (participates in β ladder)trans-84.9130.1165.3-160.2176.5-142.200109L463 G577L463-E524 HydrophobicContact CD1-CB 4.42Å; L463-E524 HydrophobicContact CD1-CG 3.72Å; E524-G577 VanDerWaalsContact CA-O 3.32Å; E524-G577 WeakPolarHBondContact CA-O 3.38Å; E524-G577 WeakPolarHBondContact CG-O 3.27Å
525C92.6Very high92.3Very high0 Ų033.7 Ų33.70%019%0.192CC..EExtended strand (participates in β ladder)trans-151.2165.1-179.762.80000111.4I509 R510 R511 V519 F561 G577I509-C525 HydrophobicContact CG2-CB 4.2Å; R510-C525 CarbonylContact O-C 3.55Å; R510-C525 WeakPolarHBondContact O-CA 3.42Å; R510-C525 VanDerWaalsContact O-CB 3.31Å; R510-C525 WeakPolarHBondContact O-CB 3.16Å; R511-C525 HydrophobicContact CB-CB 4.36Å; V519-C525 HydrophobicContact CG1-CB 4.05Å; C525-F561 VanDerWaalsContact SG-CE2 3.56Å; C525-G577 PolarHBondContact N-O 3.12Å; C525-G577 VanDerWaalsContact N-O 3.07Å; C525-G577 PolarHBondContact O-N 2.93Å; C525-G577 VanDerWaalsContact O-N 3.07Å
526G95.5Very high92.3Very high0 Ų032.7 Ų32.70%019%0.188CC..EExtended strand (participates in β ladder)trans-104133.5169.400000110.7I509 R510 H575I509-G526 CarbonylContact C-O 3.57Å; I509-G526 WeakPolarHBondContact CA-O 3.46Å; R510-G526 PolarHBondContact N-O 2.84Å; R510-G526 PolarHBondContact O-N 3.42Å; G526-H575 CarbonylContact C-O 3.48Å; G526-H575 VanDerWaalsContact CA-O 3.31Å; G526-H575 WeakPolarHBondContact CA-O 3.47Å
527I97Very high92.2Very high0 Ų034.5 Ų34.50%019%0.194CC..EExtended strand (participates in β ladder)trans-113.3130.6179.3-61.1176.8000109.6V506 L529 M548 F561 H575 L583V506-I527 HydrophobicContact CG1-CG2 4.13Å; V506-I527 HydrophobicContact CG2-CG2 4.24Å; I527-L529 HydrophobicContact CG2-CD2 3.66Å; I527-L529 HydrophobicContact CG2-CG 4.2Å; I527-M548 HydrophobicContact CD1-SD 4.33Å; I527-M548 HydrophobicContact CG2-SD 4.49Å; I527-F561 HydrophobicContact CD1-CB 4.17Å; I527-F561 HydrophobicContact CD1-CD1 3.5Å; I527-F561 VanDerWaalsContact CD1-CD1 3.5Å; I527-F561 HydrophobicContact CD1-CD2 3.58Å; I527-F561 HydrophobicContact CD1-CE1 3.56Å; I527-F561 HydrophobicContact CD1-CE2 3.66Å; I527-F561 HydrophobicContact CD1-CG 3.48Å; I527-F561 VanDerWaalsContact CD1-CG 3.48Å; I527-F561 HydrophobicContact CD1-CZ 3.61Å; I527-F561 HydrophobicContact CG1-CE1 4.1Å; I527-F561 HydrophobicContact CG1-CE2 4.14Å; I527-F561 HydrophobicContact CG1-CZ 3.87Å; I527-H575 HydrophobicContact CB-CB 4.43Å; I527-H575 PolarHBondContact N-O 3.02Å; I527-H575 PolarHBondContact O-N 3.28Å; I527-H575 PolarHBondContact O-ND1 3.33Å; I527-L583 HydrophobicContact CD1-CD2 3.39Å; I527-L583 HydrophobicContact CG1-CD2 4.34Å
528I97.7Very high91.9Very high2 Ų231.8 Ų31.81%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-108132.3170.9-58.3177.5000108.3L465 L473 K507 A508 F515 Y572 L574L465-I528 HydrophobicContact CD1-CD1 3.98Å; L465-I528 HydrophobicContact CD2-CD1 4.16Å; L473-I528 HydrophobicContact CD1-CD1 3.4Å; L473-I528 HydrophobicContact CD2-CD1 3.92Å; L473-I528 HydrophobicContact CG-CD1 4.32Å; K507-I528 PolarHBondContact N-O 3.33Å; A508-I528 HydrophobicContact CB-CB 4.2Å; A508-I528 HydrophobicContact CB-CD1 4.29Å; A508-I528 PolarHBondContact N-O 3.26Å; A508-I528 PolarHBondContact O-N 3.38Å; F515-I528 HydrophobicContact CE1-CD1 4.18Å; I528-Y572 HydrophobicContact CG2-CD1 4.21Å; I528-L574 HydrophobicContact CD1-CD1 4.4Å; I528-L574 HydrophobicContact CG1-CD1 3.87Å
529L98Very high91.4Very high2 Ų230.1 Ų30.11%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-113.7163.6-179.2-56.3176.4000110.3T481 A504 T505 V506 I527 C531 M548 V589 L591T481-L529 WeakPolarHBondContact CG2-O 3.29Å; T481-L529 PolarHBondContact OG1-O 3.05Å; A504-L529 HydrophobicContact CB-CB 4.19Å; A504-L529 HydrophobicContact CB-CD1 3.97Å; A504-L529 HydrophobicContact CB-CD2 4.43Å; A504-L529 HydrophobicContact CB-CG 4.43Å; T505-L529 WeakPolarHBondContact O-CA 3.45Å; V506-L529 HydrophobicContact CB-CD2 4.5Å; V506-L529 HydrophobicContact CG2-CD2 4.01Å; I527-L529 HydrophobicContact CG2-CD2 3.66Å; I527-L529 HydrophobicContact CG2-CG 4.2Å; L529-C531 WeakPolarHBondContact CB-O 3.45Å; L529-M548 HydrophobicContact CD1-CE 3.77Å; L529-M548 HydrophobicContact CD1-SD 4.2Å; L529-V589 HydrophobicContact CD2-CG2 3.93Å; L529-L591 HydrophobicContact CD1-CD1 3.72Å; L529-L591 HydrophobicContact CD1-CD2 3.65Å; L529-L591 HydrophobicContact CD1-CG 4.31Å
530D97.5Very high91.2Very high53 Ų5331.3 Ų31.328%0.28320%0.201SC..SBendtrans-67.3-43.716637.216.5000112.3T481 D482 T505 K507T481-D530 CarbonylContact C-O 3.54Å; T481-D530 WeakPolarHBondContact CA-O 3.5Å; D482-D530 PolarHBondContact N-O 3.44Å; T505-D530 WeakPolarHBondContact CB-OD2 3.44Å; T505-D530 PolarHBondContact N-OD1 2.88Å; T505-D530 PolarHBondContact O-N 2.99Å; K507-D530 HydrophobicContact CD-CB 4.49Å; K507-D530 WeakPolarHBondContact CE-OD2 3.37Å; K507-D530 HydrophobicContact CG-CB 4.23Å; K507-D530 IonicContact NZ-OD2 2.75Å
531C97.4Very high91.5Very high22 Ų2228.8 Ų28.815%0.14918%0.183CC..BIsolated β-bridgetrans-138.5157.4178.3670000111.6D482 A504 L529D482-C531 HydrophobicContact CB-CB 4.07Å; D482-C531 CarbonylContact O-C 3.48Å; D482-C531 WeakPolarHBondContact O-CA 3.34Å; D482-C531 WeakPolarHBondContact O-CB 3.44Å; A504-C531 VanDerWaalsContact CB-O 3.25Å; A504-C531 WeakPolarHBondContact CB-O 3.32Å; L529-C531 WeakPolarHBondContact CB-O 3.45Å
532T97.7Very high91.9Very high0 Ų026.3 Ų26.30%017%0.167CC..  trans-153.3146.2178.9-171.40000113.6T481 D482 D483 F534 V573 H575T481-T532 HydrophobicContact CG2-CG2 3.89Å; D482-T532 PolarHBondContact O-N 2.81Å; D483-T532 HydrophobicContact CB-CG2 3.98Å; T532-F534 PolarHBondContact OG1-N 2.94Å; T532-F534 VanDerWaalsContact OG1-N 3.13Å; T532-V573 HydrophobicContact CG2-CB 4.1Å; T532-V573 HydrophobicContact CG2-CG1 3.97Å; T532-V573 HydrophobicContact CG2-CG2 4.2Å; T532-H575 WeakPolarHBondContact CB-NE2 3.01Å; T532-H575 PolarHBondContact OG1-NE2 3.43Å
533C95.7Very high93Very high11 Ų1126.2 Ų26.27%0.07415%0.148CC..  trans-95.2-4.5170.262.80000112.8P485 K486 L502 R598P485-C533 HydrophobicContact CB-CB 4.43Å; K486-C533 WeakPolarHBondContact CB-O 3.47Å; L502-C533 HydrophobicContact CD2-CB 3.97Å; C533-R598 PolarHBondContact O-NH2 3.41Å
534F96.6Very high93.6Very high0 Ų024.2 Ų24.20%014%0.139CC..SBendtrans-75.1135.5175.8-74.9-104000110.6T532 D544 M548 V563 V566 H575 L591 I593T532-F534 PolarHBondContact OG1-N 2.94Å; T532-F534 VanDerWaalsContact OG1-N 3.13Å; F534-D544 HydrophobicContact CD1-CB 3.85Å; F534-M548 HydrophobicContact CE2-CE 4.43Å; F534-V563 HydrophobicContact CD1-CG1 4.09Å; F534-V563 HydrophobicContact CE1-CB 3.84Å; F534-V563 HydrophobicContact CE1-CG1 3.88Å; F534-V563 HydrophobicContact CE1-CG2 3.93Å; F534-V563 HydrophobicContact CZ-CB 4.28Å; F534-V563 HydrophobicContact CZ-CG2 3.88Å; F534-V566 HydrophobicContact CB-CG1 4.24Å; F534-V566 HydrophobicContact CB-CG2 4.09Å; F534-V566 HydrophobicContact CD1-CG2 3.9Å; F534-V566 HydrophobicContact CG-CG2 4.34Å; F534-H575 AromaticContact CG-CD2 3.99Å; F534-L591 HydrophobicContact CE2-CB 4.03Å; F534-I593 HydrophobicContact CD1-CG2 3.85Å; F534-I593 HydrophobicContact CD2-CG2 3.86Å; F534-I593 HydrophobicContact CE1-CG2 3.88Å; F534-I593 HydrophobicContact CE2-CG2 3.9Å; F534-I593 HydrophobicContact CG-CG2 3.83Å; F534-I593 HydrophobicContact CZ-CG2 3.9Å
535Y97.1Very high93.7Very high2 Ų222.3 Ų22.31%0.00813%0.13CC..PPolyproline II helixtrans-83.4124.5171.4-172.1-92.6000109.3K486 Q538 Q541 Y543 D544 G724 T726K486-Y535 HydrophobicContact CD-CD2 4Å; Y535-Q538 HydrophobicContact CE1-CG 3.96Å; Y535-Q538 HydrophobicContact CE2-CG 4.3Å; Y535-Q538 WeakPolarHBondContact OH-CG 3.46Å; Y535-Q538 PolarHBondContact OH-O 3Å; Y535-Q541 HydrophobicContact CD1-CB 4.5Å; Y535-Q541 HydrophobicContact CD1-CG 3.83Å; Y535-Q541 HydrophobicContact CE1-CB 3.62Å; Y535-Q541 VanDerWaalsContact CE1-CD 3.49Å; Y535-Q541 HydrophobicContact CE1-CG 3.43Å; Y535-Q541 VanDerWaalsContact CE1-CG 3.43Å; Y535-Y543 WeakPolarHBondContact O-CA 3.47Å; Y535-D544 WeakPolarHBondContact CA-OD2 3.43Å; Y535-D544 WeakPolarHBondContact CB-OD2 3.3Å; Y535-D544 PolarHBondContact N-OD2 2.76Å; Y535-D544 PolarHBondContact O-N 3.15Å; Y535-G724 WeakPolarHBondContact CE2-O 3.41Å; Y535-T726 HydrophobicContact CD2-CG2 3.97Å
536A95.5Very high93.4Very high0 Ų022.9 Ų22.90%014%0.136CC..PPolyproline II helixtrans-79.4142.5169.400000110.5Q538 V566 V568 V573A536-Q538 WeakPolarHBondContact O-CG 3.28Å; A536-Q538 PolarHBondContact O-N 3.04Å; A536-Q538 VanDerWaalsContact O-N 3.13Å; A536-V566 WeakPolarHBondContact CA-O 3.12Å; A536-V566 HydrophobicContact CB-CG1 3.96Å; A536-V568 HydrophobicContact CB-CB 3.78Å; A536-V568 HydrophobicContact CB-CG1 3.94Å; A536-V573 HydrophobicContact CB-CG1 4.3Å
537E90.9Very high93Very high81 Ų8127.7 Ų27.738%0.37916%0.155SC..SBendtrans-57.5118.4178.7178.5175.1-172.400111.9Q541 Y543 V566 Q567E537-Q541 WeakPolarHBondContact CA-O 3.45Å; E537-Y543 HydrophobicContact CB-CD1 3.97Å; E537-Y543 HydrophobicContact CB-CG 4.49Å; E537-Y543 WeakPolarHBondContact OE2-CD1 3.43Å; E537-V566 PolarHBondContact N-O 2.92Å; E537-Q567 PolarHBondContact OE2-NE2 3.41Å
538Q88.6Confident92.7Very high61 Ų6127.8 Ų27.829%0.28516%0.155SC..BIsolated β-bridgetrans-168.2158179.566.4-169.34.700110.7Y535 A536 G540 Q541Y535-Q538 HydrophobicContact CE1-CG 3.96Å; Y535-Q538 HydrophobicContact CE2-CG 4.3Å; Y535-Q538 WeakPolarHBondContact OH-CG 3.46Å; Y535-Q538 PolarHBondContact OH-O 3Å; A536-Q538 WeakPolarHBondContact O-CG 3.28Å; A536-Q538 PolarHBondContact O-N 3.04Å; A536-Q538 VanDerWaalsContact O-N 3.13Å; Q538-G540 PolarHBondContact O-N 3.5Å; Q538-Q541 PolarHBondContact N-O 2.79Å; Q538-Q541 PolarHBondContact O-N 3.15Å; Q538-Q541 VanDerWaalsContact O-N 3.08Å
539G83.9Confident92.2Very high55 Ų5529.1 Ų29.157%0.56716%0.163SC*.THydrogen-bonded Turntrans61.127.1174.700000114.3Q541G539-Q541 PolarHBondContact O-N 2.91Å
540G86.7Confident91.7Very high28 Ų2830.7 Ų30.729%0.28917%0.17SC..THydrogen-bonded Turntrans79.8-11.5-175.400000115.1Q538 L628 V629Q538-G540 PolarHBondContact O-N 3.5Å; G540-L628 CarbonylContact O-C 3.32Å; G540-L628 VanDerWaalsContact O-CA 3.31Å; G540-L628 WeakPolarHBondContact O-CA 3.45Å; G540-V629 PolarHBondContact O-N 3.22Å
541Q93.6Very high90.6Very high0 Ų031.9 Ų31.90%018%0.176CC..BIsolated β-bridgetrans-83130.1171.9173.5177.3-2500110.7Y535 E537 Q538 G539 V601 H605 V629 T726Y535-Q541 HydrophobicContact CD1-CB 4.5Å; Y535-Q541 HydrophobicContact CD1-CG 3.83Å; Y535-Q541 HydrophobicContact CE1-CB 3.62Å; Y535-Q541 VanDerWaalsContact CE1-CD 3.49Å; Y535-Q541 HydrophobicContact CE1-CG 3.43Å; Y535-Q541 VanDerWaalsContact CE1-CG 3.43Å; E537-Q541 WeakPolarHBondContact CA-O 3.45Å; Q538-Q541 PolarHBondContact N-O 2.79Å; Q538-Q541 PolarHBondContact O-N 3.15Å; Q538-Q541 VanDerWaalsContact O-N 3.08Å; G539-Q541 PolarHBondContact O-N 2.91Å; Q541-V601 HydrophobicContact CG-CG1 3.54Å; Q541-H605 PolarHBondContact OE1-CE1 2.93Å; Q541-H605 PolarHBondContact OE1-ND1 3.19Å; Q541-V629 HydrophobicContact CB-CB 4.38Å; Q541-T726 PolarHBondContact NE2-OG1 2.78Å; Q541-T726 PolarHBondContact OE1-OG1 2.96Å
542I90.4Very high89.3Confident26 Ų2634.2 Ų34.213%0.13319%0.187CC..PPolyproline II helixtrans-73155.4176.373.1172.9000111.8L628 V629 A630 P631I542-L628 HydrophobicContact CG2-CD1 3.59Å; I542-V629 PolarHBondContact N-O 3.39Å; I542-A630 HydrophobicContact CD1-CB 4.09Å; I542-P631 VanDerWaalsContact CD1-CD 3.47Å; I542-P631 HydrophobicContact CD1-CG 4.32Å
543Y94.6Very high87.1Confident56 Ų5639.4 Ų39.422%0.2223%0.23CC..PPolyproline II helixtrans-56.8161.2177.453.5-101.6000113.2Y535 E537 E545 K564 N565 V566 R597Y535-Y543 WeakPolarHBondContact O-CA 3.47Å; E537-Y543 HydrophobicContact CB-CD1 3.97Å; E537-Y543 HydrophobicContact CB-CG 4.49Å; E537-Y543 WeakPolarHBondContact OE2-CD1 3.43Å; Y543-E545 HydrophobicContact CD2-CG 4.38Å; Y543-E545 HydrophobicContact CE2-CG 4.16Å; Y543-K564 WeakPolarHBondContact CE2-O 3.45Å; Y543-N565 WeakPolarHBondContact CD1-OD1 3.47Å; Y543-N565 HydrophobicContact CD2-CB 4.44Å; Y543-N565 HydrophobicContact CE1-CB 4.35Å; Y543-N565 WeakPolarHBondContact CE1-OD1 3.35Å; Y543-N565 HydrophobicContact CE2-CB 4.22Å; Y543-V566 VanDerWaalsContact CB-O 3.26Å; Y543-V566 WeakPolarHBondContact CB-O 3.5Å; Y543-R597 PolarHBondContact O-NH1 2.69Å; Y543-R597 PolarHBondContact O-NH2 2.95Å
544D92.7Very high85Confident0 Ų042.7 Ų42.70%027%0.266CS..PPolyproline II helixtrans-84.5159167.6-69.8-57.3000113.9F534 Y535 V566 R598F534-D544 HydrophobicContact CD1-CB 3.85Å; Y535-D544 WeakPolarHBondContact CA-OD2 3.43Å; Y535-D544 WeakPolarHBondContact CB-OD2 3.3Å; Y535-D544 PolarHBondContact N-OD2 2.76Å; Y535-D544 PolarHBondContact O-N 3.15Å; D544-V566 WeakPolarHBondContact O-CG2 3.46Å; D544-R598 IonicContact OD1-CZ 2.96Å; D544-R598 IonicContact OD1-NE 3.95Å; D544-R598 PolarHBondContact OD1-NE 3.43Å; D544-R598 IonicContact OD1-NH2 3.09Å; D544-R598 IonicContact OD2-CZ 3.91Å; D544-R598 IonicContact OD2-NE 2.65Å; D544-R598 PolarHBondContact OD2-NE 3.24Å; D544-R598 IonicContact OD2-NH2 3.94Å; D544-R598 PolarHBondContact OD2-NH2 3.39Å
545E87.3Confident83Confident70 Ų7052.1 Ų52.133%0.32730%0.301SS..  trans-119.9163.7170.4-71164.6-131.300108.4Y543 D594 R597Y543-E545 HydrophobicContact CD2-CG 4.38Å; Y543-E545 HydrophobicContact CE2-CG 4.16Å; E545-D594 PolarHBondContact O-N 2.74Å; E545-R597 IonicContact OE1-CZ 3.85Å; E545-R597 VanDerWaalsContact OE1-CZ 3.31Å; E545-R597 IonicContact OE1-NE 2.88Å; E545-R597 PolarHBondContact OE1-NE 3.02Å; E545-R597 IonicContact OE1-NH2 2.68Å; E545-R597 PolarHBondContact OE1-NH2 2.88Å; E545-R597 IonicContact OE2-NE 3.67Å
546G87.5Confident80.7Confident11 Ų1161.7 Ų61.711%0.11335%0.346CS..EExtended strand (participates in β ladder)trans161-152.1-178.200000111.7V563 S592G546-V563 PolarHBondContact N-O 2.88Å; G546-V563 PolarHBondContact O-N 3.02Å; G546-S592 CarbonylContact C-O 3.5Å; G546-S592 VanDerWaalsContact CA-O 3.27Å; G546-S592 WeakPolarHBondContact CA-O 3.44Å
547Y86.8Confident78.9Confident102 Ų10268.4 Ų68.440%0.438%0.382SS..EExtended strand (participates in β ladder)trans-147.2157.8179.660.6-83.8000111.6V549 F561 S592Y547-V549 HydrophobicContact CD2-CG2 3.56Å; Y547-V549 HydrophobicContact CE2-CG2 3.69Å; Y547-F561 CarbonylContact C-O 3.49Å; Y547-F561 WeakPolarHBondContact CA-O 3.38Å; Y547-S592 WeakPolarHBondContact CE2-OG 3.3Å; Y547-S592 PolarHBondContact N-O 2.95Å; Y547-S592 PolarHBondContact O-N 3.32Å; Y547-S592 VanDerWaalsContact O-O 3.13Å; Y547-S592 PolarHBondContact OH-OG 3.23Å
548M91.1Very high77.8Confident2 Ų272.3 Ų72.31%0.0140%0.398CS..EExtended strand (participates in β ladder)trans-120.5131.4172.9-48.5179.8174.400108.5I527 L529 F534 E560 F561 V563 H575 V589 H590 L591I527-M548 HydrophobicContact CD1-SD 4.33Å; I527-M548 HydrophobicContact CG2-SD 4.49Å; L529-M548 HydrophobicContact CD1-CE 3.77Å; L529-M548 HydrophobicContact CD1-SD 4.2Å; F534-M548 HydrophobicContact CE2-CE 4.43Å; M548-E560 CarbonylContact O-C 3.56Å; M548-E560 WeakPolarHBondContact O-CA 3.45Å; M548-F561 HydrophobicContact CB-CB 4.25Å; M548-F561 HydrophobicContact CG-CD1 4.21Å; M548-F561 PolarHBondContact N-O 2.87Å; M548-F561 PolarHBondContact O-N 2.7Å; M548-F561 HydrophobicContact SD-CD1 3.96Å; M548-V563 HydrophobicContact CE-CG2 3.76Å; M548-V563 HydrophobicContact CG-CG2 3.94Å; M548-V563 HydrophobicContact SD-CG2 4.42Å; M548-H575 HydrophobicContact CE-CB 3.48Å; M548-H575 VanDerWaalsContact CE-CB 3.48Å; M548-H575 WeakPolarHBondContact CE-CD2 3.27Å; M548-V589 HydrophobicContact CB-CB 4.18Å; M548-V589 HydrophobicContact CB-CG2 4.45Å; M548-V589 HydrophobicContact SD-CG2 4.42Å; M548-H590 CarbonylContact C-O 3.09Å; M548-H590 VanDerWaalsContact CA-O 3.24Å; M548-H590 WeakPolarHBondContact CA-O 3.45Å; M548-L591 HydrophobicContact CB-CD2 4.13Å; M548-L591 HydrophobicContact CE-CD2 4.02Å; M548-L591 HydrophobicContact CG-CD2 3.62Å; M548-L591 HydrophobicContact SD-CD2 3.84Å
549V86.9Confident77.4Confident29 Ų2970 Ų7018%0.17639%0.388CS..EExtended strand (participates in β ladder)trans-114.3126.3178.1-172.90000108.9Y547 D551 V589 H590Y547-V549 HydrophobicContact CD2-CG2 3.56Å; Y547-V549 HydrophobicContact CE2-CG2 3.69Å; V549-D551 PolarHBondContact O-N 2.65Å; V549-V589 CarbonylContact O-C 3.56Å; V549-V589 VanDerWaalsContact O-CA 3.29Å; V549-V589 WeakPolarHBondContact O-CA 3.28Å; V549-H590 PolarHBondContact N-O 3.48Å; V549-H590 PolarHBondContact O-N 3.29Å
550K86.8Confident77.4Confident36 Ų3671.2 Ų71.216%0.15738%0.379CS..EExtended strand (participates in β ladder)trans-63.2133.6175.2-176.2173.3173.7163.40110.6D552 T559 L583 D587 Q588K550-D552 WeakPolarHBondContact CD-OD2 3.46Å; K550-D552 WeakPolarHBondContact CE-OD1 3.45Å; K550-D552 VanDerWaalsContact CE-OD2 3.26Å; K550-D552 WeakPolarHBondContact CE-OD2 3.31Å; K550-D552 IonicContact NZ-OD2 2.71Å; K550-D552 PolarHBondContact O-N 2.95Å; K550-T559 HydrophobicContact CB-CG2 4.23Å; K550-T559 PolarHBondContact N-O 2.77Å; K550-L583 HydrophobicContact CB-CD1 4.47Å; K550-L583 HydrophobicContact CD-CD1 4.37Å; K550-D587 HydrophobicContact CD-CB 4.47Å; K550-D587 VanDerWaalsContact CE-CG 3.45Å; K550-D587 WeakPolarHBondContact CE-OD1 3.43Å; K550-D587 WeakPolarHBondContact CE-OD2 3.44Å; K550-D587 IonicContact NZ-OD1 3.62Å; K550-D587 PolarHBondContact NZ-OD1 3.08Å; K550-D587 IonicContact NZ-OD2 2.9Å; K550-D587 PolarHBondContact NZ-OD2 2.84Å; K550-Q588 WeakPolarHBondContact CA-O 3.39Å
551D75.1Confident77.5Confident78 Ų7870 Ų7042%0.41737%0.366SS..  trans-78.683.6174.6-169.413.9000110.1V549 Q588 H590V549-D551 PolarHBondContact O-N 2.65Å; D551-Q588 HydrophobicContact CB-CB 4.34Å; D551-Q588 PolarHBondContact N-O 2.8Å; D551-H590 IonicContact OD1-NE2 2.74Å; D551-H590 IonicContact OD2-NE2 3.05Å
552D69.1Low77Confident70 Ų7072.8 Ų72.837%0.37438%0.382SS..  trans-110.795176.3-93-29.7000110K550 G554K550-D552 WeakPolarHBondContact CD-OD2 3.46Å; K550-D552 WeakPolarHBondContact CE-OD1 3.45Å; K550-D552 VanDerWaalsContact CE-OD2 3.26Å; K550-D552 WeakPolarHBondContact CE-OD2 3.31Å; K550-D552 IonicContact NZ-OD2 2.71Å; K550-D552 PolarHBondContact O-N 2.95Å; D552-G554 VanDerWaalsContact C-N 3.33Å; D552-G554 PolarHBondContact O-N 3.21Å
553A53.2Low77.1Confident110 Ų11071.6 Ų71.691%0.90938%0.377SS*.THydrogen-bonded Turntrans-6686.7172.500000111.1
554G51.9Low76.6Confident79 Ų7973.9 Ų73.981%0.81439%0.388SS*.THydrogen-bonded Turntrans124.516.9162.900000118.9D552D552-G554 VanDerWaalsContact C-N 3.33Å; D552-G554 PolarHBondContact O-N 3.21Å
555R52.6Low76.5Confident199 Ų19975.5 Ų75.575%0.75140%0.396SS*.  trans-110.3140.5170.1-71.9-171.8176.4-166.91112D557R555-D557 VanDerWaalsContact C-N 3.32Å
556E49.3Very low76.9Confident202 Ų20272.1 Ų72.194%0.94438%0.381SS*.SBendtrans-70.7-25.8178.9-72.8-176.416000112.9K558E556-K558 PolarHBondContact O-N 3.5Å
557D58.7Low77.1Confident141 Ų14172.4 Ų72.475%0.75438%0.379SS*.SBendtrans-89102176-68.3-32.7000110.9R555 T559R555-D557 VanDerWaalsContact C-N 3.32Å; D557-T559 PolarHBondContact O-N 2.91Å
558K67.8Low77.3Confident163 Ų16369 Ų6971%0.70937%0.368SS*.  trans-74.5121.9175.4-67.9-173.3178.6-174.90110.6E556E556-K558 PolarHBondContact O-N 3.5Å
559T80.3Confident76.9Confident14 Ų1474.5 Ų74.59%0.08639%0.389CS..  trans-77.2123.7167.9-65.90000109.3K550 D557 L579 Y580 S582 L583K550-T559 HydrophobicContact CB-CG2 4.23Å; K550-T559 PolarHBondContact N-O 2.77Å; D557-T559 PolarHBondContact O-N 2.91Å; T559-L579 HydrophobicContact CG2-CD1 3.79Å; T559-Y580 CarbonylContact C-O 3.3Å; T559-Y580 WeakPolarHBondContact CA-O 3.42Å; T559-S582 WeakPolarHBondContact CG2-O 3.33Å; T559-S582 PolarHBondContact OG1-N 2.87Å; T559-S582 PolarHBondContact OG1-O 3.15Å; T559-L583 HydrophobicContact CG2-CB 4.48Å
560E84.3Confident76.5Confident79 Ų7974.6 Ų74.637%0.36940%0.396SS..EExtended strand (participates in β ladder)trans-130.6135.1-178.7-175.7-179.699.500110.4M548 Y580M548-E560 CarbonylContact O-C 3.56Å; M548-E560 WeakPolarHBondContact O-CA 3.45Å; E560-Y580 PolarHBondContact N-O 3.35Å; E560-Y580 PolarHBondContact O-N 2.77Å
561F88.6Confident76.5Confident3 Ų374.3 Ų74.31%0.01340%0.403CS..EExtended strand (participates in β ladder)trans-114.3117.1172.6178.6-101.5000109.8C525 I527 Y547 M548 V563 H575 G577 L579C525-F561 VanDerWaalsContact SG-CE2 3.56Å; I527-F561 HydrophobicContact CD1-CB 4.17Å; I527-F561 HydrophobicContact CD1-CD1 3.5Å; I527-F561 VanDerWaalsContact CD1-CD1 3.5Å; I527-F561 HydrophobicContact CD1-CD2 3.58Å; I527-F561 HydrophobicContact CD1-CE1 3.56Å; I527-F561 HydrophobicContact CD1-CE2 3.66Å; I527-F561 HydrophobicContact CD1-CG 3.48Å; I527-F561 VanDerWaalsContact CD1-CG 3.48Å; I527-F561 HydrophobicContact CD1-CZ 3.61Å; I527-F561 HydrophobicContact CG1-CE1 4.1Å; I527-F561 HydrophobicContact CG1-CE2 4.14Å; I527-F561 HydrophobicContact CG1-CZ 3.87Å; Y547-F561 CarbonylContact C-O 3.49Å; Y547-F561 WeakPolarHBondContact CA-O 3.38Å; M548-F561 HydrophobicContact CB-CB 4.25Å; M548-F561 HydrophobicContact CG-CD1 4.21Å; M548-F561 PolarHBondContact N-O 2.87Å; M548-F561 PolarHBondContact O-N 2.7Å; M548-F561 HydrophobicContact SD-CD1 3.96Å; F561-V563 HydrophobicContact CD1-CG2 3.82Å; F561-V563 HydrophobicContact CE1-CG2 3.91Å; F561-H575 HydrophobicContact CE1-CB 4.34Å; F561-H575 WeakPolarHBondContact CZ-O 3.48Å; F561-G577 VanDerWaalsContact CZ-N 3.31Å; F561-L579 HydrophobicContact CB-CD1 3.96Å; F561-L579 HydrophobicContact CD2-CB 4.05Å; F561-L579 HydrophobicContact CD2-CD1 4.24Å
562T83.2Confident77.3Confident58 Ų5870.8 Ų70.836%0.35638%0.384SS..EExtended strand (participates in β ladder)trans-84.1117.9176.2-49.80000109.9G577 T578T562-G577 CarbonylContact O-C 3.56Å; T562-G577 WeakPolarHBondContact O-CA 3.36Å; T562-T578 PolarHBondContact N-O 2.79Å; T562-T578 PolarHBondContact O-N 2.78Å
563V90.9Very high78.6Confident2 Ų267.5 Ų67.51%0.01237%0.367CS..EExtended strand (participates in β ladder)trans-85.7120.5178.3-173.90000109.5F534 G546 M548 F561 V566 H575F534-V563 HydrophobicContact CD1-CG1 4.09Å; F534-V563 HydrophobicContact CE1-CB 3.84Å; F534-V563 HydrophobicContact CE1-CG1 3.88Å; F534-V563 HydrophobicContact CE1-CG2 3.93Å; F534-V563 HydrophobicContact CZ-CB 4.28Å; F534-V563 HydrophobicContact CZ-CG2 3.88Å; G546-V563 PolarHBondContact N-O 2.88Å; G546-V563 PolarHBondContact O-N 3.02Å; M548-V563 HydrophobicContact CE-CG2 3.76Å; M548-V563 HydrophobicContact CG-CG2 3.94Å; M548-V563 HydrophobicContact SD-CG2 4.42Å; F561-V563 HydrophobicContact CD1-CG2 3.82Å; F561-V563 HydrophobicContact CE1-CG2 3.91Å; V563-V566 HydrophobicContact CG1-CG2 3.51Å; V563-H575 HydrophobicContact CG1-CB 4.26Å
564K84.8Confident80.7Confident103 Ų10362.3 Ų62.345%0.44832%0.324SS..EExtended strand (participates in β ladder)trans-109.4-21.6-178.7-66.6175.8177.8165.20113.4Y543 I576 T578Y543-K564 WeakPolarHBondContact CE2-O 3.45Å; K564-I576 PolarHBondContact N-O 3.29Å; K564-T578 PolarHBondContact NZ-OG1 3.27Å
565N90.1Very high82.9Confident34 Ų3458.6 Ų58.618%0.18229%0.285CS..EExtended strand (participates in β ladder)trans-154.9147.6179.3-170.2-18.5000109.5Y543 Q567 I576Y543-N565 WeakPolarHBondContact CD1-OD1 3.47Å; Y543-N565 HydrophobicContact CD2-CB 4.44Å; Y543-N565 HydrophobicContact CE1-CB 4.35Å; Y543-N565 WeakPolarHBondContact CE1-OD1 3.35Å; Y543-N565 HydrophobicContact CE2-CB 4.22Å; N565-Q567 WeakPolarHBondContact OD1-CG 3.47Å; N565-Q567 PolarHBondContact OD1-NE2 3.17Å; N565-I576 HydrophobicContact CB-CB 4.2Å; N565-I576 PolarHBondContact N-O 3.16Å; N565-I576 VanDerWaalsContact N-O 3.13Å; N565-I576 PolarHBondContact O-N 3.06Å
566V96.2Very high84.9Confident0 Ų049.5 Ų49.50%025%0.252CS..EExtended strand (participates in β ladder)trans-134.8124.1177.2-172.90000109.4F534 A536 E537 Y543 D544 V563 V573 L574F534-V566 HydrophobicContact CB-CG1 4.24Å; F534-V566 HydrophobicContact CB-CG2 4.09Å; F534-V566 HydrophobicContact CD1-CG2 3.9Å; F534-V566 HydrophobicContact CG-CG2 4.34Å; A536-V566 WeakPolarHBondContact CA-O 3.12Å; A536-V566 HydrophobicContact CB-CG1 3.96Å; E537-V566 PolarHBondContact N-O 2.92Å; Y543-V566 VanDerWaalsContact CB-O 3.26Å; Y543-V566 WeakPolarHBondContact CB-O 3.5Å; D544-V566 WeakPolarHBondContact O-CG2 3.46Å; V563-V566 HydrophobicContact CG1-CG2 3.51Å; V566-V573 HydrophobicContact CG1-CG1 3.38Å; V566-L574 WeakPolarHBondContact CA-O 3.47Å
567Q92.5Very high86.8Confident16 Ų1639.9 Ų39.98%0.07521%0.207CC..EExtended strand (participates in β ladder)trans-129.6150-174.8-63.6-67.9-41.900110.4M464 E537 N565 L574 I576M464-Q567 HydrophobicContact CE-CB 4.24Å; M464-Q567 HydrophobicContact CE-CG 3.92Å; M464-Q567 HydrophobicContact SD-CB 4.24Å; M464-Q567 HydrophobicContact SD-CG 4.04Å; E537-Q567 PolarHBondContact OE2-NE2 3.41Å; N565-Q567 WeakPolarHBondContact OD1-CG 3.47Å; N565-Q567 PolarHBondContact OD1-NE2 3.17Å; Q567-L574 PolarHBondContact N-O 2.68Å; Q567-L574 PolarHBondContact O-N 3.1Å; Q567-I576 HydrophobicContact CG-CD1 4.44Å
568V89.1Confident88Confident30 Ų3034.9 Ų34.918%0.18218%0.181CC..EExtended strand (participates in β ladder)trans-118.1129.9176.262.60000110.9A536 Y572 V573A536-V568 HydrophobicContact CB-CB 3.78Å; A536-V568 HydrophobicContact CB-CG1 3.94Å; V568-Y572 WeakPolarHBondContact CA-O 3.45Å; V568-V573 HydrophobicContact CG2-CG2 4.35Å
569R83.3Confident88.9Confident118 Ų11827.3 Ų27.345%0.44515%0.148SC..EExtended strand (participates in β ladder)trans-145.4124.9178.1-68.7-66.7-180-108.96110.2L465 I470 G571 Y572L465-R569 HydrophobicContact CB-CB 4.1Å; L465-R569 HydrophobicContact CD1-CB 4.49Å; I470-R569 HydrophobicContact CD1-CB 4.06Å; R569-G571 PolarHBondContact O-N 3.31Å; R569-Y572 PolarHBondContact N-O 3.39Å; R569-Y572 VanDerWaalsContact N-O 3.07Å; R569-Y572 PolarHBondContact O-N 3.46Å
570G79.2Confident88.8Confident31 Ų3134.2 Ų34.232%0.3217%0.174SC..THydrogen-bonded Turntrans6024.9178.300000114.8
571G85.6Confident88.8Confident30 Ų3031.3 Ų31.331%0.30917%0.165SC..THydrogen-bonded Turntrans87.3-6.6-175.300000115.3V480 T481 R569V480-G571 WeakPolarHBondContact CB-O 3.49Å; T481-G571 PolarHBondContact N-O 3.18Å; T481-G571 VanDerWaalsContact N-O 3.1Å; R569-G571 PolarHBondContact O-N 3.31Å
572Y93.8Very high88.7Confident4 Ų432.9 Ų32.92%0.01618%0.177CC..EExtended strand (participates in β ladder)trans-92.1131.5176.2-59-77.8000110.6I470 L473 R474 L478 E479 I528 V568 R569I470-Y572 HydrophobicContact CG2-CD2 4.32Å; I470-Y572 HydrophobicContact CG2-CE2 4.05Å; L473-Y572 HydrophobicContact CB-CE1 4.2Å; L473-Y572 HydrophobicContact CB-CE2 4.07Å; L473-Y572 HydrophobicContact CD1-CD1 4.19Å; L473-Y572 HydrophobicContact CD1-CD2 3.92Å; L473-Y572 HydrophobicContact CD1-CE1 4.4Å; L473-Y572 HydrophobicContact CD1-CE2 4.14Å; L473-Y572 HydrophobicContact CD1-CG 3.94Å; R474-Y572 HydrophobicContact CG-CE2 4.37Å; R474-Y572 WeakPolarHBondContact CG-OH 3.41Å; L478-Y572 HydrophobicContact CB-CE1 4.24Å; L478-Y572 PolarHBondContact O-OH 3.5Å; E479-Y572 VanDerWaalsContact O-CE1 3.3Å; E479-Y572 WeakPolarHBondContact O-CE1 3.33Å; I528-Y572 HydrophobicContact CG2-CD1 4.21Å; V568-Y572 WeakPolarHBondContact CA-O 3.45Å; R569-Y572 PolarHBondContact N-O 3.39Å; R569-Y572 VanDerWaalsContact N-O 3.07Å; R569-Y572 PolarHBondContact O-N 3.46Å
573V96.2Very high89.1Confident1 Ų130.2 Ų30.21%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-93.8115.3173.8-177.50000109.5T481 D483 T532 A536 V566 V568 H575T481-V573 HydrophobicContact CG2-CB 3.95Å; T481-V573 HydrophobicContact CG2-CG2 4.02Å; T481-V573 PolarHBondContact OG1-N 3.16Å; D483-V573 HydrophobicContact CB-CG2 4.04Å; T532-V573 HydrophobicContact CG2-CB 4.1Å; T532-V573 HydrophobicContact CG2-CG1 3.97Å; T532-V573 HydrophobicContact CG2-CG2 4.2Å; A536-V573 HydrophobicContact CB-CG1 4.3Å; V566-V573 HydrophobicContact CG1-CG1 3.38Å; V568-V573 HydrophobicContact CG2-CG2 4.35Å; V573-H575 PolarHBondContact O-ND1 3.13Å
574L96.8Very high89.3Confident2 Ų234.4 Ų34.41%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-97.7118.9179.6-172.173.8000110.3L463 L465 I528 V566 Q567 I576L463-L574 VanDerWaalsContact O-CD2 3.31Å; L463-L574 WeakPolarHBondContact O-CD2 3.41Å; L465-L574 HydrophobicContact CD1-CB 4.27Å; L465-L574 HydrophobicContact CD1-CD1 4.48Å; L465-L574 HydrophobicContact CD2-CD1 4.39Å; L465-L574 HydrophobicContact CG-CD1 4.32Å; L465-L574 HydrophobicContact CG-CD2 4.23Å; I528-L574 HydrophobicContact CD1-CD1 4.4Å; I528-L574 HydrophobicContact CG1-CD1 3.87Å; V566-L574 WeakPolarHBondContact CA-O 3.47Å; Q567-L574 PolarHBondContact N-O 2.68Å; Q567-L574 PolarHBondContact O-N 3.1Å; L574-I576 HydrophobicContact CD2-CD1 3.96Å; L574-I576 HydrophobicContact CD2-CG1 3.79Å; L574-I576 HydrophobicContact CG-CG1 4.01Å
575H97.6Very high89.9Confident0 Ų031.8 Ų31.80%017%0.171CC..EExtended strand (participates in β ladder)trans-98.8109.4176.1-49.479.5000109.1G526 I527 T532 F534 M548 F561 V563 V573G526-H575 CarbonylContact C-O 3.48Å; G526-H575 VanDerWaalsContact CA-O 3.31Å; G526-H575 WeakPolarHBondContact CA-O 3.47Å; I527-H575 HydrophobicContact CB-CB 4.43Å; I527-H575 PolarHBondContact N-O 3.02Å; I527-H575 PolarHBondContact O-N 3.28Å; I527-H575 PolarHBondContact O-ND1 3.33Å; T532-H575 WeakPolarHBondContact CB-NE2 3.01Å; T532-H575 PolarHBondContact OG1-NE2 3.43Å; F534-H575 AromaticContact CG-CD2 3.99Å; M548-H575 HydrophobicContact CE-CB 3.48Å; M548-H575 VanDerWaalsContact CE-CB 3.48Å; M548-H575 WeakPolarHBondContact CE-CD2 3.27Å; F561-H575 HydrophobicContact CE1-CB 4.34Å; F561-H575 WeakPolarHBondContact CZ-O 3.48Å; V563-H575 HydrophobicContact CG1-CB 4.26Å; V573-H575 PolarHBondContact O-ND1 3.13Å
576I94.8Very high90.1Very high9 Ų932.5 Ų32.55%0.04619%0.186CC..EExtended strand (participates in β ladder)trans-98.2130.9-175.4-56.4171.1000108.9L463 M464 K564 N565 Q567 L574L463-I576 HydrophobicContact CD1-CG2 3.74Å; M464-I576 HydrophobicContact SD-CD1 4.17Å; K564-I576 PolarHBondContact N-O 3.29Å; N565-I576 HydrophobicContact CB-CB 4.2Å; N565-I576 PolarHBondContact N-O 3.16Å; N565-I576 VanDerWaalsContact N-O 3.13Å; N565-I576 PolarHBondContact O-N 3.06Å; Q567-I576 HydrophobicContact CG-CD1 4.44Å; L574-I576 HydrophobicContact CD2-CD1 3.96Å; L574-I576 HydrophobicContact CD2-CG1 3.79Å; L574-I576 HydrophobicContact CG-CG1 4.01Å
577G88.8Confident90.1Very high0 Ų033.9 Ų33.90%019%0.193CC..EExtended strand (participates in β ladder)trans-175.8-173-169.400000114.2E524 C525 F561 T562E524-G577 VanDerWaalsContact CA-O 3.32Å; E524-G577 WeakPolarHBondContact CA-O 3.38Å; E524-G577 WeakPolarHBondContact CG-O 3.27Å; C525-G577 PolarHBondContact N-O 3.12Å; C525-G577 VanDerWaalsContact N-O 3.07Å; C525-G577 PolarHBondContact O-N 2.93Å; C525-G577 VanDerWaalsContact O-N 3.07Å; F561-G577 VanDerWaalsContact CZ-N 3.31Å; T562-G577 CarbonylContact O-C 3.56Å; T562-G577 WeakPolarHBondContact O-CA 3.36Å
578T83.4Confident90.2Very high36 Ų3638 Ų3822%0.22121%0.212CC..EExtended strand (participates in β ladder)trans-119.8131.8-179.5-50.90000109.8T562 K564T562-T578 PolarHBondContact N-O 2.79Å; T562-T578 PolarHBondContact O-N 2.78Å; K564-T578 PolarHBondContact NZ-OG1 3.27Å
579L87.9Confident90.4Very high4 Ų436.6 Ų36.62%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-91140.5179.2-174.969.8000112.4V519 T521 G522 Q523 T559 F561 L583V519-L579 HydrophobicContact CB-CD2 4.04Å; V519-L579 HydrophobicContact CG2-CD2 3.48Å; V519-L579 VanDerWaalsContact CG2-CD2 3.48Å; V519-L579 VanDerWaalsContact O-CD2 3.25Å; V519-L579 WeakPolarHBondContact O-CD2 3.42Å; T521-L579 CarbonylContact C-O 3.57Å; T521-L579 WeakPolarHBondContact CA-O 3.3Å; G522-L579 PolarHBondContact N-O 2.7Å; Q523-L579 PolarHBondContact O-N 3.48Å; Q523-L579 VanDerWaalsContact O-N 3.15Å; T559-L579 HydrophobicContact CG2-CD1 3.79Å; F561-L579 HydrophobicContact CB-CD1 3.96Å; F561-L579 HydrophobicContact CD2-CB 4.05Å; F561-L579 HydrophobicContact CD2-CD1 4.24Å; L579-L583 HydrophobicContact CD1-CB 3.94Å; L579-L583 HydrophobicContact CD2-CB 3.91Å
580Y77.6Confident90.8Very high159 Ų15933.8 Ų33.862%0.62420%0.196SC*.EExtended strand (participates in β ladder)trans-120.5111.3161.7-171.9-93000109.3T521 T559 E560T521-Y580 HydrophobicContact CG2-CD2 3.73Å; T521-Y580 HydrophobicContact CG2-CE2 4.09Å; T521-Y580 HydrophobicContact CG2-CG 4.45Å; T559-Y580 CarbonylContact C-O 3.3Å; T559-Y580 WeakPolarHBondContact CA-O 3.42Å; E560-Y580 PolarHBondContact N-O 3.35Å; E560-Y580 PolarHBondContact O-N 2.77Å
581G84.3Confident91.4Very high18 Ų1832.5 Ų32.519%0.18618%0.182CC..SBendtrans115.3-151.5-171.800000112.5S520 T521S520-G581 CarbonylContact C-O 3.55Å; S520-G581 VanDerWaalsContact C-O 3.3Å; S520-G581 VanDerWaalsContact CA-O 3.32Å; S520-G581 WeakPolarHBondContact CA-O 3.38Å; T521-G581 PolarHBondContact N-O 3.47Å; T521-G581 WeakPolarHBondContact OG1-CA 3.38Å; T521-G581 PolarHBondContact OG1-N 3.4Å; T521-G581 PolarHBondContact OG1-O 3.48Å
582S87.8Confident91.4Very high36 Ų3632.7 Ų32.725%0.25218%0.178SC..EExtended strand (participates in β ladder)trans-130.8129.3175.1161.40000110.1E518 V519 T559E518-S582 PolarHBondContact OE1-OG 3.03Å; V519-S582 WeakPolarHBondContact O-CA 3.08Å; T559-S582 WeakPolarHBondContact CG2-O 3.33Å; T559-S582 PolarHBondContact OG1-N 2.87Å; T559-S582 PolarHBondContact OG1-O 3.15Å
583L91.7Very high91.3Very high2 Ų233.1 Ų33.11%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-126.9134.9179.6-166.872.5000110V506 I509 E518 V519 I527 K550 T559 L579 D587 V589V506-L583 HydrophobicContact CG2-CD1 4.21Å; V506-L583 HydrophobicContact CG2-CD2 3.94Å; V506-L583 HydrophobicContact CG2-CG 4.14Å; I509-L583 WeakPolarHBondContact CD1-O 3.29Å; E518-L583 WeakPolarHBondContact CA-O 3.43Å; V519-L583 HydrophobicContact CG2-CB 4.2Å; V519-L583 PolarHBondContact N-O 3.31Å; V519-L583 PolarHBondContact O-N 3.36Å; V519-L583 VanDerWaalsContact O-N 3.15Å; I527-L583 HydrophobicContact CD1-CD2 3.39Å; I527-L583 HydrophobicContact CG1-CD2 4.34Å; K550-L583 HydrophobicContact CB-CD1 4.47Å; K550-L583 HydrophobicContact CD-CD1 4.37Å; T559-L583 HydrophobicContact CG2-CB 4.48Å; L579-L583 HydrophobicContact CD1-CB 3.94Å; L579-L583 HydrophobicContact CD2-CB 3.91Å; L583-D587 HydrophobicContact CD1-CB 3.86Å; L583-V589 HydrophobicContact CD1-CG1 3.75Å
584K95.1Very high90.8Very high89 Ų8936.2 Ų36.239%0.38720%0.197SC..EExtended strand (participates in β ladder)trans-121.8154.9-177.1-62.9-175.6177.4-1570111.8E517 E518 G586 D587E517-K584 VanDerWaalsContact O-CA 3.28Å; E517-K584 WeakPolarHBondContact O-CA 3.39Å; E518-K584 HydrophobicContact CB-CG 4.03Å; E518-K584 HydrophobicContact CG-CG 3.92Å; E518-K584 WeakPolarHBondContact OE1-CE 3.48Å; E518-K584 IonicContact OE1-NZ 3.44Å; E518-K584 WeakPolarHBondContact OE2-CE 3.27Å; E518-K584 IonicContact OE2-NZ 3.19Å; E518-K584 PolarHBondContact OE2-NZ 2.87Å; K584-G586 PolarHBondContact O-N 2.85Å; K584-D587 PolarHBondContact N-OD2 3.05Å; K584-D587 WeakPolarHBondContact O-CB 3.16Å; K584-D587 PolarHBondContact O-N 2.95Å; K584-D587 VanDerWaalsContact O-N 3.11Å
585V96.2Very high90.4Very high49 Ų4940.6 Ų40.630%0.29722%0.218SC..THydrogen-bonded Turntrans-58.2131.1165.2178.10000109.1K507 I509 E517K507-V585 WeakPolarHBondContact O-CG1 3.47Å; I509-V585 HydrophobicContact CD1-CG2 4.16Å; I509-V585 HydrophobicContact CG1-CG2 4.16Å; E517-V585 PolarHBondContact O-N 3.35Å
586G95Very high89.8Confident48 Ų4845.8 Ų45.850%0.49525%0.249SC..THydrogen-bonded Turntrans94.9-12.1-17500000115.1V506 K584V506-G586 PolarHBondContact O-N 3.01Å; K584-G586 PolarHBondContact O-N 2.85Å
587D94.9Very high89.5Confident29 Ų2946.4 Ų46.416%0.15525%0.251CS..  trans-65.5146.4175.8-76.2-23000111.5T505 V506 K550 L583 K584T505-D587 WeakPolarHBondContact CA-O 3.4Å; V506-D587 HydrophobicContact CG2-CB 4.49Å; V506-D587 PolarHBondContact N-O 3.32Å; K550-D587 HydrophobicContact CD-CB 4.47Å; K550-D587 VanDerWaalsContact CE-CG 3.45Å; K550-D587 WeakPolarHBondContact CE-OD1 3.43Å; K550-D587 WeakPolarHBondContact CE-OD2 3.44Å; K550-D587 IonicContact NZ-OD1 3.62Å; K550-D587 PolarHBondContact NZ-OD1 3.08Å; K550-D587 IonicContact NZ-OD2 2.9Å; K550-D587 PolarHBondContact NZ-OD2 2.84Å; L583-D587 HydrophobicContact CD1-CB 3.86Å; K584-D587 PolarHBondContact N-OD2 3.05Å; K584-D587 WeakPolarHBondContact O-CB 3.16Å; K584-D587 PolarHBondContact O-N 2.95Å; K584-D587 VanDerWaalsContact O-N 3.11Å
588Q95.5Very high89.7Confident102 Ų10246.5 Ų46.548%0.47725%0.251SS..EExtended strand (participates in β ladder)trans-93137171.2-67.2-166.1-45.700110.6V503 A504 K550 D551V503-Q588 HydrophobicContact CG1-CB 4.14Å; A504-Q588 WeakPolarHBondContact O-CA 3.38Å; K550-Q588 WeakPolarHBondContact CA-O 3.39Å; D551-Q588 HydrophobicContact CB-CB 4.34Å; D551-Q588 PolarHBondContact N-O 2.8Å
589V93.6Very high90.1Very high2 Ų247.1 Ų47.11%0.01225%0.25CC..EExtended strand (participates in β ladder)trans-131.8135.8-178.8-67.10000111V503 A504 V506 L529 M548 V549 L583 L591V503-V589 WeakPolarHBondContact CA-O 3.4Å; A504-V589 PolarHBondContact N-O 3.27Å; A504-V589 PolarHBondContact O-N 3.29Å; V506-V589 HydrophobicContact CG2-CG1 4.16Å; V506-V589 HydrophobicContact CG2-CG2 4.36Å; L529-V589 HydrophobicContact CD2-CG2 3.93Å; M548-V589 HydrophobicContact CB-CB 4.18Å; M548-V589 HydrophobicContact CB-CG2 4.45Å; M548-V589 HydrophobicContact SD-CG2 4.42Å; V549-V589 CarbonylContact O-C 3.56Å; V549-V589 VanDerWaalsContact O-CA 3.29Å; V549-V589 WeakPolarHBondContact O-CA 3.28Å; L583-V589 HydrophobicContact CD1-CG1 3.75Å; V589-L591 HydrophobicContact CG2-CD2 3.76Å
590H91.8Very high90.2Very high59 Ų5949 Ų4927%0.27326%0.263SS..EExtended strand (participates in β ladder)trans-79.5128165.5-72-91.5000109.5V503 M548 V549 D551V503-H590 WeakPolarHBondContact CG2-CE1 3.37Å; V503-H590 WeakPolarHBondContact CG2-ND1 3.41Å; M548-H590 CarbonylContact C-O 3.09Å; M548-H590 VanDerWaalsContact CA-O 3.24Å; M548-H590 WeakPolarHBondContact CA-O 3.45Å; V549-H590 PolarHBondContact N-O 3.48Å; V549-H590 PolarHBondContact O-N 3.29Å; D551-H590 IonicContact OD1-NE2 2.74Å; D551-H590 IonicContact OD2-NE2 3.05Å
591L92.1Very high91.1Very high4 Ų441.4 Ų41.42%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-97.5125.2-179-56-169.8000110.4L502 A504 L529 F534 M548 V589L502-L591 HydrophobicContact CB-CB 4.47Å; L502-L591 HydrophobicContact CD2-CD1 4.02Å; L502-L591 HydrophobicContact CG-CD1 4.35Å; L502-L591 PolarHBondContact O-N 3.48Å; A504-L591 HydrophobicContact CB-CD1 3.89Å; A504-L591 HydrophobicContact CB-CG 4.21Å; L529-L591 HydrophobicContact CD1-CD1 3.72Å; L529-L591 HydrophobicContact CD1-CD2 3.65Å; L529-L591 HydrophobicContact CD1-CG 4.31Å; F534-L591 HydrophobicContact CE2-CB 4.03Å; M548-L591 HydrophobicContact CB-CD2 4.13Å; M548-L591 HydrophobicContact CE-CD2 4.02Å; M548-L591 HydrophobicContact CG-CD2 3.62Å; M548-L591 HydrophobicContact SD-CD2 3.84Å; V589-L591 HydrophobicContact CG2-CD2 3.76Å
592S84.5Confident91.7Very high33 Ų3340.5 Ų40.523%0.23122%0.224CC..EExtended strand (participates in β ladder)trans-128.8109.3177.4-64.70000110G546 Y547G546-S592 CarbonylContact C-O 3.5Å; G546-S592 VanDerWaalsContact CA-O 3.27Å; G546-S592 WeakPolarHBondContact CA-O 3.44Å; Y547-S592 WeakPolarHBondContact CE2-OG 3.3Å; Y547-S592 PolarHBondContact N-O 2.95Å; Y547-S592 PolarHBondContact O-N 3.32Å; Y547-S592 VanDerWaalsContact O-O 3.13Å; Y547-S592 PolarHBondContact OH-OG 3.23Å
593I92.1Very high92.1Very high14 Ų1439.2 Ų39.27%0.07222%0.215CC..EExtended strand (participates in β ladder)trans-78155.1172.960.4173.9000110.7F499 F534 E595 R598F499-I593 HydrophobicContact CB-CD1 4.09Å; F499-I593 HydrophobicContact CD1-CD1 3.96Å; F499-I593 HydrophobicContact CD2-CD1 4.42Å; F499-I593 HydrophobicContact CG-CD1 3.9Å; F534-I593 HydrophobicContact CD1-CG2 3.85Å; F534-I593 HydrophobicContact CD2-CG2 3.86Å; F534-I593 HydrophobicContact CE1-CG2 3.88Å; F534-I593 HydrophobicContact CE2-CG2 3.9Å; F534-I593 HydrophobicContact CG-CG2 3.83Å; F534-I593 HydrophobicContact CZ-CG2 3.9Å; I593-E595 VanDerWaalsContact C-N 3.32Å; I593-E595 HydrophobicContact CG1-CG 4.18Å; I593-E595 PolarHBondContact O-N 3.19Å; I593-R598 HydrophobicContact CD1-CB 4.13Å; I593-R598 HydrophobicContact CD1-CG 3.95Å; I593-R598 VanDerWaalsContact CD1-CZ 3.49Å
594D86.1Confident92.4Very high66 Ų6639.2 Ų39.235%0.35322%0.215SC..  trans-70.292.7163.4-177.3-20.5000108.9E545 T596 R597 R598E545-D594 PolarHBondContact O-N 2.74Å; D594-T596 VanDerWaalsContact C-N 3.26Å; D594-T596 PolarHBondContact O-N 3.22Å; D594-T596 PolarHBondContact OD1-N 3.27Å; D594-T596 VanDerWaalsContact OD1-N 3.08Å; D594-R597 HydrophobicContact CB-CB 3.87Å; D594-R597 PolarHBondContact O-N 3.49Å; D594-R597 PolarHBondContact OD1-N 3.04Å; D594-R598 WeakPolarHBondContact O-CB 3.04Å; D594-R598 PolarHBondContact O-N 2.95Å
595E87.6Confident92.5Very high94 Ų9435.2 Ų35.244%0.43920%0.198SC..Hα-helixtrans-60.3-34.5-177.9-61.1-175.4166.400112.6F499 I593 R599F499-E595 HydrophobicContact CD2-CB 3.98Å; F499-E595 HydrophobicContact CD2-CG 3.67Å; F499-E595 HydrophobicContact CE2-CB 3.96Å; F499-E595 HydrophobicContact CE2-CG 4.18Å; I593-E595 VanDerWaalsContact C-N 3.32Å; I593-E595 HydrophobicContact CG1-CG 4.18Å; I593-E595 PolarHBondContact O-N 3.19Å; E595-R599 WeakPolarHBondContact O-CB 3.47Å; E595-R599 PolarHBondContact O-N 3.41Å
596T84.1Confident92.6Very high108 Ų10832.9 Ų32.966%0.66318%0.184SC*.Hα-helixtrans-67.7-43.8-179.9-62.50000110.3D594 S600D594-T596 VanDerWaalsContact C-N 3.26Å; D594-T596 PolarHBondContact O-N 3.22Å; D594-T596 PolarHBondContact OD1-N 3.27Å; D594-T596 VanDerWaalsContact OD1-N 3.08Å; T596-S600 PolarHBondContact O-N 2.99Å; T596-S600 PolarHBondContact O-OG 3.33Å
597R88.8Confident92.7Very high22 Ų2230.7 Ų30.78%0.08316%0.161CC..Hα-helixtrans-64.8-51.3175.3-171.5-171.6178.1-72.216.9110.9Y543 E545 D594 R599 S600 V601 P631Y543-R597 PolarHBondContact O-NH1 2.69Å; Y543-R597 PolarHBondContact O-NH2 2.95Å; E545-R597 IonicContact OE1-CZ 3.85Å; E545-R597 VanDerWaalsContact OE1-CZ 3.31Å; E545-R597 IonicContact OE1-NE 2.88Å; E545-R597 PolarHBondContact OE1-NE 3.02Å; E545-R597 IonicContact OE1-NH2 2.68Å; E545-R597 PolarHBondContact OE1-NH2 2.88Å; E545-R597 IonicContact OE2-NE 3.67Å; D594-R597 HydrophobicContact CB-CB 3.87Å; D594-R597 PolarHBondContact O-N 3.49Å; D594-R597 PolarHBondContact OD1-N 3.04Å; R597-R599 VanDerWaalsContact C-N 3.29Å; R597-R599 PolarHBondContact O-N 3.24Å; R597-S600 PolarHBondContact O-N 3.24Å; R597-S600 VanDerWaalsContact O-N 3.12Å; R597-V601 WeakPolarHBondContact O-CG2 3.29Å; R597-V601 PolarHBondContact O-N 3.3Å; R597-P631 HydrophobicContact CG-CB 4.08Å; R597-P631 HydrophobicContact CG-CG 3.46Å; R597-P631 VanDerWaalsContact CG-CG 3.46Å
598R93.1Very high92.8Very high2 Ų229.4 Ų29.41%0.00815%0.154CC..Hα-helixtrans-53.2-47.1176.7169.564.176.871.94.7111.4F499 C533 D544 I593 D594 S600 V601 M602F499-R598 HydrophobicContact CD1-CG 4.34Å; F499-R598 HydrophobicContact CE1-CG 3.59Å; F499-R598 HydrophobicContact CE2-CG 4.48Å; F499-R598 HydrophobicContact CZ-CB 4.47Å; F499-R598 HydrophobicContact CZ-CG 3.67Å; C533-R598 PolarHBondContact O-NH2 3.41Å; D544-R598 IonicContact OD1-CZ 2.96Å; D544-R598 IonicContact OD1-NE 3.95Å; D544-R598 PolarHBondContact OD1-NE 3.43Å; D544-R598 IonicContact OD1-NH2 3.09Å; D544-R598 IonicContact OD2-CZ 3.91Å; D544-R598 IonicContact OD2-NE 2.65Å; D544-R598 PolarHBondContact OD2-NE 3.24Å; D544-R598 IonicContact OD2-NH2 3.94Å; D544-R598 PolarHBondContact OD2-NH2 3.39Å; I593-R598 HydrophobicContact CD1-CB 4.13Å; I593-R598 HydrophobicContact CD1-CG 3.95Å; I593-R598 VanDerWaalsContact CD1-CZ 3.49Å; D594-R598 WeakPolarHBondContact O-CB 3.04Å; D594-R598 PolarHBondContact O-N 2.95Å; R598-S600 VanDerWaalsContact C-N 3.29Å; R598-S600 PolarHBondContact O-N 3.35Å; R598-V601 PolarHBondContact O-N 2.87Å; R598-M602 HydrophobicContact CG-CG 4.4Å; R598-M602 HydrophobicContact CG-SD 3.69Å; R598-M602 VanDerWaalsContact O-CG 3.3Å; R598-M602 WeakPolarHBondContact O-CG 3.25Å; R598-M602 PolarHBondContact O-N 3.14Å
599R92.8Very high92.9Very high50 Ų5025 Ų2519%0.18913%0.133CC..Hα-helixtrans-61.5-37.5-179.5-179.461.5-176.874.75.6112.8G495 Y497 E595 R597 S603 L728 H733G495-R599 PolarHBondContact O-NE 3.44Å; G495-R599 PolarHBondContact O-NH2 3.24Å; Y497-R599 VanDerWaalsContact CD2-CD 3.5Å; E595-R599 WeakPolarHBondContact O-CB 3.47Å; E595-R599 PolarHBondContact O-N 3.41Å; R597-R599 VanDerWaalsContact C-N 3.29Å; R597-R599 PolarHBondContact O-N 3.24Å; R599-S603 PolarHBondContact NH1-OG 3.27Å; R599-S603 PolarHBondContact O-N 3.45Å; R599-S603 VanDerWaalsContact O-N 3.08Å; R599-L728 VanDerWaalsContact CZ-CD2 3.5Å; R599-H733 PolarHBondContact NH1-O 3.24Å; R599-H733 PolarHBondContact NH2-O 2.68Å
600S90.1Very high93.1Very high42 Ų4224.9 Ų24.929%0.29413%0.133SC..Hα-helixtrans-72-40.2177.1-55.70000111.6T596 R597 R598 S603 N604 P631T596-S600 PolarHBondContact O-N 2.99Å; T596-S600 PolarHBondContact O-OG 3.33Å; R597-S600 PolarHBondContact O-N 3.24Å; R597-S600 VanDerWaalsContact O-N 3.12Å; R598-S600 VanDerWaalsContact C-N 3.29Å; R598-S600 PolarHBondContact O-N 3.35Å; S600-S603 WeakPolarHBondContact O-CB 3.26Å; S600-S603 PolarHBondContact O-N 3.4Å; S600-N604 PolarHBondContact O-N 3.36Å; S600-P631 WeakPolarHBondContact CB-O 3.37Å
601V95.5Very high93.3Very high0 Ų022 Ų220%012%0.119CC..Hα-helixtrans-61.3-47.1172.5173.20000110.9Q541 R597 R598 S603 N604 H605 V629 P631Q541-V601 HydrophobicContact CG-CG1 3.54Å; R597-V601 WeakPolarHBondContact O-CG2 3.29Å; R597-V601 PolarHBondContact O-N 3.3Å; R598-V601 PolarHBondContact O-N 2.87Å; V601-S603 VanDerWaalsContact C-N 3.33Å; V601-S603 PolarHBondContact O-N 2.97Å; V601-N604 CarbonylContact O-C 3.53Å; V601-N604 PolarHBondContact O-N 3.44Å; V601-H605 WeakPolarHBondContact O-CB 3.3Å; V601-H605 PolarHBondContact O-N 3.37Å; V601-V629 HydrophobicContact CG1-CG1 4.05Å; V601-V629 WeakPolarHBondContact O-CG1 3.29Å; V601-P631 HydrophobicContact CG2-CB 4.23Å; V601-P631 HydrophobicContact CG2-CG 3.69Å
602M97.3Very high93.5Very high0 Ų022.3 Ų22.30%012%0.121CC..Hα-helixtrans-60.9-39176.7-69.5163.971.100112.5Y489 Y497 F499 R598 H605 T606 T726 H727 L728Y489-M602 HydrophobicContact CD2-CE 3.85Å; Y489-M602 HydrophobicContact CE1-CE 4.15Å; Y489-M602 HydrophobicContact CE2-CE 3.34Å; Y489-M602 HydrophobicContact CG-CE 4.45Å; Y497-M602 HydrophobicContact CD1-CE 3.88Å; Y497-M602 HydrophobicContact CE1-CE 3.69Å; F499-M602 HydrophobicContact CE1-CE 4.22Å; F499-M602 HydrophobicContact CE1-SD 3.63Å; F499-M602 HydrophobicContact CZ-SD 3.78Å; R598-M602 HydrophobicContact CG-CG 4.4Å; R598-M602 HydrophobicContact CG-SD 3.69Å; R598-M602 VanDerWaalsContact O-CG 3.3Å; R598-M602 WeakPolarHBondContact O-CG 3.25Å; R598-M602 PolarHBondContact O-N 3.14Å; M602-H605 PolarHBondContact O-N 3.31Å; M602-T606 WeakPolarHBondContact O-CB 3.33Å; M602-T606 PolarHBondContact O-N 3.47Å; M602-T606 PolarHBondContact O-OG1 3.26Å; M602-T726 WeakPolarHBondContact CG-OG1 3.44Å; M602-H727 WeakPolarHBondContact CE-O 3.28Å; M602-L728 HydrophobicContact CB-CD2 3.91Å; M602-L728 HydrophobicContact CB-CG 4.37Å
603S96.8Very high94Very high8 Ų822.5 Ų22.56%0.05612%0.118CC..Hα-helixtrans-58-52.5172.3-85.10000111.2R599 S600 V601 H605 T606 A607 S756R599-S603 PolarHBondContact NH1-OG 3.27Å; R599-S603 PolarHBondContact O-N 3.45Å; R599-S603 VanDerWaalsContact O-N 3.08Å; S600-S603 WeakPolarHBondContact O-CB 3.26Å; S600-S603 PolarHBondContact O-N 3.4Å; V601-S603 VanDerWaalsContact C-N 3.33Å; V601-S603 PolarHBondContact O-N 2.97Å; S603-H605 VanDerWaalsContact C-N 3.32Å; S603-H605 PolarHBondContact O-N 3.47Å; S603-T606 PolarHBondContact O-N 3.03Å; S603-A607 VanDerWaalsContact O-CB 3.25Å; S603-A607 WeakPolarHBondContact O-CB 3.41Å; S603-A607 PolarHBondContact O-N 3.41Å; S603-S756 WeakPolarHBondContact CB-OG 3.15Å
604N97.6Very high94.2Very high2 Ų221.9 Ų21.91%0.01111%0.114CC..Hα-helixtrans-65.6-35.9-179.6-75.5-24.5000111.4S600 V601 A607 T608 V629 A630 P631 K633 L634 S756S600-N604 PolarHBondContact O-N 3.36Å; V601-N604 CarbonylContact O-C 3.53Å; V601-N604 PolarHBondContact O-N 3.44Å; N604-A607 PolarHBondContact O-N 2.81Å; N604-T608 PolarHBondContact O-N 3.27Å; N604-T608 PolarHBondContact O-OG1 3.09Å; N604-V629 HydrophobicContact CB-CG1 3.74Å; N604-A630 PolarHBondContact ND2-O 3.35Å; N604-P631 PolarHBondContact ND2-O 2.9Å; N604-K633 PolarHBondContact ND2-N 3.19Å; N604-L634 HydrophobicContact CB-CB 4.23Å; N604-L634 HydrophobicContact CB-CD2 4.14Å; N604-L634 WeakPolarHBondContact O-CD2 3.45Å; N604-S756 WeakPolarHBondContact OD1-CB 3.21Å; N604-S756 PolarHBondContact OD1-N 2.77Å; N604-S756 PolarHBondContact OD1-OG 3.48Å
605H97.8Very high94.7Very high6 Ų618.7 Ų18.73%0.02810%0.098CC..Hα-helixtrans-65.9-48.6177.9-154.2157.2000111.6Q541 V601 M602 S603 A607 T608 H609 V629 C723 G725 H727Q541-H605 PolarHBondContact OE1-CE1 2.93Å; Q541-H605 PolarHBondContact OE1-ND1 3.19Å; V601-H605 WeakPolarHBondContact O-CB 3.3Å; V601-H605 PolarHBondContact O-N 3.37Å; M602-H605 PolarHBondContact O-N 3.31Å; S603-H605 VanDerWaalsContact C-N 3.32Å; S603-H605 PolarHBondContact O-N 3.47Å; H605-A607 VanDerWaalsContact C-N 3.27Å; H605-A607 PolarHBondContact O-N 2.85Å; H605-T608 WeakPolarHBondContact O-CB 3.48Å; H605-T608 PolarHBondContact O-N 3.2Å; H605-T608 VanDerWaalsContact O-N 3.09Å; H605-H609 AromaticContact CD2-NE2 3.63Å; H605-H609 AromaticContact NE2-NE2 3.73Å; H605-H609 PolarHBondContact O-CD2 3.47Å; H605-H609 PolarHBondContact O-N 3.37Å; H605-V629 HydrophobicContact CB-CG1 3.86Å; H605-V629 HydrophobicContact CB-CG2 4.47Å; H605-V629 VanDerWaalsContact N-CG1 3.34Å; H605-C723 VanDerWaalsContact CE1-SG 3.59Å; H605-C723 PolarHBondContact NE2-SG 2.89Å; H605-C723 VanDerWaalsContact NE2-SG 3.36Å; H605-G725 VanDerWaalsContact CE1-CA 3.46Å; H605-G725 WeakPolarHBondContact CE1-CA 3.29Å; H605-H727 AromaticContact CD2-CE1 3.46Å; H605-H727 PolarHBondContact CD2-CE1 2.94Å; H605-H727 VanDerWaalsContact CD2-CE1 3.46Å; H605-H727 AromaticContact CE1-CE1 3.89Å; H605-H727 AromaticContact CG-CE1 3.51Å; H605-H727 AromaticContact CG-ND1 3.98Å; H605-H727 AromaticContact ND1-CE1 3.75Å; H605-H727 AromaticContact NE2-CE1 3.72Å
606T97.8Very high94.8Very high0 Ų018.6 Ų18.60%09%0.093CC..Hα-helixtrans-61.5-40.2176.6-49.30000110.5M602 S603 T608 H609 I610 V666 I699 L728M602-T606 WeakPolarHBondContact O-CB 3.33Å; M602-T606 PolarHBondContact O-N 3.47Å; M602-T606 PolarHBondContact O-OG1 3.26Å; S603-T606 PolarHBondContact O-N 3.03Å; T606-T608 VanDerWaalsContact C-N 3.32Å; T606-T608 PolarHBondContact O-N 3.47Å; T606-H609 PolarHBondContact O-N 3.24Å; T606-I610 HydrophobicContact CG2-CD1 4.38Å; T606-I610 WeakPolarHBondContact O-CG1 3.25Å; T606-I610 PolarHBondContact O-N 3.36Å; T606-I610 VanDerWaalsContact O-N 3.16Å; T606-V666 HydrophobicContact CG2-CG2 4.03Å; T606-I699 HydrophobicContact CG2-CD1 4.06Å; T606-L728 HydrophobicContact CG2-CB 4.3Å; T606-L728 HydrophobicContact CG2-CD1 4.4Å; T606-L728 WeakPolarHBondContact OG1-CG 3.34Å; T606-L728 PolarHBondContact OG1-N 3.34Å
607A97.8Very high95.2Very high1 Ų116.4 Ų16.41%0.0088%0.082CC..Hα-helixtrans-65.4-30.817500000113.3S603 N604 H605 I610 L611 L634 F737S603-A607 VanDerWaalsContact O-CB 3.25Å; S603-A607 WeakPolarHBondContact O-CB 3.41Å; S603-A607 PolarHBondContact O-N 3.41Å; N604-A607 PolarHBondContact O-N 2.81Å; H605-A607 VanDerWaalsContact C-N 3.27Å; H605-A607 PolarHBondContact O-N 2.85Å; A607-I610 PolarHBondContact O-N 3.1Å; A607-L611 VanDerWaalsContact O-CB 3.27Å; A607-L611 WeakPolarHBondContact O-CB 3.42Å; A607-L611 PolarHBondContact O-N 2.88Å; A607-L634 HydrophobicContact CB-CD2 3.83Å; A607-F737 HydrophobicContact CB-CD2 3.88Å; A607-F737 HydrophobicContact CB-CE2 4.16Å
608T97.3Very high95.5Very high3 Ų316.6 Ų16.62%0.0189%0.086CC..Hα-helixtrans-61.3-45.3173.4-63.90000111.3N604 H605 T606 L611 N612 F636N604-T608 PolarHBondContact O-N 3.27Å; N604-T608 PolarHBondContact O-OG1 3.09Å; H605-T608 WeakPolarHBondContact O-CB 3.48Å; H605-T608 PolarHBondContact O-N 3.2Å; H605-T608 VanDerWaalsContact O-N 3.09Å; T606-T608 VanDerWaalsContact C-N 3.32Å; T606-T608 PolarHBondContact O-N 3.47Å; T608-L611 WeakPolarHBondContact O-CB 3.2Å; T608-L611 PolarHBondContact O-N 3.24Å; T608-N612 WeakPolarHBondContact O-CB 3.46Å; T608-N612 PolarHBondContact O-N 3.45Å; T608-F636 HydrophobicContact CG2-CD2 3.59Å; T608-F636 HydrophobicContact CG2-CE2 3.91Å
609H96.4Very high95.4Very high8 Ų819 Ų194%0.03710%0.098CC..Hα-helixtrans-64.2-43.3176.3-66.9-58.6000112H605 T606 L611 N612 F613 I699 S719 E721 H727H605-H609 AromaticContact CD2-NE2 3.63Å; H605-H609 AromaticContact NE2-NE2 3.73Å; H605-H609 PolarHBondContact O-CD2 3.47Å; H605-H609 PolarHBondContact O-N 3.37Å; T606-H609 PolarHBondContact O-N 3.24Å; H609-L611 VanDerWaalsContact C-N 3.31Å; H609-L611 PolarHBondContact O-N 2.93Å; H609-N612 PolarHBondContact O-N 2.87Å; H609-F613 PolarHBondContact O-N 3.25Å; H609-I699 HydrophobicContact CB-CD1 4.09Å; H609-S719 PolarHBondContact O-OG 2.85Å; H609-E721 IonicContact CE1-OE2 2.56Å; H609-E721 PolarHBondContact CE1-OE2 2.97Å; H609-E721 VanDerWaalsContact CE1-OE2 3.27Å; H609-E721 IonicContact ND1-OE1 3.88Å; H609-E721 PolarHBondContact ND1-OE1 2.9Å; H609-E721 IonicContact ND1-OE2 2.91Å; H609-E721 PolarHBondContact ND1-OE2 3.12Å; H609-H727 AromaticContact CD2-CE1 3.32Å; H609-H727 PolarHBondContact CD2-CE1 3.31Å; H609-H727 AromaticContact CD2-ND1 3.71Å; H609-H727 AromaticContact NE2-CE1 3Å; H609-H727 PolarHBondContact NE2-CE1 2.71Å; H609-H727 AromaticContact NE2-ND1 3.86Å; H609-H727 AromaticContact NE2-NE2 3.69Å
610I97.3Very high95Very high0 Ų018.7 Ų18.70%011%0.111CC..Hα-helixtrans-60-42.7174.7-65.5173000111T606 A607 F613 A614 A656 I659 I660 I699T606-I610 HydrophobicContact CG2-CD1 4.38Å; T606-I610 WeakPolarHBondContact O-CG1 3.25Å; T606-I610 PolarHBondContact O-N 3.36Å; T606-I610 VanDerWaalsContact O-N 3.16Å; A607-I610 PolarHBondContact O-N 3.1Å; I610-F613 PolarHBondContact O-N 3.14Å; I610-A614 WeakPolarHBondContact O-CB 3.34Å; I610-A614 PolarHBondContact O-N 2.92Å; I610-A656 VanDerWaalsContact CG2-CA 3.48Å; I610-A656 HydrophobicContact CG2-CB 3.75Å; I610-I659 HydrophobicContact CD1-CG2 3.96Å; I610-I659 HydrophobicContact CG1-CG2 3.95Å; I610-I659 HydrophobicContact CG2-CB 4.03Å; I610-I659 HydrophobicContact CG2-CD1 4.13Å; I610-I659 HydrophobicContact CG2-CG2 4.15Å; I610-I660 HydrophobicContact CD1-CG1 3.78Å; I610-I699 HydrophobicContact CD1-CD1 4.21Å; I610-I699 HydrophobicContact CG1-CD1 3.55Å
611L97.4Very high94.5Very high0 Ų023.3 Ų23.30%013%0.128CC..Hα-helixtrans-63.4-44.4176.7173.162.6000111.6A607 T608 H609 F613 A614 L615 L634 F636 V652 F737 I739 I752A607-L611 VanDerWaalsContact O-CB 3.27Å; A607-L611 WeakPolarHBondContact O-CB 3.42Å; A607-L611 PolarHBondContact O-N 2.88Å; T608-L611 WeakPolarHBondContact O-CB 3.2Å; T608-L611 PolarHBondContact O-N 3.24Å; H609-L611 VanDerWaalsContact C-N 3.31Å; H609-L611 PolarHBondContact O-N 2.93Å; L611-F613 VanDerWaalsContact C-N 3.34Å; L611-F613 PolarHBondContact O-N 2.89Å; L611-A614 PolarHBondContact O-N 3.02Å; L611-L615 HydrophobicContact CD1-CD1 3.99Å; L611-L615 HydrophobicContact CD1-CG 4Å; L611-L615 HydrophobicContact CG-CD1 3.93Å; L611-L615 HydrophobicContact CG-CG 4.4Å; L611-L615 WeakPolarHBondContact O-CB 3.21Å; L611-L615 WeakPolarHBondContact O-CG 3.26Å; L611-L615 PolarHBondContact O-N 3.44Å; L611-L634 HydrophobicContact CD2-CD1 3.8Å; L611-F636 HydrophobicContact CD2-CB 3.82Å; L611-F636 HydrophobicContact CD2-CD1 4.41Å; L611-F636 HydrophobicContact CD2-CG 4.22Å; L611-V652 HydrophobicContact CD1-CG1 3.6Å; L611-F737 HydrophobicContact CB-CZ 4.17Å; L611-F737 HydrophobicContact CD1-CE1 4.41Å; L611-F737 HydrophobicContact CD1-CZ 4.04Å; L611-F737 HydrophobicContact CD2-CZ 4.24Å; L611-F737 HydrophobicContact CG-CZ 4.37Å; L611-I739 HydrophobicContact CD1-CD1 4.23Å; L611-I752 HydrophobicContact CD1-CD1 4.34Å; L611-I752 HydrophobicContact CD2-CB 4.39Å; L611-I752 HydrophobicContact CD2-CG2 3.72Å
612N95.4Very high94.1Very high9 Ų923.5 Ų23.55%0.04813%0.129CC..Hα-helixtrans-58.5-47.5178-170.519.2000111.1T608 H609 A614 L615 R616 F636 E721T608-N612 WeakPolarHBondContact O-CB 3.46Å; T608-N612 PolarHBondContact O-N 3.45Å; H609-N612 PolarHBondContact O-N 2.87Å; N612-A614 PolarHBondContact O-N 3.38Å; N612-L615 PolarHBondContact O-N 3.14Å; N612-R616 PolarHBondContact O-N 3.04Å; N612-R616 VanDerWaalsContact O-N 3.13Å; N612-F636 HydrophobicContact CB-CE1 4.35Å; N612-F636 HydrophobicContact CB-CE2 4.23Å; N612-F636 HydrophobicContact CB-CZ 3.73Å; N612-F636 WeakPolarHBondContact OD1-CZ 3.39Å; N612-E721 PolarHBondContact ND2-OE1 3.4Å
613F95.3Very high93.5Very high38 Ų3825.7 Ų25.717%0.16714%0.141CC..Hα-helixtrans-60.3-44173.9178.6-94.6000112.7H609 I610 L611 R616 S617 I659 I717 T718H609-F613 PolarHBondContact O-N 3.25Å; I610-F613 PolarHBondContact O-N 3.14Å; L611-F613 VanDerWaalsContact C-N 3.34Å; L611-F613 PolarHBondContact O-N 2.89Å; F613-R616 PolarHBondContact O-N 3.16Å; F613-S617 WeakPolarHBondContact O-CB 3.37Å; F613-S617 PolarHBondContact O-N 2.84Å; F613-S617 PolarHBondContact O-OG 2.93Å; F613-I659 HydrophobicContact CD1-CD1 3.52Å; F613-I659 HydrophobicContact CE1-CD1 3.82Å; F613-I717 WeakPolarHBondContact CZ-O 3.49Å; F613-T718 WeakPolarHBondContact CD2-O 3.42Å
614A96.4Very high93Very high0 Ų027.2 Ų27.20%015%0.147CC..Hα-helixtrans-64.3-42.517900000112.5I610 L611 N612 S617 V618 V652 I655 A656I610-A614 WeakPolarHBondContact O-CB 3.34Å; I610-A614 PolarHBondContact O-N 2.92Å; L611-A614 PolarHBondContact O-N 3.02Å; N612-A614 PolarHBondContact O-N 3.38Å; A614-S617 WeakPolarHBondContact O-CB 3.3Å; A614-S617 PolarHBondContact O-N 2.85Å; A614-V618 WeakPolarHBondContact O-CG2 2.98Å; A614-V618 PolarHBondContact O-N 2.88Å; A614-V652 HydrophobicContact CB-CG1 3.92Å; A614-I655 HydrophobicContact CB-CB 3.97Å; A614-I655 HydrophobicContact CB-CG2 3.78Å; A614-A656 HydrophobicContact CB-CB 4.39Å
615L95.8Very high92.4Very high0 Ų032.1 Ų32.10%017%0.166CC..Hα-helixtrans-60.4-48177.1-79.8166.6000111.4L611 N612 S617 V618 L619 A622 F636 F638 L644 V652 I752L611-L615 HydrophobicContact CD1-CD1 3.99Å; L611-L615 HydrophobicContact CD1-CG 4Å; L611-L615 HydrophobicContact CG-CD1 3.93Å; L611-L615 HydrophobicContact CG-CG 4.4Å; L611-L615 WeakPolarHBondContact O-CB 3.21Å; L611-L615 WeakPolarHBondContact O-CG 3.26Å; L611-L615 PolarHBondContact O-N 3.44Å; N612-L615 PolarHBondContact O-N 3.14Å; L615-S617 VanDerWaalsContact C-N 3.3Å; L615-S617 PolarHBondContact O-N 2.9Å; L615-V618 PolarHBondContact O-N 2.88Å; L615-V618 VanDerWaalsContact O-N 3.11Å; L615-L619 HydrophobicContact CD2-CD1 4.11Å; L615-L619 WeakPolarHBondContact O-CB 3.28Å; L615-L619 PolarHBondContact O-N 3.18Å; L615-A622 HydrophobicContact CB-CB 4.02Å; L615-F636 HydrophobicContact CD1-CD1 3.64Å; L615-F636 HydrophobicContact CD1-CE1 3.73Å; L615-F638 HydrophobicContact CD1-CD1 4Å; L615-F638 HydrophobicContact CD1-CD2 4.35Å; L615-F638 HydrophobicContact CD1-CE1 4.18Å; L615-F638 HydrophobicContact CD1-CE2 4.49Å; L615-F638 HydrophobicContact CD1-CG 4.1Å; L615-F638 HydrophobicContact CD1-CZ 4.41Å; L615-F638 HydrophobicContact CD2-CD2 4.49Å; L615-F638 HydrophobicContact CD2-CE1 4.37Å; L615-F638 HydrophobicContact CD2-CE2 3.94Å; L615-F638 HydrophobicContact CD2-CZ 3.88Å; L615-L644 HydrophobicContact CD2-CD2 4.1Å; L615-V652 HydrophobicContact CD2-CG1 3.98Å; L615-V652 HydrophobicContact CD2-CG2 3.97Å; L615-V652 HydrophobicContact CG-CG1 4Å; L615-I752 HydrophobicContact CD1-CD1 4.11Å; L615-I752 HydrophobicContact CD2-CD1 3.68Å; L615-I752 HydrophobicContact CG-CD1 4.33Å
616R91.2Very high91.7Very high92 Ų9232.7 Ų32.735%0.34717%0.173SC..Hα-helixtrans-61.1-40.6177.2-168.4-169170.5109-6.4112N612 F613 V618 G620 R683N612-R616 PolarHBondContact O-N 3.04Å; N612-R616 VanDerWaalsContact O-N 3.13Å; F613-R616 PolarHBondContact O-N 3.16Å; R616-V618 PolarHBondContact O-N 3.12Å; R616-G620 WeakPolarHBondContact CG-O 3.5Å; R616-G620 VanDerWaalsContact O-CA 3.29Å; R616-G620 WeakPolarHBondContact O-CA 3.41Å; R616-G620 PolarHBondContact O-N 3.49Å; R616-R683 VanDerWaalsContact NH1-NE 3.17Å; R616-R683 VanDerWaalsContact NH1-NH2 3.19Å
617S91.8Very high91.3Very high61 Ų6133.6 Ų33.643%0.42718%0.179SC..Hα-helixtrans-63.3-23.8178.1-61.20000113.2F613 A614 L615F613-S617 WeakPolarHBondContact O-CB 3.37Å; F613-S617 PolarHBondContact O-N 2.84Å; F613-S617 PolarHBondContact O-OG 2.93Å; A614-S617 WeakPolarHBondContact O-CB 3.3Å; A614-S617 PolarHBondContact O-N 2.85Å; L615-S617 VanDerWaalsContact C-N 3.3Å; L615-S617 PolarHBondContact O-N 2.9Å
618V94.9Very high90.9Very high27 Ų2735.7 Ų35.716%0.16419%0.19CC..Hα-helixtrans-96.2-42.7178.7177.10000112.3A614 L615 R616 E648 K651 V652 I655A614-V618 WeakPolarHBondContact O-CG2 2.98Å; A614-V618 PolarHBondContact O-N 2.88Å; L615-V618 PolarHBondContact O-N 2.88Å; L615-V618 VanDerWaalsContact O-N 3.11Å; R616-V618 PolarHBondContact O-N 3.12Å; V618-E648 HydrophobicContact CG1-CB 4.06Å; V618-E648 HydrophobicContact CG1-CG 4Å; V618-K651 HydrophobicContact CG1-CD 4.33Å; V618-K651 HydrophobicContact CG2-CB 4.17Å; V618-K651 HydrophobicContact CG2-CD 3.8Å; V618-K651 HydrophobicContact CG2-CG 3.76Å; V618-V652 HydrophobicContact CB-CG2 3.81Å; V618-V652 HydrophobicContact CG1-CG2 4.15Å; V618-V652 HydrophobicContact CG2-CG2 3.63Å; V618-I655 HydrophobicContact CG2-CD1 3.75Å
619L91.9Very high90.9Very high51 Ų5135.6 Ų35.627%0.26719%0.19SC..Hα-helixtrans-100.2-15.7-170.3-57.6177.4000114L615 E621 A622 F638 A640 L644L615-L619 HydrophobicContact CD2-CD1 4.11Å; L615-L619 WeakPolarHBondContact O-CB 3.28Å; L615-L619 PolarHBondContact O-N 3.18Å; L619-E621 VanDerWaalsContact C-N 3.27Å; L619-E621 PolarHBondContact O-N 3.46Å; L619-E621 VanDerWaalsContact O-N 3.08Å; L619-A622 HydrophobicContact CD1-CB 4.45Å; L619-F638 HydrophobicContact CD1-CD2 4.33Å; L619-F638 HydrophobicContact CD1-CE2 3.67Å; L619-A640 HydrophobicContact CD1-CB 4.33Å; L619-L644 HydrophobicContact CD1-CD1 4.13Å; L619-L644 HydrophobicContact CD1-CD2 4.38Å; L619-L644 HydrophobicContact CD1-CG 4.38Å; L619-L644 HydrophobicContact CD2-CG 4.32Å
620G84.4Confident90.5Very high44 Ų4435.6 Ų35.645%0.45419%0.191SC..SBendtrans81.3-65.3-172.900000112.4R616R616-G620 WeakPolarHBondContact CG-O 3.5Å; R616-G620 VanDerWaalsContact O-CA 3.29Å; R616-G620 WeakPolarHBondContact O-CA 3.41Å; R616-G620 PolarHBondContact O-N 3.49Å
621E79.2Confident89.8Confident139 Ų13937.3 Ų37.365%0.6520%0.203SC*.  trans-110.7118.5176.2-69.9-172.4162.500110.8L619L619-E621 VanDerWaalsContact C-N 3.27Å; L619-E621 PolarHBondContact O-N 3.46Å; L619-E621 VanDerWaalsContact O-N 3.08Å
622A85.7Confident89.2Confident4 Ų441.4 Ų41.43%0.03322%0.224CC..  trans-151.370.2-179.500000109.3L615 L619 F638 T639L615-A622 HydrophobicContact CB-CB 4.02Å; L619-A622 HydrophobicContact CD1-CB 4.45Å; A622-F638 HydrophobicContact CB-CD2 4.11Å; A622-T639 WeakPolarHBondContact CA-O 3.5Å
623D85.3Confident89Confident46 Ų4645 Ų4525%0.24624%0.239CC..  trans-76.6135.8-178.7-68-28.3000110.7F638 T639D623-F638 CarbonylContact O-C 3.56Å; D623-F638 WeakPolarHBondContact O-CA 3.44Å; D623-T639 HydrophobicContact CB-CG2 4.3Å; D623-T639 PolarHBondContact N-OG1 2.8Å; D623-T639 PolarHBondContact O-N 2.95Å
624Q86.4Confident89.1Confident41 Ų4143.2 Ų43.219%0.19223%0.232CC..EExtended strand (participates in β ladder)trans-63.4133.4176.4-178.7177.5-36.300111.1F636Q624-F636 HydrophobicContact CB-CE2 4.12Å; Q624-F636 HydrophobicContact CB-CZ 3.85Å; Q624-F636 HydrophobicContact CG-CE2 3.78Å; Q624-F636 HydrophobicContact CG-CZ 4.02Å
625R85.1Confident89Confident104 Ų10446.8 Ų46.839%0.39225%0.245SC..EExtended strand (participates in β ladder)trans-119.5-11.8174.4-65.3-61.6178.5-175.5-4.4113.6D637 T639 D687 I749R625-D637 HydrophobicContact CB-CB 4.46Å; R625-D637 PolarHBondContact N-O 2.87Å; R625-T639 HydrophobicContact CG-CG2 3.8Å; R625-T639 VanDerWaalsContact NE-CG2 3.31Å; R625-D687 IonicContact NH1-OD2 2.91Å; R625-I749 HydrophobicContact CB-CG2 4.31Å; R625-I749 HydrophobicContact CG-CD1 4.42Å
626G82.7Confident89Confident18 Ų1846.8 Ų46.819%0.18625%0.245CC..EExtended strand (participates in β ladder)trans-177.4150178.300000111D637G626-D637 PolarHBondContact N-O 3.42Å; G626-D637 PolarHBondContact O-N 2.92Å
627S89.4Confident89.1Confident19 Ų1943 Ų4313%0.13323%0.232CC..EExtended strand (participates in β ladder)trans-140.9148.9177.3-174.20000109.9R635S627-R635 CarbonylContact C-O 3.01Å; S627-R635 WeakPolarHBondContact CA-O 3.47Å
628L90.8Very high89.1Confident46 Ų4640.1 Ų40.124%0.24121%0.211CC..EExtended strand (participates in β ladder)trans-141.8125.7163.6167.776.3000107.1G540 I542 L634 R635G540-L628 CarbonylContact O-C 3.32Å; G540-L628 VanDerWaalsContact O-CA 3.31Å; G540-L628 WeakPolarHBondContact O-CA 3.45Å; I542-L628 HydrophobicContact CG2-CD1 3.59Å; L628-L634 CarbonylContact O-C 3.52Å; L628-L634 VanDerWaalsContact O-CA 3.28Å; L628-L634 WeakPolarHBondContact O-CA 3.12Å; L628-R635 HydrophobicContact CB-CB 4.11Å; L628-R635 PolarHBondContact N-O 3.05Å; L628-R635 PolarHBondContact O-N 3.5Å
629V95.3Very high88.8Confident0 Ų040.2 Ų40.20%021%0.212CC..EExtended strand (participates in β ladder)trans-117.3107.8174.8-176.10000107.9G540 Q541 I542 V601 N604 H605G540-V629 PolarHBondContact O-N 3.22Å; Q541-V629 HydrophobicContact CB-CB 4.38Å; I542-V629 PolarHBondContact N-O 3.39Å; V601-V629 HydrophobicContact CG1-CG1 4.05Å; V601-V629 WeakPolarHBondContact O-CG1 3.29Å; N604-V629 HydrophobicContact CB-CG1 3.74Å; H605-V629 HydrophobicContact CB-CG1 3.86Å; H605-V629 HydrophobicContact CB-CG2 4.47Å; H605-V629 VanDerWaalsContact N-CG1 3.34Å
630A89.1Confident88.6Confident9 Ų938.4 Ų38.47%0.07421%0.205CC..  trans-116.8167.9177.700000110.3I542 N604 D632 K633I542-A630 HydrophobicContact CD1-CB 4.09Å; N604-A630 PolarHBondContact ND2-O 3.35Å; A630-D632 VanDerWaalsContact C-N 3.32Å; A630-D632 WeakPolarHBondContact CB-OD1 3.28Å; A630-D632 PolarHBondContact O-N 3.04Å; A630-K633 CarbonylContact C-O 3.41Å; A630-K633 WeakPolarHBondContact CA-O 3.25Å; A630-K633 PolarHBondContact N-O 3.44Å
631P83.4Confident88.6Confident36 Ų3646.8 Ų46.823%0.23423%0.229CC..SBendtrans-63.8-35.9179.9-21.128.6000113.2I542 R597 S600 V601 N604I542-P631 VanDerWaalsContact CD1-CD 3.47Å; I542-P631 HydrophobicContact CD1-CG 4.32Å; R597-P631 HydrophobicContact CG-CB 4.08Å; R597-P631 HydrophobicContact CG-CG 3.46Å; R597-P631 VanDerWaalsContact CG-CG 3.46Å; S600-P631 WeakPolarHBondContact CB-O 3.37Å; V601-P631 HydrophobicContact CG2-CB 4.23Å; V601-P631 HydrophobicContact CG2-CG 3.69Å; N604-P631 PolarHBondContact ND2-O 2.9Å
632D84.6Confident88.9Confident85 Ų8542 Ų4246%0.45522%0.217SC..SBendtrans-90.8-20.8-173.965.2-43.5000113.5A630A630-D632 VanDerWaalsContact C-N 3.32Å; A630-D632 WeakPolarHBondContact CB-OD1 3.28Å; A630-D632 PolarHBondContact O-N 3.04Å
633K90.9Very high89.2Confident85 Ų8545.8 Ų45.837%0.3725%0.248SC..  trans-163.1165.4-176.666.7-166.1174.5-164.10112.9N604 A630 V753 A754 V755N604-K633 PolarHBondContact ND2-N 3.19Å; A630-K633 CarbonylContact C-O 3.41Å; A630-K633 WeakPolarHBondContact CA-O 3.25Å; A630-K633 PolarHBondContact N-O 3.44Å; K633-V753 HydrophobicContact CB-CG1 4.37Å; K633-V753 HydrophobicContact CD-CG1 4.32Å; K633-A754 WeakPolarHBondContact CA-O 3.48Å; K633-V755 HydrophobicContact CB-CG1 4.16Å
634L96.4Very high89.7Confident0 Ų044.2 Ų44.20%024%0.24CC..EExtended strand (participates in β ladder)trans-119.3152159.965.693.5000111.1N604 A607 L611 L628 F737 V753 A754N604-L634 HydrophobicContact CB-CB 4.23Å; N604-L634 HydrophobicContact CB-CD2 4.14Å; N604-L634 WeakPolarHBondContact O-CD2 3.45Å; A607-L634 HydrophobicContact CB-CD2 3.83Å; L611-L634 HydrophobicContact CD2-CD1 3.8Å; L628-L634 CarbonylContact O-C 3.52Å; L628-L634 VanDerWaalsContact O-CA 3.28Å; L628-L634 WeakPolarHBondContact O-CA 3.12Å; L634-F737 HydrophobicContact CD2-CE2 4.13Å; L634-V753 WeakPolarHBondContact O-CA 3.32Å; L634-A754 HydrophobicContact CD1-CB 3.84Å; L634-A754 HydrophobicContact CG-CB 4.04Å; L634-A754 PolarHBondContact N-O 3.31Å; L634-A754 PolarHBondContact O-N 3.37Å
635R95.1Very high90.1Very high75 Ų7544.9 Ų44.928%0.28325%0.248SC..EExtended strand (participates in β ladder)trans-129.1128175177.4-163.481.6-176.7-5.9108S627 L628 R751 I752 V753S627-R635 CarbonylContact C-O 3.01Å; S627-R635 WeakPolarHBondContact CA-O 3.47Å; L628-R635 HydrophobicContact CB-CB 4.11Å; L628-R635 PolarHBondContact N-O 3.05Å; L628-R635 PolarHBondContact O-N 3.5Å; R635-R751 VanDerWaalsContact CD-NE 3.35Å; R635-R751 HydrophobicContact CG-CG 3.88Å; R635-I752 CarbonylContact C-O 3.51Å; R635-I752 WeakPolarHBondContact CA-O 3.37Å; R635-V753 HydrophobicContact CG-CG2 4.47Å
636F95.3Very high90.6Very high0 Ų042 Ų420%024%0.243CC..EExtended strand (participates in β ladder)trans-129118.7-176.8-167.3-103.7000109.8T608 L611 N612 L615 Q624 F638 R751 I752T608-F636 HydrophobicContact CG2-CD2 3.59Å; T608-F636 HydrophobicContact CG2-CE2 3.91Å; L611-F636 HydrophobicContact CD2-CB 3.82Å; L611-F636 HydrophobicContact CD2-CD1 4.41Å; L611-F636 HydrophobicContact CD2-CG 4.22Å; N612-F636 HydrophobicContact CB-CE1 4.35Å; N612-F636 HydrophobicContact CB-CE2 4.23Å; N612-F636 HydrophobicContact CB-CZ 3.73Å; N612-F636 WeakPolarHBondContact OD1-CZ 3.39Å; L615-F636 HydrophobicContact CD1-CD1 3.64Å; L615-F636 HydrophobicContact CD1-CE1 3.73Å; Q624-F636 HydrophobicContact CB-CE2 4.12Å; Q624-F636 HydrophobicContact CB-CZ 3.85Å; Q624-F636 HydrophobicContact CG-CE2 3.78Å; Q624-F636 HydrophobicContact CG-CZ 4.02Å; F636-F638 HydrophobicContact CD1-CB 4.09Å; F636-F638 HydrophobicContact CD1-CD1 4.02Å; F636-F638 HydrophobicContact CD1-CG 4.37Å; F636-F638 HydrophobicContact CE1-CB 3.79Å; F636-F638 HydrophobicContact CE1-CG 4.41Å; F636-R751 WeakPolarHBondContact O-CA 3.24Å; F636-I752 PolarHBondContact N-O 3.4Å; F636-I752 PolarHBondContact O-N 3.5Å
637D92.9Very high91.3Very high13 Ų1347 Ų477%0.0726%0.261CS..EExtended strand (participates in β ladder)trans-104.2128.5179.5-55.8-15.1000108R625 G626 I745 I749 R750 R751R625-D637 HydrophobicContact CB-CB 4.46Å; R625-D637 PolarHBondContact N-O 2.87Å; G626-D637 PolarHBondContact N-O 3.42Å; G626-D637 PolarHBondContact O-N 2.92Å; D637-I745 HydrophobicContact CB-CD1 4.04Å; D637-I745 VanDerWaalsContact CG-CD1 3.41Å; D637-I745 WeakPolarHBondContact OD2-CD1 3.47Å; D637-I749 HydrophobicContact CB-CG2 4.47Å; D637-R750 CarbonylContact C-O 3.55Å; D637-R750 VanDerWaalsContact CA-O 3.29Å; D637-R750 WeakPolarHBondContact CA-O 3.26Å; D637-R751 WeakPolarHBondContact OD1-CG 3.48Å; D637-R751 IonicContact OD1-CZ 2.75Å; D637-R751 IonicContact OD1-NE 3.29Å; D637-R751 PolarHBondContact OD1-NE 3.01Å; D637-R751 IonicContact OD1-NH2 2.62Å; D637-R751 PolarHBondContact OD1-NH2 3.27Å; D637-R751 IonicContact OD2-CZ 3.8Å; D637-R751 IonicContact OD2-NE 3Å; D637-R751 IonicContact OD2-NH2 3.09Å; D637-R751 PolarHBondContact OD2-NH2 3.03Å
638F92.1Very high91.7Very high0 Ų049.1 Ų49.10%027%0.269CS..EExtended strand (participates in β ladder)trans-144.1156.8-172.164.9-77.2000112L615 L619 A622 D623 F636 A640 L644 I749 R750 I752L615-F638 HydrophobicContact CD1-CD1 4Å; L615-F638 HydrophobicContact CD1-CD2 4.35Å; L615-F638 HydrophobicContact CD1-CE1 4.18Å; L615-F638 HydrophobicContact CD1-CE2 4.49Å; L615-F638 HydrophobicContact CD1-CG 4.1Å; L615-F638 HydrophobicContact CD1-CZ 4.41Å; L615-F638 HydrophobicContact CD2-CD2 4.49Å; L615-F638 HydrophobicContact CD2-CE1 4.37Å; L615-F638 HydrophobicContact CD2-CE2 3.94Å; L615-F638 HydrophobicContact CD2-CZ 3.88Å; L619-F638 HydrophobicContact CD1-CD2 4.33Å; L619-F638 HydrophobicContact CD1-CE2 3.67Å; A622-F638 HydrophobicContact CB-CD2 4.11Å; D623-F638 CarbonylContact O-C 3.56Å; D623-F638 WeakPolarHBondContact O-CA 3.44Å; F636-F638 HydrophobicContact CD1-CB 4.09Å; F636-F638 HydrophobicContact CD1-CD1 4.02Å; F636-F638 HydrophobicContact CD1-CG 4.37Å; F636-F638 HydrophobicContact CE1-CB 3.79Å; F636-F638 HydrophobicContact CE1-CG 4.41Å; F638-A640 HydrophobicContact CD2-CB 4.03Å; F638-A640 HydrophobicContact CE2-CB 3.66Å; F638-L644 HydrophobicContact CE2-CD1 4Å; F638-L644 HydrophobicContact CZ-CD1 3.79Å; F638-L644 HydrophobicContact CZ-CD2 4.43Å; F638-I749 WeakPolarHBondContact O-CA 3.36Å; F638-R750 HydrophobicContact CD1-CB 4.37Å; F638-R750 WeakPolarHBondContact CD1-O 3.47Å; F638-R750 HydrophobicContact CE1-CB 3.85Å; F638-R750 HydrophobicContact CE2-CB 4.09Å; F638-R750 HydrophobicContact CZ-CB 3.7Å; F638-R750 PolarHBondContact N-O 2.83Å; F638-R750 PolarHBondContact O-N 3.05Å; F638-I752 HydrophobicContact CE1-CB 4.4Å; F638-I752 HydrophobicContact CE1-CD1 3.72Å; F638-I752 HydrophobicContact CE1-CG1 3.88Å; F638-I752 HydrophobicContact CZ-CD1 3.98Å; F638-I752 HydrophobicContact CZ-CG1 4.42Å
639T89.1Confident92Very high29 Ų2947.1 Ų47.118%0.17826%0.259CS..EExtended strand (participates in β ladder)trans-74.4131.4173.559.70000110.7A622 D623 R625 G748A622-T639 WeakPolarHBondContact CA-O 3.5Å; D623-T639 HydrophobicContact CB-CG2 4.3Å; D623-T639 PolarHBondContact N-OG1 2.8Å; D623-T639 PolarHBondContact O-N 2.95Å; R625-T639 HydrophobicContact CG-CG2 3.8Å; R625-T639 VanDerWaalsContact NE-CG2 3.31Å; T639-G748 VanDerWaalsContact CA-O 3.3Å; T639-G748 WeakPolarHBondContact CA-O 3.29Å
640A88.1Confident92.2Very high14 Ų1450.6 Ų50.612%0.11627%0.274CS..  trans-153.8145.8170.500000111L619 F638 G642 G748 R750L619-A640 HydrophobicContact CD1-CB 4.33Å; F638-A640 HydrophobicContact CD2-CB 4.03Å; F638-A640 HydrophobicContact CE2-CB 3.66Å; A640-G642 PolarHBondContact O-N 2.85Å; A640-G748 PolarHBondContact N-O 2.91Å; A640-G748 CarbonylContact O-C 3.54Å; A640-G748 WeakPolarHBondContact O-CA 3.31Å; A640-R750 HydrophobicContact CB-CB 4.38Å; A640-R750 HydrophobicContact CB-CG 3.73Å
641K82.8Confident92.6Very high220 Ų22055.8 Ų55.896%0.95729%0.294SS*.SBendtrans-63-22.7-177.2-64.9-173.8179.2-1750113.6
642G86.1Confident93.3Very high38 Ų3854 Ų5439%0.39228%0.283SS..SBendtrans-179.1-164.7-178.800000113.6A640 R750A640-G642 PolarHBondContact O-N 2.85Å; G642-R750 PolarHBondContact O-NE 3.42Å
643A92.2Very high94Very high84 Ų8450.6 Ų50.669%0.69427%0.265SS*.PPolyproline II helixtrans-60.9132.117800000112.1
644L95Very high94.3Very high13 Ų1348.4 Ų48.47%0.06827%0.266CS..PPolyproline II helixtrans-76.5126.6171.7-83.973.3000105.2L615 L619 F638 E648 I649L615-L644 HydrophobicContact CD2-CD2 4.1Å; L619-L644 HydrophobicContact CD1-CD1 4.13Å; L619-L644 HydrophobicContact CD1-CD2 4.38Å; L619-L644 HydrophobicContact CD1-CG 4.38Å; L619-L644 HydrophobicContact CD2-CG 4.32Å; F638-L644 HydrophobicContact CE2-CD1 4Å; F638-L644 HydrophobicContact CZ-CD1 3.79Å; F638-L644 HydrophobicContact CZ-CD2 4.43Å; L644-E648 HydrophobicContact CB-CB 4.31Å; L644-E648 HydrophobicContact CG-CB 4.42Å; L644-I649 HydrophobicContact CB-CD1 4.35Å; L644-I649 HydrophobicContact CB-CG1 3.8Å; L644-I649 HydrophobicContact CD2-CG1 4.21Å
645S95.9Very high94.4Very high54 Ų5450 Ų5038%0.37827%0.274SS..PPolyproline II helixtrans-64156.2170.6650000110.8Q647 E648 I649S645-Q647 PolarHBondContact O-N 2.92Å; S645-Q647 VanDerWaalsContact O-N 3.08Å; S645-E648 VanDerWaalsContact CB-OE2 3.32Å; S645-E648 WeakPolarHBondContact CB-OE2 3.48Å; S645-E648 PolarHBondContact N-OE2 2.72Å; S645-E648 PolarHBondContact O-N 3.23Å; S645-E648 VanDerWaalsContact OG-CG 3.31Å; S645-E648 WeakPolarHBondContact OG-CG 3.45Å; S645-E648 PolarHBondContact OG-N 3.34Å; S645-E648 PolarHBondContact OG-OE2 2.86Å; S645-I649 PolarHBondContact O-N 3.23Å
646T96.3Very high94.5Very high44 Ų4446.4 Ų46.427%0.2726%0.261SS..Hα-helixtrans-50.5-34.8172.6-54.10000112.2K650 W810 D813T646-K650 WeakPolarHBondContact O-CB 3.25Å; T646-K650 PolarHBondContact O-N 3Å; T646-K650 VanDerWaalsContact O-N 3.08Å; T646-W810 HydrophobicContact CG2-CB 3.81Å; T646-D813 HydrophobicContact CG2-CB 4.05Å; T646-D813 PolarHBondContact OG1-OD2 3.17Å
647Q97.1Very high94.6Very high122 Ų12247.8 Ų47.857%0.5727%0.268SS*.Hα-helixtrans-74.5-37.5177.8-64.5-56.8-3600113S645 K650 K651S645-Q647 PolarHBondContact O-N 2.92Å; S645-Q647 VanDerWaalsContact O-N 3.08Å; Q647-K650 PolarHBondContact O-N 3.08Å; Q647-K651 WeakPolarHBondContact O-CB 3.36Å; Q647-K651 PolarHBondContact O-N 3.34Å
648E97.3Very high94.8Very high65 Ų6552 Ų5230%0.30429%0.287SS..Hα-helixtrans-65.4-44.9174-73.9161.3135.300110.9V618 L644 S645 K650 K651 V652V618-E648 HydrophobicContact CG1-CB 4.06Å; V618-E648 HydrophobicContact CG1-CG 4Å; L644-E648 HydrophobicContact CB-CB 4.31Å; L644-E648 HydrophobicContact CG-CB 4.42Å; S645-E648 VanDerWaalsContact CB-OE2 3.32Å; S645-E648 WeakPolarHBondContact CB-OE2 3.48Å; S645-E648 PolarHBondContact N-OE2 2.72Å; S645-E648 PolarHBondContact O-N 3.23Å; S645-E648 VanDerWaalsContact OG-CG 3.31Å; S645-E648 WeakPolarHBondContact OG-CG 3.45Å; S645-E648 PolarHBondContact OG-N 3.34Å; S645-E648 PolarHBondContact OG-OE2 2.86Å; E648-K650 VanDerWaalsContact C-N 3.32Å; E648-K650 PolarHBondContact O-N 3.4Å; E648-K651 PolarHBondContact O-N 3.03Å; E648-K651 VanDerWaalsContact O-N 3.13Å; E648-V652 WeakPolarHBondContact O-CG2 3.2Å; E648-V652 PolarHBondContact O-N 2.97Å
649I97.9Very high95Very high4 Ų452.6 Ų52.62%0.02129%0.29CS..Hα-helixtrans-57.1-47.3175-63.5174.6000110.4L644 S645 K651 V652 E653 I739 E742 Q809 W810L644-I649 HydrophobicContact CB-CD1 4.35Å; L644-I649 HydrophobicContact CB-CG1 3.8Å; L644-I649 HydrophobicContact CD2-CG1 4.21Å; S645-I649 PolarHBondContact O-N 3.23Å; I649-K651 VanDerWaalsContact C-N 3.31Å; I649-K651 PolarHBondContact O-N 3.27Å; I649-V652 PolarHBondContact O-N 3.17Å; I649-E653 WeakPolarHBondContact O-CB 3.33Å; I649-E653 PolarHBondContact O-N 3.13Å; I649-I739 HydrophobicContact CG2-CB 4.28Å; I649-I739 HydrophobicContact CG2-CD1 4.24Å; I649-I739 HydrophobicContact CG2-CG2 4.03Å; I649-E742 HydrophobicContact CD1-CB 3.86Å; I649-E742 HydrophobicContact CD1-CG 4.03Å; I649-E742 HydrophobicContact CG1-CG 4.44Å; I649-Q809 HydrophobicContact CD1-CG 3.94Å; I649-Q809 HydrophobicContact CG2-CB 4.36Å; I649-W810 HydrophobicContact CG2-CB 4.31Å
650K98.1Very high95.3Very high73 Ų7351.6 Ų51.632%0.31728%0.284SS..Hα-helixtrans-59.9-40.2176.9-174.1176.2-170166.40112.4T646 Q647 E648 G654 W810 E814T646-K650 WeakPolarHBondContact O-CB 3.25Å; T646-K650 PolarHBondContact O-N 3Å; T646-K650 VanDerWaalsContact O-N 3.08Å; Q647-K650 PolarHBondContact O-N 3.08Å; E648-K650 VanDerWaalsContact C-N 3.32Å; E648-K650 PolarHBondContact O-N 3.4Å; K650-G654 PolarHBondContact O-N 3.36Å; K650-W810 HydrophobicContact CB-CB 4.07Å; K650-W810 HydrophobicContact CB-CD2 4.02Å; K650-W810 HydrophobicContact CB-CE3 4.49Å; K650-W810 HydrophobicContact CB-CG 3.83Å; K650-W810 HydrophobicContact CD-CD2 3.97Å; K650-W810 HydrophobicContact CD-CE3 3.68Å; K650-W810 HydrophobicContact CD-CH2 4.36Å; K650-W810 HydrophobicContact CD-CZ3 3.9Å; K650-W810 VanDerWaalsContact CE-CZ3 3.41Å; K650-W810 HydrophobicContact CG-CD2 3.8Å; K650-W810 HydrophobicContact CG-CE3 4.07Å; K650-W810 HydrophobicContact CG-CG 4.16Å; K650-W810 HydrophobicContact CG-CZ2 4.37Å; K650-W810 HydrophobicContact CG-CZ3 4.46Å; K650-W810 VanDerWaalsContact NZ-CZ3 3.33Å; K650-E814 IonicContact NZ-OE1 3.65Å; K650-E814 PolarHBondContact NZ-OE1 2.98Å
651K98.1Very high95.7Very high117 Ų11758.3 Ų58.351%0.50931%0.313SS..Hα-helixtrans-68-43.5177.8-171.4179.4175.1-169.50111.7V618 Q647 E648 I649 G654 I655V618-K651 HydrophobicContact CG1-CD 4.33Å; V618-K651 HydrophobicContact CG2-CB 4.17Å; V618-K651 HydrophobicContact CG2-CD 3.8Å; V618-K651 HydrophobicContact CG2-CG 3.76Å; Q647-K651 WeakPolarHBondContact O-CB 3.36Å; Q647-K651 PolarHBondContact O-N 3.34Å; E648-K651 PolarHBondContact O-N 3.03Å; E648-K651 VanDerWaalsContact O-N 3.13Å; I649-K651 VanDerWaalsContact C-N 3.31Å; I649-K651 PolarHBondContact O-N 3.27Å; K651-G654 PolarHBondContact O-N 2.8Å; K651-I655 HydrophobicContact CG-CD1 4.16Å; K651-I655 WeakPolarHBondContact O-CG1 3.22Å; K651-I655 PolarHBondContact O-N 2.91Å
652V98.2Very high96.3Very high0 Ų051.9 Ų51.90%029%0.286CS..Hα-helixtrans-60.7-50.5175.8173.90000110.3L611 A614 L615 V618 E648 I649 G654 I655 A656 I739L611-V652 HydrophobicContact CD1-CG1 3.6Å; A614-V652 HydrophobicContact CB-CG1 3.92Å; L615-V652 HydrophobicContact CD2-CG1 3.98Å; L615-V652 HydrophobicContact CD2-CG2 3.97Å; L615-V652 HydrophobicContact CG-CG1 4Å; V618-V652 HydrophobicContact CB-CG2 3.81Å; V618-V652 HydrophobicContact CG1-CG2 4.15Å; V618-V652 HydrophobicContact CG2-CG2 3.63Å; E648-V652 WeakPolarHBondContact O-CG2 3.2Å; E648-V652 PolarHBondContact O-N 2.97Å; I649-V652 PolarHBondContact O-N 3.17Å; V652-G654 VanDerWaalsContact C-N 3.29Å; V652-G654 PolarHBondContact O-N 2.9Å; V652-I655 PolarHBondContact O-N 3.4Å; V652-A656 PolarHBondContact O-N 2.85Å; V652-I739 HydrophobicContact CB-CD1 4.25Å; V652-I739 HydrophobicContact CG1-CD1 3.86Å
653E98.5Very high96.8Very high13 Ų1352.1 Ų52.16%0.06128%0.284CS..Hα-helixtrans-61.1-37.9177.3-174.4176.6101.200112I649 A656 N657 F737 V738 I739 W810I649-E653 WeakPolarHBondContact O-CB 3.33Å; I649-E653 PolarHBondContact O-N 3.13Å; E653-A656 PolarHBondContact O-N 2.84Å; E653-N657 WeakPolarHBondContact CG-ND2 3.42Å; E653-N657 PolarHBondContact O-N 3.15Å; E653-N657 PolarHBondContact O-ND2 3.22Å; E653-F737 HydrophobicContact CG-CD1 4.33Å; E653-V738 WeakPolarHBondContact OE2-CA 3.44Å; E653-I739 HydrophobicContact CB-CD1 4.09Å; E653-I739 HydrophobicContact CB-CG1 4.35Å; E653-I739 PolarHBondContact OE2-N 2.95Å; E653-W810 PolarHBondContact OE1-NE1 2.79Å
654G98.1Very high96.9Very high39 Ų3951.4 Ų51.440%0.40227%0.266SS..Hα-helixtrans-64.1-46.3176.300000113.3K650 K651 V652 A656 N657 Q658K650-G654 PolarHBondContact O-N 3.36Å; K651-G654 PolarHBondContact O-N 2.8Å; V652-G654 VanDerWaalsContact C-N 3.29Å; V652-G654 PolarHBondContact O-N 2.9Å; G654-A656 VanDerWaalsContact C-N 3.31Å; G654-A656 PolarHBondContact O-N 2.86Å; G654-N657 PolarHBondContact O-N 3.05Å; G654-Q658 WeakPolarHBondContact O-CB 3.38Å; G654-Q658 PolarHBondContact O-N 3.18Å
655I97.4Very high97Very high33 Ų3353.8 Ų53.817%0.16928%0.281CS..Hα-helixtrans-62-42.6175.9-67.7165000110.4A614 V618 K651 V652 Q658 I659A614-I655 HydrophobicContact CB-CB 3.97Å; A614-I655 HydrophobicContact CB-CG2 3.78Å; V618-I655 HydrophobicContact CG2-CD1 3.75Å; K651-I655 HydrophobicContact CG-CD1 4.16Å; K651-I655 WeakPolarHBondContact O-CG1 3.22Å; K651-I655 PolarHBondContact O-N 2.91Å; V652-I655 PolarHBondContact O-N 3.4Å; I655-Q658 PolarHBondContact O-N 2.93Å; I655-I659 HydrophobicContact CG2-CD1 4.05Å; I655-I659 WeakPolarHBondContact O-CG1 3.25Å; I655-I659 PolarHBondContact O-N 2.72Å; I655-I659 VanDerWaalsContact O-N 3.09Å
656A97.6Very high97.1Very high0 Ų052 Ų520%027%0.267CS..Hα-helixtrans-61.9-48.1179.300000112I610 A614 V652 E653 G654 Q658 I659 I660 F737I610-A656 VanDerWaalsContact CG2-CA 3.48Å; I610-A656 HydrophobicContact CG2-CB 3.75Å; A614-A656 HydrophobicContact CB-CB 4.39Å; V652-A656 PolarHBondContact O-N 2.85Å; E653-A656 PolarHBondContact O-N 2.84Å; G654-A656 VanDerWaalsContact C-N 3.31Å; G654-A656 PolarHBondContact O-N 2.86Å; A656-Q658 VanDerWaalsContact C-N 3.34Å; A656-Q658 PolarHBondContact O-N 3Å; A656-I659 PolarHBondContact O-N 2.95Å; A656-I660 WeakPolarHBondContact O-CG1 3.4Å; A656-I660 PolarHBondContact O-N 2.78Å; A656-F737 HydrophobicContact CB-CD1 3.67Å; A656-F737 HydrophobicContact CB-CE1 3.85Å; A656-F737 HydrophobicContact CB-CG 4.4Å
657N97.9Very high97.1Very high28 Ų2853.5 Ų53.515%0.1527%0.269CS..Hα-helixtrans-65.6-35.9176.7-76.8-69.2000112.3E653 G654 I659 I660 E661 F737E653-N657 WeakPolarHBondContact CG-ND2 3.42Å; E653-N657 PolarHBondContact O-N 3.15Å; E653-N657 PolarHBondContact O-ND2 3.22Å; G654-N657 PolarHBondContact O-N 3.05Å; N657-I659 PolarHBondContact O-N 3.26Å; N657-I660 WeakPolarHBondContact O-CB 3.34Å; N657-I660 PolarHBondContact O-N 2.87Å; N657-E661 WeakPolarHBondContact O-CB 3.2Å; N657-E661 VanDerWaalsContact O-CG 3.31Å; N657-E661 WeakPolarHBondContact O-CG 3.39Å; N657-E661 PolarHBondContact O-N 2.77Å; N657-F737 PolarHBondContact ND2-O 3.35Å; N657-F737 PolarHBondContact OD1-N 3.06Å; N657-F737 PolarHBondContact OD1-O 2.91Å
658Q97.1Very high97Very high102 Ų10249.8 Ų49.848%0.47726%0.259SS..Hα-helixtrans-58.9-46.3174.9-177.5-173.9-19.100111.6G654 I655 A656 I660 E661 E662G654-Q658 WeakPolarHBondContact O-CB 3.38Å; G654-Q658 PolarHBondContact O-N 3.18Å; I655-Q658 PolarHBondContact O-N 2.93Å; A656-Q658 VanDerWaalsContact C-N 3.34Å; A656-Q658 PolarHBondContact O-N 3Å; Q658-I660 VanDerWaalsContact C-N 3.27Å; Q658-I660 PolarHBondContact O-N 3.07Å; Q658-E661 PolarHBondContact O-N 2.94Å; Q658-E662 HydrophobicContact CG-CG 4.47Å; Q658-E662 WeakPolarHBondContact CG-OE1 3.38Å; Q658-E662 PolarHBondContact NE2-OE1 3.11Å; Q658-E662 WeakPolarHBondContact O-CB 3.43Å; Q658-E662 VanDerWaalsContact O-CG 3.28Å; Q658-E662 WeakPolarHBondContact O-CG 3.39Å; Q658-E662 PolarHBondContact O-N 3.38Å
659I95.7Very high96.9Very high12 Ų1250.2 Ų50.26%0.06226%0.26CS..Hα-helixtrans-63.6-35.5178.5-68.4166.8000111.5I610 F613 I655 A656 N657 K664 I699 S731I610-I659 HydrophobicContact CD1-CG2 3.96Å; I610-I659 HydrophobicContact CG1-CG2 3.95Å; I610-I659 HydrophobicContact CG2-CB 4.03Å; I610-I659 HydrophobicContact CG2-CD1 4.13Å; I610-I659 HydrophobicContact CG2-CG2 4.15Å; F613-I659 HydrophobicContact CD1-CD1 3.52Å; F613-I659 HydrophobicContact CE1-CD1 3.82Å; I655-I659 HydrophobicContact CG2-CD1 4.05Å; I655-I659 WeakPolarHBondContact O-CG1 3.25Å; I655-I659 PolarHBondContact O-N 2.72Å; I655-I659 VanDerWaalsContact O-N 3.09Å; A656-I659 PolarHBondContact O-N 2.95Å; N657-I659 PolarHBondContact O-N 3.26Å; I659-K664 HydrophobicContact CG2-CD 4.4Å; I659-I699 HydrophobicContact CG2-CG2 4.26Å; I659-S731 WeakPolarHBondContact O-CB 2.92Å; I659-S731 PolarHBondContact O-OG 2.78Å
660I96.3Very high96.7Very high8 Ų854.3 Ų54.34%0.04128%0.282CS..Hα-helixtrans-66.1-46.1174.3-68.5169.5000110.2I610 A656 N657 Q658 E662 A663 S732 A734 G735 F737I610-I660 HydrophobicContact CD1-CG1 3.78Å; A656-I660 WeakPolarHBondContact O-CG1 3.4Å; A656-I660 PolarHBondContact O-N 2.78Å; N657-I660 WeakPolarHBondContact O-CB 3.34Å; N657-I660 PolarHBondContact O-N 2.87Å; Q658-I660 VanDerWaalsContact C-N 3.27Å; Q658-I660 PolarHBondContact O-N 3.07Å; I660-E662 VanDerWaalsContact C-N 3.34Å; I660-E662 PolarHBondContact O-N 3.09Å; I660-A663 PolarHBondContact O-N 3.02Å; I660-S732 WeakPolarHBondContact O-CA 3.3Å; I660-S732 VanDerWaalsContact O-CB 3.32Å; I660-S732 WeakPolarHBondContact O-CB 3.48Å; I660-S732 PolarHBondContact O-N 2.99Å; I660-A734 HydrophobicContact CD1-CB 4.12Å; I660-A734 HydrophobicContact CG1-CB 4.25Å; I660-A734 HydrophobicContact CG2-CB 4.47Å; I660-G735 WeakPolarHBondContact CG2-O 3.28Å; I660-F737 HydrophobicContact CD1-CB 3.61Å
661E96.3Very high96.5Very high155 Ų15551.2 Ų51.272%0.72427%0.269SS*.Hα-helixtrans-66.6-32.3180-73.6173-17300113.3N657 Q658 A663N657-E661 WeakPolarHBondContact O-CB 3.2Å; N657-E661 VanDerWaalsContact O-CG 3.31Å; N657-E661 WeakPolarHBondContact O-CG 3.39Å; N657-E661 PolarHBondContact O-N 2.77Å; Q658-E661 PolarHBondContact O-N 2.94Å; E661-A663 PolarHBondContact O-N 2.76Å; E661-A663 VanDerWaalsContact O-N 3.1Å
662E95.8Very high96.2Very high86 Ų8651 Ų5140%0.40227%0.273SS..THydrogen-bonded Turntrans-64.7-9.4175.2-76.3171-176.500113.4Q658 I660 K664Q658-E662 HydrophobicContact CG-CG 4.47Å; Q658-E662 WeakPolarHBondContact CG-OE1 3.38Å; Q658-E662 PolarHBondContact NE2-OE1 3.11Å; Q658-E662 WeakPolarHBondContact O-CB 3.43Å; Q658-E662 VanDerWaalsContact O-CG 3.28Å; Q658-E662 WeakPolarHBondContact O-CG 3.39Å; Q658-E662 PolarHBondContact O-N 3.38Å; I660-E662 VanDerWaalsContact C-N 3.34Å; I660-E662 PolarHBondContact O-N 3.09Å; E662-K664 VanDerWaalsContact C-N 3.26Å; E662-K664 HydrophobicContact CB-CD 4.45Å; E662-K664 HydrophobicContact CB-CG 4.17Å; E662-K664 PolarHBondContact O-N 3.25Å; E662-K664 WeakPolarHBondContact OE2-CE 3.22Å; E662-K664 IonicContact OE2-NZ 3.98Å; E662-K664 PolarHBondContact OE2-NZ 2.93Å
663A95.9Very high95.7Very high43 Ų4352.1 Ų52.136%0.35528%0.278SS..THydrogen-bonded Turntrans50.644.6176.400000113.1I660 E661 N730I660-A663 PolarHBondContact O-N 3.02Å; E661-A663 PolarHBondContact O-N 2.76Å; E661-A663 VanDerWaalsContact O-N 3.1Å; A663-N730 VanDerWaalsContact CA-OD1 3.26Å; A663-N730 WeakPolarHBondContact CA-OD1 3.16Å; A663-N730 PolarHBondContact O-ND2 3.04Å; A663-N730 PolarHBondContact O-OD1 3.49Å
664K94.8Very high95.1Very high69 Ų6955 Ų5530%0.331%0.305SS..PPolyproline II helixtrans-68.5137179.7-77.1174.4166.4161.30111I659 E662 I699 N730 S731I659-K664 HydrophobicContact CG2-CD 4.4Å; E662-K664 VanDerWaalsContact C-N 3.26Å; E662-K664 HydrophobicContact CB-CD 4.45Å; E662-K664 HydrophobicContact CB-CG 4.17Å; E662-K664 PolarHBondContact O-N 3.25Å; E662-K664 WeakPolarHBondContact OE2-CE 3.22Å; E662-K664 IonicContact OE2-NZ 3.98Å; E662-K664 PolarHBondContact OE2-NZ 2.93Å; K664-I699 HydrophobicContact CB-CG2 4Å; K664-N730 CarbonylContact O-C 3.56Å; K664-N730 WeakPolarHBondContact O-CA 3.34Å; K664-S731 PolarHBondContact N-OG 2.83Å; K664-S731 PolarHBondContact O-N 3.25Å; K664-S731 PolarHBondContact O-OG 3.2Å
665T97Very high94.7Very high63 Ų6355.4 Ų55.439%0.38730%0.304SS..BIsolated β-bridgetrans-65.1138.2171.7-58.10000110.5Y667 G700T665-Y667 HydrophobicContact CG2-CD1 4.31Å; T665-Y667 HydrophobicContact CG2-CD2 4.32Å; T665-Y667 HydrophobicContact CG2-CE1 3.85Å; T665-Y667 HydrophobicContact CG2-CE2 3.85Å; T665-G700 WeakPolarHBondContact O-CA 3.34Å; T665-G700 PolarHBondContact O-N 3.38Å
666V97.6Very high94.3Very high16 Ų1653.8 Ų53.810%0.09730%0.296CS..EExtended strand (participates in β ladder)trans-98.8117.9173.6-178.40000108.2T606 V697 I699 H727 L728 Q729T606-V666 HydrophobicContact CG2-CG2 4.03Å; V666-V697 HydrophobicContact CG1-CG1 4Å; V666-I699 HydrophobicContact CG1-CG1 4.43Å; V666-I699 HydrophobicContact CG2-CG1 4.32Å; V666-I699 HydrophobicContact CG2-CG2 4.35Å; V666-H727 HydrophobicContact CG1-CB 4.15Å; V666-L728 WeakPolarHBondContact CB-O 3.43Å; V666-L728 VanDerWaalsContact CG1-O 3.27Å; V666-L728 WeakPolarHBondContact CG1-O 3.42Å; V666-L728 WeakPolarHBondContact CG2-O 3.36Å; V666-Q729 PolarHBondContact N-O 2.66Å
667Y97.1Very high93.9Very high75 Ų7559.9 Ų59.929%0.29432%0.322SS..EExtended strand (participates in β ladder)trans-98.7139.9178.7-60.8-84.8000109.6T665 V697 S698 I701 P702T665-Y667 HydrophobicContact CG2-CD1 4.31Å; T665-Y667 HydrophobicContact CG2-CD2 4.32Å; T665-Y667 HydrophobicContact CG2-CE1 3.85Å; T665-Y667 HydrophobicContact CG2-CE2 3.85Å; Y667-V697 CarbonylContact O-C 3.42Å; Y667-V697 WeakPolarHBondContact O-CA 3.05Å; Y667-S698 PolarHBondContact N-O 3.09Å; Y667-S698 PolarHBondContact O-N 3.37Å; Y667-I701 WeakPolarHBondContact CD2-O 3.34Å; Y667-P702 HydrophobicContact CD1-CB 4.34Å; Y667-P702 HydrophobicContact CE1-CB 4.26Å; Y667-P702 HydrophobicContact CE1-CG 4.04Å; Y667-P702 HydrophobicContact CE2-CG 4.12Å
668A95.4Very high93.4Very high45 Ų4561.4 Ų61.437%0.37234%0.339SS..EExtended strand (participates in β ladder)trans-137.9132.3172.700000109.6V696 V697A668-V696 CarbonylContact C-O 3.49Å; A668-V696 VanDerWaalsContact CA-O 3.27Å; A668-V696 WeakPolarHBondContact CA-O 3.2Å; A668-V697 HydrophobicContact CB-CG2 4.18Å
669K94.6Very high93.1Very high74 Ų7457 Ų5732%0.32232%0.318SS..EExtended strand (participates in β ladder)trans-151.9138.8-177.3-175.9174.2-172.7168.10112.6C671 V696 V703 E704K669-C671 PolarHBondContact O-SG 2.72Å; K669-C671 VanDerWaalsContact O-SG 3.34Å; K669-V696 PolarHBondContact N-O 3.22Å; K669-V696 PolarHBondContact O-N 3.15Å; K669-V703 HydrophobicContact CB-CB 4.07Å; K669-V703 HydrophobicContact CB-CG1 4.15Å; K669-V703 HydrophobicContact CB-CG2 4.22Å; K669-V703 HydrophobicContact CD-CB 4.45Å; K669-V703 HydrophobicContact CD-CG1 4.46Å; K669-E704 WeakPolarHBondContact CD-OE1 3.44Å; K669-E704 WeakPolarHBondContact CE-OE1 3.31Å; K669-E704 IonicContact NZ-OE1 3.53Å; K669-E704 PolarHBondContact NZ-OE1 3.47Å
670D94.1Very high92.6Very high90 Ų9061.4 Ų61.448%0.48134%0.338SS..EExtended strand (participates in β ladder)trans-79.7126.5170.1-55.2-32.1000109.9P693 V694 R695D670-P693 HydrophobicContact CB-CB 4.33Å; D670-V694 CarbonylContact C-O 3.58Å; D670-V694 WeakPolarHBondContact CA-O 3.34Å; D670-R695 WeakPolarHBondContact OD1-CA 3.17Å; D670-R695 VanDerWaalsContact OD1-CB 3.27Å; D670-R695 WeakPolarHBondContact OD1-CB 3.28Å; D670-R695 WeakPolarHBondContact OD1-CG 3.35Å; D670-R695 IonicContact OD1-NH1 3.33Å; D670-R695 PolarHBondContact OD1-NH1 3.14Å; D670-R695 IonicContact OD2-NH1 3.71Å
671C92.1Very high92.1Very high8 Ų861.6 Ų61.65%0.05434%0.342CS..EExtended strand (participates in β ladder)trans-132.2156.5-169.7-57.10000110.4K669 L673 A676 P693 V694 V696 L707K669-C671 PolarHBondContact O-SG 2.72Å; K669-C671 VanDerWaalsContact O-SG 3.34Å; C671-L673 PolarHBondContact O-N 2.94Å; C671-A676 HydrophobicContact CB-CB 4.13Å; C671-P693 CarbonylContact O-C 3.53Å; C671-P693 VanDerWaalsContact O-CA 3.31Å; C671-P693 WeakPolarHBondContact O-CA 3.48Å; C671-P693 WeakPolarHBondContact O-CB 3.48Å; C671-V694 PolarHBondContact N-O 2.94Å; C671-V694 PolarHBondContact O-N 2.8Å; C671-V696 HydrophobicContact CB-CG2 4.05Å; C671-L707 HydrophobicContact CB-CD1 4.38Å
672I91.9Very high91.7Very high113 Ų11355.2 Ų55.258%0.57931%0.313SS*.  trans-63126.2169.4-62.5171000108.3A674 A675 A676 D692I672-A674 VanDerWaalsContact C-N 3.28Å; I672-A674 HydrophobicContact CG2-CB 4.38Å; I672-A674 PolarHBondContact O-N 3.21Å; I672-A675 HydrophobicContact CB-CB 4.29Å; I672-A675 PolarHBondContact O-N 3.1Å; I672-A676 PolarHBondContact O-N 3.18Å; I672-D692 WeakPolarHBondContact CA-OD1 3.46Å
673L88.4Confident91.2Very high22 Ų2253.6 Ų53.612%0.11530%0.303CS..Hα-helixtrans-54.9-43.8-173.5178.762000112.5C671 A675 A676 K677 D692 V694 F722C671-L673 PolarHBondContact O-N 2.94Å; L673-A675 PolarHBondContact O-N 3.46Å; L673-A676 PolarHBondContact O-N 3.15Å; L673-K677 HydrophobicContact CD1-CD 4.31Å; L673-K677 HydrophobicContact CD1-CG 4.19Å; L673-K677 HydrophobicContact CG-CD 4.32Å; L673-K677 WeakPolarHBondContact O-CB 3.44Å; L673-K677 WeakPolarHBondContact O-CG 3.44Å; L673-K677 PolarHBondContact O-N 3.03Å; L673-D692 HydrophobicContact CB-CB 3.87Å; L673-D692 HydrophobicContact CD2-CB 4.46Å; L673-D692 PolarHBondContact N-OD1 3.49Å; L673-V694 HydrophobicContact CB-CG1 4.3Å; L673-V694 HydrophobicContact CD1-CB 3.9Å; L673-V694 HydrophobicContact CD1-CG1 3.78Å; L673-V694 HydrophobicContact CD1-CG2 4.27Å; L673-F722 HydrophobicContact CD1-CE2 4.05Å; L673-F722 HydrophobicContact CD1-CZ 4.02Å
674A86.6Confident90.4Very high75 Ų7553 Ų5362%0.6230%0.299SS*.Hα-helixtrans-62.8-40.2179.600000112.8I672 A678I672-A674 VanDerWaalsContact C-N 3.28Å; I672-A674 HydrophobicContact CG2-CB 4.38Å; I672-A674 PolarHBondContact O-N 3.21Å; A674-A678 PolarHBondContact O-N 2.88Å
675A88.3Confident89.2Confident46 Ų4651.3 Ų51.338%0.3829%0.294SS..Hα-helixtrans-69.7-41.8178.900000111.2I672 L673 A678 L707I672-A675 HydrophobicContact CB-CB 4.29Å; I672-A675 PolarHBondContact O-N 3.1Å; L673-A675 PolarHBondContact O-N 3.46Å; A675-A678 WeakPolarHBondContact O-CB 3.39Å; A675-A678 PolarHBondContact O-N 3.28Å; A675-L707 HydrophobicContact CB-CD2 4.03Å
676A90.4Very high87Confident0 Ų055.6 Ų55.60%031%0.308CS..Hα-helixtrans-68.9-39.4179.600000112.1C671 I672 L673 A678 I679 L682 V694 V696 F722C671-A676 HydrophobicContact CB-CB 4.13Å; I672-A676 PolarHBondContact O-N 3.18Å; L673-A676 PolarHBondContact O-N 3.15Å; A676-A678 PolarHBondContact O-N 2.82Å; A676-A678 VanDerWaalsContact O-N 3.15Å; A676-I679 WeakPolarHBondContact O-CB 3.32Å; A676-I679 WeakPolarHBondContact O-CG1 3.39Å; A676-I679 PolarHBondContact O-N 3.39Å; A676-L682 HydrophobicContact CB-CD1 4.46Å; A676-L682 WeakPolarHBondContact O-CD1 3.45Å; A676-V694 HydrophobicContact CB-CG1 4.03Å; A676-V696 HydrophobicContact CB-CG2 3.75Å; A676-F722 HydrophobicContact CB-CE1 3.59Å; A676-F722 HydrophobicContact CB-CZ 4.06Å
677K89.4Confident84.9Confident128 Ų12858.7 Ų58.756%0.55732%0.324SS*.Hα-helixtrans-60-22.7174.2-79.3-172.8177.2-175.50113.9L673 I679 F722L673-K677 HydrophobicContact CD1-CD 4.31Å; L673-K677 HydrophobicContact CD1-CG 4.19Å; L673-K677 HydrophobicContact CG-CD 4.32Å; L673-K677 WeakPolarHBondContact O-CB 3.44Å; L673-K677 WeakPolarHBondContact O-CG 3.44Å; L673-K677 PolarHBondContact O-N 3.03Å; K677-I679 VanDerWaalsContact C-N 3.27Å; K677-I679 PolarHBondContact O-N 3.16Å; K677-F722 HydrophobicContact CG-CE2 3.91Å; K677-F722 HydrophobicContact CG-CZ 3.76Å
678A87.5Confident83.3Confident60 Ų6059 Ų5950%0.49633%0.328SS..THydrogen-bonded Turntrans-74.8-16.2177.300000113.2A674 A675 A676 Q680 P710A674-A678 PolarHBondContact O-N 2.88Å; A675-A678 WeakPolarHBondContact O-CB 3.39Å; A675-A678 PolarHBondContact O-N 3.28Å; A676-A678 PolarHBondContact O-N 2.82Å; A676-A678 VanDerWaalsContact O-N 3.15Å; A678-Q680 PolarHBondContact O-N 3.3Å; A678-P710 HydrophobicContact CB-CB 4.02Å
679I89.4Confident81.8Confident8 Ų861.1 Ų61.14%0.04134%0.336CS..SBendtrans-68.7117.1-176.7-58.1168.9000110.4A676 K677 G681 L682 L706 L707 P710 I720A676-I679 WeakPolarHBondContact O-CB 3.32Å; A676-I679 WeakPolarHBondContact O-CG1 3.39Å; A676-I679 PolarHBondContact O-N 3.39Å; K677-I679 VanDerWaalsContact C-N 3.27Å; K677-I679 PolarHBondContact O-N 3.16Å; I679-G681 PolarHBondContact O-N 3.32Å; I679-L682 HydrophobicContact CB-CB 4.09Å; I679-L682 HydrophobicContact CB-CD1 4.48Å; I679-L682 HydrophobicContact CD1-CD1 4.33Å; I679-L682 HydrophobicContact CG2-CB 4.37Å; I679-L682 VanDerWaalsContact O-CB 3.29Å; I679-L682 WeakPolarHBondContact O-CB 3.32Å; I679-L682 PolarHBondContact O-N 3.34Å; I679-L682 VanDerWaalsContact O-N 3.14Å; I679-L706 HydrophobicContact CD1-CB 4.05Å; I679-L706 HydrophobicContact CG2-CB 4.18Å; I679-L707 HydrophobicContact CD1-CD2 3.89Å; I679-L707 HydrophobicContact CD1-CG 4.23Å; I679-L707 HydrophobicContact CG1-CD2 4.42Å; I679-P710 CarbonylContact C-O 3.55Å; I679-P710 WeakPolarHBondContact CA-O 3.01Å; I679-P710 HydrophobicContact CG1-CB 4.23Å; I679-I720 HydrophobicContact CD1-CD1 3.94Å; I679-I720 HydrophobicContact CG2-CD1 4.05Å
680Q85.8Confident81Confident105 Ų10558.8 Ų58.849%0.49133%0.326SS..THydrogen-bonded Turntrans-65.2121.8177.2-175.7179.9-36.500110.5A678 P710 S711 G715 S716A678-Q680 PolarHBondContact O-N 3.3Å; Q680-P710 WeakPolarHBondContact CB-O 3.37Å; Q680-P710 PolarHBondContact N-O 3.12Å; Q680-S711 PolarHBondContact OE1-O 3.37Å; Q680-G715 CarbonylContact O-C 3.53Å; Q680-G715 WeakPolarHBondContact O-CA 3.46Å; Q680-S716 PolarHBondContact O-N 3.44Å
681G84.8Confident80.3Confident12 Ų1257.6 Ų57.612%0.12432%0.323CS..THydrogen-bonded Turntrans93.5-5.3-179.500000114I679 R683 G715I679-G681 PolarHBondContact O-N 3.32Å; G681-R683 PolarHBondContact O-N 2.92Å; G681-R683 PolarHBondContact O-NE 3.45Å; G681-R683 PolarHBondContact O-NH1 3.49Å; G681-R683 VanDerWaalsContact O-NH1 3.14Å; G681-R683 PolarHBondContact O-NH2 2.87Å; G681-G715 CarbonylContact C-O 3.57Å; G681-G715 WeakPolarHBondContact CA-O 3.25Å
682L88.8Confident79.8Confident21 Ų2161.2 Ų61.211%0.1134%0.342CS..  trans-56.4136.7166-175.4139000110.4A676 I679 A684 V696 I720 F722A676-L682 HydrophobicContact CB-CD1 4.46Å; A676-L682 WeakPolarHBondContact O-CD1 3.45Å; I679-L682 HydrophobicContact CB-CB 4.09Å; I679-L682 HydrophobicContact CB-CD1 4.48Å; I679-L682 HydrophobicContact CD1-CD1 4.33Å; I679-L682 HydrophobicContact CG2-CB 4.37Å; I679-L682 VanDerWaalsContact O-CB 3.29Å; I679-L682 WeakPolarHBondContact O-CB 3.32Å; I679-L682 PolarHBondContact O-N 3.34Å; I679-L682 VanDerWaalsContact O-N 3.14Å; L682-A684 HydrophobicContact CD2-CB 4.27Å; L682-V696 HydrophobicContact CD1-CG1 4.23Å; L682-I720 HydrophobicContact CB-CG1 4.33Å; L682-I720 HydrophobicContact CD1-CD1 4.03Å; L682-I720 HydrophobicContact CD1-CG1 3.94Å; L682-I720 HydrophobicContact CG-CG1 4.16Å; L682-F722 HydrophobicContact CD1-CD1 3.92Å; L682-F722 HydrophobicContact CD1-CE1 3.44Å; L682-F722 VanDerWaalsContact CD1-CE1 3.44Å; L682-F722 HydrophobicContact CD1-CZ 3.98Å; L682-F722 HydrophobicContact CD2-CD1 4.08Å; L682-F722 HydrophobicContact CD2-CD2 4.05Å; L682-F722 HydrophobicContact CD2-CE1 3.71Å; L682-F722 HydrophobicContact CD2-CE2 3.69Å; L682-F722 HydrophobicContact CD2-CG 4.22Å; L682-F722 HydrophobicContact CD2-CZ 3.5Å; L682-F722 VanDerWaalsContact CD2-CZ 3.5Å; L682-F722 HydrophobicContact CG-CD1 4.5Å; L682-F722 HydrophobicContact CG-CE1 4.2Å; L682-F722 HydrophobicContact CG-CZ 4.41Å
683R84.8Confident79.6Confident52 Ų5260 Ų6020%0.19634%0.341CS..BIsolated β-bridgetrans-102.3134.7171.7-50.6-66.9158.7-116-12.4109.8R616 G681 I720 E721 F722R616-R683 VanDerWaalsContact NH1-NE 3.17Å; R616-R683 VanDerWaalsContact NH1-NH2 3.19Å; G681-R683 PolarHBondContact O-N 2.92Å; G681-R683 PolarHBondContact O-NE 3.45Å; G681-R683 PolarHBondContact O-NH1 3.49Å; G681-R683 VanDerWaalsContact O-NH1 3.14Å; G681-R683 PolarHBondContact O-NH2 2.87Å; R683-I720 PolarHBondContact N-O 3.17Å; R683-E721 HydrophobicContact CB-CB 4.29Å; R683-E721 HydrophobicContact CB-CG 3.86Å; R683-E721 HydrophobicContact CG-CG 4.25Å; R683-E721 CarbonylContact O-C 3.4Å; R683-E721 VanDerWaalsContact O-CA 3.24Å; R683-E721 WeakPolarHBondContact O-CA 3.18Å; R683-F722 PolarHBondContact O-N 3.49Å
684A79.4Confident79.8Confident31 Ų3159 Ų5926%0.25634%0.336SS..  trans-136.3148.9167.300000105.3L682 F686 Y690 F722L682-A684 HydrophobicContact CD2-CB 4.27Å; A684-F686 PolarHBondContact O-N 2.94Å; A684-F686 VanDerWaalsContact O-N 3.14Å; A684-Y690 HydrophobicContact CB-CE2 3.75Å; A684-F722 HydrophobicContact CB-CD2 3.52Å; A684-F722 HydrophobicContact CB-CE2 3.87Å; A684-F722 HydrophobicContact CB-CG 4.47Å
685V69.7Low80.1Confident34 Ų3457.4 Ų57.421%0.20631%0.314CS..  trans-70.8110.5165.2-177.10000105.1D687 E688 Y690V685-D687 PolarHBondContact O-N 2.95Å; V685-E688 HydrophobicContact CB-CB 4.09Å; V685-E688 HydrophobicContact CB-CG 3.77Å; V685-E688 HydrophobicContact CG1-CB 4.48Å; V685-E688 HydrophobicContact CG1-CG 3.84Å; V685-E688 PolarHBondContact O-N 3.37Å; V685-Y690 PolarHBondContact N-OH 2.94Å
686F50.9Low80.4Confident152 Ų15255.2 Ų55.267%0.66730%0.296SS*.THydrogen-bonded Turntrans-56.7-21.1-167.6-83.1-83.3000114.2A684A684-F686 PolarHBondContact O-N 2.94Å; A684-F686 VanDerWaalsContact O-N 3.14Å
687D53.8Low80.7Confident81 Ų8155.4 Ų55.443%0.43330%0.297SS..THydrogen-bonded Turntrans-102.5-2.4-178-52.6-48.1000113.2L34 R625 V685L34-D687 HydrophobicContact CD1-CB 3.4Å; L34-D687 VanDerWaalsContact CD1-CB 3.4Å; L34-D687 WeakPolarHBondContact CD1-O 3.32Å; L34-D687 VanDerWaalsContact CD2-O 3.3Å; L34-D687 WeakPolarHBondContact CD2-O 3.3Å; R625-D687 IonicContact NH1-OD2 2.91Å; V685-D687 PolarHBondContact O-N 2.95Å
688E64.3Low81.1Confident81 Ų8149.3 Ų49.338%0.37927%0.27SS..PPolyproline II helixtrans-87.2141.3174.7-75.8-179.5-179.500111.7V685 Y690V685-E688 HydrophobicContact CB-CB 4.09Å; V685-E688 HydrophobicContact CB-CG 3.77Å; V685-E688 HydrophobicContact CG1-CB 4.48Å; V685-E688 HydrophobicContact CG1-CG 3.84Å; V685-E688 PolarHBondContact O-N 3.37Å; E688-Y690 HydrophobicContact CB-CE2 3.86Å; E688-Y690 WeakPolarHBondContact O-CD2 3.42Å; E688-Y690 WeakPolarHBondContact O-CE2 3.36Å; E688-Y690 PolarHBondContact OE2-OH 2.94Å
689T63.3Low81.5Confident90 Ų9046.6 Ų46.655%0.55225%0.247SC*.PPolyproline II helixtrans-94124.6170.3-54.30000110.4H61H61-T689 VanDerWaalsContact NE2-CG2 3.26Å; H61-T689 WeakPolarHBondContact NE2-CG2 3.49Å
690Y77.3Confident81.8Confident26 Ų2647.5 Ų47.510%0.10226%0.259CS..PPolyproline II helixtrans-99142.8179.5-63.2-83.2000110.8A684 V685 E688 V694 F722A684-Y690 HydrophobicContact CB-CE2 3.75Å; V685-Y690 PolarHBondContact N-OH 2.94Å; E688-Y690 HydrophobicContact CB-CE2 3.86Å; E688-Y690 WeakPolarHBondContact O-CD2 3.42Å; E688-Y690 WeakPolarHBondContact O-CE2 3.36Å; E688-Y690 PolarHBondContact OE2-OH 2.94Å; Y690-V694 HydrophobicContact CD1-CG2 4.13Å; Y690-V694 HydrophobicContact CG-CG2 4.21Å; Y690-F722 HydrophobicContact CD1-CB 3.56Å; Y690-F722 AromaticContact CD1-CD2 3.89Å; Y690-F722 HydrophobicContact CD1-CD2 3.89Å; Y690-F722 HydrophobicContact CD1-CG 4.03Å; Y690-F722 AromaticContact CD2-CD2 3.53Å; Y690-F722 HydrophobicContact CD2-CD2 3.53Å; Y690-F722 HydrophobicContact CD2-CE2 4.11Å; Y690-F722 HydrophobicContact CD2-CG 4.46Å; Y690-F722 HydrophobicContact CE1-CB 3.36Å; Y690-F722 HydrophobicContact CE1-CD2 4.04Å; Y690-F722 HydrophobicContact CE1-CG 4.15Å; Y690-F722 HydrophobicContact CE2-CB 4.48Å; Y690-F722 AromaticContact CE2-CD2 3.68Å; Y690-F722 HydrophobicContact CE2-CD2 3.68Å; Y690-F722 HydrophobicContact CE2-CE2 4.48Å; Y690-F722 HydrophobicContact CG-CB 4.22Å; Y690-F722 AromaticContact CG-CD2 3.65Å; Y690-F722 HydrophobicContact CG-CD2 3.65Å; Y690-F722 HydrophobicContact CG-CE2 4.37Å; Y690-F722 HydrophobicContact CG-CG 4.2Å; Y690-F722 AromaticContact CZ-CD2 3.93Å
691P78.8Confident82.3Confident64 Ų6444 Ų4442%0.41624%0.243SC..PPolyproline II helixtrans-66.4161.5174.729.1-34.9000111.5P693 V694P691-P693 CarbonylContact C-O 3.55Å; P691-P693 CarbonylContact O-C 3.57Å; P691-P693 VanDerWaalsContact O-C 3.32Å; P691-V694 WeakPolarHBondContact O-CA 3.31Å; P691-V694 VanDerWaalsContact O-CB 3.32Å; P691-V694 WeakPolarHBondContact O-CB 3.33Å; P691-V694 PolarHBondContact O-N 3.27Å
692D81.4Confident82.8Confident85 Ų8544.6 Ų44.646%0.45525%0.245SC..SBendtrans-122.2112.5169.1-168.616.2000108.7I672 L673I672-D692 WeakPolarHBondContact CA-OD1 3.46Å; L673-D692 HydrophobicContact CB-CB 3.87Å; L673-D692 HydrophobicContact CD2-CB 4.46Å; L673-D692 PolarHBondContact N-OD1 3.49Å
693P89.2Confident83.1Confident86 Ų8643.6 Ų43.656%0.55824%0.24SC*.SBendcis-71.4151.17.531.2-36.1000114.3D670 C671 P691D670-P693 HydrophobicContact CB-CB 4.33Å; C671-P693 CarbonylContact O-C 3.53Å; C671-P693 VanDerWaalsContact O-CA 3.31Å; C671-P693 WeakPolarHBondContact O-CA 3.48Å; C671-P693 WeakPolarHBondContact O-CB 3.48Å; P691-P693 CarbonylContact C-O 3.55Å; P691-P693 CarbonylContact O-C 3.57Å; P691-P693 VanDerWaalsContact O-C 3.32Å
694V91.1Very high83.6Confident3 Ų345.6 Ų45.62%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-105139177.367.10000111.3D670 C671 L673 A676 Y690 P691 V696 F722D670-V694 CarbonylContact C-O 3.58Å; D670-V694 WeakPolarHBondContact CA-O 3.34Å; C671-V694 PolarHBondContact N-O 2.94Å; C671-V694 PolarHBondContact O-N 2.8Å; L673-V694 HydrophobicContact CB-CG1 4.3Å; L673-V694 HydrophobicContact CD1-CB 3.9Å; L673-V694 HydrophobicContact CD1-CG1 3.78Å; L673-V694 HydrophobicContact CD1-CG2 4.27Å; A676-V694 HydrophobicContact CB-CG1 4.03Å; Y690-V694 HydrophobicContact CD1-CG2 4.13Å; Y690-V694 HydrophobicContact CG-CG2 4.21Å; P691-V694 WeakPolarHBondContact O-CA 3.31Å; P691-V694 VanDerWaalsContact O-CB 3.32Å; P691-V694 WeakPolarHBondContact O-CB 3.33Å; P691-V694 PolarHBondContact O-N 3.27Å; V694-V696 HydrophobicContact CG1-CG2 4.27Å; V694-F722 HydrophobicContact CB-CD1 4.5Å; V694-F722 HydrophobicContact CG1-CD1 4Å; V694-F722 HydrophobicContact CG1-CE1 3.68Å; V694-F722 HydrophobicContact CG1-CZ 4.24Å; V694-F722 HydrophobicContact CG2-CB 4.1Å; V694-F722 HydrophobicContact CG2-CD1 3.62Å; V694-F722 HydrophobicContact CG2-CD2 4.32Å; V694-F722 HydrophobicContact CG2-CE1 4.08Å; V694-F722 HydrophobicContact CG2-CG 3.76Å
695R93.6Very high84.3Confident41 Ų4150 Ų5016%0.15527%0.266CS..EExtended strand (participates in β ladder)trans-81.4121173.3-167.4173.3-173.885.3-4.6111.3D670 F722 C723D670-R695 WeakPolarHBondContact OD1-CA 3.17Å; D670-R695 VanDerWaalsContact OD1-CB 3.27Å; D670-R695 WeakPolarHBondContact OD1-CB 3.28Å; D670-R695 WeakPolarHBondContact OD1-CG 3.35Å; D670-R695 IonicContact OD1-NH1 3.33Å; D670-R695 PolarHBondContact OD1-NH1 3.14Å; D670-R695 IonicContact OD2-NH1 3.71Å; R695-F722 WeakPolarHBondContact O-CA 3.44Å; R695-C723 WeakPolarHBondContact CB-O 3.06Å; R695-C723 WeakPolarHBondContact CD-O 3.44Å; R695-C723 WeakPolarHBondContact CG-O 3.34Å; R695-C723 PolarHBondContact O-N 2.78Å
696V95.6Very high85.4Confident0 Ų048.4 Ų48.40%026%0.257CS..EExtended strand (participates in β ladder)trans-106.7131.8177.2-176.40000109.1A668 K669 C671 A676 L682 V694 V703 I720 F722A668-V696 CarbonylContact C-O 3.49Å; A668-V696 VanDerWaalsContact CA-O 3.27Å; A668-V696 WeakPolarHBondContact CA-O 3.2Å; K669-V696 PolarHBondContact N-O 3.22Å; K669-V696 PolarHBondContact O-N 3.15Å; C671-V696 HydrophobicContact CB-CG2 4.05Å; A676-V696 HydrophobicContact CB-CG2 3.75Å; L682-V696 HydrophobicContact CD1-CG1 4.23Å; V694-V696 HydrophobicContact CG1-CG2 4.27Å; V696-V703 HydrophobicContact CB-CG1 4.03Å; V696-V703 HydrophobicContact CB-CG2 4.45Å; V696-V703 HydrophobicContact CG1-CG1 4.03Å; V696-V703 HydrophobicContact CG1-CG2 4.23Å; V696-I720 HydrophobicContact CG1-CD1 3.7Å; V696-I720 HydrophobicContact CG1-CG1 3.82Å; V696-F722 HydrophobicContact CG2-CD1 3.97Å; V696-F722 HydrophobicContact CG2-CE1 3.95Å
697V96.9Very high87.4Confident3 Ų343.7 Ų43.72%0.01824%0.238CC..EExtended strand (participates in β ladder)trans-113133.5174.4178.20000109.2V666 Y667 A668 I720 E721 C723V666-V697 HydrophobicContact CG1-CG1 4Å; Y667-V697 CarbonylContact O-C 3.42Å; Y667-V697 WeakPolarHBondContact O-CA 3.05Å; A668-V697 HydrophobicContact CB-CG2 4.18Å; V697-I720 CarbonylContact O-C 3.48Å; V697-I720 VanDerWaalsContact O-CA 3.28Å; V697-I720 WeakPolarHBondContact O-CA 3.49Å; V697-E721 PolarHBondContact N-O 2.67Å; V697-E721 PolarHBondContact O-N 3.33Å; V697-C723 HydrophobicContact CB-CB 4.4Å; V697-C723 HydrophobicContact CG2-CB 3.92Å
698S97Very high89.2Confident0 Ų043.9 Ų43.90%025%0.251CS..EExtended strand (participates in β ladder)trans-136.7137.6178.6177.30000111.6Y667 I701 S719Y667-S698 PolarHBondContact N-O 3.09Å; Y667-S698 PolarHBondContact O-N 3.37Å; S698-I701 VanDerWaalsContact CB-O 3.26Å; S698-I701 WeakPolarHBondContact CB-O 3.45Å; S698-I701 PolarHBondContact OG-O 2.86Å; S698-S719 CarbonylContact C-O 3.51Å; S698-S719 VanDerWaalsContact CA-O 3.25Å; S698-S719 WeakPolarHBondContact CA-O 3.45Å
699I96.8Very high90.5Very high4 Ų444 Ų442%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-108.5101-178.5-52.5179.8000110.6T606 H609 I610 I659 K664 V666 T718 S719T606-I699 HydrophobicContact CG2-CD1 4.06Å; H609-I699 HydrophobicContact CB-CD1 4.09Å; I610-I699 HydrophobicContact CD1-CD1 4.21Å; I610-I699 HydrophobicContact CG1-CD1 3.55Å; I659-I699 HydrophobicContact CG2-CG2 4.26Å; K664-I699 HydrophobicContact CB-CG2 4Å; V666-I699 HydrophobicContact CG1-CG1 4.43Å; V666-I699 HydrophobicContact CG2-CG1 4.32Å; V666-I699 HydrophobicContact CG2-CG2 4.35Å; I699-T718 PolarHBondContact O-OG1 3.32Å; I699-S719 PolarHBondContact N-O 2.85Å
700G95.1Very high91.7Very high27 Ų2741.6 Ų41.628%0.27824%0.24SC..SBendtrans104.2-23.7172.900000115.3T665T665-G700 WeakPolarHBondContact O-CA 3.34Å; T665-G700 PolarHBondContact O-N 3.38Å
701I95.4Very high92.3Very high31 Ų3144.6 Ų44.616%0.15927%0.265CS..SBendtrans-116.6128.1176.3-54.8-175.5000109.2Y667 S698 E705 L706 A714 I717 T718Y667-I701 WeakPolarHBondContact CD2-O 3.34Å; S698-I701 VanDerWaalsContact CB-O 3.26Å; S698-I701 WeakPolarHBondContact CB-O 3.45Å; S698-I701 PolarHBondContact OG-O 2.86Å; I701-E705 HydrophobicContact CG2-CB 4.27Å; I701-L706 HydrophobicContact CB-CD1 4.33Å; I701-L706 HydrophobicContact CB-CG 4.5Å; I701-L706 HydrophobicContact CG2-CD1 4.18Å; I701-L706 HydrophobicContact CG2-CD2 3.93Å; I701-L706 HydrophobicContact CG2-CG 3.84Å; I701-A714 HydrophobicContact CD1-CB 3.94Å; I701-I717 HydrophobicContact CD1-CG1 4.46Å; I701-T718 HydrophobicContact CB-CG2 4.45Å; I701-T718 HydrophobicContact CD1-CG2 4.12Å; I701-T718 HydrophobicContact CG1-CG2 4.45Å
702P96.4Very high92.6Very high25 Ų2541.8 Ų41.816%0.16225%0.248CC..  trans-56.9142.2176.2-23.933.2000112.8Y667 E704 E705 L706Y667-P702 HydrophobicContact CD1-CB 4.34Å; Y667-P702 HydrophobicContact CE1-CB 4.26Å; Y667-P702 HydrophobicContact CE1-CG 4.04Å; Y667-P702 HydrophobicContact CE2-CG 4.12Å; P702-E704 PolarHBondContact O-N 3.35Å; P702-E705 HydrophobicContact CB-CG 4.18Å; P702-E705 HydrophobicContact CG-CG 4.27Å; P702-E705 PolarHBondContact O-N 2.6Å; P702-L706 PolarHBondContact O-N 3.15Å
703V94.9Very high93Very high0 Ų042.3 Ų42.30%026%0.256CS..Hα-helixtrans-63.8-32.6179.3-179.30000110.8K669 V696 E705 L706 L707K669-V703 HydrophobicContact CB-CB 4.07Å; K669-V703 HydrophobicContact CB-CG1 4.15Å; K669-V703 HydrophobicContact CB-CG2 4.22Å; K669-V703 HydrophobicContact CD-CB 4.45Å; K669-V703 HydrophobicContact CD-CG1 4.46Å; V696-V703 HydrophobicContact CB-CG1 4.03Å; V696-V703 HydrophobicContact CB-CG2 4.45Å; V696-V703 HydrophobicContact CG1-CG1 4.03Å; V696-V703 HydrophobicContact CG1-CG2 4.23Å; V703-E705 PolarHBondContact O-N 3.11Å; V703-L706 PolarHBondContact O-N 2.91Å; V703-L707 HydrophobicContact CG1-CD1 4.03Å; V703-L707 HydrophobicContact CG1-CG 4.32Å; V703-L707 WeakPolarHBondContact O-CG 3.26Å; V703-L707 PolarHBondContact O-N 3.34Å
704E94.6Very high92.9Very high93 Ų9339.7 Ų39.744%0.43524%0.241SC..Hα-helixtrans-58.8-42.6175-69.777.5-172.800113.1K669 P702 L706 L707 A708K669-E704 WeakPolarHBondContact CD-OE1 3.44Å; K669-E704 WeakPolarHBondContact CE-OE1 3.31Å; K669-E704 IonicContact NZ-OE1 3.53Å; K669-E704 PolarHBondContact NZ-OE1 3.47Å; P702-E704 PolarHBondContact O-N 3.35Å; E704-L706 VanDerWaalsContact C-N 3.33Å; E704-L707 PolarHBondContact O-N 2.99Å; E704-A708 WeakPolarHBondContact O-CB 3.4Å; E704-A708 PolarHBondContact O-N 3.34Å
705E93.8Very high92.5Very high124 Ų12439.6 Ų39.658%0.57924%0.241SC*.Hα-helixtrans-67.5-39.3179.4-68.5-177.8-165.600110.6I701 P702 V703 L707 A708 D709I701-E705 HydrophobicContact CG2-CB 4.27Å; P702-E705 HydrophobicContact CB-CG 4.18Å; P702-E705 HydrophobicContact CG-CG 4.27Å; P702-E705 PolarHBondContact O-N 2.6Å; V703-E705 PolarHBondContact O-N 3.11Å; E705-L707 VanDerWaalsContact C-N 3.34Å; E705-L707 PolarHBondContact O-N 2.93Å; E705-A708 PolarHBondContact O-N 3.18Å; E705-D709 PolarHBondContact O-N 2.94Å
706L93.1Very high92.2Very high1 Ų139.9 Ų39.91%0.00525%0.249CC..Hα-helixtrans-67.9-34.1177.5-62.7168.5000112.2I679 I701 P702 V703 E704 D709 P710 A714 T718 I720I679-L706 HydrophobicContact CD1-CB 4.05Å; I679-L706 HydrophobicContact CG2-CB 4.18Å; I701-L706 HydrophobicContact CB-CD1 4.33Å; I701-L706 HydrophobicContact CB-CG 4.5Å; I701-L706 HydrophobicContact CG2-CD1 4.18Å; I701-L706 HydrophobicContact CG2-CD2 3.93Å; I701-L706 HydrophobicContact CG2-CG 3.84Å; P702-L706 PolarHBondContact O-N 3.15Å; V703-L706 PolarHBondContact O-N 2.91Å; E704-L706 VanDerWaalsContact C-N 3.33Å; L706-D709 CarbonylContact O-C 3.46Å; L706-P710 WeakPolarHBondContact O-CA 3.32Å; L706-A714 HydrophobicContact CD2-CB 3.56Å; L706-T718 HydrophobicContact CD1-CG2 4.17Å; L706-T718 HydrophobicContact CD2-CG2 4.43Å; L706-I720 HydrophobicContact CB-CD1 4.37Å; L706-I720 HydrophobicContact CD1-CB 4.47Å; L706-I720 HydrophobicContact CD1-CD1 3.43Å; L706-I720 VanDerWaalsContact CD1-CD1 3.43Å; L706-I720 HydrophobicContact CD1-CG1 4.48Å; L706-I720 HydrophobicContact CG-CD1 4.43Å
707L92.3Very high91.9Very high52 Ų5245.4 Ų45.427%0.27228%0.277SS..Hα-helixtrans-74.3-28.2173.9-72.5169.3000113.1C671 A675 I679 V703 E704 E705C671-L707 HydrophobicContact CB-CD1 4.38Å; A675-L707 HydrophobicContact CB-CD2 4.03Å; I679-L707 HydrophobicContact CD1-CD2 3.89Å; I679-L707 HydrophobicContact CD1-CG 4.23Å; I679-L707 HydrophobicContact CG1-CD2 4.42Å; V703-L707 HydrophobicContact CG1-CD1 4.03Å; V703-L707 HydrophobicContact CG1-CG 4.32Å; V703-L707 WeakPolarHBondContact O-CG 3.26Å; V703-L707 PolarHBondContact O-N 3.34Å; E704-L707 PolarHBondContact O-N 2.99Å; E705-L707 VanDerWaalsContact C-N 3.34Å; E705-L707 PolarHBondContact O-N 2.93Å
708A93.3Very high91.6Very high86 Ų8645.7 Ų45.771%0.71128%0.279SS*.Hα-helixtrans-73.7-32.7179.200000112.6E704 E705E704-A708 WeakPolarHBondContact O-CB 3.4Å; E704-A708 PolarHBondContact O-N 3.34Å; E705-A708 PolarHBondContact O-N 3.18Å
709D91.1Very high91.4Very high84 Ų8446 Ų4645%0.44928%0.281SS..  trans-131.976.6172.5-17715.7000111.1E705 L706 S711 G712E705-D709 PolarHBondContact O-N 2.94Å; L706-D709 CarbonylContact O-C 3.46Å; D709-S711 PolarHBondContact O-N 3.14Å; D709-S711 PolarHBondContact OD1-OG 2.87Å; D709-S711 VanDerWaalsContact OD1-OG 3.09Å; D709-G712 PolarHBondContact O-N 3.41Å; D709-G712 PolarHBondContact OD1-N 3.45Å; D709-G712 VanDerWaalsContact OD1-N 3.11Å; D709-G712 VanDerWaalsContact OD2-CA 3.26Å; D709-G712 WeakPolarHBondContact OD2-CA 3.41Å
710P88.6Confident91.3Very high39 Ų3945.9 Ų45.925%0.25328%0.281SS..THydrogen-bonded Turntrans-66.1-24.1-176.626.3-33.7000112.6A678 I679 Q680 L706 G712A678-P710 HydrophobicContact CB-CB 4.02Å; I679-P710 CarbonylContact C-O 3.55Å; I679-P710 WeakPolarHBondContact CA-O 3.01Å; I679-P710 HydrophobicContact CG1-CB 4.23Å; Q680-P710 WeakPolarHBondContact CB-O 3.37Å; Q680-P710 PolarHBondContact N-O 3.12Å; L706-P710 WeakPolarHBondContact O-CA 3.32Å; P710-G712 VanDerWaalsContact C-N 3.33Å
711S88.6Confident91.3Very high89 Ų8945.1 Ų45.162%0.62227%0.27SS*.THydrogen-bonded Turntrans-85.1-3.6174.7480000114.1Q680 D709Q680-S711 PolarHBondContact OE1-O 3.37Å; D709-S711 PolarHBondContact O-N 3.14Å; D709-S711 PolarHBondContact OD1-OG 2.87Å; D709-S711 VanDerWaalsContact OD1-OG 3.09Å
712G86.5Confident91.2Very high5 Ų544.2 Ų44.25%0.05227%0.265CS..SBendtrans-71.5162.4-176.400000113.3D709 P710 A714D709-G712 PolarHBondContact O-N 3.41Å; D709-G712 PolarHBondContact OD1-N 3.45Å; D709-G712 VanDerWaalsContact OD1-N 3.11Å; D709-G712 VanDerWaalsContact OD2-CA 3.26Å; D709-G712 WeakPolarHBondContact OD2-CA 3.41Å; P710-G712 VanDerWaalsContact C-N 3.33Å; G712-A714 PolarHBondContact O-N 3.45Å
713P88.4Confident91Very high96 Ų9643.8 Ų43.862%0.62326%0.262SS*.THydrogen-bonded Turntrans-70.6-15.5179.230.2-35.7000113.2G715 S716 I717P713-G715 PolarHBondContact O-N 3.24Å; P713-S716 WeakPolarHBondContact O-CB 3.35Å; P713-S716 PolarHBondContact O-N 3.47Å; P713-I717 PolarHBondContact O-N 3.34Å
714A88.3Confident90.9Very high30 Ų3045.3 Ų45.325%0.24828%0.278CS..Hα-helixtrans-55.4-45.2-172.400000113I701 L706 G712 S716 I717 T718I701-A714 HydrophobicContact CD1-CB 3.94Å; L706-A714 HydrophobicContact CD2-CB 3.56Å; G712-A714 PolarHBondContact O-N 3.45Å; A714-S716 PolarHBondContact O-N 2.73Å; A714-I717 VanDerWaalsContact O-CG1 3.28Å; A714-I717 WeakPolarHBondContact O-CG1 3.27Å; A714-I717 PolarHBondContact O-N 3.3Å; A714-T718 VanDerWaalsContact O-CG2 3.3Å; A714-T718 WeakPolarHBondContact O-CG2 3.28Å; A714-T718 PolarHBondContact O-N 3.25Å
715G83.4Confident90.9Very high1 Ų140.9 Ų40.91%0.0126%0.258CS..Hα-helixtrans-67.5-19.1178.900000114Q680 G681 P713 I720Q680-G715 CarbonylContact O-C 3.53Å; Q680-G715 WeakPolarHBondContact O-CA 3.46Å; G681-G715 CarbonylContact C-O 3.57Å; G681-G715 WeakPolarHBondContact CA-O 3.25Å; P713-G715 PolarHBondContact O-N 3.24Å; G715-I720 WeakPolarHBondContact O-CG2 3.26Å
716S85.8Confident91.1Very high48 Ų4835 Ų3534%0.33623%0.23SC..Hα-helixtrans-87.1-17177.7-620000113.7Q680 P713 A714Q680-S716 PolarHBondContact O-N 3.44Å; P713-S716 WeakPolarHBondContact O-CB 3.35Å; P713-S716 PolarHBondContact O-N 3.47Å; A714-S716 PolarHBondContact O-N 2.73Å
717I89Confident91.3Very high115 Ų11535.3 Ų35.359%0.5923%0.231SC*.Hα-helixtrans-109.22.9-178.964.1169.2000113.2F613 I701 P713 A714F613-I717 WeakPolarHBondContact CZ-O 3.49Å; I701-I717 HydrophobicContact CD1-CG1 4.46Å; P713-I717 PolarHBondContact O-N 3.34Å; A714-I717 VanDerWaalsContact O-CG1 3.28Å; A714-I717 WeakPolarHBondContact O-CG1 3.27Å; A714-I717 PolarHBondContact O-N 3.3Å
718T90.8Very high91.5Very high9 Ų932.9 Ų32.96%0.05522%0.219CC..SBendtrans-120.9156.5175.7-1670000110.3F613 I699 I701 L706 A714 I720F613-T718 WeakPolarHBondContact CD2-O 3.42Å; I699-T718 PolarHBondContact O-OG1 3.32Å; I701-T718 HydrophobicContact CB-CG2 4.45Å; I701-T718 HydrophobicContact CD1-CG2 4.12Å; I701-T718 HydrophobicContact CG1-CG2 4.45Å; L706-T718 HydrophobicContact CD1-CG2 4.17Å; L706-T718 HydrophobicContact CD2-CG2 4.43Å; A714-T718 VanDerWaalsContact O-CG2 3.3Å; A714-T718 WeakPolarHBondContact O-CG2 3.28Å; A714-T718 PolarHBondContact O-N 3.25Å; T718-I720 HydrophobicContact CG2-CB 4.1Å; T718-I720 HydrophobicContact CG2-CG2 3.83Å; T718-I720 PolarHBondContact O-N 3.02Å
719S93.8Very high91.7Very high7 Ų732.1 Ų32.15%0.04920%0.2CC..EExtended strand (participates in β ladder)trans-76.4112.1165.9-176.10000107.8H609 S698 I699H609-S719 PolarHBondContact O-OG 2.85Å; S698-S719 CarbonylContact C-O 3.51Å; S698-S719 VanDerWaalsContact CA-O 3.25Å; S698-S719 WeakPolarHBondContact CA-O 3.45Å; I699-S719 PolarHBondContact N-O 2.85Å
720I94.3Very high92Very high1 Ų129.5 Ų29.51%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-136.6124.5176.1171.3159.9000111.1I679 L682 R683 V696 V697 L706 G715 T718I679-I720 HydrophobicContact CD1-CD1 3.94Å; I679-I720 HydrophobicContact CG2-CD1 4.05Å; L682-I720 HydrophobicContact CB-CG1 4.33Å; L682-I720 HydrophobicContact CD1-CD1 4.03Å; L682-I720 HydrophobicContact CD1-CG1 3.94Å; L682-I720 HydrophobicContact CG-CG1 4.16Å; R683-I720 PolarHBondContact N-O 3.17Å; V696-I720 HydrophobicContact CG1-CD1 3.7Å; V696-I720 HydrophobicContact CG1-CG1 3.82Å; V697-I720 CarbonylContact O-C 3.48Å; V697-I720 VanDerWaalsContact O-CA 3.28Å; V697-I720 WeakPolarHBondContact O-CA 3.49Å; L706-I720 HydrophobicContact CB-CD1 4.37Å; L706-I720 HydrophobicContact CD1-CB 4.47Å; L706-I720 HydrophobicContact CD1-CD1 3.43Å; L706-I720 VanDerWaalsContact CD1-CD1 3.43Å; L706-I720 HydrophobicContact CD1-CG1 4.48Å; L706-I720 HydrophobicContact CG-CD1 4.43Å; G715-I720 WeakPolarHBondContact O-CG2 3.26Å; T718-I720 HydrophobicContact CG2-CB 4.1Å; T718-I720 HydrophobicContact CG2-CG2 3.83Å; T718-I720 PolarHBondContact O-N 3.02Å
721E94.2Very high92.4Very high12 Ų1227.6 Ų27.66%0.05617%0.174CC..EExtended strand (participates in β ladder)trans-145.6154.9-174.7-43.5-165.8-170.700112.5H609 N612 R683 V697H609-E721 IonicContact CE1-OE2 2.56Å; H609-E721 PolarHBondContact CE1-OE2 2.97Å; H609-E721 VanDerWaalsContact CE1-OE2 3.27Å; H609-E721 IonicContact ND1-OE1 3.88Å; H609-E721 PolarHBondContact ND1-OE1 2.9Å; H609-E721 IonicContact ND1-OE2 2.91Å; H609-E721 PolarHBondContact ND1-OE2 3.12Å; N612-E721 PolarHBondContact ND2-OE1 3.4Å; R683-E721 HydrophobicContact CB-CB 4.29Å; R683-E721 HydrophobicContact CB-CG 3.86Å; R683-E721 HydrophobicContact CG-CG 4.25Å; R683-E721 CarbonylContact O-C 3.4Å; R683-E721 VanDerWaalsContact O-CA 3.24Å; R683-E721 WeakPolarHBondContact O-CA 3.18Å; V697-E721 PolarHBondContact N-O 2.67Å; V697-E721 PolarHBondContact O-N 3.33Å
722F93.4Very high92.7Very high12 Ų1225.7 Ų25.75%0.05316%0.161CC..EExtended strand (participates in β ladder)trans-73.5121.2160.9-64-31.1000109.5L673 A676 K677 L682 R683 A684 Y690 V694 R695 V696L673-F722 HydrophobicContact CD1-CE2 4.05Å; L673-F722 HydrophobicContact CD1-CZ 4.02Å; A676-F722 HydrophobicContact CB-CE1 3.59Å; A676-F722 HydrophobicContact CB-CZ 4.06Å; K677-F722 HydrophobicContact CG-CE2 3.91Å; K677-F722 HydrophobicContact CG-CZ 3.76Å; L682-F722 HydrophobicContact CD1-CD1 3.92Å; L682-F722 HydrophobicContact CD1-CE1 3.44Å; L682-F722 VanDerWaalsContact CD1-CE1 3.44Å; L682-F722 HydrophobicContact CD1-CZ 3.98Å; L682-F722 HydrophobicContact CD2-CD1 4.08Å; L682-F722 HydrophobicContact CD2-CD2 4.05Å; L682-F722 HydrophobicContact CD2-CE1 3.71Å; L682-F722 HydrophobicContact CD2-CE2 3.69Å; L682-F722 HydrophobicContact CD2-CG 4.22Å; L682-F722 HydrophobicContact CD2-CZ 3.5Å; L682-F722 VanDerWaalsContact CD2-CZ 3.5Å; L682-F722 HydrophobicContact CG-CD1 4.5Å; L682-F722 HydrophobicContact CG-CE1 4.2Å; L682-F722 HydrophobicContact CG-CZ 4.41Å; R683-F722 PolarHBondContact O-N 3.49Å; A684-F722 HydrophobicContact CB-CD2 3.52Å; A684-F722 HydrophobicContact CB-CE2 3.87Å; A684-F722 HydrophobicContact CB-CG 4.47Å; Y690-F722 HydrophobicContact CD1-CB 3.56Å; Y690-F722 AromaticContact CD1-CD2 3.89Å; Y690-F722 HydrophobicContact CD1-CD2 3.89Å; Y690-F722 HydrophobicContact CD1-CG 4.03Å; Y690-F722 AromaticContact CD2-CD2 3.53Å; Y690-F722 HydrophobicContact CD2-CD2 3.53Å; Y690-F722 HydrophobicContact CD2-CE2 4.11Å; Y690-F722 HydrophobicContact CD2-CG 4.46Å; Y690-F722 HydrophobicContact CE1-CB 3.36Å; Y690-F722 HydrophobicContact CE1-CD2 4.04Å; Y690-F722 HydrophobicContact CE1-CG 4.15Å; Y690-F722 HydrophobicContact CE2-CB 4.48Å; Y690-F722 AromaticContact CE2-CD2 3.68Å; Y690-F722 HydrophobicContact CE2-CD2 3.68Å; Y690-F722 HydrophobicContact CE2-CE2 4.48Å; Y690-F722 HydrophobicContact CG-CB 4.22Å; Y690-F722 AromaticContact CG-CD2 3.65Å; Y690-F722 HydrophobicContact CG-CD2 3.65Å; Y690-F722 HydrophobicContact CG-CE2 4.37Å; Y690-F722 HydrophobicContact CG-CG 4.2Å; Y690-F722 AromaticContact CZ-CD2 3.93Å; V694-F722 HydrophobicContact CB-CD1 4.5Å; V694-F722 HydrophobicContact CG1-CD1 4Å; V694-F722 HydrophobicContact CG1-CE1 3.68Å; V694-F722 HydrophobicContact CG1-CZ 4.24Å; V694-F722 HydrophobicContact CG2-CB 4.1Å; V694-F722 HydrophobicContact CG2-CD1 3.62Å; V694-F722 HydrophobicContact CG2-CD2 4.32Å; V694-F722 HydrophobicContact CG2-CE1 4.08Å; V694-F722 HydrophobicContact CG2-CG 3.76Å; R695-F722 WeakPolarHBondContact O-CA 3.44Å; V696-F722 HydrophobicContact CG2-CD1 3.97Å; V696-F722 HydrophobicContact CG2-CE1 3.95Å
723C93.7Very high93.2Very high15 Ų1526.5 Ų26.510%0.10116%0.163CC..  trans-153.7126.4-179.6-168.70000112.2H605 R695 V697 G725 H727H605-C723 VanDerWaalsContact CE1-SG 3.59Å; H605-C723 PolarHBondContact NE2-SG 2.89Å; H605-C723 VanDerWaalsContact NE2-SG 3.36Å; R695-C723 WeakPolarHBondContact CB-O 3.06Å; R695-C723 WeakPolarHBondContact CD-O 3.44Å; R695-C723 WeakPolarHBondContact CG-O 3.34Å; R695-C723 PolarHBondContact O-N 2.78Å; V697-C723 HydrophobicContact CB-CB 4.4Å; V697-C723 HydrophobicContact CG2-CB 3.92Å; C723-G725 PolarHBondContact SG-N 3.04Å; C723-H727 PolarHBondContact SG-NE2 3.34Å
724G92.5Very high93.5Very high32 Ų3222 Ų2233%0.3313%0.134SC..  trans-89.55172.500000114Y487 Y535Y487-G724 WeakPolarHBondContact CE1-O 3.46Å; Y487-G724 PolarHBondContact OH-O 3.21Å; Y535-G724 WeakPolarHBondContact CE2-O 3.41Å
725G94.5Very high93.8Very high1 Ų121.1 Ų21.11%0.0113%0.128CC..SBendtrans-73.3171.9-176.100000115.7Y487 H605 C723 H727Y487-G725 WeakPolarHBondContact CE1-O 3.38Å; H605-G725 VanDerWaalsContact CE1-CA 3.46Å; H605-G725 WeakPolarHBondContact CE1-CA 3.29Å; C723-G725 PolarHBondContact SG-N 3.04Å; G725-H727 PolarHBondContact O-CD2 2.97Å; G725-H727 VanDerWaalsContact O-CD2 3.31Å
726T97.1Very high94.4Very high0 Ų022.6 Ų22.60%014%0.137CC..  trans-91.5136.2167.256.90000110.5Y487 Y489 Y535 Q541 M602Y487-T726 HydrophobicContact CD1-CG2 4.37Å; Y487-T726 HydrophobicContact CE1-CG2 4.48Å; Y489-T726 HydrophobicContact CE1-CG2 4.25Å; Y535-T726 HydrophobicContact CD2-CG2 3.97Å; Q541-T726 PolarHBondContact NE2-OG1 2.78Å; Q541-T726 PolarHBondContact OE1-OG1 2.96Å; M602-T726 WeakPolarHBondContact CG-OG1 3.44Å
727H97.3Very high94.9Very high7 Ų720.3 Ų20.33%0.03212%0.121CC..  trans-131.7155.5-171.2-65.6-70.6000112Y489 M602 H605 H609 V666 C723 G725Y489-H727 VanDerWaalsContact CE2-O 3.25Å; Y489-H727 WeakPolarHBondContact CE2-O 3.24Å; Y489-H727 PolarHBondContact OH-N 3.44Å; Y489-H727 PolarHBondContact OH-O 2.67Å; Y489-H727 VanDerWaalsContact OH-O 3.11Å; M602-H727 WeakPolarHBondContact CE-O 3.28Å; H605-H727 AromaticContact CD2-CE1 3.46Å; H605-H727 PolarHBondContact CD2-CE1 2.94Å; H605-H727 VanDerWaalsContact CD2-CE1 3.46Å; H605-H727 AromaticContact CE1-CE1 3.89Å; H605-H727 AromaticContact CG-CE1 3.51Å; H605-H727 AromaticContact CG-ND1 3.98Å; H605-H727 AromaticContact ND1-CE1 3.75Å; H605-H727 AromaticContact NE2-CE1 3.72Å; H609-H727 AromaticContact CD2-CE1 3.32Å; H609-H727 PolarHBondContact CD2-CE1 3.31Å; H609-H727 AromaticContact CD2-ND1 3.71Å; H609-H727 AromaticContact NE2-CE1 3Å; H609-H727 PolarHBondContact NE2-CE1 2.71Å; H609-H727 AromaticContact NE2-ND1 3.86Å; H609-H727 AromaticContact NE2-NE2 3.69Å; V666-H727 HydrophobicContact CG1-CB 4.15Å; C723-H727 PolarHBondContact SG-NE2 3.34Å; G725-H727 PolarHBondContact O-CD2 2.97Å; G725-H727 VanDerWaalsContact O-CD2 3.31Å
728L97.6Very high95.4Very high2 Ų214.9 Ų14.91%0.019%0.094CC..  trans-63.8156.3167.4-58.8175.9000110.3Y497 R599 M602 T606 V666 H733 A734Y497-L728 HydrophobicContact CE2-CD2 4.05Å; Y497-L728 WeakPolarHBondContact OH-CA 3.48Å; Y497-L728 VanDerWaalsContact OH-CB 3.3Å; Y497-L728 WeakPolarHBondContact OH-CB 3.26Å; Y497-L728 WeakPolarHBondContact OH-CD2 3.49Å; R599-L728 VanDerWaalsContact CZ-CD2 3.5Å; M602-L728 HydrophobicContact CB-CD2 3.91Å; M602-L728 HydrophobicContact CB-CG 4.37Å; T606-L728 HydrophobicContact CG2-CB 4.3Å; T606-L728 HydrophobicContact CG2-CD1 4.4Å; T606-L728 WeakPolarHBondContact OG1-CG 3.34Å; T606-L728 PolarHBondContact OG1-N 3.34Å; V666-L728 WeakPolarHBondContact CB-O 3.43Å; V666-L728 VanDerWaalsContact CG1-O 3.27Å; V666-L728 WeakPolarHBondContact CG1-O 3.42Å; V666-L728 WeakPolarHBondContact CG2-O 3.36Å; L728-H733 HydrophobicContact CB-CB 4.4Å; L728-H733 HydrophobicContact CD1-CB 3.96Å; L728-H733 HydrophobicContact CD2-CB 4.22Å; L728-H733 HydrophobicContact CG-CB 4.43Å; L728-A734 VanDerWaalsContact CD1-CA 3.49Å; L728-A734 HydrophobicContact CD1-CB 3.79Å
729Q96.6Very high95.8Very high69 Ų6914.5 Ų14.532%0.3229%0.091SC..SBendtrans-86.5-16.7171.7-66.9-173.7-32.700112.8Y489 S491 Y497 V666Y489-Q729 PolarHBondContact O-NE2 3.1Å; S491-Q729 PolarHBondContact OG-OE1 3.2Å; Y497-Q729 HydrophobicContact CE1-CG 4.22Å; Y497-Q729 PolarHBondContact OH-N 3.28Å; V666-Q729 PolarHBondContact N-O 2.66Å
730N97.3Very high95.9Very high29 Ų2915 Ų1516%0.1559%0.094CC..BIsolated β-bridgetrans-142.3136.9177.9-168.6-75.7000110.2A663 K664 S732 H733A663-N730 VanDerWaalsContact CA-OD1 3.26Å; A663-N730 WeakPolarHBondContact CA-OD1 3.16Å; A663-N730 PolarHBondContact O-ND2 3.04Å; A663-N730 PolarHBondContact O-OD1 3.49Å; K664-N730 CarbonylContact O-C 3.56Å; K664-N730 WeakPolarHBondContact O-CA 3.34Å; N730-S732 VanDerWaalsContact C-N 3.27Å; N730-S732 PolarHBondContact O-N 3.48Å; N730-S732 WeakPolarHBondContact OD1-CB 3.33Å; N730-S732 PolarHBondContact OD1-N 2.54Å; N730-S732 PolarHBondContact OD1-OG 3.27Å; N730-H733 VanDerWaalsContact O-CB 3.28Å; N730-H733 WeakPolarHBondContact O-CB 3.47Å; N730-H733 PolarHBondContact O-N 3.39Å; N730-H733 VanDerWaalsContact O-N 3.16Å
731S96.8Very high96Very high0 Ų016.5 Ų16.50%011%0.105CC..G310 helixtrans-61.4-34.2-177.864.20000112.7I659 K664 H733 A734I659-S731 WeakPolarHBondContact O-CB 2.92Å; I659-S731 PolarHBondContact O-OG 2.78Å; K664-S731 PolarHBondContact N-OG 2.83Å; K664-S731 PolarHBondContact O-N 3.25Å; K664-S731 PolarHBondContact O-OG 3.2Å; S731-H733 PolarHBondContact O-N 2.95Å; S731-A734 VanDerWaalsContact O-CB 3.26Å; S731-A734 WeakPolarHBondContact O-CB 3.24Å; S731-A734 PolarHBondContact O-N 3.17Å
732S96.6Very high96Very high48 Ų4817.4 Ų17.434%0.33611%0.109SC..G310 helixtrans-64.1-24.3179.668.40000113I660 N730 A734 G735I660-S732 WeakPolarHBondContact O-CA 3.3Å; I660-S732 VanDerWaalsContact O-CB 3.32Å; I660-S732 WeakPolarHBondContact O-CB 3.48Å; I660-S732 PolarHBondContact O-N 2.99Å; N730-S732 VanDerWaalsContact C-N 3.27Å; N730-S732 PolarHBondContact O-N 3.48Å; N730-S732 WeakPolarHBondContact OD1-CB 3.33Å; N730-S732 PolarHBondContact OD1-N 2.54Å; N730-S732 PolarHBondContact OD1-OG 3.27Å; S732-A734 PolarHBondContact O-N 2.87Å; S732-A734 VanDerWaalsContact O-N 3.16Å; S732-G735 PolarHBondContact O-N 2.87Å; S732-G735 VanDerWaalsContact O-N 3.08Å
733H96Very high95.8Very high23 Ų2321.4 Ų21.411%0.10613%0.128CC..G310 helixtrans-64.9-18.2176.5-62.6177.5000111.4S491 Y497 R599 L728 N730 S731 G735S491-H733 PolarHBondContact OG-CE1 2.87Å; Y497-H733 HydrophobicContact CE2-CB 4.37Å; Y497-H733 AromaticContact CE2-ND1 3.67Å; Y497-H733 AromaticContact CZ-ND1 3.74Å; Y497-H733 PolarHBondContact OH-ND1 3.05Å; Y497-H733 VanDerWaalsContact OH-ND1 3.09Å; R599-H733 PolarHBondContact NH1-O 3.24Å; R599-H733 PolarHBondContact NH2-O 2.68Å; L728-H733 HydrophobicContact CB-CB 4.4Å; L728-H733 HydrophobicContact CD1-CB 3.96Å; L728-H733 HydrophobicContact CD2-CB 4.22Å; L728-H733 HydrophobicContact CG-CB 4.43Å; N730-H733 VanDerWaalsContact O-CB 3.28Å; N730-H733 WeakPolarHBondContact O-CB 3.47Å; N730-H733 PolarHBondContact O-N 3.39Å; N730-H733 VanDerWaalsContact O-N 3.16Å; S731-H733 PolarHBondContact O-N 2.95Å; H733-G735 PolarHBondContact O-N 3.41Å
734A95.4Very high95.3Very high1 Ų124 Ų241%0.00815%0.15CC..G310 helixtrans-62.6-28.9174.300000112I660 L728 S731 S732 G757I660-A734 HydrophobicContact CD1-CB 4.12Å; I660-A734 HydrophobicContact CG1-CB 4.25Å; I660-A734 HydrophobicContact CG2-CB 4.47Å; L728-A734 VanDerWaalsContact CD1-CA 3.49Å; L728-A734 HydrophobicContact CD1-CB 3.79Å; S731-A734 VanDerWaalsContact O-CB 3.26Å; S731-A734 WeakPolarHBondContact O-CB 3.24Å; S731-A734 PolarHBondContact O-N 3.17Å; S732-A734 PolarHBondContact O-N 2.87Å; S732-A734 VanDerWaalsContact O-N 3.16Å; A734-G757 WeakPolarHBondContact O-CA 3.42Å; A734-G757 PolarHBondContact O-N 2.79Å; A734-G757 VanDerWaalsContact O-N 3.15Å
735G93.3Very high94.4Very high12 Ų1226 Ų2612%0.12415%0.153CC..  trans68.5-169.3-168.200000111.7I660 S732 H733I660-G735 WeakPolarHBondContact CG2-O 3.28Å; S732-G735 PolarHBondContact O-N 2.87Å; S732-G735 VanDerWaalsContact O-N 3.08Å; H733-G735 PolarHBondContact O-N 3.41Å
736P95.6Very high93.3Very high31 Ų3127.1 Ų27.120%0.20116%0.161CC..  trans-61.1148.4-176.324.5-31.8000111.3S756 G757 A760 R761 L764P736-S756 CarbonylContact O-C 3.59Å; P736-S756 WeakPolarHBondContact O-CA 3.48Å; P736-G757 PolarHBondContact O-N 3.06Å; P736-A760 HydrophobicContact CB-CB 4.13Å; P736-A760 HydrophobicContact CG-CB 4.01Å; P736-A760 WeakPolarHBondContact O-CB 3.27Å; P736-R761 HydrophobicContact CG-CG 3.52Å; P736-L764 HydrophobicContact CB-CD1 4.11Å
737F98.2Very high91.5Very high1 Ų129.3 Ų29.30%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-121.4136179.7172-93000110.6A607 L611 L634 E653 A656 N657 I660 I739 A754A607-F737 HydrophobicContact CB-CD2 3.88Å; A607-F737 HydrophobicContact CB-CE2 4.16Å; L611-F737 HydrophobicContact CB-CZ 4.17Å; L611-F737 HydrophobicContact CD1-CE1 4.41Å; L611-F737 HydrophobicContact CD1-CZ 4.04Å; L611-F737 HydrophobicContact CD2-CZ 4.24Å; L611-F737 HydrophobicContact CG-CZ 4.37Å; L634-F737 HydrophobicContact CD2-CE2 4.13Å; E653-F737 HydrophobicContact CG-CD1 4.33Å; A656-F737 HydrophobicContact CB-CD1 3.67Å; A656-F737 HydrophobicContact CB-CE1 3.85Å; A656-F737 HydrophobicContact CB-CG 4.4Å; N657-F737 PolarHBondContact ND2-O 3.35Å; N657-F737 PolarHBondContact OD1-N 3.06Å; N657-F737 PolarHBondContact OD1-O 2.91Å; I660-F737 HydrophobicContact CD1-CB 3.61Å; F737-I739 HydrophobicContact CE1-CD1 4.3Å; F737-I739 HydrophobicContact CE1-CG1 3.68Å; F737-I739 HydrophobicContact CZ-CG1 4.01Å; F737-A754 HydrophobicContact CD2-CB 4.39Å; F737-A754 HydrophobicContact CE1-CB 4.41Å; F737-A754 HydrophobicContact CE2-CB 3.42Å; F737-A754 VanDerWaalsContact CE2-CB 3.42Å; F737-A754 HydrophobicContact CZ-CB 3.42Å; F737-A754 VanDerWaalsContact CZ-CB 3.42Å
738V98.3Very high90.6Very high1 Ų130.7 Ų30.71%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-137.6128.1-177.41700000110.8E653 V740 A754 V755 A760 A763 L764 P808E653-V738 WeakPolarHBondContact OE2-CA 3.44Å; V738-V740 HydrophobicContact CG1-CG1 3.88Å; V738-A754 CarbonylContact O-C 3.58Å; V738-A754 WeakPolarHBondContact O-CA 3.25Å; V738-A754 VanDerWaalsContact O-CB 3.27Å; V738-A754 WeakPolarHBondContact O-CB 3.34Å; V738-V755 HydrophobicContact CB-CG2 4.05Å; V738-V755 PolarHBondContact N-O 3.36Å; V738-V755 PolarHBondContact O-N 2.64Å; V738-A760 HydrophobicContact CB-CB 4.32Å; V738-A760 HydrophobicContact CG2-CB 3.97Å; V738-A763 HydrophobicContact CG1-CB 4.38Å; V738-L764 HydrophobicContact CG2-CD1 4.46Å; V738-L764 HydrophobicContact CG2-CD2 4.14Å; V738-L764 HydrophobicContact CG2-CG 4.07Å; V738-P808 HydrophobicContact CB-CG 4.39Å; V738-P808 HydrophobicContact CG1-CB 3.8Å; V738-P808 HydrophobicContact CG1-CG 3.47Å; V738-P808 VanDerWaalsContact CG1-CG 3.47Å; V738-P808 HydrophobicContact CG2-CG 4Å
739I98.6Very high89.9Confident0 Ų032.4 Ų32.40%020%0.196CC..EExtended strand (participates in β ladder)trans-82.1111.7168-62.2176000108L611 I649 V652 E653 F737 I752 A754 P808 Q809L611-I739 HydrophobicContact CD1-CD1 4.23Å; I649-I739 HydrophobicContact CG2-CB 4.28Å; I649-I739 HydrophobicContact CG2-CD1 4.24Å; I649-I739 HydrophobicContact CG2-CG2 4.03Å; V652-I739 HydrophobicContact CB-CD1 4.25Å; V652-I739 HydrophobicContact CG1-CD1 3.86Å; E653-I739 HydrophobicContact CB-CD1 4.09Å; E653-I739 HydrophobicContact CB-CG1 4.35Å; E653-I739 PolarHBondContact OE2-N 2.95Å; F737-I739 HydrophobicContact CE1-CD1 4.3Å; F737-I739 HydrophobicContact CE1-CG1 3.68Å; F737-I739 HydrophobicContact CZ-CG1 4.01Å; I739-I752 HydrophobicContact CD1-CD1 4.35Å; I739-I752 HydrophobicContact CG1-CG2 4.23Å; I739-I752 HydrophobicContact CG2-CG1 4.35Å; I739-I752 HydrophobicContact CG2-CG2 3.96Å; I739-A754 HydrophobicContact CG1-CB 4.44Å; I739-P808 CarbonylContact O-C 3.46Å; I739-P808 WeakPolarHBondContact O-CA 3.38Å; I739-Q809 HydrophobicContact CG2-CB 4.45Å; I739-Q809 WeakPolarHBondContact O-CB 3.22Å; I739-Q809 PolarHBondContact O-N 2.82Å
740V97.1Very high89.7Confident17 Ų1729.9 Ų29.910%0.10318%0.183CC..EExtended strand (participates in β ladder)trans-92.9-25.8-174.6-64.30000113.4V738 V753 V755 I806V738-V740 HydrophobicContact CG1-CG1 3.88Å; V740-V753 HydrophobicContact CG2-CB 3.94Å; V740-V753 HydrophobicContact CG2-CG1 3.74Å; V740-V753 WeakPolarHBondContact CG2-O 3.39Å; V740-V753 PolarHBondContact N-O 2.95Å; V740-V755 HydrophobicContact CG1-CG1 4.21Å; V740-V755 HydrophobicContact CG1-CG2 3.74Å; V740-I806 HydrophobicContact CB-CG2 4.03Å; V740-I806 HydrophobicContact CG1-CG2 3.64Å
741S95.4Very high89.5Confident34 Ų3430.9 Ų30.924%0.23819%0.185CC..EExtended strand (participates in β ladder)trans-155.4156.917568.30000111.6I752 V753S741-I752 WeakPolarHBondContact O-CA 3.41Å; S741-V753 PolarHBondContact N-O 3.29Å; S741-V753 PolarHBondContact O-N 3.27Å; S741-V753 WeakPolarHBondContact OG-CB 3.22Å
742E95Very high89.6Confident30 Ų3030.9 Ų30.914%0.1419%0.185CC..EExtended strand (participates in β ladder)trans-143.7123.5178.8-165-59.7123.400106.8I649 R750 R751 I752 Q809I649-E742 HydrophobicContact CD1-CB 3.86Å; I649-E742 HydrophobicContact CD1-CG 4.03Å; I649-E742 HydrophobicContact CG1-CG 4.44Å; E742-R750 IonicContact OE1-CZ 3.31Å; E742-R750 IonicContact OE1-NE 2.62Å; E742-R750 IonicContact OE1-NH1 3.19Å; E742-R750 PolarHBondContact OE1-NH1 2.75Å; E742-R750 IonicContact OE1-NH2 3.98Å; E742-R750 PolarHBondContact OE1-NH2 3.26Å; E742-R750 IonicContact OE2-CZ 2.8Å; E742-R750 IonicContact OE2-NH1 3.41Å; E742-R750 PolarHBondContact OE2-NH1 2.78Å; E742-R750 IonicContact OE2-NH2 3.05Å; E742-R750 PolarHBondContact OE2-NH2 3.26Å; E742-R751 CarbonylContact C-O 3.6Å; E742-R751 VanDerWaalsContact CA-O 3.29Å; E742-R751 WeakPolarHBondContact CA-O 3.35Å; E742-I752 HydrophobicContact CB-CG1 4.43Å; E742-I752 HydrophobicContact CG-CG1 3.91Å; E742-Q809 HydrophobicContact CB-CG 4.47Å
743E88.9Confident89.6Confident97 Ų9729.9 Ų29.945%0.45318%0.177SC..EExtended strand (participates in β ladder)trans-147.3157.6-174.765-174.8-175.600113.4R750 R751E743-R750 CarbonylContact O-C 3.58Å; E743-R750 WeakPolarHBondContact O-CA 3.47Å; E743-R751 HydrophobicContact CG-CB 3.97Å; E743-R751 HydrophobicContact CG-CG 4.42Å; E743-R751 PolarHBondContact N-O 2.96Å; E743-R751 PolarHBondContact O-N 3.35Å
744A84.1Confident89.7Confident70 Ų7028.8 Ų28.858%0.57917%0.172SC*.EExtended strand (participates in β ladder)trans-85.2127.6171.200000110.1
745I73.6Confident89.7Confident74 Ų7429.2 Ų29.238%0.37917%0.174SC..EExtended strand (participates in β ladder)trans-90.2-49.8171.3-53.8171.8000109.7D637 I749 R751D637-I745 HydrophobicContact CB-CD1 4.04Å; D637-I745 VanDerWaalsContact CG-CD1 3.41Å; D637-I745 WeakPolarHBondContact OD2-CD1 3.47Å; I745-I749 HydrophobicContact CD1-CG2 4.25Å; I745-I749 PolarHBondContact N-O 2.89Å; I745-I749 VanDerWaalsContact N-O 3.13Å; I745-R751 HydrophobicContact CD1-CB 3.81Å; I745-R751 VanDerWaalsContact CD1-NH2 3.32Å; I745-R751 HydrophobicContact CG1-CB 3.7Å
746A69.6Low89.9Confident23 Ų2329 Ų2919%0.1917%0.171CC..EExtended strand (participates in β ladder)trans-147.7169.4-176.200000108.6G748 I749A746-G748 PolarHBondContact O-N 3.05Å; A746-I749 HydrophobicContact CB-CB 4.38Å; A746-I749 PolarHBondContact N-O 2.87Å; A746-I749 PolarHBondContact O-N 3.39Å
747K61Low89.8Confident47 Ų4728 Ų2820%0.20417%0.166CC..THydrogen-bonded Turntrans-62.8122.5-179.5-178.2166.8160.4169.60111.1E377 E378 I749E377-K747 VanDerWaalsContact CB-NZ 3.26Å; E377-K747 VanDerWaalsContact CG-NZ 3.27Å; E377-K747 WeakPolarHBondContact OE1-CE 3.17Å; E377-K747 IonicContact OE1-NZ 2.75Å; E377-K747 PolarHBondContact OE1-NZ 3.09Å; E377-K747 WeakPolarHBondContact OE2-CE 3.36Å; E377-K747 IonicContact OE2-NZ 2.73Å; E377-K747 PolarHBondContact OE2-NZ 3.41Å; E378-K747 IonicContact OE1-NZ 3.37Å; E378-K747 PolarHBondContact OE1-NZ 3.19Å; K747-I749 VanDerWaalsContact C-N 3.26Å; K747-I749 PolarHBondContact O-N 2.84Å
748G76.8Confident89.3Confident36 Ų3630.7 Ų30.737%0.37119%0.188SC..THydrogen-bonded Turntrans77.60.8-175.200000115.2T639 A640 A746T639-G748 VanDerWaalsContact CA-O 3.3Å; T639-G748 WeakPolarHBondContact CA-O 3.29Å; A640-G748 PolarHBondContact N-O 2.91Å; A640-G748 CarbonylContact O-C 3.54Å; A640-G748 WeakPolarHBondContact O-CA 3.31Å; A746-G748 PolarHBondContact O-N 3.05Å
749I83.8Confident88.9Confident37 Ų3733.9 Ų33.919%0.1920%0.203CC..EExtended strand (participates in β ladder)trans-122.9125.3-179.5-55178.3000110.3R625 D637 F638 I745 A746 K747R625-I749 HydrophobicContact CB-CG2 4.31Å; R625-I749 HydrophobicContact CG-CD1 4.42Å; D637-I749 HydrophobicContact CB-CG2 4.47Å; F638-I749 WeakPolarHBondContact O-CA 3.36Å; I745-I749 HydrophobicContact CD1-CG2 4.25Å; I745-I749 PolarHBondContact N-O 2.89Å; I745-I749 VanDerWaalsContact N-O 3.13Å; A746-I749 HydrophobicContact CB-CB 4.38Å; A746-I749 PolarHBondContact N-O 2.87Å; A746-I749 PolarHBondContact O-N 3.39Å; K747-I749 VanDerWaalsContact C-N 3.26Å; K747-I749 PolarHBondContact O-N 2.84Å
750R91.7Very high88.8Confident17 Ų1733.9 Ų33.96%0.06420%0.203CC..EExtended strand (participates in β ladder)trans-123150-171.3-57.2-83.4-84.9125.527.5108.8D637 F638 A640 G642 E742 E743D637-R750 CarbonylContact C-O 3.55Å; D637-R750 VanDerWaalsContact CA-O 3.29Å; D637-R750 WeakPolarHBondContact CA-O 3.26Å; F638-R750 HydrophobicContact CD1-CB 4.37Å; F638-R750 WeakPolarHBondContact CD1-O 3.47Å; F638-R750 HydrophobicContact CE1-CB 3.85Å; F638-R750 HydrophobicContact CE2-CB 4.09Å; F638-R750 HydrophobicContact CZ-CB 3.7Å; F638-R750 PolarHBondContact N-O 2.83Å; F638-R750 PolarHBondContact O-N 3.05Å; A640-R750 HydrophobicContact CB-CB 4.38Å; A640-R750 HydrophobicContact CB-CG 3.73Å; G642-R750 PolarHBondContact O-NE 3.42Å; E742-R750 IonicContact OE1-CZ 3.31Å; E742-R750 IonicContact OE1-NE 2.62Å; E742-R750 IonicContact OE1-NH1 3.19Å; E742-R750 PolarHBondContact OE1-NH1 2.75Å; E742-R750 IonicContact OE1-NH2 3.98Å; E742-R750 PolarHBondContact OE1-NH2 3.26Å; E742-R750 IonicContact OE2-CZ 2.8Å; E742-R750 IonicContact OE2-NH1 3.41Å; E742-R750 PolarHBondContact OE2-NH1 2.78Å; E742-R750 IonicContact OE2-NH2 3.05Å; E742-R750 PolarHBondContact OE2-NH2 3.26Å; E743-R750 CarbonylContact O-C 3.58Å; E743-R750 WeakPolarHBondContact O-CA 3.47Å
751R93.7Very high88.7Confident50 Ų5039.4 Ų39.419%0.18922%0.222CC..EExtended strand (participates in β ladder)trans-123.1126.8-177.3176.4166.1-77.71681.2110R635 F636 D637 E742 E743 I745 V753R635-R751 VanDerWaalsContact CD-NE 3.35Å; R635-R751 HydrophobicContact CG-CG 3.88Å; F636-R751 WeakPolarHBondContact O-CA 3.24Å; D637-R751 WeakPolarHBondContact OD1-CG 3.48Å; D637-R751 IonicContact OD1-CZ 2.75Å; D637-R751 IonicContact OD1-NE 3.29Å; D637-R751 PolarHBondContact OD1-NE 3.01Å; D637-R751 IonicContact OD1-NH2 2.62Å; D637-R751 PolarHBondContact OD1-NH2 3.27Å; D637-R751 IonicContact OD2-CZ 3.8Å; D637-R751 IonicContact OD2-NE 3Å; D637-R751 IonicContact OD2-NH2 3.09Å; D637-R751 PolarHBondContact OD2-NH2 3.03Å; E742-R751 CarbonylContact C-O 3.6Å; E742-R751 VanDerWaalsContact CA-O 3.29Å; E742-R751 WeakPolarHBondContact CA-O 3.35Å; E743-R751 HydrophobicContact CG-CB 3.97Å; E743-R751 HydrophobicContact CG-CG 4.42Å; E743-R751 PolarHBondContact N-O 2.96Å; E743-R751 PolarHBondContact O-N 3.35Å; I745-R751 HydrophobicContact CD1-CB 3.81Å; I745-R751 VanDerWaalsContact CD1-NH2 3.32Å; I745-R751 HydrophobicContact CG1-CB 3.7Å; R751-V753 HydrophobicContact CG-CG2 4.33Å
752I97.8Very high88.5Confident0 Ų042.9 Ų42.90%023%0.233CC..EExtended strand (participates in β ladder)trans-102.1133.7162.7-80.3164.7000108.8L611 L615 R635 F636 F638 I739 S741 E742 A754L611-I752 HydrophobicContact CD1-CD1 4.34Å; L611-I752 HydrophobicContact CD2-CB 4.39Å; L611-I752 HydrophobicContact CD2-CG2 3.72Å; L615-I752 HydrophobicContact CD1-CD1 4.11Å; L615-I752 HydrophobicContact CD2-CD1 3.68Å; L615-I752 HydrophobicContact CG-CD1 4.33Å; R635-I752 CarbonylContact C-O 3.51Å; R635-I752 WeakPolarHBondContact CA-O 3.37Å; F636-I752 PolarHBondContact N-O 3.4Å; F636-I752 PolarHBondContact O-N 3.5Å; F638-I752 HydrophobicContact CE1-CB 4.4Å; F638-I752 HydrophobicContact CE1-CD1 3.72Å; F638-I752 HydrophobicContact CE1-CG1 3.88Å; F638-I752 HydrophobicContact CZ-CD1 3.98Å; F638-I752 HydrophobicContact CZ-CG1 4.42Å; I739-I752 HydrophobicContact CD1-CD1 4.35Å; I739-I752 HydrophobicContact CG1-CG2 4.23Å; I739-I752 HydrophobicContact CG2-CG1 4.35Å; I739-I752 HydrophobicContact CG2-CG2 3.96Å; S741-I752 WeakPolarHBondContact O-CA 3.41Å; E742-I752 HydrophobicContact CB-CG1 4.43Å; E742-I752 HydrophobicContact CG-CG1 3.91Å; I752-A754 HydrophobicContact CG2-CB 4.14Å
753V96.9Very high88.5Confident26 Ų2641.6 Ų41.616%0.15823%0.228CC..EExtended strand (participates in β ladder)trans-107.7130.5159.9-175.70000107K633 L634 R635 V740 S741 R751K633-V753 HydrophobicContact CB-CG1 4.37Å; K633-V753 HydrophobicContact CD-CG1 4.32Å; L634-V753 WeakPolarHBondContact O-CA 3.32Å; R635-V753 HydrophobicContact CG-CG2 4.47Å; V740-V753 HydrophobicContact CG2-CB 3.94Å; V740-V753 HydrophobicContact CG2-CG1 3.74Å; V740-V753 WeakPolarHBondContact CG2-O 3.39Å; V740-V753 PolarHBondContact N-O 2.95Å; S741-V753 PolarHBondContact N-O 3.29Å; S741-V753 PolarHBondContact O-N 3.27Å; S741-V753 WeakPolarHBondContact OG-CB 3.22Å; R751-V753 HydrophobicContact CG-CG2 4.33Å
754A98.1Very high88.9Confident0 Ų040 Ų400%022%0.222CC..EExtended strand (participates in β ladder)trans-136.1161.7179.100000111K633 L634 F737 V738 I739 I752K633-A754 WeakPolarHBondContact CA-O 3.48Å; L634-A754 HydrophobicContact CD1-CB 3.84Å; L634-A754 HydrophobicContact CG-CB 4.04Å; L634-A754 PolarHBondContact N-O 3.31Å; L634-A754 PolarHBondContact O-N 3.37Å; F737-A754 HydrophobicContact CD2-CB 4.39Å; F737-A754 HydrophobicContact CE1-CB 4.41Å; F737-A754 HydrophobicContact CE2-CB 3.42Å; F737-A754 VanDerWaalsContact CE2-CB 3.42Å; F737-A754 HydrophobicContact CZ-CB 3.42Å; F737-A754 VanDerWaalsContact CZ-CB 3.42Å; V738-A754 CarbonylContact O-C 3.58Å; V738-A754 WeakPolarHBondContact O-CA 3.25Å; V738-A754 VanDerWaalsContact O-CB 3.27Å; V738-A754 WeakPolarHBondContact O-CB 3.34Å; I739-A754 HydrophobicContact CG1-CB 4.44Å; I752-A754 HydrophobicContact CG2-CB 4.14Å
755V97.2Very high89.4Confident10 Ų1044.5 Ų44.56%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-132.6147.8179-61.40000109.2K633 V738 V740 E759 A760K633-V755 HydrophobicContact CB-CG1 4.16Å; V738-V755 HydrophobicContact CB-CG2 4.05Å; V738-V755 PolarHBondContact N-O 3.36Å; V738-V755 PolarHBondContact O-N 2.64Å; V740-V755 HydrophobicContact CG1-CG1 4.21Å; V740-V755 HydrophobicContact CG1-CG2 3.74Å; V755-E759 HydrophobicContact CB-CB 3.87Å; V755-E759 HydrophobicContact CG1-CB 4.29Å; V755-E759 HydrophobicContact CG2-CB 4.29Å; V755-A760 HydrophobicContact CG2-CB 4.2Å
756S96.5Very high90.4Very high9 Ų945.3 Ų45.36%0.06323%0.225CC..EExtended strand (participates in β ladder)trans-122.3173.7176.273.10000112.2S603 N604 P736 A758 E759 A760S603-S756 WeakPolarHBondContact CB-OG 3.15Å; N604-S756 WeakPolarHBondContact OD1-CB 3.21Å; N604-S756 PolarHBondContact OD1-N 2.77Å; N604-S756 PolarHBondContact OD1-OG 3.48Å; P736-S756 CarbonylContact O-C 3.59Å; P736-S756 WeakPolarHBondContact O-CA 3.48Å; S756-A758 PolarHBondContact O-N 3.23Å; S756-E759 PolarHBondContact O-N 2.95Å; S756-A760 PolarHBondContact O-N 2.89Å
757G92.8Very high91.7Very high10 Ų1044.3 Ų44.310%0.10322%0.216CC..Hα-helixtrans57-121.816900000114.3A734 P736 R761A734-G757 WeakPolarHBondContact O-CA 3.42Å; A734-G757 PolarHBondContact O-N 2.79Å; A734-G757 VanDerWaalsContact O-N 3.15Å; P736-G757 PolarHBondContact O-N 3.06Å; G757-R761 WeakPolarHBondContact O-CG 3.21Å; G757-R761 PolarHBondContact O-N 3.46Å; G757-R761 VanDerWaalsContact O-N 3.11Å
758A87.9Confident93.3Very high56 Ų5646.9 Ų46.946%0.46323%0.232SC..Hα-helixtrans-65.7-39.9-175.700000113.1S756 R761 K762S756-A758 PolarHBondContact O-N 3.23Å; A758-R761 PolarHBondContact O-N 2.96Å; A758-K762 WeakPolarHBondContact O-CG 3.31Å; A758-K762 PolarHBondContact O-N 2.88Å
759E90.3Very high94.2Very high68 Ų6847.5 Ų47.532%0.31823%0.231SC..Hα-helixtrans-69.1-39.4179.5-63.8-46.6116.900111.4V755 S756 R761 K762 A763V755-E759 HydrophobicContact CB-CB 3.87Å; V755-E759 HydrophobicContact CG1-CB 4.29Å; V755-E759 HydrophobicContact CG2-CB 4.29Å; S756-E759 PolarHBondContact O-N 2.95Å; E759-R761 PolarHBondContact O-N 3.4Å; E759-K762 WeakPolarHBondContact O-CB 3.44Å; E759-K762 PolarHBondContact O-N 3.04Å; E759-K762 WeakPolarHBondContact OE1-CE 3.3Å; E759-K762 IonicContact OE1-NZ 3.16Å; E759-K762 PolarHBondContact OE1-NZ 2.95Å; E759-K762 WeakPolarHBondContact OE2-CD 3.14Å; E759-K762 IonicContact OE2-NZ 2.9Å; E759-K762 PolarHBondContact OE2-NZ 2.78Å; E759-A763 PolarHBondContact O-N 2.85Å
760A95.8Very high94.7Very high0 Ų045.9 Ų45.90%022%0.223CC..Hα-helixtrans-60.9-42.5171.400000112.6P736 V738 V755 S756 K762 A763 L764P736-A760 HydrophobicContact CB-CB 4.13Å; P736-A760 HydrophobicContact CG-CB 4.01Å; P736-A760 WeakPolarHBondContact O-CB 3.27Å; V738-A760 HydrophobicContact CB-CB 4.32Å; V738-A760 HydrophobicContact CG2-CB 3.97Å; V755-A760 HydrophobicContact CG2-CB 4.2Å; S756-A760 PolarHBondContact O-N 2.89Å; A760-K762 VanDerWaalsContact C-N 3.31Å; A760-K762 PolarHBondContact O-N 2.84Å; A760-A763 WeakPolarHBondContact O-CB 3.18Å; A760-A763 PolarHBondContact O-N 3.44Å; A760-L764 WeakPolarHBondContact O-CG 3.4Å; A760-L764 PolarHBondContact O-N 3.28Å
761R94.9Very high94.9Very high133 Ų13349.2 Ų49.250%0.50224%0.238SC..Hα-helixtrans-63.1-35.7174.4-68.6-179.1-157.3114.6-1112.5P736 G757 A758 E759 R765P736-R761 HydrophobicContact CG-CG 3.52Å; G757-R761 WeakPolarHBondContact O-CG 3.21Å; G757-R761 PolarHBondContact O-N 3.46Å; G757-R761 VanDerWaalsContact O-N 3.11Å; A758-R761 PolarHBondContact O-N 2.96Å; E759-R761 PolarHBondContact O-N 3.4Å; R761-R765 WeakPolarHBondContact O-CG 3.49Å; R761-R765 PolarHBondContact O-N 3.32Å; R761-R765 PolarHBondContact O-NE 2.67Å
762K92.3Very high95Very high107 Ų10753.7 Ų53.747%0.46526%0.258SS..Hα-helixtrans-64.5-45.3173.8-71.6171.9-175.6170.30110.7A758 E759 A760 R765 K766A758-K762 WeakPolarHBondContact O-CG 3.31Å; A758-K762 PolarHBondContact O-N 2.88Å; E759-K762 WeakPolarHBondContact O-CB 3.44Å; E759-K762 PolarHBondContact O-N 3.04Å; E759-K762 WeakPolarHBondContact OE1-CE 3.3Å; E759-K762 IonicContact OE1-NZ 3.16Å; E759-K762 PolarHBondContact OE1-NZ 2.95Å; E759-K762 WeakPolarHBondContact OE2-CD 3.14Å; E759-K762 IonicContact OE2-NZ 2.9Å; E759-K762 PolarHBondContact OE2-NZ 2.78Å; A760-K762 VanDerWaalsContact C-N 3.31Å; A760-K762 PolarHBondContact O-N 2.84Å; K762-R765 PolarHBondContact O-N 3.03Å; K762-K766 PolarHBondContact O-N 3.16Å
763A95.4Very high94.8Very high4 Ų458.2 Ų58.23%0.03328%0.282CS..Hα-helixtrans-58.3-48.3175.900000111.8V738 E759 A760 K766 V767V738-A763 HydrophobicContact CG1-CB 4.38Å; E759-A763 PolarHBondContact O-N 2.85Å; A760-A763 WeakPolarHBondContact O-CB 3.18Å; A760-A763 PolarHBondContact O-N 3.44Å; A763-K766 WeakPolarHBondContact O-CB 3.32Å; A763-K766 PolarHBondContact O-N 2.69Å; A763-K766 VanDerWaalsContact O-N 3.17Å; A763-V767 WeakPolarHBondContact O-CG2 3.33Å; A763-V767 PolarHBondContact O-N 3.08Å
764L96.4Very high94.8Very high63 Ų6358 Ų5833%0.3328%0.28SS..Hα-helixtrans-63.5-44.5179-67.7171000112.8P736 V738 A760 K766 V767 D768 P808P736-L764 HydrophobicContact CB-CD1 4.11Å; V738-L764 HydrophobicContact CG2-CD1 4.46Å; V738-L764 HydrophobicContact CG2-CD2 4.14Å; V738-L764 HydrophobicContact CG2-CG 4.07Å; A760-L764 WeakPolarHBondContact O-CG 3.4Å; A760-L764 PolarHBondContact O-N 3.28Å; L764-K766 PolarHBondContact O-N 3.19Å; L764-V767 VanDerWaalsContact O-CB 3.31Å; L764-V767 WeakPolarHBondContact O-CB 3.47Å; L764-V767 PolarHBondContact O-N 3.37Å; L764-V767 VanDerWaalsContact O-N 3.1Å; L764-D768 PolarHBondContact O-N 2.89Å; L764-D768 VanDerWaalsContact O-N 3.16Å; L764-P808 HydrophobicContact CD2-CG 3.98Å
765R95.5Very high94.7Very high164 Ų16461.3 Ų61.362%0.61930%0.303SS*.Hα-helixtrans-60.3-35.2174.2-75.2-174.6-66.8-168.60.7112.4R761 K762 D768 S769R761-R765 WeakPolarHBondContact O-CG 3.49Å; R761-R765 PolarHBondContact O-N 3.32Å; R761-R765 PolarHBondContact O-NE 2.67Å; K762-R765 PolarHBondContact O-N 3.03Å; R765-D768 PolarHBondContact O-N 3.27Å; R765-S769 PolarHBondContact O-N 3.27Å
766K94.3Very high94.6Very high91 Ų9164.8 Ų64.840%0.39632%0.322SS..Hα-helixtrans-66.5-39.6176.4-172.565.5179178.10111K762 A763 L764 D768 S769 L770 I807K762-K766 PolarHBondContact O-N 3.16Å; A763-K766 WeakPolarHBondContact O-CB 3.32Å; A763-K766 PolarHBondContact O-N 2.69Å; A763-K766 VanDerWaalsContact O-N 3.17Å; L764-K766 PolarHBondContact O-N 3.19Å; K766-D768 VanDerWaalsContact C-N 3.35Å; K766-D768 PolarHBondContact O-N 3.31Å; K766-S769 PolarHBondContact O-N 3.36Å; K766-S769 PolarHBondContact O-OG 3.16Å; K766-L770 HydrophobicContact CG-CD1 4.04Å; K766-L770 WeakPolarHBondContact O-CG 3.37Å; K766-L770 PolarHBondContact O-N 3Å; K766-I807 HydrophobicContact CB-CG2 3.9Å; K766-I807 HydrophobicContact CG-CG2 3.87Å
767V96.3Very high94.5Very high2 Ų264.7 Ų64.71%0.01232%0.32CS..Hα-helixtrans-56.2-48.8172.6175.30000111.2A763 L764 S769 L770 K771 I807 P808A763-V767 WeakPolarHBondContact O-CG2 3.33Å; A763-V767 PolarHBondContact O-N 3.08Å; L764-V767 VanDerWaalsContact O-CB 3.31Å; L764-V767 WeakPolarHBondContact O-CB 3.47Å; L764-V767 PolarHBondContact O-N 3.37Å; L764-V767 VanDerWaalsContact O-N 3.1Å; V767-S769 VanDerWaalsContact C-N 3.28Å; V767-S769 PolarHBondContact O-N 3.45Å; V767-L770 PolarHBondContact O-N 3.32Å; V767-L770 VanDerWaalsContact O-N 3.08Å; V767-K771 HydrophobicContact CG1-CD 3.91Å; V767-K771 HydrophobicContact CG1-CG 4.19Å; V767-K771 PolarHBondContact O-N 2.96Å; V767-I807 HydrophobicContact CG2-CB 3.66Å; V767-I807 HydrophobicContact CG2-CD1 4.42Å; V767-I807 HydrophobicContact CG2-CG2 3.75Å; V767-P808 VanDerWaalsContact CG2-CD 3.43Å; V767-P808 HydrophobicContact CG2-CG 4.26Å
768D95.1Very high94.6Very high101 Ų10166.5 Ų66.554%0.5433%0.327SS..Hα-helixtrans-60.5-41-178.3-65.4-28.8000111.6L764 R765 K766 L770 K771 K772L764-D768 PolarHBondContact O-N 2.89Å; L764-D768 VanDerWaalsContact O-N 3.16Å; R765-D768 PolarHBondContact O-N 3.27Å; K766-D768 VanDerWaalsContact C-N 3.35Å; K766-D768 PolarHBondContact O-N 3.31Å; D768-L770 VanDerWaalsContact C-N 3.35Å; D768-L770 PolarHBondContact O-N 3.46Å; D768-K771 PolarHBondContact O-N 3.45Å; D768-K772 PolarHBondContact O-N 3.42Å
769S94.7Very high95Very high50 Ų5066.4 Ų66.435%0.3533%0.327SS..Hα-helixtrans-63.1-39.517575.30000112.8R765 K766 V767 K772 L773R765-S769 PolarHBondContact O-N 3.27Å; K766-S769 PolarHBondContact O-N 3.36Å; K766-S769 PolarHBondContact O-OG 3.16Å; V767-S769 VanDerWaalsContact C-N 3.28Å; V767-S769 PolarHBondContact O-N 3.45Å; S769-K772 PolarHBondContact O-N 2.78Å; S769-L773 WeakPolarHBondContact O-CG 3.49Å; S769-L773 PolarHBondContact O-N 3.18Å
770L95.5Very high95.2Very high2 Ų267.3 Ų67.31%0.0133%0.33CS..Hα-helixtrans-72.9-37.9179.7-70.9165.7000111.9K766 V767 D768 K772 L773 L774 L798 T801 L802 A805 I807 L815K766-L770 HydrophobicContact CG-CD1 4.04Å; K766-L770 WeakPolarHBondContact O-CG 3.37Å; K766-L770 PolarHBondContact O-N 3Å; V767-L770 PolarHBondContact O-N 3.32Å; V767-L770 VanDerWaalsContact O-N 3.08Å; D768-L770 VanDerWaalsContact C-N 3.35Å; D768-L770 PolarHBondContact O-N 3.46Å; L770-K772 VanDerWaalsContact C-N 3.3Å; L770-K772 PolarHBondContact O-N 2.79Å; L770-L773 PolarHBondContact O-N 3.46Å; L770-L774 VanDerWaalsContact O-CB 3.32Å; L770-L774 WeakPolarHBondContact O-CB 3.27Å; L770-L774 PolarHBondContact O-N 3.02Å; L770-L798 HydrophobicContact CD2-CD1 3.87Å; L770-T801 HydrophobicContact CD2-CG2 3.98Å; L770-L802 HydrophobicContact CD1-CD2 3.89Å; L770-L802 HydrophobicContact CD2-CD2 4.32Å; L770-L802 HydrophobicContact CG-CD2 4.48Å; L770-A805 HydrophobicContact CD1-CB 4.21Å; L770-I807 HydrophobicContact CD1-CD1 4.01Å; L770-I807 HydrophobicContact CD1-CG2 4.28Å; L770-L815 HydrophobicContact CB-CD1 4.3Å
771K96.2Very high95.1Very high88 Ų8867.4 Ų67.438%0.38333%0.33SS..Hα-helixtrans-61-40.7172.6-78.8178.7179.4170.10111.4V767 D768 L774 S775 L815V767-K771 HydrophobicContact CG1-CD 3.91Å; V767-K771 HydrophobicContact CG1-CG 4.19Å; V767-K771 PolarHBondContact O-N 2.96Å; D768-K771 PolarHBondContact O-N 3.45Å; K771-L774 PolarHBondContact O-N 2.72Å; K771-S775 WeakPolarHBondContact O-CB 3.32Å; K771-S775 PolarHBondContact O-N 3.39Å; K771-L815 HydrophobicContact CG-CD2 3.93Å
772K95.3Very high95Very high143 Ų14368.3 Ų68.362%0.62234%0.338SS*.Hα-helixtrans-63.6-50.1175-173.4177.9178.3-178.10111.7D768 S769 L770 L774 S775 D776D768-K772 PolarHBondContact O-N 3.42Å; S769-K772 PolarHBondContact O-N 2.78Å; L770-K772 VanDerWaalsContact C-N 3.3Å; L770-K772 PolarHBondContact O-N 2.79Å; K772-L774 VanDerWaalsContact C-N 3.28Å; K772-L774 PolarHBondContact O-N 3.08Å; K772-S775 WeakPolarHBondContact O-CB 3.35Å; K772-S775 PolarHBondContact O-N 2.82Å; K772-S775 VanDerWaalsContact O-N 3.12Å; K772-D776 PolarHBondContact O-N 3.14Å
773L94.4Very high95Very high95 Ų9568.3 Ų68.350%0.49735%0.347SS..Hα-helixtrans-57-42.5176.3-72.6170.8000112.1S769 L770 D776 L777 L798S769-L773 WeakPolarHBondContact O-CG 3.49Å; S769-L773 PolarHBondContact O-N 3.18Å; L770-L773 PolarHBondContact O-N 3.46Å; L773-D776 PolarHBondContact O-N 3.01Å; L773-L777 VanDerWaalsContact O-CB 3.29Å; L773-L777 WeakPolarHBondContact O-CB 3.37Å; L773-L777 PolarHBondContact O-N 3.08Å; L773-L798 HydrophobicContact CB-CD1 4.38Å
774L95.9Very high94.8Very high22 Ų2270.3 Ų70.312%0.11536%0.355CS..Hα-helixtrans-63.2-43.217617864.3000112L770 K771 K772 L777 D778 L798 L815 A818 V819 L822L770-L774 VanDerWaalsContact O-CB 3.32Å; L770-L774 WeakPolarHBondContact O-CB 3.27Å; L770-L774 PolarHBondContact O-N 3.02Å; K771-L774 PolarHBondContact O-N 2.72Å; K772-L774 VanDerWaalsContact C-N 3.28Å; K772-L774 PolarHBondContact O-N 3.08Å; L774-L777 PolarHBondContact O-N 3.34Å; L774-D778 WeakPolarHBondContact O-CB 3.27Å; L774-D778 PolarHBondContact O-N 3.36Å; L774-L798 HydrophobicContact CB-CD2 4.27Å; L774-L798 HydrophobicContact CD1-CD2 4.2Å; L774-L815 HydrophobicContact CD2-CD2 3.52Å; L774-A818 HydrophobicContact CD1-CB 4.39Å; L774-A818 HydrophobicContact CD2-CB 3.67Å; L774-V819 HydrophobicContact CD1-CG2 3.65Å; L774-L822 HydrophobicContact CD1-CD1 3.63Å
775S95.8Very high94.5Very high70 Ų7073.8 Ų73.849%0.4938%0.379SS..Hα-helixtrans-64.5-42.5177.7-174.30000112K771 K772 L777 D778 A779K771-S775 WeakPolarHBondContact O-CB 3.32Å; K771-S775 PolarHBondContact O-N 3.39Å; K772-S775 WeakPolarHBondContact O-CB 3.35Å; K772-S775 PolarHBondContact O-N 2.82Å; K772-S775 VanDerWaalsContact O-N 3.12Å; S775-L777 VanDerWaalsContact C-N 3.3Å; S775-L777 PolarHBondContact O-N 3.11Å; S775-D778 PolarHBondContact O-N 2.95Å; S775-A779 PolarHBondContact O-N 3.29Å
776D94.6Very high94Very high83 Ų8368.3 Ų68.344%0.44437%0.369SS..Hα-helixtrans-63.4-40.4176.7-67.5-21.7000110.4K772 L773 A779 K780K772-D776 PolarHBondContact O-N 3.14Å; L773-D776 PolarHBondContact O-N 3.01Å; D776-A779 PolarHBondContact O-N 2.88Å; D776-K780 WeakPolarHBondContact O-CG 3.32Å; D776-K780 PolarHBondContact O-N 3.08Å
777L95.1Very high93.6Very high7 Ų766 Ų664%0.03736%0.364CS..Hα-helixtrans-70.4-39.9177.6-168.659.1000112.6L773 L774 S775 A779 K780 V781 V791 E794 I795 L798 L822L773-L777 VanDerWaalsContact O-CB 3.29Å; L773-L777 WeakPolarHBondContact O-CB 3.37Å; L773-L777 PolarHBondContact O-N 3.08Å; L774-L777 PolarHBondContact O-N 3.34Å; S775-L777 VanDerWaalsContact C-N 3.3Å; S775-L777 PolarHBondContact O-N 3.11Å; L777-A779 VanDerWaalsContact C-N 3.34Å; L777-A779 PolarHBondContact O-N 3.2Å; L777-K780 HydrophobicContact CD1-CD 4.47Å; L777-K780 WeakPolarHBondContact O-CB 3.44Å; L777-K780 PolarHBondContact O-N 3.33Å; L777-V781 WeakPolarHBondContact O-CB 3.44Å; L777-V781 VanDerWaalsContact O-CG2 3.25Å; L777-V781 WeakPolarHBondContact O-CG2 3.45Å; L777-V781 PolarHBondContact O-N 2.88Å; L777-V791 HydrophobicContact CD1-CG1 4.19Å; L777-E794 HydrophobicContact CD1-CB 3.77Å; L777-I795 HydrophobicContact CD1-CG1 4.22Å; L777-I795 HydrophobicContact CD2-CB 4.29Å; L777-I795 HydrophobicContact CD2-CG1 3.6Å; L777-I795 HydrophobicContact CG-CG1 4.02Å; L777-L798 HydrophobicContact CD2-CB 4.5Å; L777-L798 HydrophobicContact CD2-CD2 3.89Å; L777-L822 HydrophobicContact CB-CD1 4.31Å; L777-L822 HydrophobicContact CD2-CD1 4.35Å; L777-L822 HydrophobicContact CG-CD1 4.14Å
778D96Very high93.3Very high47 Ų4768.2 Ų68.225%0.25138%0.376SS..Hα-helixtrans-59.2-44.3173.1174.171.8000111.2L774 S775 K780 V781 K782 L822L774-D778 WeakPolarHBondContact O-CB 3.27Å; L774-D778 PolarHBondContact O-N 3.36Å; S775-D778 PolarHBondContact O-N 2.95Å; D778-K780 PolarHBondContact O-N 2.98Å; D778-V781 PolarHBondContact O-N 3.2Å; D778-K782 WeakPolarHBondContact O-CB 3.31Å; D778-K782 WeakPolarHBondContact O-CG 3.27Å; D778-K782 PolarHBondContact O-N 3.39Å; D778-K782 WeakPolarHBondContact OD1-CE 3.46Å; D778-K782 IonicContact OD1-NZ 3.79Å; D778-K782 WeakPolarHBondContact OD2-CE 3.5Å; D778-K782 IonicContact OD2-NZ 3.21Å; D778-K782 PolarHBondContact OD2-NZ 2.71Å; D778-L822 HydrophobicContact CB-CD1 4.16Å; D778-L822 HydrophobicContact CB-CD2 3.92Å; D778-L822 VanDerWaalsContact OD1-CD2 3.31Å; D778-L822 WeakPolarHBondContact OD1-CD2 3.11Å
779A95.1Very high92.9Very high54 Ų5468.6 Ų68.645%0.44637%0.372SS..Hα-helixtrans-61.1-43.1174.700000112S775 D776 L777 V783S775-A779 PolarHBondContact O-N 3.29Å; D776-A779 PolarHBondContact O-N 2.88Å; L777-A779 VanDerWaalsContact C-N 3.34Å; L777-A779 PolarHBondContact O-N 3.2Å; A779-V783 PolarHBondContact O-N 2.96Å
780K94.2Very high92.7Very high87 Ų8771.8 Ų71.838%0.37839%0.386SS..Hα-helixtrans-62.3-42174.5-74.5179.7-178.3-1780112.3D776 L777 D778 V783 Q784 E794D776-K780 WeakPolarHBondContact O-CG 3.32Å; D776-K780 PolarHBondContact O-N 3.08Å; L777-K780 HydrophobicContact CD1-CD 4.47Å; L777-K780 WeakPolarHBondContact O-CB 3.44Å; L777-K780 PolarHBondContact O-N 3.33Å; D778-K780 PolarHBondContact O-N 2.98Å; K780-V783 WeakPolarHBondContact O-CG2 3.33Å; K780-Q784 WeakPolarHBondContact O-CG 3.43Å; K780-Q784 PolarHBondContact O-NE2 2.67Å; K780-E794 IonicContact NZ-OE1 3.57Å; K780-E794 PolarHBondContact NZ-OE1 3.11Å; K780-E794 IonicContact NZ-OE2 2.93Å; K780-E794 PolarHBondContact NZ-OE2 3.45Å
781V93.7Very high92.6Very high3 Ų372 Ų722%0.01839%0.387CS..Hα-helixtrans-66.8-42.6-179.6169.10000110.9L777 D778 V783 Q784 V791 I795 L822 V825 M826L777-V781 WeakPolarHBondContact O-CB 3.44Å; L777-V781 VanDerWaalsContact O-CG2 3.25Å; L777-V781 WeakPolarHBondContact O-CG2 3.45Å; L777-V781 PolarHBondContact O-N 2.88Å; D778-V781 PolarHBondContact O-N 3.2Å; V781-V783 VanDerWaalsContact C-N 3.26Å; V781-V783 PolarHBondContact O-N 3.23Å; V781-Q784 WeakPolarHBondContact O-CB 3.38Å; V781-Q784 PolarHBondContact O-N 2.89Å; V781-V791 HydrophobicContact CG2-CG1 3.59Å; V781-I795 HydrophobicContact CG2-CD1 3.93Å; V781-L822 HydrophobicContact CB-CD2 4.28Å; V781-L822 HydrophobicContact CG1-CD2 4.25Å; V781-L822 HydrophobicContact CG2-CB 4.35Å; V781-L822 HydrophobicContact CG2-CD2 4.48Å; V781-V825 HydrophobicContact CG1-CB 3.9Å; V781-V825 HydrophobicContact CG1-CG1 3.69Å; V781-M826 HydrophobicContact CG1-CG 4.32Å; V781-M826 HydrophobicContact CG1-SD 4.1Å; V781-M826 HydrophobicContact CG2-CG 4.22Å; V781-M826 HydrophobicContact CG2-SD 4.25Å
782K92.3Very high92.4Very high151 Ų15170.3 Ų70.366%0.65738%0.38SS*.Hα-helixtrans-61.6-29.7-179.3-79.5172.1176.1164.30114.2D778 Q784D778-K782 WeakPolarHBondContact O-CB 3.31Å; D778-K782 WeakPolarHBondContact O-CG 3.27Å; D778-K782 PolarHBondContact O-N 3.39Å; D778-K782 WeakPolarHBondContact OD1-CE 3.46Å; D778-K782 IonicContact OD1-NZ 3.79Å; D778-K782 WeakPolarHBondContact OD2-CE 3.5Å; D778-K782 IonicContact OD2-NZ 3.21Å; D778-K782 PolarHBondContact OD2-NZ 2.71Å; K782-Q784 VanDerWaalsContact C-N 3.33Å
783V93.8Very high92.3Very high108 Ų10869.7 Ų69.766%0.65538%0.378SS*.THydrogen-bonded Turntrans-84.8-6.4177.7-59.30000113.2A779 K780 V781 T785A779-V783 PolarHBondContact O-N 2.96Å; K780-V783 WeakPolarHBondContact O-CG2 3.33Å; V781-V783 VanDerWaalsContact C-N 3.26Å; V781-V783 PolarHBondContact O-N 3.23Å; V783-T785 PolarHBondContact O-N 3.49Å
784Q91.6Very high92.3Very high45 Ų4568.8 Ų68.821%0.2137%0.371CS..  trans-74123.5178.3-57.6-50.9-58.900110.6K780 V781 K782 N788 M826 L829K780-Q784 WeakPolarHBondContact O-CG 3.43Å; K780-Q784 PolarHBondContact O-NE2 2.67Å; V781-Q784 WeakPolarHBondContact O-CB 3.38Å; V781-Q784 PolarHBondContact O-N 2.89Å; K782-Q784 VanDerWaalsContact C-N 3.33Å; Q784-N788 PolarHBondContact OE1-ND2 3.42Å; Q784-N788 VanDerWaalsContact OE1-ND2 3.09Å; Q784-M826 HydrophobicContact CB-CE 4.44Å; Q784-M826 HydrophobicContact CB-SD 4.17Å; Q784-M826 HydrophobicContact CG-CE 4.14Å; Q784-M826 HydrophobicContact CG-SD 3.89Å; Q784-L829 HydrophobicContact CB-CD1 3.72Å
785T88.2Confident92.2Very high136 Ų13668 Ų6883%0.83437%0.366SS*.SBendtrans-103.1-517158.90000112.5V783V783-T785 PolarHBondContact O-N 3.49Å
786A86Confident92.1Very high50 Ų5067.1 Ų67.141%0.41336%0.364SS..SBendtrans-146.5164.9-177.800000109.7
787P85.8Confident92.1Very high43 Ų4366.9 Ų66.928%0.27936%0.362SS..  trans-63.3141.1178.7-17.833.2000110.8D830 S833P787-D830 HydrophobicContact CB-CB 4.21Å; P787-D830 VanDerWaalsContact CG-CA 3.49Å; P787-D830 HydrophobicContact CG-CB 4.24Å; P787-S833 VanDerWaalsContact CG-CB 3.49Å
788N89.6Confident92.1Very high48 Ų4867.2 Ų67.226%0.25736%0.364SS..  trans-138.4109.5-179.3-174.2-33.2000109.7Q784 D790 V791 Q792 M826Q784-N788 PolarHBondContact OE1-ND2 3.42Å; Q784-N788 VanDerWaalsContact OE1-ND2 3.09Å; N788-D790 VanDerWaalsContact C-N 3.33Å; N788-D790 PolarHBondContact O-N 2.91Å; N788-D790 PolarHBondContact OD1-N 3Å; N788-D790 VanDerWaalsContact OD1-N 3.09Å; N788-V791 HydrophobicContact CB-CB 4.16Å; N788-V791 HydrophobicContact CB-CG2 4.09Å; N788-V791 PolarHBondContact O-N 3.42Å; N788-V791 PolarHBondContact OD1-N 2.86Å; N788-Q792 WeakPolarHBondContact O-CG 3.36Å; N788-Q792 PolarHBondContact O-N 3.34Å; N788-M826 HydrophobicContact CB-CE 3.86Å
789K86.7Confident91.9Very high108 Ų10867.9 Ų67.947%0.4737%0.372SS..Hα-helixtrans-67.9-31.7-175.5-70.8-173.7-179.3171.30113.1Q792 K793 E895K789-Q792 PolarHBondContact O-N 3.28Å; K789-K793 WeakPolarHBondContact O-CB 3.35Å; K789-K793 PolarHBondContact O-N 2.89Å; K789-E895 WeakPolarHBondContact CE-OE2 3.4Å; K789-E895 VanDerWaalsContact NZ-CB 3.3Å; K789-E895 IonicContact NZ-OE2 3.95Å; K789-E895 PolarHBondContact NZ-OE2 2.83Å
790D90.4Very high91.8Very high118 Ų11871.8 Ų71.863%0.63138%0.382SS*.Hα-helixtrans-67.8-44.1177.8-64.3-31.7000110.2N788 Q792 K793 E794N788-D790 VanDerWaalsContact C-N 3.33Å; N788-D790 PolarHBondContact O-N 2.91Å; N788-D790 PolarHBondContact OD1-N 3Å; N788-D790 VanDerWaalsContact OD1-N 3.09Å; D790-Q792 PolarHBondContact O-N 3.25Å; D790-K793 WeakPolarHBondContact O-CB 3.3Å; D790-K793 PolarHBondContact O-N 3.17Å; D790-E794 WeakPolarHBondContact O-CG 3.15Å; D790-E794 PolarHBondContact O-N 3.19Å
791V92.9Very high91.6Very high6 Ų670.5 Ų70.54%0.03638%0.381CS..Hα-helixtrans-64.2-40.3174.5177.60000111.4L777 V781 N788 K793 E794 I795 M826L777-V791 HydrophobicContact CD1-CG1 4.19Å; V781-V791 HydrophobicContact CG2-CG1 3.59Å; N788-V791 HydrophobicContact CB-CB 4.16Å; N788-V791 HydrophobicContact CB-CG2 4.09Å; N788-V791 PolarHBondContact O-N 3.42Å; N788-V791 PolarHBondContact OD1-N 2.86Å; V791-K793 VanDerWaalsContact C-N 3.29Å; V791-K793 PolarHBondContact O-N 3.1Å; V791-E794 PolarHBondContact O-N 3.42Å; V791-I795 HydrophobicContact CG1-CD1 4.2Å; V791-I795 VanDerWaalsContact O-CG1 3.28Å; V791-I795 WeakPolarHBondContact O-CG1 2.95Å; V791-I795 PolarHBondContact O-N 3.46Å; V791-M826 HydrophobicContact CB-CE 4.38Å; V791-M826 HydrophobicContact CG1-CE 4.4Å; V791-M826 HydrophobicContact CG1-CG 4.3Å; V791-M826 HydrophobicContact CG1-SD 4.09Å
792Q92Very high91.5Very high52 Ų5270.5 Ų70.524%0.24338%0.381CS..Hα-helixtrans-61.4-37.9174.2-75.6176.6-29.500112.4N788 K789 D790 A796 M826N788-Q792 WeakPolarHBondContact O-CG 3.36Å; N788-Q792 PolarHBondContact O-N 3.34Å; K789-Q792 PolarHBondContact O-N 3.28Å; D790-Q792 PolarHBondContact O-N 3.25Å; Q792-A796 PolarHBondContact O-N 2.88Å; Q792-A796 VanDerWaalsContact O-N 3.09Å; Q792-M826 HydrophobicContact CG-CB 3.89Å; Q792-M826 HydrophobicContact CG-CE 4.35Å; Q792-M826 HydrophobicContact CG-CG 4.39Å
793K93.2Very high91.3Very high131 Ų13165.6 Ų65.657%0.5737%0.369SS*.Hα-helixtrans-67.5-46.1174.7-172.4-177.5175.3-173.50111.3K789 D790 V791 I795 A796 D797K789-K793 WeakPolarHBondContact O-CB 3.35Å; K789-K793 PolarHBondContact O-N 2.89Å; D790-K793 WeakPolarHBondContact O-CB 3.3Å; D790-K793 PolarHBondContact O-N 3.17Å; V791-K793 VanDerWaalsContact C-N 3.29Å; V791-K793 PolarHBondContact O-N 3.1Å; K793-I795 VanDerWaalsContact C-N 3.27Å; K793-I795 PolarHBondContact O-N 3.38Å; K793-A796 WeakPolarHBondContact O-CA 3.35Å; K793-A796 WeakPolarHBondContact O-CB 3.3Å; K793-A796 PolarHBondContact O-N 2.75Å; K793-D797 VanDerWaalsContact O-CG 3.28Å; K793-D797 PolarHBondContact O-N 3.06Å
794E95.4Very high90.9Very high76 Ų7665.9 Ų65.936%0.35537%0.371SS..Hα-helixtrans-56.9-39.6175.1-71.9-175.2-148.100112L777 K780 D790 V791 L798L777-E794 HydrophobicContact CD1-CB 3.77Å; K780-E794 IonicContact NZ-OE1 3.57Å; K780-E794 PolarHBondContact NZ-OE1 3.11Å; K780-E794 IonicContact NZ-OE2 2.93Å; K780-E794 PolarHBondContact NZ-OE2 3.45Å; D790-E794 WeakPolarHBondContact O-CG 3.15Å; D790-E794 PolarHBondContact O-N 3.19Å; V791-E794 PolarHBondContact O-N 3.42Å; E794-L798 WeakPolarHBondContact O-CB 3.48Å; E794-L798 PolarHBondContact O-N 3.01Å
795I94.8Very high90.8Very high4 Ų464.3 Ų64.32%0.02137%0.365CS..Hα-helixtrans-62.8-43.4173.6-68167.6000111.3L777 V781 V791 K793 S799 V819 L822 K823 M826L777-I795 HydrophobicContact CD1-CG1 4.22Å; L777-I795 HydrophobicContact CD2-CB 4.29Å; L777-I795 HydrophobicContact CD2-CG1 3.6Å; L777-I795 HydrophobicContact CG-CG1 4.02Å; V781-I795 HydrophobicContact CG2-CD1 3.93Å; V791-I795 HydrophobicContact CG1-CD1 4.2Å; V791-I795 VanDerWaalsContact O-CG1 3.28Å; V791-I795 WeakPolarHBondContact O-CG1 2.95Å; V791-I795 PolarHBondContact O-N 3.46Å; K793-I795 VanDerWaalsContact C-N 3.27Å; K793-I795 PolarHBondContact O-N 3.38Å; I795-S799 WeakPolarHBondContact O-CB 3.25Å; I795-S799 PolarHBondContact O-N 2.98Å; I795-V819 HydrophobicContact CG2-CG1 3.97Å; I795-L822 HydrophobicContact CD1-CB 4.16Å; I795-L822 HydrophobicContact CG1-CB 4.48Å; I795-K823 HydrophobicContact CG2-CB 3.82Å; I795-K823 HydrophobicContact CG2-CG 4.31Å; I795-M826 HydrophobicContact CD1-CB 4.42Å; I795-M826 HydrophobicContact CD1-CG 3.63Å
796A93.8Very high90.9Very high53 Ų5363.4 Ų63.444%0.43835%0.354SS..Hα-helixtrans-65.3-45.4178.600000111.7Q792 K793 L798 S799 E800Q792-A796 PolarHBondContact O-N 2.88Å; Q792-A796 VanDerWaalsContact O-N 3.09Å; K793-A796 WeakPolarHBondContact O-CA 3.35Å; K793-A796 WeakPolarHBondContact O-CB 3.3Å; K793-A796 PolarHBondContact O-N 2.75Å; A796-L798 VanDerWaalsContact C-N 3.34Å; A796-L798 PolarHBondContact O-N 3.14Å; A796-S799 WeakPolarHBondContact O-CB 3.4Å; A796-S799 PolarHBondContact O-N 2.96Å; A796-S799 VanDerWaalsContact O-N 3.13Å; A796-E800 PolarHBondContact O-N 2.93Å
797D93.6Very high91.4Very high77 Ų7761 Ų6141%0.41234%0.335SS..Hα-helixtrans-62.4-40.7178.9-65.1-11.8000111.2K793 E800 T801K793-D797 VanDerWaalsContact O-CG 3.28Å; K793-D797 PolarHBondContact O-N 3.06Å; D797-E800 PolarHBondContact O-N 2.85Å; D797-T801 WeakPolarHBondContact O-CB 3.26Å; D797-T801 PolarHBondContact O-N 3.15Å; D797-T801 PolarHBondContact O-OG1 3.2Å
798L94.3Very high92Very high14 Ų1459 Ų597%0.07332%0.321CS..Hα-helixtrans-66.4-38.9174.2-177.959.4000111.8L770 L773 L774 L777 E794 A796 E800 T801 L802 V819L770-L798 HydrophobicContact CD2-CD1 3.87Å; L773-L798 HydrophobicContact CB-CD1 4.38Å; L774-L798 HydrophobicContact CB-CD2 4.27Å; L774-L798 HydrophobicContact CD1-CD2 4.2Å; L777-L798 HydrophobicContact CD2-CB 4.5Å; L777-L798 HydrophobicContact CD2-CD2 3.89Å; E794-L798 WeakPolarHBondContact O-CB 3.48Å; E794-L798 PolarHBondContact O-N 3.01Å; A796-L798 VanDerWaalsContact C-N 3.34Å; A796-L798 PolarHBondContact O-N 3.14Å; L798-E800 VanDerWaalsContact C-N 3.34Å; L798-E800 PolarHBondContact O-N 2.92Å; L798-T801 PolarHBondContact O-N 3.38Å; L798-L802 HydrophobicContact CD1-CG 4.45Å; L798-L802 HydrophobicContact CG-CD1 4.34Å; L798-L802 WeakPolarHBondContact O-CB 3.36Å; L798-L802 WeakPolarHBondContact O-CG 3.46Å; L798-L802 PolarHBondContact O-N 3.41Å; L798-V819 HydrophobicContact CD2-CG2 3.8Å; L798-V819 HydrophobicContact CG-CG2 4.08Å
799S93.3Very high92.3Very high61 Ų6157.9 Ų57.943%0.42732%0.315SS..Hα-helixtrans-62.8-39.8175.9-172.20000112.2I795 A796 A803I795-S799 WeakPolarHBondContact O-CB 3.25Å; I795-S799 PolarHBondContact O-N 2.98Å; A796-S799 WeakPolarHBondContact O-CB 3.4Å; A796-S799 PolarHBondContact O-N 2.96Å; A796-S799 VanDerWaalsContact O-N 3.13Å; S799-A803 PolarHBondContact O-N 3.47Å; S799-A803 VanDerWaalsContact O-N 3.14Å
800E91.9Very high92.9Very high137 Ų13754.3 Ų54.364%0.6430%0.298SS*.Hα-helixtrans-69.1-44.3176.1-174.3175.3-178.600111.3A796 D797 L798 L802 A803 T804A796-E800 PolarHBondContact O-N 2.93Å; D797-E800 PolarHBondContact O-N 2.85Å; L798-E800 VanDerWaalsContact C-N 3.34Å; L798-E800 PolarHBondContact O-N 2.92Å; E800-L802 VanDerWaalsContact C-N 3.29Å; E800-L802 PolarHBondContact O-N 2.58Å; E800-A803 WeakPolarHBondContact O-CB 3.3Å; E800-A803 PolarHBondContact O-N 2.93Å; E800-T804 PolarHBondContact O-N 3.08Å
801T90.6Very high93.2Very high60 Ų6049.6 Ų49.637%0.36827%0.273SS..Hα-helixtrans-58.1-42.6174.8-58.70000111.3L770 D797 L798 A803 A805L770-T801 HydrophobicContact CD2-CG2 3.98Å; D797-T801 WeakPolarHBondContact O-CB 3.26Å; D797-T801 PolarHBondContact O-N 3.15Å; D797-T801 PolarHBondContact O-OG1 3.2Å; L798-T801 PolarHBondContact O-N 3.38Å; T801-A803 VanDerWaalsContact C-N 3.28Å; T801-A803 PolarHBondContact O-N 2.86Å; T801-A805 WeakPolarHBondContact O-CB 3.39Å; T801-A805 PolarHBondContact O-N 3.31Å; T801-A805 VanDerWaalsContact O-N 3.16Å
802L92.1Very high93.3Very high2 Ų250.3 Ų50.31%0.0128%0.275CS..Hα-helixtrans-65.6-29.6175.2-79.1172000112.4L770 L798 E800 I807 K812 L815 V819L770-L802 HydrophobicContact CD1-CD2 3.89Å; L770-L802 HydrophobicContact CD2-CD2 4.32Å; L770-L802 HydrophobicContact CG-CD2 4.48Å; L798-L802 HydrophobicContact CD1-CG 4.45Å; L798-L802 HydrophobicContact CG-CD1 4.34Å; L798-L802 WeakPolarHBondContact O-CB 3.36Å; L798-L802 WeakPolarHBondContact O-CG 3.46Å; L798-L802 PolarHBondContact O-N 3.41Å; E800-L802 VanDerWaalsContact C-N 3.29Å; E800-L802 PolarHBondContact O-N 2.58Å; L802-I807 HydrophobicContact CD2-CD1 4.26Å; L802-K812 WeakPolarHBondContact O-CE 3.24Å; L802-L815 HydrophobicContact CD1-CB 4.06Å; L802-L815 HydrophobicContact CD2-CB 3.91Å; L802-L815 HydrophobicContact CD2-CD1 3.86Å; L802-V819 HydrophobicContact CD1-CB 4.42Å; L802-V819 HydrophobicContact CD1-CG2 3.6Å
803A87.5Confident93.5Very high48 Ų4849.6 Ų49.640%0.39727%0.273SS..Hα-helixtrans-65.6-41.7-178.700000112S799 E800 T801 K812S799-A803 PolarHBondContact O-N 3.47Å; S799-A803 VanDerWaalsContact O-N 3.14Å; E800-A803 WeakPolarHBondContact O-CB 3.3Å; E800-A803 PolarHBondContact O-N 2.93Å; T801-A803 VanDerWaalsContact C-N 3.28Å; T801-A803 PolarHBondContact O-N 2.86Å; A803-K812 WeakPolarHBondContact O-CE 3.13Å; A803-K812 PolarHBondContact O-NZ 2.88Å
804T86.3Confident93.6Very high115 Ų11547.1 Ų47.171%0.70626%0.263SS*.Hα-helixtrans-94.5-7.9-176.1580000114E800 I806E800-T804 PolarHBondContact O-N 3.08Å; T804-I806 PolarHBondContact O-N 2.81Å
805A87.8Confident93.7Very high11 Ų1144.1 Ų44.19%0.09125%0.25CC..  trans-63.1134179.800000112.7L770 T801 I807 K812L770-A805 HydrophobicContact CD1-CB 4.21Å; T801-A805 WeakPolarHBondContact O-CB 3.39Å; T801-A805 PolarHBondContact O-N 3.31Å; T801-A805 VanDerWaalsContact O-N 3.16Å; A805-I807 HydrophobicContact CB-CD1 4.27Å; A805-I807 HydrophobicContact CB-CG1 4.12Å; A805-I807 HydrophobicContact CB-CG2 4.21Å; A805-I807 PolarHBondContact O-N 3.48Å; A805-K812 WeakPolarHBondContact O-CE 3.12Å; A805-K812 PolarHBondContact O-NZ 3.17Å
806I90.5Very high93.7Very high118 Ų11848.2 Ų48.261%0.60527%0.265SS*.  trans-90.893.2169.1-56.4174.6000107.1V740 T804V740-I806 HydrophobicContact CB-CG2 4.03Å; V740-I806 HydrophobicContact CG1-CG2 3.64Å; T804-I806 PolarHBondContact O-N 2.81Å
807I96.8Very high93.8Very high0 Ų051 Ų510%027%0.269CS..SBendtrans-143.1165.8-177.158169.8000108.7K766 V767 L770 L802 A805 Q809 K812 L815K766-I807 HydrophobicContact CB-CG2 3.9Å; K766-I807 HydrophobicContact CG-CG2 3.87Å; V767-I807 HydrophobicContact CG2-CB 3.66Å; V767-I807 HydrophobicContact CG2-CD1 4.42Å; V767-I807 HydrophobicContact CG2-CG2 3.75Å; L770-I807 HydrophobicContact CD1-CD1 4.01Å; L770-I807 HydrophobicContact CD1-CG2 4.28Å; L802-I807 HydrophobicContact CD2-CD1 4.26Å; A805-I807 HydrophobicContact CB-CD1 4.27Å; A805-I807 HydrophobicContact CB-CG1 4.12Å; A805-I807 HydrophobicContact CB-CG2 4.21Å; A805-I807 PolarHBondContact O-N 3.48Å; I807-Q809 PolarHBondContact O-N 3.26Å; I807-K812 HydrophobicContact CD1-CB 3.91Å; I807-K812 HydrophobicContact CD1-CG 4.04Å; I807-K812 HydrophobicContact CG1-CB 3.95Å; I807-K812 HydrophobicContact CG1-CD 4.27Å; I807-K812 HydrophobicContact CG1-CG 4.11Å; I807-L815 HydrophobicContact CD1-CD1 4.12Å
808P97.9Very high93.9Very high0 Ų049.1 Ų49.10%026%0.264CS..  trans-51.4124.4175.4-23.332.6000111.5V738 I739 L764 V767 W810 Q811 K812V738-P808 HydrophobicContact CB-CG 4.39Å; V738-P808 HydrophobicContact CG1-CB 3.8Å; V738-P808 HydrophobicContact CG1-CG 3.47Å; V738-P808 VanDerWaalsContact CG1-CG 3.47Å; V738-P808 HydrophobicContact CG2-CG 4Å; I739-P808 CarbonylContact O-C 3.46Å; I739-P808 WeakPolarHBondContact O-CA 3.38Å; L764-P808 HydrophobicContact CD2-CG 3.98Å; V767-P808 VanDerWaalsContact CG2-CD 3.43Å; V767-P808 HydrophobicContact CG2-CG 4.26Å; P808-W810 VanDerWaalsContact C-N 3.25Å; P808-W810 PolarHBondContact O-N 2.98Å; P808-Q811 HydrophobicContact CB-CB 4.26Å; P808-Q811 HydrophobicContact CB-CG 4.19Å; P808-Q811 VanDerWaalsContact CG-OE1 3.3Å; P808-Q811 PolarHBondContact O-N 2.79Å; P808-K812 PolarHBondContact O-N 2.93Å
809Q97.5Very high94Very high25 Ų2548.6 Ų48.612%0.11726%0.262CS..Hα-helixtrans-57.5-40.7-171.7175.553.740.100111.1I649 I739 E742 I807 Q811 K812 D813I649-Q809 HydrophobicContact CD1-CG 3.94Å; I649-Q809 HydrophobicContact CG2-CB 4.36Å; I739-Q809 HydrophobicContact CG2-CB 4.45Å; I739-Q809 WeakPolarHBondContact O-CB 3.22Å; I739-Q809 PolarHBondContact O-N 2.82Å; E742-Q809 HydrophobicContact CB-CG 4.47Å; I807-Q809 PolarHBondContact O-N 3.26Å; Q809-Q811 PolarHBondContact O-N 3.33Å; Q809-K812 VanDerWaalsContact O-CB 3.29Å; Q809-K812 WeakPolarHBondContact O-CB 3.34Å; Q809-K812 PolarHBondContact O-N 2.94Å; Q809-D813 VanDerWaalsContact NE2-CG 3.33Å; Q809-D813 PolarHBondContact NE2-OD1 2.9Å; Q809-D813 PolarHBondContact NE2-OD2 3.34Å; Q809-D813 VanDerWaalsContact NE2-OD2 3.09Å; Q809-D813 PolarHBondContact O-N 3.39Å; Q809-D813 VanDerWaalsContact O-N 3.09Å
810W97.3Very high94.1Very high32 Ų3251.4 Ų51.412%0.12127%0.266CS..Hα-helixtrans-67-36.3178.868.6-90.9000112.9T646 I649 K650 E653 P808 D813 E814T646-W810 HydrophobicContact CG2-CB 3.81Å; I649-W810 HydrophobicContact CG2-CB 4.31Å; K650-W810 HydrophobicContact CB-CB 4.07Å; K650-W810 HydrophobicContact CB-CD2 4.02Å; K650-W810 HydrophobicContact CB-CE3 4.49Å; K650-W810 HydrophobicContact CB-CG 3.83Å; K650-W810 HydrophobicContact CD-CD2 3.97Å; K650-W810 HydrophobicContact CD-CE3 3.68Å; K650-W810 HydrophobicContact CD-CH2 4.36Å; K650-W810 HydrophobicContact CD-CZ3 3.9Å; K650-W810 VanDerWaalsContact CE-CZ3 3.41Å; K650-W810 HydrophobicContact CG-CD2 3.8Å; K650-W810 HydrophobicContact CG-CE3 4.07Å; K650-W810 HydrophobicContact CG-CG 4.16Å; K650-W810 HydrophobicContact CG-CZ2 4.37Å; K650-W810 HydrophobicContact CG-CZ3 4.46Å; K650-W810 VanDerWaalsContact NZ-CZ3 3.33Å; E653-W810 PolarHBondContact OE1-NE1 2.79Å; P808-W810 VanDerWaalsContact C-N 3.25Å; P808-W810 PolarHBondContact O-N 2.98Å; W810-D813 PolarHBondContact O-N 2.93Å; W810-E814 WeakPolarHBondContact CZ3-OE1 3.06Å; W810-E814 WeakPolarHBondContact CZ3-OE2 3.41Å; W810-E814 WeakPolarHBondContact O-CG 3.44Å; W810-E814 PolarHBondContact O-N 3.16Å; W810-E814 VanDerWaalsContact O-N 3.15Å
811Q97.2Very high94.3Very high20 Ų2047.5 Ų47.59%0.09326%0.257CS..Hα-helixtrans-72.1-34174.9-67.4-174.3-44.300111.7P808 Q809 D813 E814 L815P808-Q811 HydrophobicContact CB-CB 4.26Å; P808-Q811 HydrophobicContact CB-CG 4.19Å; P808-Q811 VanDerWaalsContact CG-OE1 3.3Å; P808-Q811 PolarHBondContact O-N 2.79Å; Q809-Q811 PolarHBondContact O-N 3.33Å; Q811-D813 VanDerWaalsContact C-N 3.29Å; Q811-D813 PolarHBondContact O-N 3.2Å; Q811-E814 PolarHBondContact O-N 2.79Å; Q811-L815 WeakPolarHBondContact O-CB 3.41Å; Q811-L815 VanDerWaalsContact O-CG 3.22Å; Q811-L815 WeakPolarHBondContact O-CG 3.45Å; Q811-L815 PolarHBondContact O-N 2.85Å
812K96.5Very high94.5Very high20 Ų2045.1 Ų45.19%0.08724%0.242CC..Hα-helixtrans-58.3-44.2173.4-164.7175.8-169.2171.40110.9L802 A803 A805 I807 P808 Q809 L815 R816L802-K812 WeakPolarHBondContact O-CE 3.24Å; A803-K812 WeakPolarHBondContact O-CE 3.13Å; A803-K812 PolarHBondContact O-NZ 2.88Å; A805-K812 WeakPolarHBondContact O-CE 3.12Å; A805-K812 PolarHBondContact O-NZ 3.17Å; I807-K812 HydrophobicContact CD1-CB 3.91Å; I807-K812 HydrophobicContact CD1-CG 4.04Å; I807-K812 HydrophobicContact CG1-CB 3.95Å; I807-K812 HydrophobicContact CG1-CD 4.27Å; I807-K812 HydrophobicContact CG1-CG 4.11Å; P808-K812 PolarHBondContact O-N 2.93Å; Q809-K812 VanDerWaalsContact O-CB 3.29Å; Q809-K812 WeakPolarHBondContact O-CB 3.34Å; Q809-K812 PolarHBondContact O-N 2.94Å; K812-L815 PolarHBondContact O-N 3.46Å; K812-R816 WeakPolarHBondContact O-CB 3.34Å; K812-R816 VanDerWaalsContact O-CG 3.25Å; K812-R816 WeakPolarHBondContact O-CG 3.44Å; K812-R816 PolarHBondContact O-N 3.37Å
813D95.3Very high94.7Very high37 Ų3750.5 Ų50.520%0.19827%0.265CS..Hα-helixtrans-67.1-43.8178.1-65.1-24.3000111.9T646 Q809 W810 Q811 L815 R816 E817T646-D813 HydrophobicContact CG2-CB 4.05Å; T646-D813 PolarHBondContact OG1-OD2 3.17Å; Q809-D813 VanDerWaalsContact NE2-CG 3.33Å; Q809-D813 PolarHBondContact NE2-OD1 2.9Å; Q809-D813 PolarHBondContact NE2-OD2 3.34Å; Q809-D813 VanDerWaalsContact NE2-OD2 3.09Å; Q809-D813 PolarHBondContact O-N 3.39Å; Q809-D813 VanDerWaalsContact O-N 3.09Å; W810-D813 PolarHBondContact O-N 2.93Å; Q811-D813 VanDerWaalsContact C-N 3.29Å; Q811-D813 PolarHBondContact O-N 3.2Å; D813-L815 PolarHBondContact O-N 3.46Å; D813-R816 PolarHBondContact O-N 3.28Å; D813-R816 IonicContact OD1-NH1 2.67Å; D813-E817 PolarHBondContact O-N 3.06Å; D813-E817 VanDerWaalsContact O-N 3.11Å
814E95.3Very high95Very high80 Ų8054.6 Ų54.637%0.37427%0.274SS..Hα-helixtrans-59.8-45.1174.4-72.6178.817900112.1K650 W810 Q811 E817 A818K650-E814 IonicContact NZ-OE1 3.65Å; K650-E814 PolarHBondContact NZ-OE1 2.98Å; W810-E814 WeakPolarHBondContact CZ3-OE1 3.06Å; W810-E814 WeakPolarHBondContact CZ3-OE2 3.41Å; W810-E814 WeakPolarHBondContact O-CG 3.44Å; W810-E814 PolarHBondContact O-N 3.16Å; W810-E814 VanDerWaalsContact O-N 3.15Å; Q811-E814 PolarHBondContact O-N 2.79Å; E814-E817 PolarHBondContact O-N 2.83Å; E814-A818 PolarHBondContact O-N 2.99Å; E814-A818 VanDerWaalsContact O-N 3.12Å
815L96.8Very high95.3Very high12 Ų1252.3 Ų52.36%0.06326%0.26CS..Hα-helixtrans-65.7-38.8178-71.2171.9000112.2L770 K771 L774 L802 I807 Q811 K812 D813 A818 V819L770-L815 HydrophobicContact CB-CD1 4.3Å; K771-L815 HydrophobicContact CG-CD2 3.93Å; L774-L815 HydrophobicContact CD2-CD2 3.52Å; L802-L815 HydrophobicContact CD1-CB 4.06Å; L802-L815 HydrophobicContact CD2-CB 3.91Å; L802-L815 HydrophobicContact CD2-CD1 3.86Å; I807-L815 HydrophobicContact CD1-CD1 4.12Å; Q811-L815 WeakPolarHBondContact O-CB 3.41Å; Q811-L815 VanDerWaalsContact O-CG 3.22Å; Q811-L815 WeakPolarHBondContact O-CG 3.45Å; Q811-L815 PolarHBondContact O-N 2.85Å; K812-L815 PolarHBondContact O-N 3.46Å; D813-L815 PolarHBondContact O-N 3.46Å; L815-A818 PolarHBondContact O-N 3.11Å; L815-V819 WeakPolarHBondContact O-CG2 3.35Å; L815-V819 PolarHBondContact O-N 2.92Å
816R95.9Very high95.6Very high90 Ų9051.8 Ų51.834%0.3426%0.256SS..Hα-helixtrans-61.9-44.6176.5-81.2169.9171.4172.4-6.4112K812 D813 A818 V819 K820K812-R816 WeakPolarHBondContact O-CB 3.34Å; K812-R816 VanDerWaalsContact O-CG 3.25Å; K812-R816 WeakPolarHBondContact O-CG 3.44Å; K812-R816 PolarHBondContact O-N 3.37Å; D813-R816 PolarHBondContact O-N 3.28Å; D813-R816 IonicContact OD1-NH1 2.67Å; R816-A818 VanDerWaalsContact C-N 3.32Å; R816-A818 PolarHBondContact O-N 3.4Å; R816-V819 PolarHBondContact O-N 3.01Å; R816-K820 VanDerWaalsContact O-CB 3.32Å; R816-K820 WeakPolarHBondContact O-CB 3.35Å; R816-K820 PolarHBondContact O-N 3.29Å
817E95.6Very high95.5Very high111 Ų11149.2 Ų49.252%0.51924%0.243SC..Hα-helixtrans-66.5-35.7177.1-73.2-58.7127.400111.8D813 E814 K820 A821D813-E817 PolarHBondContact O-N 3.06Å; D813-E817 VanDerWaalsContact O-N 3.11Å; E814-E817 PolarHBondContact O-N 2.83Å; E817-K820 PolarHBondContact O-N 2.82Å; E817-K820 IonicContact OE1-NZ 2.78Å; E817-K820 PolarHBondContact OE1-NZ 3.05Å; E817-K820 IonicContact OE2-NZ 3.57Å; E817-K820 PolarHBondContact OE2-NZ 2.86Å; E817-A821 PolarHBondContact O-N 3.33Å
818A95.9Very high95.3Very high38 Ų3852.2 Ų52.231%0.31426%0.259SS..Hα-helixtrans-64.9-45.4173.400000112.7L774 E814 L815 R816 K820 A821 L822L774-A818 HydrophobicContact CD1-CB 4.39Å; L774-A818 HydrophobicContact CD2-CB 3.67Å; E814-A818 PolarHBondContact O-N 2.99Å; E814-A818 VanDerWaalsContact O-N 3.12Å; L815-A818 PolarHBondContact O-N 3.11Å; R816-A818 VanDerWaalsContact C-N 3.32Å; R816-A818 PolarHBondContact O-N 3.4Å; A818-K820 VanDerWaalsContact C-N 3.3Å; A818-K820 PolarHBondContact O-N 3.09Å; A818-A821 WeakPolarHBondContact O-CB 3.26Å; A818-A821 PolarHBondContact O-N 3.49Å; A818-A821 VanDerWaalsContact O-N 3.15Å; A818-L822 PolarHBondContact O-N 3.35Å; A818-L822 VanDerWaalsContact O-N 3.07Å
819V96.2Very high95Very high4 Ų454 Ų542%0.02427%0.269CS..Hα-helixtrans-61.1-40.1175.3170.20000111.5L774 I795 L798 L802 L815 R816 A821 L822 K823L774-V819 HydrophobicContact CD1-CG2 3.65Å; I795-V819 HydrophobicContact CG2-CG1 3.97Å; L798-V819 HydrophobicContact CD2-CG2 3.8Å; L798-V819 HydrophobicContact CG-CG2 4.08Å; L802-V819 HydrophobicContact CD1-CB 4.42Å; L802-V819 HydrophobicContact CD1-CG2 3.6Å; L815-V819 WeakPolarHBondContact O-CG2 3.35Å; L815-V819 PolarHBondContact O-N 2.92Å; R816-V819 PolarHBondContact O-N 3.01Å; V819-A821 VanDerWaalsContact C-N 3.32Å; V819-A821 PolarHBondContact O-N 2.58Å; V819-L822 WeakPolarHBondContact O-CB 3.35Å; V819-L822 PolarHBondContact O-N 3.31Å; V819-K823 PolarHBondContact O-N 2.89Å
820K95.9Very high94.5Very high119 Ų11955 Ų5552%0.51728%0.275SS..Hα-helixtrans-64.2-35.8175.6-178.7-178.9168.6-158.60112.3R816 E817 A818 K823 K824R816-K820 VanDerWaalsContact O-CB 3.32Å; R816-K820 WeakPolarHBondContact O-CB 3.35Å; R816-K820 PolarHBondContact O-N 3.29Å; E817-K820 PolarHBondContact O-N 2.82Å; E817-K820 IonicContact OE1-NZ 2.78Å; E817-K820 PolarHBondContact OE1-NZ 3.05Å; E817-K820 IonicContact OE2-NZ 3.57Å; E817-K820 PolarHBondContact OE2-NZ 2.86Å; A818-K820 VanDerWaalsContact C-N 3.3Å; A818-K820 PolarHBondContact O-N 3.09Å; K820-K823 PolarHBondContact O-N 3.36Å; K820-K824 PolarHBondContact O-N 3.3Å
821A95.4Very high94.1Very high55 Ų5561.2 Ų61.246%0.45530%0.298SS..Hα-helixtrans-63.9-44.2172.500000111.7E817 A818 V819 K823 K824 V825E817-A821 PolarHBondContact O-N 3.33Å; A818-A821 WeakPolarHBondContact O-CB 3.26Å; A818-A821 PolarHBondContact O-N 3.49Å; A818-A821 VanDerWaalsContact O-N 3.15Å; V819-A821 VanDerWaalsContact C-N 3.32Å; V819-A821 PolarHBondContact O-N 2.58Å; A821-K823 PolarHBondContact O-N 2.67Å; A821-K824 WeakPolarHBondContact O-CB 3.22Å; A821-K824 PolarHBondContact O-N 3.08Å; A821-V825 PolarHBondContact O-N 2.93Å; A821-V825 VanDerWaalsContact O-N 3.17Å
822L95.4Very high93.7Very high11 Ų1162.6 Ų62.66%0.05831%0.313CS..Hα-helixtrans-60.8-44.3174.5-63.1-173000112.1L774 L777 D778 V781 I795 A818 V819 K824 V825 M826L774-L822 HydrophobicContact CD1-CD1 3.63Å; L777-L822 HydrophobicContact CB-CD1 4.31Å; L777-L822 HydrophobicContact CD2-CD1 4.35Å; L777-L822 HydrophobicContact CG-CD1 4.14Å; D778-L822 HydrophobicContact CB-CD1 4.16Å; D778-L822 HydrophobicContact CB-CD2 3.92Å; D778-L822 VanDerWaalsContact OD1-CD2 3.31Å; D778-L822 WeakPolarHBondContact OD1-CD2 3.11Å; V781-L822 HydrophobicContact CB-CD2 4.28Å; V781-L822 HydrophobicContact CG1-CD2 4.25Å; V781-L822 HydrophobicContact CG2-CB 4.35Å; V781-L822 HydrophobicContact CG2-CD2 4.48Å; I795-L822 HydrophobicContact CD1-CB 4.16Å; I795-L822 HydrophobicContact CG1-CB 4.48Å; A818-L822 PolarHBondContact O-N 3.35Å; A818-L822 VanDerWaalsContact O-N 3.07Å; V819-L822 WeakPolarHBondContact O-CB 3.35Å; V819-L822 PolarHBondContact O-N 3.31Å; L822-K824 VanDerWaalsContact C-N 3.29Å; L822-K824 PolarHBondContact O-N 2.92Å; L822-V825 PolarHBondContact O-N 3.48Å; L822-M826 PolarHBondContact O-N 3.04Å
823K94.8Very high93.2Very high114 Ų11463.6 Ų63.650%0.49632%0.322SS..Hα-helixtrans-56.9-44.8175.9-171.4174.5177.9174.80111.4I795 V819 K820 A821 V825 M826 D827I795-K823 HydrophobicContact CG2-CB 3.82Å; I795-K823 HydrophobicContact CG2-CG 4.31Å; V819-K823 PolarHBondContact O-N 2.89Å; K820-K823 PolarHBondContact O-N 3.36Å; A821-K823 PolarHBondContact O-N 2.67Å; K823-V825 VanDerWaalsContact C-N 3.33Å; K823-V825 PolarHBondContact O-N 2.94Å; K823-M826 PolarHBondContact O-N 3.36Å; K823-D827 VanDerWaalsContact O-CG 3.31Å; K823-D827 PolarHBondContact O-N 3.12Å
824K94.5Very high92.7Very high134 Ų13467.1 Ų67.158%0.58334%0.336SS*.Hα-helixtrans-59.8-41.8178.6-174.1-179.4177.1-174.50112.2K820 A821 L822 M826 D827 D828K820-K824 PolarHBondContact O-N 3.3Å; A821-K824 WeakPolarHBondContact O-CB 3.22Å; A821-K824 PolarHBondContact O-N 3.08Å; L822-K824 VanDerWaalsContact C-N 3.29Å; L822-K824 PolarHBondContact O-N 2.92Å; K824-M826 PolarHBondContact O-N 3.17Å; K824-D827 PolarHBondContact O-N 3.15Å; K824-D828 WeakPolarHBondContact O-CB 3.43Å; K824-D828 PolarHBondContact O-N 3.2Å
825V93.6Very high92.4Very high67 Ų6765.7 Ų65.741%0.40634%0.338SS..Hα-helixtrans-59.7-46.4176.5175.50000110.9V781 A821 L822 K823 D828 L829V781-V825 HydrophobicContact CG1-CB 3.9Å; V781-V825 HydrophobicContact CG1-CG1 3.69Å; A821-V825 PolarHBondContact O-N 2.93Å; A821-V825 VanDerWaalsContact O-N 3.17Å; L822-V825 PolarHBondContact O-N 3.48Å; K823-V825 VanDerWaalsContact C-N 3.33Å; K823-V825 PolarHBondContact O-N 2.94Å; V825-D828 PolarHBondContact O-N 2.86Å; V825-L829 WeakPolarHBondContact O-CG 3.34Å; V825-L829 PolarHBondContact O-N 2.84Å
826M92.2Very high91.9Very high0 Ų069.5 Ų69.50%036%0.358CS..Hα-helixtrans-66.1-39.2178.3-66.8-53.1-57.600112.8V781 Q784 N788 V791 Q792 I795 L822 K823 K824 D828 L829 D830V781-M826 HydrophobicContact CG1-CG 4.32Å; V781-M826 HydrophobicContact CG1-SD 4.1Å; V781-M826 HydrophobicContact CG2-CG 4.22Å; V781-M826 HydrophobicContact CG2-SD 4.25Å; Q784-M826 HydrophobicContact CB-CE 4.44Å; Q784-M826 HydrophobicContact CB-SD 4.17Å; Q784-M826 HydrophobicContact CG-CE 4.14Å; Q784-M826 HydrophobicContact CG-SD 3.89Å; N788-M826 HydrophobicContact CB-CE 3.86Å; V791-M826 HydrophobicContact CB-CE 4.38Å; V791-M826 HydrophobicContact CG1-CE 4.4Å; V791-M826 HydrophobicContact CG1-CG 4.3Å; V791-M826 HydrophobicContact CG1-SD 4.09Å; Q792-M826 HydrophobicContact CG-CB 3.89Å; Q792-M826 HydrophobicContact CG-CE 4.35Å; Q792-M826 HydrophobicContact CG-CG 4.39Å; I795-M826 HydrophobicContact CD1-CB 4.42Å; I795-M826 HydrophobicContact CD1-CG 3.63Å; L822-M826 PolarHBondContact O-N 3.04Å; K823-M826 PolarHBondContact O-N 3.36Å; K824-M826 PolarHBondContact O-N 3.17Å; M826-D828 VanDerWaalsContact C-N 3.34Å; M826-L829 HydrophobicContact CE-CD1 4.48Å; M826-L829 PolarHBondContact O-N 2.85Å; M826-L829 HydrophobicContact SD-CD1 4.13Å; M826-D830 PolarHBondContact O-N 2.91Å
827D90.4Very high91.5Very high64 Ų6466.2 Ų66.234%0.34235%0.347SS..Hα-helixtrans-66.2-35.8176.4-70.9-14.5000111.8K823 K824 D830 R831K823-D827 VanDerWaalsContact O-CG 3.31Å; K823-D827 PolarHBondContact O-N 3.12Å; K824-D827 PolarHBondContact O-N 3.15Å; D827-D830 PolarHBondContact O-N 3.18Å; D827-R831 WeakPolarHBondContact O-CB 3.49Å; D827-R831 PolarHBondContact O-N 2.72Å
828D91.9Very high91.2Very high64 Ų6462.5 Ų62.534%0.34233%0.33SS..Hα-helixtrans-70.6-37.7176-74.9-24.7000111.5K824 V825 M826 R831 A832K824-D828 WeakPolarHBondContact O-CB 3.43Å; K824-D828 PolarHBondContact O-N 3.2Å; V825-D828 PolarHBondContact O-N 2.86Å; M826-D828 VanDerWaalsContact C-N 3.34Å; D828-R831 PolarHBondContact O-N 3.36Å; D828-R831 IonicContact OD1-CZ 3.87Å; D828-R831 IonicContact OD1-NH1 2.65Å; D828-R831 PolarHBondContact OD1-NH1 3.33Å; D828-R831 IonicContact OD1-NH2 2.77Å; D828-A832 WeakPolarHBondContact O-CB 3.26Å; D828-A832 PolarHBondContact O-N 2.85Å
829L90.8Very high90.9Very high37 Ų3766.7 Ų66.719%0.19434%0.341CS..Hα-helixtrans-62-44.1170.9-73.5174000111.9Q784 V825 M826 R831 A832 S833Q784-L829 HydrophobicContact CB-CD1 3.72Å; V825-L829 WeakPolarHBondContact O-CG 3.34Å; V825-L829 PolarHBondContact O-N 2.84Å; M826-L829 HydrophobicContact CE-CD1 4.48Å; M826-L829 PolarHBondContact O-N 2.85Å; M826-L829 HydrophobicContact SD-CD1 4.13Å; L829-R831 VanDerWaalsContact C-N 3.34Å; L829-R831 PolarHBondContact O-N 2.9Å; L829-A832 PolarHBondContact O-N 3.15Å; L829-S833 WeakPolarHBondContact O-CB 3.46Å; L829-S833 PolarHBondContact O-N 3Å
830D87.6Confident90.6Very high45 Ų4571.7 Ų71.724%0.24136%0.36CS..Hα-helixtrans-59.3-44.7175-179.858.5000111.6P787 M826 D827 S833 K834P787-D830 HydrophobicContact CB-CB 4.21Å; P787-D830 VanDerWaalsContact CG-CA 3.49Å; P787-D830 HydrophobicContact CG-CB 4.24Å; M826-D830 PolarHBondContact O-N 2.91Å; D827-D830 PolarHBondContact O-N 3.18Å; D830-S833 PolarHBondContact O-N 2.78Å; D830-K834 VanDerWaalsContact CG-NZ 3.33Å; D830-K834 WeakPolarHBondContact O-CB 3.42Å; D830-K834 WeakPolarHBondContact O-CG 3.09Å; D830-K834 PolarHBondContact O-N 2.86Å; D830-K834 WeakPolarHBondContact OD1-CE 3.11Å; D830-K834 IonicContact OD1-NZ 2.73Å; D830-K834 PolarHBondContact OD1-NZ 2.94Å; D830-K834 WeakPolarHBondContact OD2-CE 3.32Å; D830-K834 IonicContact OD2-NZ 3.46Å; D830-K834 PolarHBondContact OD2-NZ 3.25Å
831R88.4Confident90.4Very high163 Ų16366.1 Ų66.162%0.61534%0.336SS*.Hα-helixtrans-63.6-43.7176.3-166.5-178.1-59.8148.19.2112.2D827 D828 L829 K834 A835D827-R831 WeakPolarHBondContact O-CB 3.49Å; D827-R831 PolarHBondContact O-N 2.72Å; D828-R831 PolarHBondContact O-N 3.36Å; D828-R831 IonicContact OD1-CZ 3.87Å; D828-R831 IonicContact OD1-NH1 2.65Å; D828-R831 PolarHBondContact OD1-NH1 3.33Å; D828-R831 IonicContact OD1-NH2 2.77Å; L829-R831 VanDerWaalsContact C-N 3.34Å; L829-R831 PolarHBondContact O-N 2.9Å; R831-K834 PolarHBondContact O-N 3.06Å; R831-A835 WeakPolarHBondContact O-CB 3.43Å; R831-A835 PolarHBondContact O-N 3.26Å
832A88.9Confident90.2Very high49 Ų4965.2 Ų65.241%0.40532%0.323SS..Hα-helixtrans-65.2-42.3178.900000112D828 L829 A835 N836D828-A832 WeakPolarHBondContact O-CB 3.26Å; D828-A832 PolarHBondContact O-N 2.85Å; L829-A832 PolarHBondContact O-N 3.15Å; A832-A835 PolarHBondContact O-N 3.13Å; A832-N836 PolarHBondContact O-N 3.04Å
833S86.8Confident90Very high41 Ų4168.9 Ų68.929%0.28734%0.34SS..Hα-helixtrans-59-49.7175.4-176.50000111.4P787 L829 D830 A835 N836 I837P787-S833 VanDerWaalsContact CG-CB 3.49Å; L829-S833 WeakPolarHBondContact O-CB 3.46Å; L829-S833 PolarHBondContact O-N 3Å; D830-S833 PolarHBondContact O-N 2.78Å; S833-A835 VanDerWaalsContact C-N 3.31Å; S833-A835 PolarHBondContact O-N 3.17Å; S833-N836 PolarHBondContact O-N 3.5Å; S833-N836 VanDerWaalsContact O-N 3.16Å; S833-I837 WeakPolarHBondContact O-CG1 3.5Å; S833-I837 PolarHBondContact O-N 3.3Å
834K85.3Confident89.8Confident111 Ų11167.9 Ų67.948%0.48334%0.335SS..Hα-helixtrans-60.3-38.5177-73.5170.3179.1165.30112.7D830 R831 Q838D830-K834 VanDerWaalsContact CG-NZ 3.33Å; D830-K834 WeakPolarHBondContact O-CB 3.42Å; D830-K834 WeakPolarHBondContact O-CG 3.09Å; D830-K834 PolarHBondContact O-N 2.86Å; D830-K834 WeakPolarHBondContact OD1-CE 3.11Å; D830-K834 IonicContact OD1-NZ 2.73Å; D830-K834 PolarHBondContact OD1-NZ 2.94Å; D830-K834 WeakPolarHBondContact OD2-CE 3.32Å; D830-K834 IonicContact OD2-NZ 3.46Å; D830-K834 PolarHBondContact OD2-NZ 3.25Å; R831-K834 PolarHBondContact O-N 3.06Å; K834-Q838 WeakPolarHBondContact O-CB 3.32Å; K834-Q838 PolarHBondContact O-N 3.34Å
835A87.2Confident89.6Confident51 Ų5161.5 Ų61.542%0.42131%0.308SS..Hα-helixtrans-67.4-39.317600000112.6R831 A832 S833 Q838 K839R831-A835 WeakPolarHBondContact O-CB 3.43Å; R831-A835 PolarHBondContact O-N 3.26Å; A832-A835 PolarHBondContact O-N 3.13Å; S833-A835 VanDerWaalsContact C-N 3.31Å; S833-A835 PolarHBondContact O-N 3.17Å; A835-Q838 WeakPolarHBondContact O-CB 3.29Å; A835-Q838 PolarHBondContact O-N 3.09Å; A835-K839 PolarHBondContact O-N 3.41Å
836N88Confident89.6Confident91 Ų9162.7 Ų62.749%0.48731%0.307SS..Hα-helixtrans-66-43.4176.1-81.1-27.5000112.3A832 S833 Q838 K839 R840A832-N836 PolarHBondContact O-N 3.04Å; S833-N836 PolarHBondContact O-N 3.5Å; S833-N836 VanDerWaalsContact O-N 3.16Å; N836-Q838 VanDerWaalsContact C-N 3.32Å; N836-Q838 PolarHBondContact O-N 2.97Å; N836-K839 PolarHBondContact O-N 3.44Å; N836-R840 PolarHBondContact O-N 3.34Å
837I87.2Confident89.5Confident21 Ų2168.4 Ų68.411%0.10833%0.334CS..Hα-helixtrans-58.1-48.1172.4-65.5166.7000109.4S833 K839 R840 V841 A866S833-I837 WeakPolarHBondContact O-CG1 3.5Å; S833-I837 PolarHBondContact O-N 3.3Å; I837-K839 VanDerWaalsContact C-N 3.31Å; I837-K839 PolarHBondContact O-N 2.89Å; I837-R840 PolarHBondContact O-N 3.01Å; I837-V841 HydrophobicContact CG2-CG2 3.99Å; I837-V841 WeakPolarHBondContact O-CB 3.49Å; I837-V841 WeakPolarHBondContact O-CG2 3.4Å; I837-V841 PolarHBondContact O-N 3.29Å; I837-A866 HydrophobicContact CG2-CB 4.23Å
838Q88.4Confident89.5Confident34 Ų3467.2 Ų67.216%0.15933%0.329CS..Hα-helixtrans-56.5-43.9177.5179.7172.55.400112.1K834 A835 N836 V841 L842 A870 E873K834-Q838 WeakPolarHBondContact O-CB 3.32Å; K834-Q838 PolarHBondContact O-N 3.34Å; A835-Q838 WeakPolarHBondContact O-CB 3.29Å; A835-Q838 PolarHBondContact O-N 3.09Å; N836-Q838 VanDerWaalsContact C-N 3.32Å; N836-Q838 PolarHBondContact O-N 2.97Å; Q838-V841 PolarHBondContact O-N 3.06Å; Q838-L842 HydrophobicContact CG-CD1 4.09Å; Q838-L842 VanDerWaalsContact O-CG 3.25Å; Q838-L842 WeakPolarHBondContact O-CG 3.16Å; Q838-L842 PolarHBondContact O-N 3.1Å; Q838-A870 HydrophobicContact CB-CB 4.11Å; Q838-A870 HydrophobicContact CG-CB 3.85Å; Q838-E873 PolarHBondContact NE2-OE1 3.03Å; Q838-E873 VanDerWaalsContact NE2-OE1 3.13Å; Q838-E873 PolarHBondContact NE2-OE2 3.38Å
839K89.8Confident89.5Confident126 Ų12664.4 Ų64.455%0.54831%0.314SS..Hα-helixtrans-61.1-48177.9-172.7-178.6174.9-171.70112.1A835 N836 I837 L842 E843A835-K839 PolarHBondContact O-N 3.41Å; N836-K839 PolarHBondContact O-N 3.44Å; I837-K839 VanDerWaalsContact C-N 3.31Å; I837-K839 PolarHBondContact O-N 2.89Å; K839-L842 PolarHBondContact O-N 2.93Å; K839-E843 WeakPolarHBondContact CE-OE1 3.22Å; K839-E843 PolarHBondContact O-N 2.87Å
840R90.5Very high89.5Confident109 Ų10969.4 Ų69.441%0.41134%0.336SS..Hα-helixtrans-63.8-41.5178.5-70.9-168.4-61.8-985.2112.5N836 I837 L842 E843 K844 E863N836-R840 PolarHBondContact O-N 3.34Å; I837-R840 PolarHBondContact O-N 3.01Å; R840-L842 VanDerWaalsContact C-N 3.3Å; R840-L842 PolarHBondContact O-N 3.47Å; R840-E843 PolarHBondContact O-N 3.38Å; R840-K844 WeakPolarHBondContact O-CB 3.43Å; R840-K844 PolarHBondContact O-N 2.92Å; R840-E863 VanDerWaalsContact CB-OE2 3.22Å; R840-E863 WeakPolarHBondContact CB-OE2 3.25Å; R840-E863 IonicContact CZ-OE1 2.76Å; R840-E863 IonicContact CZ-OE2 3.58Å; R840-E863 IonicContact NE-OE1 2.7Å; R840-E863 PolarHBondContact NE-OE1 2.91Å; R840-E863 IonicContact NE-OE2 3.15Å; R840-E863 PolarHBondContact NE-OE2 3.45Å; R840-E863 IonicContact NH2-OE1 3.67Å; R840-E863 PolarHBondContact NH2-OE1 2.52Å; R840-E863 IonicContact NH2-OE2 3.34Å
841V91.3Very high89.6Confident2 Ų271.1 Ų71.11%0.01235%0.352CS..Hα-helixtrans-58.4-42.7174.8171.10000110.9I837 Q838 T845 M862 E863 A866 A870I837-V841 HydrophobicContact CG2-CG2 3.99Å; I837-V841 WeakPolarHBondContact O-CB 3.49Å; I837-V841 WeakPolarHBondContact O-CG2 3.4Å; I837-V841 PolarHBondContact O-N 3.29Å; Q838-V841 PolarHBondContact O-N 3.06Å; V841-T845 WeakPolarHBondContact O-CB 3.34Å; V841-T845 PolarHBondContact O-N 3.48Å; V841-T845 PolarHBondContact O-OG1 3.34Å; V841-M862 HydrophobicContact CG1-CB 4.42Å; V841-M862 HydrophobicContact CG1-CE 3.3Å; V841-M862 HydrophobicContact CG1-SD 4.41Å; V841-E863 HydrophobicContact CG2-CB 3.81Å; V841-A866 HydrophobicContact CG2-CB 3.7Å; V841-A870 HydrophobicContact CB-CB 4.46Å; V841-A870 HydrophobicContact CG1-CB 4.08Å
842L91.3Very high89.5Confident35 Ų3568.9 Ų68.918%0.18335%0.348CS..Hα-helixtrans-71.7-37.8177.3-66.8170.7000113Q838 K839 R840 T845 K846 E873 L877Q838-L842 HydrophobicContact CG-CD1 4.09Å; Q838-L842 VanDerWaalsContact O-CG 3.25Å; Q838-L842 WeakPolarHBondContact O-CG 3.16Å; Q838-L842 PolarHBondContact O-N 3.1Å; K839-L842 PolarHBondContact O-N 2.93Å; R840-L842 VanDerWaalsContact C-N 3.3Å; R840-L842 PolarHBondContact O-N 3.47Å; L842-T845 WeakPolarHBondContact O-CB 3.43Å; L842-T845 PolarHBondContact O-N 2.81Å; L842-K846 WeakPolarHBondContact O-CG 3.19Å; L842-K846 PolarHBondContact O-N 2.93Å; L842-E873 WeakPolarHBondContact CD1-OE2 3.49Å; L842-E873 HydrophobicContact CD2-CB 3.73Å; L842-L877 HydrophobicContact CB-CD1 4.47Å; L842-L877 HydrophobicContact CD2-CD1 3.8Å
843E91Very high89.4Confident89 Ų8970.7 Ų70.742%0.41636%0.356SS..Hα-helixtrans-63.9-46.6174.6-77.7172.7-178.700111.3K839 R840 T845 K846 Q847K839-E843 WeakPolarHBondContact CE-OE1 3.22Å; K839-E843 PolarHBondContact O-N 2.87Å; R840-E843 PolarHBondContact O-N 3.38Å; E843-T845 VanDerWaalsContact C-N 3.29Å; E843-T845 PolarHBondContact O-N 2.98Å; E843-K846 PolarHBondContact O-N 2.81Å; E843-K846 VanDerWaalsContact O-N 3.17Å; E843-Q847 WeakPolarHBondContact O-CG 3.47Å; E843-Q847 PolarHBondContact O-N 3.31Å
844K90.1Very high89.5Confident92 Ų9271.6 Ų71.640%0.436%0.357SS..Hα-helixtrans-58.1-42.5173.1-170.5-178-177.3-172.20111.3R840 K846 Q847 V848 M860 E861R840-K844 WeakPolarHBondContact O-CB 3.43Å; R840-K844 PolarHBondContact O-N 2.92Å; K844-K846 PolarHBondContact O-N 3.01Å; K844-Q847 PolarHBondContact O-N 3.1Å; K844-V848 WeakPolarHBondContact O-CG2 3.49Å; K844-V848 PolarHBondContact O-N 3.15Å; K844-M860 HydrophobicContact CD-CE 4.07Å; K844-M860 HydrophobicContact CG-CE 4.29Å; K844-E861 PolarHBondContact NZ-O 2.97Å
845T92Very high89.6Confident0 Ų070.1 Ų70.10%035%0.352CS..Hα-helixtrans-58.2-46.9175.4-60.50000112V841 L842 E843 V848 I849 M862 S874 L877 F878V841-T845 WeakPolarHBondContact O-CB 3.34Å; V841-T845 PolarHBondContact O-N 3.48Å; V841-T845 PolarHBondContact O-OG1 3.34Å; L842-T845 WeakPolarHBondContact O-CB 3.43Å; L842-T845 PolarHBondContact O-N 2.81Å; E843-T845 VanDerWaalsContact C-N 3.29Å; E843-T845 PolarHBondContact O-N 2.98Å; T845-V848 PolarHBondContact O-N 3.37Å; T845-I849 HydrophobicContact CG2-CD1 3.9Å; T845-I849 WeakPolarHBondContact O-CG1 3.5Å; T845-I849 PolarHBondContact O-N 3.23Å; T845-I849 VanDerWaalsContact O-N 3.09Å; T845-M862 WeakPolarHBondContact OG1-CE 3.31Å; T845-S874 WeakPolarHBondContact OG1-CB 3.38Å; T845-S874 PolarHBondContact OG1-OG 2.84Å; T845-L877 HydrophobicContact CG2-CB 4.11Å; T845-L877 HydrophobicContact CG2-CD1 4.09Å; T845-F878 HydrophobicContact CG2-CD2 3.84Å; T845-F878 HydrophobicContact CG2-CE2 3.48Å; T845-F878 VanDerWaalsContact CG2-CE2 3.48Å; T845-F878 HydrophobicContact CG2-CZ 4.09Å
846K91.9Very high89.6Confident92 Ų9270.9 Ų70.940%0.435%0.353SS..Hα-helixtrans-61.6-45177.6-71.2176.8-178.3-179.90112L842 E843 K844 V848 I849 E850 L877L842-K846 WeakPolarHBondContact O-CG 3.19Å; L842-K846 PolarHBondContact O-N 2.93Å; E843-K846 PolarHBondContact O-N 2.81Å; E843-K846 VanDerWaalsContact O-N 3.17Å; K844-K846 PolarHBondContact O-N 3.01Å; K846-V848 VanDerWaalsContact C-N 3.32Å; K846-V848 PolarHBondContact O-N 3.23Å; K846-I849 PolarHBondContact O-N 3.42Å; K846-I849 VanDerWaalsContact O-N 3.17Å; K846-E850 WeakPolarHBondContact O-CB 3.46Å; K846-E850 WeakPolarHBondContact O-CG 3.41Å; K846-E850 PolarHBondContact O-N 3.47Å; K846-L877 HydrophobicContact CG-CD1 4.09Å
847Q90.9Very high89.8Confident120 Ų12067.6 Ų67.656%0.56134%0.335SS*.Hα-helixtrans-59.6-41.6178-71.4174.5-3.300112.4E843 K844 E850 S851E843-Q847 WeakPolarHBondContact O-CG 3.47Å; E843-Q847 PolarHBondContact O-N 3.31Å; K844-Q847 PolarHBondContact O-N 3.1Å; Q847-E850 PolarHBondContact O-N 3.25Å; Q847-S851 WeakPolarHBondContact O-CB 3.18Å; Q847-S851 PolarHBondContact O-N 3.04Å; Q847-S851 PolarHBondContact O-OG 3.18Å
848V90.4Very high90.2Very high39 Ų3967.1 Ų67.124%0.23633%0.334CS..Hα-helixtrans-61.8-45.6175.9170.60000110.8K844 T845 K846 S851 H852 V858 M860 F878K844-V848 WeakPolarHBondContact O-CG2 3.49Å; K844-V848 PolarHBondContact O-N 3.15Å; T845-V848 PolarHBondContact O-N 3.37Å; K846-V848 VanDerWaalsContact C-N 3.32Å; K846-V848 PolarHBondContact O-N 3.23Å; V848-S851 PolarHBondContact O-N 3.44Å; V848-H852 PolarHBondContact O-N 3.38Å; V848-V858 HydrophobicContact CG1-CG1 4.36Å; V848-M860 HydrophobicContact CG2-CE 4.24Å; V848-M860 HydrophobicContact CG2-SD 4.36Å; V848-F878 HydrophobicContact CG1-CE1 4.32Å; V848-F878 HydrophobicContact CG1-CZ 4.08Å
849I91.7Very high90.4Very high6 Ų667.2 Ų67.23%0.03134%0.335CS..Hα-helixtrans-62.9-45.8177.9-68.1166.6000111.5T845 K846 S851 H852 P853 L877 F878 Q881T845-I849 HydrophobicContact CG2-CD1 3.9Å; T845-I849 WeakPolarHBondContact O-CG1 3.5Å; T845-I849 PolarHBondContact O-N 3.23Å; T845-I849 VanDerWaalsContact O-N 3.09Å; K846-I849 PolarHBondContact O-N 3.42Å; K846-I849 VanDerWaalsContact O-N 3.17Å; I849-S851 VanDerWaalsContact C-N 3.33Å; I849-S851 PolarHBondContact O-N 3.4Å; I849-H852 CarbonylContact O-C 3.36Å; I849-H852 PolarHBondContact O-N 3.02Å; I849-P853 VanDerWaalsContact O-CA 3.32Å; I849-P853 WeakPolarHBondContact O-CA 3.45Å; I849-P853 VanDerWaalsContact O-N 3.1Å; I849-L877 HydrophobicContact CD1-CB 4.02Å; I849-F878 HydrophobicContact CD1-CD1 3.8Å; I849-F878 HydrophobicContact CD1-CD2 4.37Å; I849-F878 HydrophobicContact CD1-CE1 4.01Å; I849-F878 HydrophobicContact CD1-CG 3.98Å; I849-F878 HydrophobicContact CD1-CZ 4.4Å; I849-F878 HydrophobicContact CG1-CD1 3.51Å; I849-F878 HydrophobicContact CG1-CE1 3.37Å; I849-F878 HydrophobicContact CG1-CG 4.21Å; I849-F878 HydrophobicContact CG1-CZ 3.97Å; I849-Q881 HydrophobicContact CG2-CB 3.82Å
850E90.9Very high90.6Very high141 Ų14162.4 Ų62.466%0.65931%0.314SS*.Hα-helixtrans-65.9-35.5-179-74.4170.8-176.500112.4K846 Q847K846-E850 WeakPolarHBondContact O-CB 3.46Å; K846-E850 WeakPolarHBondContact O-CG 3.41Å; K846-E850 PolarHBondContact O-N 3.47Å; Q847-E850 PolarHBondContact O-N 3.25Å
851S89.6Confident90.7Very high82 Ų8261.4 Ų61.457%0.57331%0.314SS*.Hα-helixtrans-72.3-32.8-179.9-56.40000112.5Q847 V848 I849Q847-S851 WeakPolarHBondContact O-CB 3.18Å; Q847-S851 PolarHBondContact O-N 3.04Å; Q847-S851 PolarHBondContact O-OG 3.18Å; V848-S851 PolarHBondContact O-N 3.44Å; I849-S851 VanDerWaalsContact C-N 3.33Å; I849-S851 PolarHBondContact O-N 3.4Å
852H87.3Confident90.7Very high115 Ų11561.4 Ų61.453%0.53231%0.314SS..SBendtrans-142.869.3-176.4-5792.2000111.7V848 I849 N854 Q855V848-H852 PolarHBondContact O-N 3.38Å; I849-H852 CarbonylContact O-C 3.36Å; I849-H852 PolarHBondContact O-N 3.02Å; H852-N854 PolarHBondContact O-N 2.72Å; H852-Q855 HydrophobicContact CB-CB 4.17Å; H852-Q855 PolarHBondContact O-N 3.06Å
853P86.1Confident90.6Very high87 Ų8762.7 Ų62.757%0.56532%0.319SS*.THydrogen-bonded Turntrans-64.2134.7-177.125.8-33.9000111I849 Q855I849-P853 VanDerWaalsContact O-CA 3.32Å; I849-P853 WeakPolarHBondContact O-CA 3.45Å; I849-P853 VanDerWaalsContact O-N 3.1Å; P853-Q855 PolarHBondContact O-N 3.28Å
854N87.8Confident90.3Very high60 Ų6062 Ų6232%0.32132%0.319SS..THydrogen-bonded Turntrans57.729.4-177.8-63.8-58.6000114.8H852 S882 P883 Q884H852-N854 PolarHBondContact O-N 2.72Å; N854-S882 VanDerWaalsContact CA-OG 3.23Å; N854-S882 WeakPolarHBondContact CA-OG 3.06Å; N854-S882 PolarHBondContact N-OG 2.79Å; N854-S882 WeakPolarHBondContact OD1-CA 3.21Å; N854-P883 VanDerWaalsContact OD1-CD 3.29Å; N854-P883 WeakPolarHBondContact OD1-CD 3.38Å; N854-Q884 HydrophobicContact CB-CB 4.1Å; N854-Q884 HydrophobicContact CB-CG 4.48Å; N854-Q884 PolarHBondContact OD1-N 2.76Å
855Q88.6Confident89.8Confident80 Ų8058.7 Ų58.737%0.37431%0.31SS..  trans-54.5135.5168.2-172.3175.512.200110H852 P853 L857 V858 T885H852-Q855 HydrophobicContact CB-CB 4.17Å; H852-Q855 PolarHBondContact O-N 3.06Å; P853-Q855 PolarHBondContact O-N 3.28Å; Q855-L857 PolarHBondContact O-N 2.74Å; Q855-V858 HydrophobicContact CB-CG2 4.47Å; Q855-T885 VanDerWaalsContact O-CA 3.27Å; Q855-T885 WeakPolarHBondContact O-CA 3.49Å; Q855-T885 WeakPolarHBondContact O-CB 3.39Å; Q855-T885 VanDerWaalsContact O-CG2 3.22Å; Q855-T885 WeakPolarHBondContact O-CG2 3.3Å; Q855-T885 PolarHBondContact O-OG1 3.47Å
856P87.4Confident89.7Confident67 Ų6759 Ų5944%0.43531%0.313SS..SBendtrans-58.7-33.6-173.8-28.335.1000114.8A886 L966P856-A886 PolarHBondContact O-N 3.18Å; P856-A886 VanDerWaalsContact O-N 3.09Å; P856-L966 HydrophobicContact CG-CD2 4.49Å
857L92.3Very high89.5Confident23 Ų2357 Ų5712%0.1231%0.31CS..EExtended strand (participates in β ladder)trans-145.4129.1-172.6-177.267.7000110.5Q855 I859 A886 W919 A959 L963Q855-L857 PolarHBondContact O-N 2.74Å; L857-I859 HydrophobicContact CD1-CD1 4.23Å; L857-I859 HydrophobicContact CD1-CG1 4.13Å; L857-I859 HydrophobicContact CD2-CD1 4.01Å; L857-I859 HydrophobicContact CG-CD1 4.16Å; L857-I859 HydrophobicContact CG-CG1 4.15Å; L857-A886 CarbonylContact C-O 2.98Å; L857-A886 WeakPolarHBondContact CA-O 3.23Å; L857-A886 HydrophobicContact CD1-CB 4.17Å; L857-W919 HydrophobicContact CD1-CH2 3.54Å; L857-W919 HydrophobicContact CD1-CZ2 3.79Å; L857-A959 HydrophobicContact CD1-CB 3.64Å; L857-A959 HydrophobicContact CD2-CB 3.56Å; L857-A959 HydrophobicContact CG-CB 4.26Å; L857-L963 HydrophobicContact CB-CD1 4.46Å; L857-L963 HydrophobicContact CD1-CD1 4.49Å
858V94.1Very high89.3Confident11 Ų1153.5 Ų53.57%0.06730%0.302CS..EExtended strand (participates in β ladder)trans-127.1121.5171.1172.90000109.1V848 Q855 M860 F878 T885 A886 T887 M888V848-V858 HydrophobicContact CG1-CG1 4.36Å; Q855-V858 HydrophobicContact CB-CG2 4.47Å; V858-M860 HydrophobicContact CG1-CG 4.25Å; V858-M860 HydrophobicContact CG1-SD 4.2Å; V858-F878 HydrophobicContact CB-CE1 4.36Å; V858-F878 HydrophobicContact CG1-CE1 4.19Å; V858-F878 HydrophobicContact CG1-CZ 3.9Å; V858-F878 HydrophobicContact CG2-CE1 4.18Å; V858-T885 HydrophobicContact CB-CG2 3.88Å; V858-T885 HydrophobicContact CG2-CG2 3.52Å; V858-A886 PolarHBondContact N-O 3.12Å; V858-T887 HydrophobicContact CB-CG2 4.27Å; V858-T887 HydrophobicContact CG1-CG2 4.24Å; V858-T887 CarbonylContact O-C 3.59Å; V858-T887 VanDerWaalsContact O-CA 3.24Å; V858-T887 WeakPolarHBondContact O-CA 3.49Å; V858-M888 PolarHBondContact O-N 3.07Å
859I94.1Very high89.3Confident36 Ų3657.8 Ų57.819%0.18532%0.317CS..EExtended strand (participates in β ladder)trans-129.3119.5173.4-54.1167.9000106.2L857 M888 F890 W919 L952 A955 T956L857-I859 HydrophobicContact CD1-CD1 4.23Å; L857-I859 HydrophobicContact CD1-CG1 4.13Å; L857-I859 HydrophobicContact CD2-CD1 4.01Å; L857-I859 HydrophobicContact CG-CD1 4.16Å; L857-I859 HydrophobicContact CG-CG1 4.15Å; I859-M888 VanDerWaalsContact CA-O 3.31Å; I859-M888 WeakPolarHBondContact CA-O 3.38Å; I859-M888 HydrophobicContact CG1-CB 4.46Å; I859-M888 HydrophobicContact CG2-CB 4.48Å; I859-F890 HydrophobicContact CG2-CD2 4.37Å; I859-F890 HydrophobicContact CG2-CE2 3.95Å; I859-W919 HydrophobicContact CD1-CH2 4.49Å; I859-W919 HydrophobicContact CD1-CZ2 3.68Å; I859-W919 HydrophobicContact CG1-CH2 4.07Å; I859-W919 HydrophobicContact CG1-CZ2 3.68Å; I859-L952 HydrophobicContact CG2-CD2 3.74Å; I859-A955 HydrophobicContact CD1-CB 4.1Å; I859-A955 HydrophobicContact CG2-CB 4.09Å; I859-T956 WeakPolarHBondContact CD1-OG1 3.32Å
860M92.4Very high89.2Confident24 Ų2457.5 Ų57.512%0.11832%0.316CS..EExtended strand (participates in β ladder)trans-146.9148.7-174.563.8179.1-62.600113.2K844 V848 V858 M862 F878 M888 L889 F890K844-M860 HydrophobicContact CD-CE 4.07Å; K844-M860 HydrophobicContact CG-CE 4.29Å; V848-M860 HydrophobicContact CG2-CE 4.24Å; V848-M860 HydrophobicContact CG2-SD 4.36Å; V858-M860 HydrophobicContact CG1-CG 4.25Å; V858-M860 HydrophobicContact CG1-SD 4.2Å; M860-M862 HydrophobicContact CE-SD 3.45Å; M860-M862 WeakPolarHBondContact CE-SD 3.49Å; M860-M862 HydrophobicContact CG-SD 3.97Å; M860-M862 HydrophobicContact SD-SD 3.81Å; M860-F878 HydrophobicContact SD-CZ 4.5Å; M860-M888 PolarHBondContact N-O 2.97Å; M860-M888 VanDerWaalsContact N-O 3.13Å; M860-L889 HydrophobicContact CG-CD2 3.34Å; M860-L889 HydrophobicContact SD-CD2 3.84Å; M860-F890 PolarHBondContact O-N 2.79Å
861E93.5Very high89.3Confident89 Ų8950.8 Ų50.842%0.41629%0.285SS..EExtended strand (participates in β ladder)trans-78.6124.5162.5177.4-179.2-174.800110K844 L948 L952K844-E861 PolarHBondContact NZ-O 2.97Å; E861-L948 HydrophobicContact CB-CD2 4.46Å; E861-L948 HydrophobicContact CG-CD2 3.82Å; E861-L948 VanDerWaalsContact OE1-CD2 3.23Å; E861-L948 WeakPolarHBondContact OE1-CD2 3.34Å; E861-L952 HydrophobicContact CB-CD1 4.32Å
862M92Very high89.5Confident1 Ų150.1 Ų50.11%0.00528%0.275CS..PPolyproline II helixtrans-85.6159.7169.3-57.3-55.6-104.500109.8V841 T845 M860 N864 A866 L871 S874 L889 F890 A891V841-M862 HydrophobicContact CG1-CB 4.42Å; V841-M862 HydrophobicContact CG1-CE 3.3Å; V841-M862 HydrophobicContact CG1-SD 4.41Å; T845-M862 WeakPolarHBondContact OG1-CE 3.31Å; M860-M862 HydrophobicContact CE-SD 3.45Å; M860-M862 WeakPolarHBondContact CE-SD 3.49Å; M860-M862 HydrophobicContact CG-SD 3.97Å; M860-M862 HydrophobicContact SD-SD 3.81Å; M862-N864 PolarHBondContact O-N 3.15Å; M862-A866 HydrophobicContact CB-CB 4.18Å; M862-L871 HydrophobicContact CB-CD2 4.27Å; M862-L871 HydrophobicContact CG-CD2 3.61Å; M862-S874 WeakPolarHBondContact CE-OG 3.37Å; M862-L889 HydrophobicContact CE-CD1 3.95Å; M862-L889 HydrophobicContact CE-CD2 4.41Å; M862-L889 HydrophobicContact CG-CB 4.08Å; M862-L889 HydrophobicContact SD-CD2 4.09Å; M862-F890 WeakPolarHBondContact CB-O 3.42Å; M862-F890 PolarHBondContact N-O 2.79Å; M862-A891 HydrophobicContact CB-CB 4.4Å
863E87.8Confident89.8Confident63 Ų6347.5 Ų47.529%0.29426%0.263SS..PPolyproline II helixtrans-50.7139.3-179.4-165.8179.115800112.3R840 V841 G865 A866R840-E863 VanDerWaalsContact CB-OE2 3.22Å; R840-E863 WeakPolarHBondContact CB-OE2 3.25Å; R840-E863 IonicContact CZ-OE1 2.76Å; R840-E863 IonicContact CZ-OE2 3.58Å; R840-E863 IonicContact NE-OE1 2.7Å; R840-E863 PolarHBondContact NE-OE1 2.91Å; R840-E863 IonicContact NE-OE2 3.15Å; R840-E863 PolarHBondContact NE-OE2 3.45Å; R840-E863 IonicContact NH2-OE1 3.67Å; R840-E863 PolarHBondContact NH2-OE1 2.52Å; R840-E863 IonicContact NH2-OE2 3.34Å; V841-E863 HydrophobicContact CG2-CB 3.81Å; E863-G865 PolarHBondContact O-N 2.79Å; E863-A866 WeakPolarHBondContact O-CB 3.25Å; E863-A866 PolarHBondContact O-N 3.06Å
864N85Confident90.2Very high75 Ų7543.4 Ų43.440%0.40124%0.236SC..THydrogen-bonded Turntrans-53.5134.2176.1179.727.6000110.6M862 V892 N894M862-N864 PolarHBondContact O-N 3.15Å; N864-V892 CarbonylContact C-O 3.55Å; N864-V892 WeakPolarHBondContact CA-O 3.29Å; N864-V892 PolarHBondContact OD1-O 3.25Å; N864-N894 PolarHBondContact ND2-ND2 3.42Å; N864-N894 PolarHBondContact OD1-N 3.31Å; N864-N894 PolarHBondContact OD1-ND2 3.04Å
865G80.9Confident90.5Very high21 Ų2140.8 Ų40.822%0.21622%0.222CC..THydrogen-bonded Turntrans82.34.5-175.300000114.9E863 S867 V892E863-G865 PolarHBondContact O-N 2.79Å; G865-S867 PolarHBondContact O-N 2.95Å; G865-V892 PolarHBondContact N-O 3.4Å
866A88.2Confident90.7Very high8 Ų843.3 Ų43.37%0.06623%0.232CC..  trans-63.1126.9175.100000111.9I837 V841 M862 E863 A891I837-A866 HydrophobicContact CG2-CB 4.23Å; V841-A866 HydrophobicContact CG2-CB 3.7Å; M862-A866 HydrophobicContact CB-CB 4.18Å; E863-A866 WeakPolarHBondContact O-CB 3.25Å; E863-A866 PolarHBondContact O-N 3.06Å; A866-A891 HydrophobicContact CB-CB 3.84Å; A866-A891 WeakPolarHBondContact O-CB 3.29Å
867S88.3Confident91Very high49 Ų4941.7 Ų41.734%0.34322%0.219SC..  trans-76.8158.5-179.270.80000112.7G865 K869 A870 L871G865-S867 PolarHBondContact O-N 2.95Å; S867-K869 PolarHBondContact O-N 2.63Å; S867-K869 VanDerWaalsContact O-N 3.1Å; S867-K869 PolarHBondContact OG-N 2.94Å; S867-A870 WeakPolarHBondContact O-CB 3.4Å; S867-A870 PolarHBondContact O-N 2.84Å; S867-A870 PolarHBondContact OG-N 3.42Å; S867-L871 PolarHBondContact O-N 2.9Å
868A88Confident91.1Very high47 Ų4740.8 Ų40.839%0.38822%0.215SC..Hα-helixtrans-55.2-27.9170.900000113.2N872A868-N872 WeakPolarHBondContact O-CB 3.11Å; A868-N872 PolarHBondContact O-N 3.14Å; A868-N872 PolarHBondContact O-ND2 3.34Å
869K89.3Confident90.9Very high128 Ų12846.9 Ų46.956%0.55724%0.24SC*.Hα-helixtrans-66.9-46.5173.4-173.6-174.9177.8-169.30111.3S867 L871 N872 E873S867-K869 PolarHBondContact O-N 2.63Å; S867-K869 VanDerWaalsContact O-N 3.1Å; S867-K869 PolarHBondContact OG-N 2.94Å; K869-L871 VanDerWaalsContact C-N 3.33Å; K869-L871 PolarHBondContact O-N 3.17Å; K869-N872 PolarHBondContact O-N 2.9Å; K869-E873 VanDerWaalsContact CE-OE1 3.28Å; K869-E873 WeakPolarHBondContact CE-OE1 3.06Å; K869-E873 PolarHBondContact O-N 3.48Å
870A90.6Very high90.8Very high0 Ų050.3 Ų50.30%026%0.263CS..Hα-helixtrans-62.2-41.2177.600000111.8Q838 V841 S867 E873 S874Q838-A870 HydrophobicContact CB-CB 4.11Å; Q838-A870 HydrophobicContact CG-CB 3.85Å; V841-A870 HydrophobicContact CB-CB 4.46Å; V841-A870 HydrophobicContact CG1-CB 4.08Å; S867-A870 WeakPolarHBondContact O-CB 3.4Å; S867-A870 PolarHBondContact O-N 2.84Å; S867-A870 PolarHBondContact OG-N 3.42Å; A870-E873 PolarHBondContact O-N 3.34Å; A870-S874 WeakPolarHBondContact O-CB 3.38Å; A870-S874 PolarHBondContact O-N 3.15Å; A870-S874 PolarHBondContact O-OG 3Å
871L93.2Very high90.8Very high0 Ų053.4 Ų53.40%028%0.277CS..Hα-helixtrans-61-47.7174.5-72.3160.1000112M862 S867 K869 E873 S874 L875 L889 A891 T900 L902M862-L871 HydrophobicContact CB-CD2 4.27Å; M862-L871 HydrophobicContact CG-CD2 3.61Å; S867-L871 PolarHBondContact O-N 2.9Å; K869-L871 VanDerWaalsContact C-N 3.33Å; K869-L871 PolarHBondContact O-N 3.17Å; L871-E873 PolarHBondContact O-N 2.69Å; L871-S874 WeakPolarHBondContact O-CB 3.43Å; L871-S874 PolarHBondContact O-N 3Å; L871-L875 WeakPolarHBondContact O-CG 3.31Å; L871-L875 PolarHBondContact O-N 3.07Å; L871-L889 HydrophobicContact CD2-CB 3.34Å; L871-L889 HydrophobicContact CD2-CD1 4.17Å; L871-L889 HydrophobicContact CD2-CG 4.41Å; L871-A891 HydrophobicContact CD1-CB 3.77Å; L871-A891 HydrophobicContact CD2-CB 4.32Å; L871-A891 HydrophobicContact CG-CB 4.34Å; L871-T900 HydrophobicContact CD1-CG2 3.99Å; L871-L902 HydrophobicContact CB-CB 4.32Å; L871-L902 HydrophobicContact CB-CD1 4.34Å; L871-L902 HydrophobicContact CB-CD2 3.93Å; L871-L902 HydrophobicContact CB-CG 4.43Å; L871-L902 HydrophobicContact CD1-CD1 4.07Å
872N92.8Very high90.8Very high69 Ų6949.2 Ų49.237%0.36926%0.258SS..Hα-helixtrans-61.3-42.6177.4-88.7-59000113.1A868 K869 S874 L875 K876 L902A868-N872 WeakPolarHBondContact O-CB 3.11Å; A868-N872 PolarHBondContact O-N 3.14Å; A868-N872 PolarHBondContact O-ND2 3.34Å; K869-N872 PolarHBondContact O-N 2.9Å; N872-S874 VanDerWaalsContact C-N 3.33Å; N872-L875 PolarHBondContact O-N 3.03Å; N872-K876 WeakPolarHBondContact O-CG 3.44Å; N872-K876 PolarHBondContact O-N 3.06Å; N872-L902 HydrophobicContact CB-CD2 4.24Å; N872-L902 VanDerWaalsContact ND2-CD2 3.28Å; N872-L902 WeakPolarHBondContact ND2-CD2 3.29Å; N872-L902 WeakPolarHBondContact OD1-CD2 2.96Å
873E93.1Very high90.7Very high60 Ų6052.7 Ų52.728%0.2828%0.28SS..Hα-helixtrans-66.9-36.4176.8-74.3178.3-166.300111.8Q838 L842 K869 A870 L871 K876 L877Q838-E873 PolarHBondContact NE2-OE1 3.03Å; Q838-E873 VanDerWaalsContact NE2-OE1 3.13Å; Q838-E873 PolarHBondContact NE2-OE2 3.38Å; L842-E873 WeakPolarHBondContact CD1-OE2 3.49Å; L842-E873 HydrophobicContact CD2-CB 3.73Å; K869-E873 VanDerWaalsContact CE-OE1 3.28Å; K869-E873 WeakPolarHBondContact CE-OE1 3.06Å; K869-E873 PolarHBondContact O-N 3.48Å; A870-E873 PolarHBondContact O-N 3.34Å; L871-E873 PolarHBondContact O-N 2.69Å; E873-K876 WeakPolarHBondContact O-CB 3.44Å; E873-K876 PolarHBondContact O-N 2.81Å; E873-L877 PolarHBondContact O-N 3.09Å
874S94.6Very high90.9Very high0 Ų055.8 Ų55.80%030%0.295CS..Hα-helixtrans-62.5-45.3173.3-57.30000111.4T845 M862 A870 L871 N872 K876 L877 F878T845-S874 WeakPolarHBondContact OG1-CB 3.38Å; T845-S874 PolarHBondContact OG1-OG 2.84Å; M862-S874 WeakPolarHBondContact CE-OG 3.37Å; A870-S874 WeakPolarHBondContact O-CB 3.38Å; A870-S874 PolarHBondContact O-N 3.15Å; A870-S874 PolarHBondContact O-OG 3Å; L871-S874 WeakPolarHBondContact O-CB 3.43Å; L871-S874 PolarHBondContact O-N 3Å; N872-S874 VanDerWaalsContact C-N 3.33Å; S874-K876 VanDerWaalsContact C-N 3.31Å; S874-K876 PolarHBondContact O-N 2.66Å; S874-L877 WeakPolarHBondContact O-CB 3.4Å; S874-L877 PolarHBondContact O-N 2.63Å; S874-L877 VanDerWaalsContact O-N 3.1Å; S874-F878 VanDerWaalsContact O-CD2 3.3Å; S874-F878 WeakPolarHBondContact O-CD2 3.4Å; S874-F878 PolarHBondContact O-N 2.75Å
875L94.3Very high91.2Very high6 Ų652.5 Ų52.53%0.03128%0.277CS..Hα-helixtrans-61.5-36.5174.2-70.1178.4000112.8L871 N872 L877 F878 K879 T887 L889 L902 Q904L871-L875 WeakPolarHBondContact O-CG 3.31Å; L871-L875 PolarHBondContact O-N 3.07Å; N872-L875 PolarHBondContact O-N 3.03Å; L875-L877 VanDerWaalsContact C-N 3.34Å; L875-L877 PolarHBondContact O-N 2.78Å; L875-F878 PolarHBondContact O-N 2.75Å; L875-K879 PolarHBondContact O-N 2.56Å; L875-T887 HydrophobicContact CD2-CG2 3.72Å; L875-L889 HydrophobicContact CD2-CD1 3.82Å; L875-L889 HydrophobicContact CD2-CG 3.89Å; L875-L889 HydrophobicContact CG-CD1 3.91Å; L875-L889 HydrophobicContact CG-CG 4.41Å; L875-L902 HydrophobicContact CD1-CB 3.69Å; L875-L902 HydrophobicContact CD1-CD2 4.45Å; L875-Q904 HydrophobicContact CB-CB 4.38Å; L875-Q904 HydrophobicContact CD1-CB 4.24Å; L875-Q904 HydrophobicContact CD2-CB 3.99Å; L875-Q904 HydrophobicContact CG-CB 4.45Å; L875-Q904 PolarHBondContact O-OE1 3.49Å
876K93.4Very high91.9Very high132 Ų13251.5 Ų51.557%0.57427%0.267SS*.Hα-helixtrans-63.8-37.3173.1-73.1175.7-177.6178.10112.4N872 E873 S874 K879 T880N872-K876 WeakPolarHBondContact O-CG 3.44Å; N872-K876 PolarHBondContact O-N 3.06Å; E873-K876 WeakPolarHBondContact O-CB 3.44Å; E873-K876 PolarHBondContact O-N 2.81Å; S874-K876 VanDerWaalsContact C-N 3.31Å; S874-K876 PolarHBondContact O-N 2.66Å; K876-K879 WeakPolarHBondContact O-CB 3.35Å; K876-K879 PolarHBondContact O-N 2.62Å; K876-T880 WeakPolarHBondContact O-CB 3.31Å; K876-T880 PolarHBondContact O-N 3.09Å; K876-T880 VanDerWaalsContact O-N 3.11Å; K876-T880 PolarHBondContact O-OG1 2.9Å
877L93.4Very high92.3Very high34 Ų3451.2 Ų51.218%0.17826%0.264CS..Hα-helixtrans-62.7-48.5173.7-70.8173.9000110.8L842 T845 K846 I849 E873 S874 L875 K879 T880 Q881L842-L877 HydrophobicContact CB-CD1 4.47Å; L842-L877 HydrophobicContact CD2-CD1 3.8Å; T845-L877 HydrophobicContact CG2-CB 4.11Å; T845-L877 HydrophobicContact CG2-CD1 4.09Å; K846-L877 HydrophobicContact CG-CD1 4.09Å; I849-L877 HydrophobicContact CD1-CB 4.02Å; E873-L877 PolarHBondContact O-N 3.09Å; S874-L877 WeakPolarHBondContact O-CB 3.4Å; S874-L877 PolarHBondContact O-N 2.63Å; S874-L877 VanDerWaalsContact O-N 3.1Å; L875-L877 VanDerWaalsContact C-N 3.34Å; L875-L877 PolarHBondContact O-N 2.78Å; L877-K879 VanDerWaalsContact C-N 3.33Å; L877-K879 PolarHBondContact O-N 3.13Å; L877-T880 PolarHBondContact O-N 2.62Å; L877-T880 VanDerWaalsContact O-N 3.11Å; L877-Q881 WeakPolarHBondContact O-CB 3.45Å; L877-Q881 PolarHBondContact O-N 3.08Å
878F93.6Very high92.7Very high4 Ų448.9 Ų48.92%0.01825%0.248CC..Hα-helixtrans-56.1-46.2173.9-80.3-73.4000111.8T845 V848 I849 V858 M860 S874 L875 T880 S882 T885 T887 L889T845-F878 HydrophobicContact CG2-CD2 3.84Å; T845-F878 HydrophobicContact CG2-CE2 3.48Å; T845-F878 VanDerWaalsContact CG2-CE2 3.48Å; T845-F878 HydrophobicContact CG2-CZ 4.09Å; V848-F878 HydrophobicContact CG1-CE1 4.32Å; V848-F878 HydrophobicContact CG1-CZ 4.08Å; I849-F878 HydrophobicContact CD1-CD1 3.8Å; I849-F878 HydrophobicContact CD1-CD2 4.37Å; I849-F878 HydrophobicContact CD1-CE1 4.01Å; I849-F878 HydrophobicContact CD1-CG 3.98Å; I849-F878 HydrophobicContact CD1-CZ 4.4Å; I849-F878 HydrophobicContact CG1-CD1 3.51Å; I849-F878 HydrophobicContact CG1-CE1 3.37Å; I849-F878 HydrophobicContact CG1-CG 4.21Å; I849-F878 HydrophobicContact CG1-CZ 3.97Å; V858-F878 HydrophobicContact CB-CE1 4.36Å; V858-F878 HydrophobicContact CG1-CE1 4.19Å; V858-F878 HydrophobicContact CG1-CZ 3.9Å; V858-F878 HydrophobicContact CG2-CE1 4.18Å; M860-F878 HydrophobicContact SD-CZ 4.5Å; S874-F878 VanDerWaalsContact O-CD2 3.3Å; S874-F878 WeakPolarHBondContact O-CD2 3.4Å; S874-F878 PolarHBondContact O-N 2.75Å; L875-F878 PolarHBondContact O-N 2.75Å; F878-T880 PolarHBondContact O-N 2.91Å; F878-S882 CarbonylContact O-C 3.52Å; F878-S882 VanDerWaalsContact O-CA 3.23Å; F878-S882 WeakPolarHBondContact O-CA 3.39Å; F878-S882 PolarHBondContact O-N 3.31Å; F878-T885 HydrophobicContact CD1-CG2 4.25Å; F878-T887 HydrophobicContact CD1-CG2 4.48Å; F878-T887 HydrophobicContact CD2-CG2 3.68Å; F878-T887 HydrophobicContact CE2-CG2 3.78Å; F878-T887 HydrophobicContact CG-CG2 4.06Å; F878-T887 HydrophobicContact CZ-CG2 4.27Å; F878-L889 HydrophobicContact CE2-CD2 4.21Å
879K91Very high93.1Very high138 Ų13846.6 Ų46.660%0.623%0.23SC*.Hα-helixtrans-55.5-38.9176.9-168-179.4-167.8175.10113.4L875 K876 L877 Q904L875-K879 PolarHBondContact O-N 2.56Å; K876-K879 WeakPolarHBondContact O-CB 3.35Å; K876-K879 PolarHBondContact O-N 2.62Å; L877-K879 VanDerWaalsContact C-N 3.33Å; L877-K879 PolarHBondContact O-N 3.13Å; K879-Q904 VanDerWaalsContact CB-NE2 3.31Å
880T91.9Very high93.4Very high109 Ų10940.5 Ų40.567%0.66920%0.203SC*.Hα-helixtrans-89-41.2-169.9-50.50000111.7K876 L877 F878K876-T880 WeakPolarHBondContact O-CB 3.31Å; K876-T880 PolarHBondContact O-N 3.09Å; K876-T880 VanDerWaalsContact O-N 3.11Å; K876-T880 PolarHBondContact O-OG1 2.9Å; L877-T880 PolarHBondContact O-N 2.62Å; L877-T880 VanDerWaalsContact O-N 3.11Å; F878-T880 PolarHBondContact O-N 2.91Å
881Q92.8Very high93.5Very high89 Ų8940.6 Ų40.642%0.41620%0.204SC..Hα-helixtrans-102.5-19.2-172.3-61-177.44.900113.1I849 L877I849-Q881 HydrophobicContact CG2-CB 3.82Å; L877-Q881 WeakPolarHBondContact O-CB 3.45Å; L877-Q881 PolarHBondContact O-N 3.08Å
882S92.1Very high93.5Very high1 Ų141 Ų411%0.00721%0.206CC..  trans-137.358.4179.3-157.10000111.3N854 F878 Q884 T885N854-S882 VanDerWaalsContact CA-OG 3.23Å; N854-S882 WeakPolarHBondContact CA-OG 3.06Å; N854-S882 PolarHBondContact N-OG 2.79Å; N854-S882 WeakPolarHBondContact OD1-CA 3.21Å; F878-S882 CarbonylContact O-C 3.52Å; F878-S882 VanDerWaalsContact O-CA 3.23Å; F878-S882 WeakPolarHBondContact O-CA 3.39Å; F878-S882 PolarHBondContact O-N 3.31Å; S882-Q884 PolarHBondContact O-N 3.17Å; S882-T885 WeakPolarHBondContact O-CB 3.13Å; S882-T885 PolarHBondContact O-N 2.75Å; S882-T885 PolarHBondContact O-OG1 2.8Å; S882-T885 PolarHBondContact OG-OG1 2.96Å
883P91.1Very high93.2Very high73 Ų7340.3 Ų40.347%0.47420%0.202SC..THydrogen-bonded Turntrans-62.5-14.9-166.725.5-36.6000115.1N854 P906N854-P883 VanDerWaalsContact OD1-CD 3.29Å; N854-P883 WeakPolarHBondContact OD1-CD 3.38Å; P883-P906 WeakPolarHBondContact O-CB 3.17Å; P883-P906 WeakPolarHBondContact O-CG 3.33Å
884Q90.4Very high92.6Very high128 Ų12842.2 Ų42.260%0.59821%0.214SC*.THydrogen-bonded Turntrans-91.4-4.7177.8-57.2-173.811.500113.7N854 S882N854-Q884 HydrophobicContact CB-CB 4.1Å; N854-Q884 HydrophobicContact CB-CG 4.48Å; N854-Q884 PolarHBondContact OD1-N 2.76Å; S882-Q884 PolarHBondContact O-N 3.17Å
885T93.1Very high91.7Very high7 Ų749.1 Ų49.14%0.04325%0.247CC..  trans-86.9120.3-175.5-58.20000112.2Q855 V858 F878 S882 T887 P906Q855-T885 VanDerWaalsContact O-CA 3.27Å; Q855-T885 WeakPolarHBondContact O-CA 3.49Å; Q855-T885 WeakPolarHBondContact O-CB 3.39Å; Q855-T885 VanDerWaalsContact O-CG2 3.22Å; Q855-T885 WeakPolarHBondContact O-CG2 3.3Å; Q855-T885 PolarHBondContact O-OG1 3.47Å; V858-T885 HydrophobicContact CB-CG2 3.88Å; V858-T885 HydrophobicContact CG2-CG2 3.52Å; F878-T885 HydrophobicContact CD1-CG2 4.25Å; S882-T885 WeakPolarHBondContact O-CB 3.13Å; S882-T885 PolarHBondContact O-N 2.75Å; S882-T885 PolarHBondContact O-OG1 2.8Å; S882-T885 PolarHBondContact OG-OG1 2.96Å; T885-T887 WeakPolarHBondContact CG2-OG1 3.36Å; T885-P906 WeakPolarHBondContact O-CD 3.38Å; T885-P906 WeakPolarHBondContact O-CG 3.32Å
886A94.6Very high91Very high0 Ų051.5 Ų51.50%027%0.267CS..EExtended strand (participates in β ladder)trans-75.4123.7162.600000109.4P856 L857 V858 V905 T909 L914 W919P856-A886 PolarHBondContact O-N 3.18Å; P856-A886 VanDerWaalsContact O-N 3.09Å; L857-A886 CarbonylContact C-O 2.98Å; L857-A886 WeakPolarHBondContact CA-O 3.23Å; L857-A886 HydrophobicContact CD1-CB 4.17Å; V858-A886 PolarHBondContact N-O 3.12Å; A886-V905 HydrophobicContact CB-CG1 4.14Å; A886-V905 HydrophobicContact CB-CG2 4.43Å; A886-T909 HydrophobicContact CB-CG2 4.15Å; A886-L914 HydrophobicContact CB-CD2 3.97Å; A886-W919 HydrophobicContact CB-CZ3 4.4Å
887T96.1Very high90.6Very high1 Ų146.8 Ų46.81%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-124.5133.7-171.6-490000111.5V858 L875 F878 T885 L889 C903 Q904V858-T887 HydrophobicContact CB-CG2 4.27Å; V858-T887 HydrophobicContact CG1-CG2 4.24Å; V858-T887 CarbonylContact O-C 3.59Å; V858-T887 VanDerWaalsContact O-CA 3.24Å; V858-T887 WeakPolarHBondContact O-CA 3.49Å; L875-T887 HydrophobicContact CD2-CG2 3.72Å; F878-T887 HydrophobicContact CD1-CG2 4.48Å; F878-T887 HydrophobicContact CD2-CG2 3.68Å; F878-T887 HydrophobicContact CE2-CG2 3.78Å; F878-T887 HydrophobicContact CG-CG2 4.06Å; F878-T887 HydrophobicContact CZ-CG2 4.27Å; T885-T887 WeakPolarHBondContact CG2-OG1 3.36Å; T887-L889 HydrophobicContact CG2-CD2 3.59Å; T887-L889 HydrophobicContact CG2-CG 3.89Å; T887-C903 CarbonylContact O-C 3.6Å; T887-C903 WeakPolarHBondContact O-CA 3.34Å; T887-C903 WeakPolarHBondContact O-CB 3.22Å; T887-Q904 PolarHBondContact N-O 2.66Å; T887-Q904 PolarHBondContact O-N 3.04Å
888M96.6Very high90.5Very high0 Ų051.8 Ų51.80%027%0.272CS..EExtended strand (participates in β ladder)trans-129.6124.9166.5-179175.1-82.300109.9V858 I859 M860 F890 C901 C903 W919 V920 V923 A955V858-M888 PolarHBondContact O-N 3.07Å; I859-M888 VanDerWaalsContact CA-O 3.31Å; I859-M888 WeakPolarHBondContact CA-O 3.38Å; I859-M888 HydrophobicContact CG1-CB 4.46Å; I859-M888 HydrophobicContact CG2-CB 4.48Å; M860-M888 PolarHBondContact N-O 2.97Å; M860-M888 VanDerWaalsContact N-O 3.13Å; M888-F890 HydrophobicContact CG-CD2 4.25Å; M888-F890 HydrophobicContact CG-CE2 3.57Å; M888-F890 HydrophobicContact CG-CZ 4Å; M888-F890 HydrophobicContact SD-CE2 3.56Å; M888-F890 VanDerWaalsContact SD-CE2 3.56Å; M888-F890 HydrophobicContact SD-CZ 3.49Å; M888-F890 WeakPolarHBondContact SD-CZ 3.48Å; M888-C901 WeakPolarHBondContact CG-SG 3.09Å; M888-C903 HydrophobicContact CB-CB 3.87Å; M888-C903 HydrophobicContact CE-CB 3.7Å; M888-C903 HydrophobicContact CG-CB 3.96Å; M888-W919 HydrophobicContact CB-CE3 4.34Å; M888-W919 HydrophobicContact CB-CH2 3.46Å; M888-W919 VanDerWaalsContact CB-CH2 3.46Å; M888-W919 HydrophobicContact CB-CZ2 3.68Å; M888-W919 HydrophobicContact CB-CZ3 3.81Å; M888-W919 HydrophobicContact CE-CB 4.03Å; M888-W919 HydrophobicContact CE-CD2 3.38Å; M888-W919 HydrophobicContact CE-CE3 3.85Å; M888-W919 HydrophobicContact CE-CG 3.43Å; M888-W919 VanDerWaalsContact CE-CG 3.43Å; M888-W919 HydrophobicContact CE-CZ2 4.38Å; M888-W919 HydrophobicContact SD-CD2 4.27Å; M888-W919 HydrophobicContact SD-CZ2 4.26Å; M888-V920 HydrophobicContact CE-CG2 3.8Å; M888-V923 HydrophobicContact CE-CG2 4.4Å; M888-V923 HydrophobicContact SD-CG2 4.34Å; M888-A955 HydrophobicContact SD-CB 3.61Å
889L96.3Very high90.6Very high0 Ų051.6 Ų51.60%027%0.272CS..EExtended strand (participates in β ladder)trans-116130.5-176-54.7-179.1000109.5M860 M862 L871 L875 F878 T887 C901 L902M860-L889 HydrophobicContact CG-CD2 3.34Å; M860-L889 HydrophobicContact SD-CD2 3.84Å; M862-L889 HydrophobicContact CE-CD1 3.95Å; M862-L889 HydrophobicContact CE-CD2 4.41Å; M862-L889 HydrophobicContact CG-CB 4.08Å; M862-L889 HydrophobicContact SD-CD2 4.09Å; L871-L889 HydrophobicContact CD2-CB 3.34Å; L871-L889 HydrophobicContact CD2-CD1 4.17Å; L871-L889 HydrophobicContact CD2-CG 4.41Å; L875-L889 HydrophobicContact CD2-CD1 3.82Å; L875-L889 HydrophobicContact CD2-CG 3.89Å; L875-L889 HydrophobicContact CG-CD1 3.91Å; L875-L889 HydrophobicContact CG-CG 4.41Å; F878-L889 HydrophobicContact CE2-CD2 4.21Å; T887-L889 HydrophobicContact CG2-CD2 3.59Å; T887-L889 HydrophobicContact CG2-CG 3.89Å; L889-C901 WeakPolarHBondContact O-CA 3.29Å; L889-L902 PolarHBondContact N-O 3.3Å; L889-L902 PolarHBondContact O-N 3.1Å
890F95.8Very high90.7Very high0 Ų045.8 Ų45.80%025%0.248CC..EExtended strand (participates in β ladder)trans-109140.8174.3-67.4-95.6000110.1I859 M860 M862 M888 I899 T900 C901 V923 M927 L948 A951 L952 A955I859-F890 HydrophobicContact CG2-CD2 4.37Å; I859-F890 HydrophobicContact CG2-CE2 3.95Å; M860-F890 PolarHBondContact O-N 2.79Å; M862-F890 WeakPolarHBondContact CB-O 3.42Å; M862-F890 PolarHBondContact N-O 2.79Å; M888-F890 HydrophobicContact CG-CD2 4.25Å; M888-F890 HydrophobicContact CG-CE2 3.57Å; M888-F890 HydrophobicContact CG-CZ 4Å; M888-F890 HydrophobicContact SD-CE2 3.56Å; M888-F890 VanDerWaalsContact SD-CE2 3.56Å; M888-F890 HydrophobicContact SD-CZ 3.49Å; M888-F890 WeakPolarHBondContact SD-CZ 3.48Å; F890-I899 HydrophobicContact CD1-CD1 4.4Å; F890-T900 CarbonylContact C-O 3.57Å; F890-T900 WeakPolarHBondContact CA-O 3.46Å; F890-C901 HydrophobicContact CD1-CB 3.66Å; F890-C901 HydrophobicContact CE1-CB 3.57Å; F890-C901 VanDerWaalsContact CE1-SG 3.56Å; F890-C901 HydrophobicContact CG-CB 4.42Å; F890-C901 HydrophobicContact CZ-CB 4.27Å; F890-V923 HydrophobicContact CE1-CB 4.44Å; F890-V923 HydrophobicContact CE1-CG2 4.3Å; F890-V923 HydrophobicContact CZ-CB 4.38Å; F890-V923 HydrophobicContact CZ-CG1 4.23Å; F890-V923 HydrophobicContact CZ-CG2 4.23Å; F890-M927 HydrophobicContact CE1-SD 4.17Å; F890-L948 HydrophobicContact CB-CD1 3.63Å; F890-L948 HydrophobicContact CD1-CD1 4.3Å; F890-L948 HydrophobicContact CG-CD1 4.1Å; F890-A951 HydrophobicContact CD1-CB 4.48Å; F890-A951 HydrophobicContact CE1-CB 3.84Å; F890-A951 HydrophobicContact CZ-CB 4.23Å; F890-L952 HydrophobicContact CD2-CD2 3.5Å; F890-L952 HydrophobicContact CD2-CG 4.38Å; F890-L952 HydrophobicContact CE2-CD2 3.91Å; F890-L952 HydrophobicContact CG-CD2 4.24Å; F890-A955 HydrophobicContact CE2-CB 4.2Å; F890-A955 HydrophobicContact CZ-CB 4.19Å
891A93.9Very high90.9Very high2 Ų240.6 Ų40.62%0.01722%0.216CC..EExtended strand (participates in β ladder)trans-133132.2165.500000109.7M862 A866 L871 T900M862-A891 HydrophobicContact CB-CB 4.4Å; A866-A891 HydrophobicContact CB-CB 3.84Å; A866-A891 WeakPolarHBondContact O-CB 3.29Å; L871-A891 HydrophobicContact CD1-CB 3.77Å; L871-A891 HydrophobicContact CD2-CB 4.32Å; L871-A891 HydrophobicContact CG-CB 4.34Å; A891-T900 PolarHBondContact N-O 2.92Å; A891-T900 PolarHBondContact O-N 3.35Å
892V92.1Very high91Very high7 Ų736.6 Ų36.64%0.04220%0.197CC..EExtended strand (participates in β ladder)trans-98.9137.5169176.90000108.3N864 G865 N894 I899 V945 L948N864-V892 CarbonylContact C-O 3.55Å; N864-V892 WeakPolarHBondContact CA-O 3.29Å; N864-V892 PolarHBondContact OD1-O 3.25Å; G865-V892 PolarHBondContact N-O 3.4Å; V892-N894 VanDerWaalsContact CG1-OD1 3.26Å; V892-N894 WeakPolarHBondContact CG1-OD1 3.45Å; V892-I899 HydrophobicContact CG2-CB 4.29Å; V892-I899 HydrophobicContact CG2-CD1 3.97Å; V892-I899 HydrophobicContact CG2-CG1 3.92Å; V892-V945 HydrophobicContact CG1-CB 3.86Å; V892-V945 HydrophobicContact CG1-CG1 3.88Å; V892-L948 HydrophobicContact CG2-CB 4.25Å; V892-L948 HydrophobicContact CG2-CD1 4.16Å; V892-L948 HydrophobicContact CG2-CD2 3.74Å; V892-L948 HydrophobicContact CG2-CG 4.28Å
893D87Confident91.2Very high55 Ų5536.6 Ų36.629%0.29420%0.197SC..EExtended strand (participates in β ladder)trans-114.293.6164.5-176.3-19.6000106.7E895 A896 G897 R898D893-E895 PolarHBondContact O-N 3.42Å; D893-E895 PolarHBondContact OD1-N 3.11Å; D893-E895 VanDerWaalsContact OD1-N 3.13Å; D893-A896 HydrophobicContact CB-CB 4.05Å; D893-A896 PolarHBondContact O-N 3.18Å; D893-A896 PolarHBondContact OD1-N 3.23Å; D893-A896 VanDerWaalsContact OD2-CB 3.31Å; D893-A896 WeakPolarHBondContact OD2-CB 3.27Å; D893-G897 PolarHBondContact O-N 3.13Å; D893-R898 PolarHBondContact N-O 3.26Å; D893-R898 PolarHBondContact O-N 3.09Å; D893-R898 VanDerWaalsContact O-N 3.08Å
894N81.7Confident91.4Very high100 Ų10034.9 Ų34.954%0.53518%0.183SC..THydrogen-bonded Turntrans-62-29-178.4-76.6-44.2000111.9N864 V892N864-N894 PolarHBondContact ND2-ND2 3.42Å; N864-N894 PolarHBondContact OD1-N 3.31Å; N864-N894 PolarHBondContact OD1-ND2 3.04Å; V892-N894 VanDerWaalsContact CG1-OD1 3.26Å; V892-N894 WeakPolarHBondContact CG1-OD1 3.45Å
895E74.9Confident91.6Very high146 Ų14628.9 Ų28.968%0.68216%0.155SC*.THydrogen-bonded Turntrans-80.9-30.5-179.7-57-170.5173.700113.1K789 D893K789-E895 WeakPolarHBondContact CE-OE2 3.4Å; K789-E895 VanDerWaalsContact NZ-CB 3.3Å; K789-E895 IonicContact NZ-OE2 3.95Å; K789-E895 PolarHBondContact NZ-OE2 2.83Å; D893-E895 PolarHBondContact O-N 3.42Å; D893-E895 PolarHBondContact OD1-N 3.11Å; D893-E895 VanDerWaalsContact OD1-N 3.13Å
896A78.7Confident91.6Very high55 Ų5529.5 Ų29.546%0.45516%0.159SC..THydrogen-bonded Turntrans-88.7-4173.900000113.1D893 R898D893-A896 HydrophobicContact CB-CB 4.05Å; D893-A896 PolarHBondContact O-N 3.18Å; D893-A896 PolarHBondContact OD1-N 3.23Å; D893-A896 VanDerWaalsContact OD2-CB 3.31Å; D893-A896 WeakPolarHBondContact OD2-CB 3.27Å; A896-R898 VanDerWaalsContact C-N 3.28Å; A896-R898 HydrophobicContact CB-CB 4.29Å; A896-R898 PolarHBondContact O-N 3.45Å
897G86Confident91.5Very high33 Ų3335 Ų3534%0.3419%0.185SC..THydrogen-bonded Turntrans58.739.4-17600000112.2D893 V945D893-G897 PolarHBondContact O-N 3.13Å; G897-V945 VanDerWaalsContact C-CG1 3.47Å
898R91.8Very high91.1Very high139 Ų13940.2 Ų40.253%0.52521%0.209SC..EExtended strand (participates in β ladder)trans-131.7135.6-170.4-173.4-177.9-69-167.14.4111.5D893 A896 T941 G942 V945D893-R898 PolarHBondContact N-O 3.26Å; D893-R898 PolarHBondContact O-N 3.09Å; D893-R898 VanDerWaalsContact O-N 3.08Å; A896-R898 VanDerWaalsContact C-N 3.28Å; A896-R898 HydrophobicContact CB-CB 4.29Å; A896-R898 PolarHBondContact O-N 3.45Å; R898-T941 VanDerWaalsContact CD-CG2 3.47Å; R898-T941 HydrophobicContact CG-CG2 3.47Å; R898-T941 VanDerWaalsContact CG-CG2 3.47Å; R898-G942 WeakPolarHBondContact CA-O 3.39Å; R898-V945 VanDerWaalsContact N-CG1 3.33Å
899I94.2Very high90.7Very high0 Ų040.9 Ų40.90%021%0.214CC..EExtended strand (participates in β ladder)trans-113.3134.6169-175.3171000109.3F890 V892 M927 T941 G942 V945 L948F890-I899 HydrophobicContact CD1-CD1 4.4Å; V892-I899 HydrophobicContact CG2-CB 4.29Å; V892-I899 HydrophobicContact CG2-CD1 3.97Å; V892-I899 HydrophobicContact CG2-CG1 3.92Å; I899-M927 HydrophobicContact CB-CE 4.33Å; I899-M927 HydrophobicContact CD1-CG 4.31Å; I899-M927 HydrophobicContact CG1-CE 4.06Å; I899-M927 HydrophobicContact CG2-CB 3.91Å; I899-M927 HydrophobicContact CG2-CE 3.83Å; I899-M927 HydrophobicContact CG2-CG 3.92Å; I899-M927 VanDerWaalsContact O-CE 3.3Å; I899-M927 WeakPolarHBondContact O-CE 3.5Å; I899-T941 WeakPolarHBondContact O-CA 3.36Å; I899-G942 PolarHBondContact N-O 3.1Å; I899-G942 PolarHBondContact O-N 2.83Å; I899-V945 HydrophobicContact CB-CG1 4.43Å; I899-L948 HydrophobicContact CD1-CB 4.24Å; I899-L948 HydrophobicContact CD1-CD1 3.89Å
900T94.3Very high90.4Very high17 Ų1741.7 Ų41.710%0.10422%0.218CC..EExtended strand (participates in β ladder)trans-125135.7-179.8-56.90000109.6L871 F890 A891 L902 A940L871-T900 HydrophobicContact CD1-CG2 3.99Å; F890-T900 CarbonylContact C-O 3.57Å; F890-T900 WeakPolarHBondContact CA-O 3.46Å; A891-T900 PolarHBondContact N-O 2.92Å; A891-T900 PolarHBondContact O-N 3.35Å; T900-L902 HydrophobicContact CG2-CD1 3.44Å; T900-L902 VanDerWaalsContact CG2-CD1 3.44Å; T900-A940 WeakPolarHBondContact CA-O 3.35Å
901C95.2Very high90Very high0 Ų048.5 Ų48.50%025%0.248CC..EExtended strand (participates in β ladder)trans-126.7127.9176.1175.90000109.5M888 L889 F890 M927 Q939 A940M888-C901 WeakPolarHBondContact CG-SG 3.09Å; L889-C901 WeakPolarHBondContact O-CA 3.29Å; F890-C901 HydrophobicContact CD1-CB 3.66Å; F890-C901 HydrophobicContact CE1-CB 3.57Å; F890-C901 VanDerWaalsContact CE1-SG 3.56Å; F890-C901 HydrophobicContact CG-CB 4.42Å; F890-C901 HydrophobicContact CZ-CB 4.27Å; C901-M927 HydrophobicContact CB-CE 3.94Å; C901-M927 HydrophobicContact CB-SD 3.9Å; C901-Q939 CarbonylContact O-C 3.58Å; C901-Q939 VanDerWaalsContact O-CA 3.23Å; C901-Q939 WeakPolarHBondContact O-CA 3.21Å; C901-A940 PolarHBondContact N-O 2.9Å; C901-A940 PolarHBondContact O-N 3.16Å
902L96.4Very high89.6Confident4 Ų455.9 Ų55.92%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-124.7138.3172-86.272.8000108.7L871 N872 L875 L889 T900 Q939L871-L902 HydrophobicContact CB-CB 4.32Å; L871-L902 HydrophobicContact CB-CD1 4.34Å; L871-L902 HydrophobicContact CB-CD2 3.93Å; L871-L902 HydrophobicContact CB-CG 4.43Å; L871-L902 HydrophobicContact CD1-CD1 4.07Å; N872-L902 HydrophobicContact CB-CD2 4.24Å; N872-L902 VanDerWaalsContact ND2-CD2 3.28Å; N872-L902 WeakPolarHBondContact ND2-CD2 3.29Å; N872-L902 WeakPolarHBondContact OD1-CD2 2.96Å; L875-L902 HydrophobicContact CD1-CB 3.69Å; L875-L902 HydrophobicContact CD1-CD2 4.45Å; L889-L902 PolarHBondContact N-O 3.3Å; L889-L902 PolarHBondContact O-N 3.1Å; T900-L902 HydrophobicContact CG2-CD1 3.44Å; T900-L902 VanDerWaalsContact CG2-CD1 3.44Å; L902-Q939 HydrophobicContact CD1-CB 3.98Å; L902-Q939 HydrophobicContact CG-CB 3.78Å
903C95.4Very high89.3Confident1 Ų157 Ų571%0.00729%0.293CS..EExtended strand (participates in β ladder)trans-132.4156.1176.480.40000112.7T887 M888 A916 W919 V920 S937 A938T887-C903 CarbonylContact O-C 3.6Å; T887-C903 WeakPolarHBondContact O-CA 3.34Å; T887-C903 WeakPolarHBondContact O-CB 3.22Å; M888-C903 HydrophobicContact CB-CB 3.87Å; M888-C903 HydrophobicContact CE-CB 3.7Å; M888-C903 HydrophobicContact CG-CB 3.96Å; C903-A916 VanDerWaalsContact SG-CB 3.5Å; C903-A916 PolarHBondContact SG-O 2.9Å; C903-W919 HydrophobicContact CB-CE3 4.11Å; C903-W919 HydrophobicContact CB-CZ3 4.26Å; C903-V920 HydrophobicContact CB-CG2 4.15Å; C903-V920 WeakPolarHBondContact SG-CG2 3.49Å; C903-S937 WeakPolarHBondContact O-CA 3.27Å; C903-A938 PolarHBondContact N-O 3.12Å; C903-A938 PolarHBondContact O-N 3.19Å; C903-A938 VanDerWaalsContact O-N 3.16Å
904Q95.4Very high89.6Confident37 Ų3754.4 Ų54.417%0.17328%0.279CS..EExtended strand (participates in β ladder)trans-141.2131.8172.3-170.5177.2-31.900110L875 K879 T887 V936L875-Q904 HydrophobicContact CB-CB 4.38Å; L875-Q904 HydrophobicContact CD1-CB 4.24Å; L875-Q904 HydrophobicContact CD2-CB 3.99Å; L875-Q904 HydrophobicContact CG-CB 4.45Å; L875-Q904 PolarHBondContact O-OE1 3.49Å; K879-Q904 VanDerWaalsContact CB-NE2 3.31Å; T887-Q904 PolarHBondContact N-O 2.66Å; T887-Q904 PolarHBondContact O-N 3.04Å; Q904-V936 CarbonylContact C-O 3.58Å; Q904-V936 WeakPolarHBondContact CA-O 3.44Å; Q904-V936 WeakPolarHBondContact CG-O 3.31Å
905V95Very high90.2Very high2 Ų253 Ų531%0.01227%0.268CS..  trans-123.2127.4-179.1-173.70000109.8A886 T909 V910 L914 A916 W919 V936A886-V905 HydrophobicContact CB-CG1 4.14Å; A886-V905 HydrophobicContact CB-CG2 4.43Å; V905-T909 HydrophobicContact CG1-CG2 3.86Å; V905-V910 HydrophobicContact CB-CG2 4.07Å; V905-V910 HydrophobicContact CG1-CG2 3.81Å; V905-L914 HydrophobicContact CG1-CG 4.43Å; V905-L914 WeakPolarHBondContact CG1-O 2.99Å; V905-L914 HydrophobicContact CG2-CG 4.44Å; V905-A916 HydrophobicContact CB-CB 4.36Å; V905-A916 HydrophobicContact CG2-CB 3.84Å; V905-W919 HydrophobicContact CG2-CE3 3.8Å; V905-W919 HydrophobicContact CG2-CZ3 3.95Å; V905-V936 PolarHBondContact N-O 2.91Å
906P93.4Very high91.2Very high21 Ų2146 Ų4614%0.13624%0.235CC..  trans-59.6147.6175.4-24.333.1000112.5P883 T885 E908 T909 V910P883-P906 WeakPolarHBondContact O-CB 3.17Å; P883-P906 WeakPolarHBondContact O-CG 3.33Å; T885-P906 WeakPolarHBondContact O-CD 3.38Å; T885-P906 WeakPolarHBondContact O-CG 3.32Å; P906-E908 VanDerWaalsContact C-N 3.25Å; P906-E908 PolarHBondContact O-N 2.92Å; P906-T909 WeakPolarHBondContact O-CA 3.5Å; P906-T909 WeakPolarHBondContact O-CB 3.31Å; P906-T909 PolarHBondContact O-N 3.05Å; P906-V910 PolarHBondContact O-N 3.01Å
907Q92.1Very high91.9Very high114 Ų11444.8 Ų44.853%0.53322%0.223SC..Hα-helixtrans-57.1-38-176.9-164.37225.200112.9T909 V910 K911Q907-T909 VanDerWaalsContact C-N 3.32Å; Q907-V910 WeakPolarHBondContact O-CB 3.46Å; Q907-V910 PolarHBondContact O-N 2.97Å; Q907-K911 WeakPolarHBondContact O-CG 3.3Å; Q907-K911 PolarHBondContact O-N 3.14Å; Q907-K911 VanDerWaalsContact O-N 3.13Å
908E86.9Confident92.3Very high112 Ų11247.2 Ų47.252%0.52323%0.226SC..Hα-helixtrans-68.8-32.3177.5-63.5-52.1125.400112.2P906 K911 K912P906-E908 VanDerWaalsContact C-N 3.25Å; P906-E908 PolarHBondContact O-N 2.92Å; E908-K911 PolarHBondContact O-N 3.22Å; E908-K911 IonicContact OE1-NZ 3.22Å; E908-K911 PolarHBondContact OE1-NZ 3.18Å; E908-K911 IonicContact OE2-NZ 2.81Å; E908-K911 PolarHBondContact OE2-NZ 3.04Å; E908-K912 WeakPolarHBondContact O-CG 3.24Å; E908-K912 PolarHBondContact O-N 2.95Å
909T88.8Confident92.4Very high14 Ų1440.6 Ų40.69%0.08620%0.201CC..Hα-helixtrans-74.6-33.4175.6-48.50000111.6A886 V905 P906 Q907 K911 K912 G913 L914 L963A886-T909 HydrophobicContact CB-CG2 4.15Å; V905-T909 HydrophobicContact CG1-CG2 3.86Å; P906-T909 WeakPolarHBondContact O-CA 3.5Å; P906-T909 WeakPolarHBondContact O-CB 3.31Å; P906-T909 PolarHBondContact O-N 3.05Å; Q907-T909 VanDerWaalsContact C-N 3.32Å; T909-K911 VanDerWaalsContact C-N 3.34Å; T909-K912 WeakPolarHBondContact O-CB 3.38Å; T909-K912 PolarHBondContact O-N 2.83Å; T909-K912 VanDerWaalsContact O-N 3.12Å; T909-G913 PolarHBondContact O-N 3.1Å; T909-L914 HydrophobicContact CG2-CB 4.29Å; T909-L914 HydrophobicContact CG2-CD2 4.37Å; T909-L914 PolarHBondContact O-N 3.01Å; T909-L963 HydrophobicContact CG2-CD2 3.42Å; T909-L963 VanDerWaalsContact CG2-CD2 3.42Å
910V89.7Confident92.5Very high16 Ų1640.6 Ų40.610%0.09720%0.201CC..Hα-helixtrans-60.2-44169.8173.80000111.2V905 P906 Q907 K912 G913 L914 K915 D935 V936V905-V910 HydrophobicContact CB-CG2 4.07Å; V905-V910 HydrophobicContact CG1-CG2 3.81Å; P906-V910 PolarHBondContact O-N 3.01Å; Q907-V910 WeakPolarHBondContact O-CB 3.46Å; Q907-V910 PolarHBondContact O-N 2.97Å; V910-K912 PolarHBondContact O-N 2.84Å; V910-G913 PolarHBondContact O-N 3.13Å; V910-L914 WeakPolarHBondContact CA-O 3.36Å; V910-K915 HydrophobicContact CG1-CG 4.32Å; V910-D935 HydrophobicContact CG1-CB 3.95Å; V910-D935 VanDerWaalsContact CG2-O 3.25Å; V910-D935 WeakPolarHBondContact CG2-O 3.25Å; V910-V936 HydrophobicContact CG2-CG1 4.1Å
911K87.4Confident92.5Very high143 Ų14346.1 Ų46.162%0.62223%0.225SC*.Hα-helixtrans-62.8-27.9175.5-68.3173.2-174.9167.30112.7Q907 E908 T909 G913Q907-K911 WeakPolarHBondContact O-CG 3.3Å; Q907-K911 PolarHBondContact O-N 3.14Å; Q907-K911 VanDerWaalsContact O-N 3.13Å; E908-K911 PolarHBondContact O-N 3.22Å; E908-K911 IonicContact OE1-NZ 3.22Å; E908-K911 PolarHBondContact OE1-NZ 3.18Å; E908-K911 IonicContact OE2-NZ 2.81Å; E908-K911 PolarHBondContact OE2-NZ 3.04Å; T909-K911 VanDerWaalsContact C-N 3.34Å; K911-G913 VanDerWaalsContact C-N 3.28Å
912K84.4Confident92.3Very high157 Ų15750.4 Ų50.468%0.68325%0.246SC*.THydrogen-bonded Turntrans-78.6-7175.5-70.2177.6-179.4-1760113.9E908 T909 V910E908-K912 WeakPolarHBondContact O-CG 3.24Å; E908-K912 PolarHBondContact O-N 2.95Å; T909-K912 WeakPolarHBondContact O-CB 3.38Å; T909-K912 PolarHBondContact O-N 2.83Å; T909-K912 VanDerWaalsContact O-N 3.12Å; V910-K912 PolarHBondContact O-N 2.84Å
913G87.4Confident92.2Very high31 Ų3150.2 Ų50.232%0.3225%0.245SC..THydrogen-bonded Turntrans119.4-11.317000000115.6T909 V910 K911 K915T909-G913 PolarHBondContact O-N 3.1Å; V910-G913 PolarHBondContact O-N 3.13Å; K911-G913 VanDerWaalsContact C-N 3.28Å; G913-K915 PolarHBondContact O-N 3.02Å
914L93.1Very high92.1Very high0 Ų050.8 Ų50.80%025%0.249CC..  trans-89.6106.4178.7-178.361.8000110.9A886 V905 T909 V910 W919 F958 A959 H962 L963A886-L914 HydrophobicContact CB-CD2 3.97Å; V905-L914 HydrophobicContact CG1-CG 4.43Å; V905-L914 WeakPolarHBondContact CG1-O 2.99Å; V905-L914 HydrophobicContact CG2-CG 4.44Å; T909-L914 HydrophobicContact CG2-CB 4.29Å; T909-L914 HydrophobicContact CG2-CD2 4.37Å; T909-L914 PolarHBondContact O-N 3.01Å; V910-L914 WeakPolarHBondContact CA-O 3.36Å; L914-W919 HydrophobicContact CD1-CB 4.29Å; L914-W919 HydrophobicContact CD1-CD2 4.15Å; L914-W919 HydrophobicContact CD1-CE3 4.45Å; L914-W919 HydrophobicContact CD1-CG 4.1Å; L914-W919 HydrophobicContact CD2-CE3 4.32Å; L914-W919 HydrophobicContact CD2-CZ3 4.34Å; L914-W919 HydrophobicContact CG-CE3 4.5Å; L914-F958 HydrophobicContact CD1-CD1 3.95Å; L914-F958 HydrophobicContact CD1-CE1 3.92Å; L914-A959 HydrophobicContact CD1-CB 4.35Å; L914-A959 HydrophobicContact CD2-CB 4.13Å; L914-H962 HydrophobicContact CB-CB 4.25Å; L914-H962 HydrophobicContact CD1-CB 4.25Å; L914-L963 HydrophobicContact CB-CD2 4.05Å; L914-L963 HydrophobicContact CB-CG 4.48Å; L914-L963 HydrophobicContact CD2-CD1 4.08Å; L914-L963 HydrophobicContact CD2-CD2 4.26Å; L914-L963 HydrophobicContact CD2-CG 4.21Å
915K94.8Very high91.7Very high71 Ų7153 Ų5331%0.30927%0.273SS..  trans-99.3130.7176.1-63.7-176.9173.9-142.30111.7V910 G913 S917 Q918 W919 D935V910-K915 HydrophobicContact CG1-CG 4.32Å; G913-K915 PolarHBondContact O-N 3.02Å; K915-S917 VanDerWaalsContact C-N 3.33Å; K915-S917 PolarHBondContact O-N 2.94Å; K915-Q918 HydrophobicContact CB-CB 4.3Å; K915-Q918 HydrophobicContact CB-CG 4.19Å; K915-Q918 PolarHBondContact O-N 2.82Å; K915-W919 WeakPolarHBondContact O-CB 3.49Å; K915-W919 PolarHBondContact O-N 3.42Å; K915-D935 WeakPolarHBondContact CE-OD2 3.35Å; K915-D935 HydrophobicContact CG-CB 4.41Å; K915-D935 IonicContact NZ-OD1 2.97Å; K915-D935 IonicContact NZ-OD2 3.4Å; K915-D935 PolarHBondContact NZ-OD2 3.22Å
916A95.1Very high91.6Very high0 Ų055.2 Ų55.20%028%0.284CS..Hα-helixtrans-57.2-42.1179.500000113.3C903 V905 W919 V920 D935 S937 A938C903-A916 VanDerWaalsContact SG-CB 3.5Å; C903-A916 PolarHBondContact SG-O 2.9Å; V905-A916 HydrophobicContact CB-CB 4.36Å; V905-A916 HydrophobicContact CG2-CB 3.84Å; A916-W919 PolarHBondContact O-N 3.3Å; A916-V920 PolarHBondContact O-N 3.46Å; A916-D935 VanDerWaalsContact CB-O 3.24Å; A916-D935 WeakPolarHBondContact CB-O 3.25Å; A916-D935 PolarHBondContact N-O 3.46Å; A916-S937 VanDerWaalsContact CB-N 3.33Å; A916-A938 HydrophobicContact CB-CB 4.2Å; A916-A938 WeakPolarHBondContact O-CB 3.42Å
917S94.1Very high91.6Very high28 Ų2854.2 Ų54.220%0.19628%0.278CS..Hα-helixtrans-58.3-48.8177.749.10000112.5K915 Q921 K934 D935K915-S917 VanDerWaalsContact C-N 3.33Å; K915-S917 PolarHBondContact O-N 2.94Å; S917-Q921 WeakPolarHBondContact O-CB 3.49Å; S917-Q921 PolarHBondContact O-N 2.88Å; S917-K934 PolarHBondContact N-O 2.86Å; S917-D935 PolarHBondContact OG-OD1 2.75Å
918Q93.6Very high91.6Very high84 Ų8454 Ų5439%0.39328%0.28SS..Hα-helixtrans-68.4-41.3177.9-65.7176.6-31.700111.5K915 V920 Q921 E922 F958K915-Q918 HydrophobicContact CB-CB 4.3Å; K915-Q918 HydrophobicContact CB-CG 4.19Å; K915-Q918 PolarHBondContact O-N 2.82Å; Q918-V920 VanDerWaalsContact C-N 3.33Å; Q918-V920 PolarHBondContact O-N 2.87Å; Q918-Q921 WeakPolarHBondContact O-CB 3.37Å; Q918-Q921 PolarHBondContact O-N 3.43Å; Q918-E922 PolarHBondContact O-N 2.86Å; Q918-E922 VanDerWaalsContact O-N 3.08Å; Q918-F958 HydrophobicContact CB-CZ 4.04Å
919W94.5Very high91.6Very high0 Ų049.7 Ų49.70%027%0.266CS..Hα-helixtrans-62.1-40-179.9-166.120.1000112.5L857 I859 A886 M888 C903 V905 L914 K915 A916 A955 F958 A959L857-W919 HydrophobicContact CD1-CH2 3.54Å; L857-W919 HydrophobicContact CD1-CZ2 3.79Å; I859-W919 HydrophobicContact CD1-CH2 4.49Å; I859-W919 HydrophobicContact CD1-CZ2 3.68Å; I859-W919 HydrophobicContact CG1-CH2 4.07Å; I859-W919 HydrophobicContact CG1-CZ2 3.68Å; A886-W919 HydrophobicContact CB-CZ3 4.4Å; M888-W919 HydrophobicContact CB-CE3 4.34Å; M888-W919 HydrophobicContact CB-CH2 3.46Å; M888-W919 VanDerWaalsContact CB-CH2 3.46Å; M888-W919 HydrophobicContact CB-CZ2 3.68Å; M888-W919 HydrophobicContact CB-CZ3 3.81Å; M888-W919 HydrophobicContact CE-CB 4.03Å; M888-W919 HydrophobicContact CE-CD2 3.38Å; M888-W919 HydrophobicContact CE-CE3 3.85Å; M888-W919 HydrophobicContact CE-CG 3.43Å; M888-W919 VanDerWaalsContact CE-CG 3.43Å; M888-W919 HydrophobicContact CE-CZ2 4.38Å; M888-W919 HydrophobicContact SD-CD2 4.27Å; M888-W919 HydrophobicContact SD-CZ2 4.26Å; C903-W919 HydrophobicContact CB-CE3 4.11Å; C903-W919 HydrophobicContact CB-CZ3 4.26Å; V905-W919 HydrophobicContact CG2-CE3 3.8Å; V905-W919 HydrophobicContact CG2-CZ3 3.95Å; L914-W919 HydrophobicContact CD1-CB 4.29Å; L914-W919 HydrophobicContact CD1-CD2 4.15Å; L914-W919 HydrophobicContact CD1-CE3 4.45Å; L914-W919 HydrophobicContact CD1-CG 4.1Å; L914-W919 HydrophobicContact CD2-CE3 4.32Å; L914-W919 HydrophobicContact CD2-CZ3 4.34Å; L914-W919 HydrophobicContact CG-CE3 4.5Å; K915-W919 WeakPolarHBondContact O-CB 3.49Å; K915-W919 PolarHBondContact O-N 3.42Å; A916-W919 PolarHBondContact O-N 3.3Å; W919-A955 PolarHBondContact NE1-O 2.89Å; W919-F958 HydrophobicContact CB-CD1 4.2Å; W919-F958 HydrophobicContact CB-CE1 4.08Å; W919-F958 AromaticContact CD1-CD1 3.48Å; W919-F958 VanDerWaalsContact CD1-CD1 3.48Å; W919-F958 HydrophobicContact CG-CD1 4.04Å; W919-F958 HydrophobicContact CG-CE1 4.4Å; W919-A959 HydrophobicContact CZ2-CB 3.85Å
920V95.6Very high91.6Very high0 Ų058.4 Ų58.40%030%0.303CS..Hα-helixtrans-72.1-37.4173.9162.30000112.2M888 C903 A916 Q918 E922 V923 S924 A938 A940M888-V920 HydrophobicContact CE-CG2 3.8Å; C903-V920 HydrophobicContact CB-CG2 4.15Å; C903-V920 WeakPolarHBondContact SG-CG2 3.49Å; A916-V920 PolarHBondContact O-N 3.46Å; Q918-V920 VanDerWaalsContact C-N 3.33Å; Q918-V920 PolarHBondContact O-N 2.87Å; V920-E922 VanDerWaalsContact C-N 3.27Å; V920-E922 PolarHBondContact O-N 2.82Å; V920-V923 VanDerWaalsContact O-CG2 3.32Å; V920-V923 WeakPolarHBondContact O-CG2 3.27Å; V920-V923 PolarHBondContact O-N 2.78Å; V920-S924 VanDerWaalsContact O-CB 3.28Å; V920-S924 WeakPolarHBondContact O-CB 3.39Å; V920-S924 PolarHBondContact O-N 3.07Å; V920-A938 HydrophobicContact CB-CB 3.81Å; V920-A938 HydrophobicContact CG1-CB 4.28Å; V920-A938 HydrophobicContact CG2-CB 3.64Å; V920-A940 HydrophobicContact CG1-CB 3.61Å
921Q93.4Very high91.4Very high134 Ų13459.5 Ų59.563%0.62632%0.317SS*.Hα-helixtrans-59.5-41.6178.9-172.2173.1-1.100111.2S917 Q918 V923 S924S917-Q921 WeakPolarHBondContact O-CB 3.49Å; S917-Q921 PolarHBondContact O-N 2.88Å; Q918-Q921 WeakPolarHBondContact O-CB 3.37Å; Q918-Q921 PolarHBondContact O-N 3.43Å; Q921-V923 PolarHBondContact O-N 2.83Å; Q921-S924 WeakPolarHBondContact CA-OG 3.45Å; Q921-S924 PolarHBondContact O-N 3.03Å; Q921-S924 PolarHBondContact O-OG 3.18Å
922E92.3Very high91.5Very high90 Ų9054.9 Ų54.942%0.42131%0.31SS..Hα-helixtrans-58.4-43.8179-164.864.4-164.800112.6Q918 V920 L954 F958Q918-E922 PolarHBondContact O-N 2.86Å; Q918-E922 VanDerWaalsContact O-N 3.08Å; V920-E922 VanDerWaalsContact C-N 3.27Å; V920-E922 PolarHBondContact O-N 2.82Å; E922-L954 HydrophobicContact CG-CD1 4.1Å; E922-L954 HydrophobicContact CG-CD2 4.06Å; E922-L954 HydrophobicContact CG-CG 3.93Å; E922-L954 WeakPolarHBondContact O-CD2 3.37Å; E922-F958 HydrophobicContact CB-CD2 4.1Å; E922-F958 HydrophobicContact CB-CE2 4.34Å; E922-F958 HydrophobicContact CG-CD2 3.76Å; E922-F958 HydrophobicContact CG-CE2 4.32Å; E922-F958 HydrophobicContact CG-CG 4.4Å
923V93.9Very high91.8Very high0 Ų049.7 Ų49.70%030%0.301CS..Hα-helixtrans-83.7-22.8179.6-61.40000113.4M888 F890 V920 Q921 A925 L926 M927 L954 A955M888-V923 HydrophobicContact CE-CG2 4.4Å; M888-V923 HydrophobicContact SD-CG2 4.34Å; F890-V923 HydrophobicContact CE1-CB 4.44Å; F890-V923 HydrophobicContact CE1-CG2 4.3Å; F890-V923 HydrophobicContact CZ-CB 4.38Å; F890-V923 HydrophobicContact CZ-CG1 4.23Å; F890-V923 HydrophobicContact CZ-CG2 4.23Å; V920-V923 VanDerWaalsContact O-CG2 3.32Å; V920-V923 WeakPolarHBondContact O-CG2 3.27Å; V920-V923 PolarHBondContact O-N 2.78Å; Q921-V923 PolarHBondContact O-N 2.83Å; V923-A925 VanDerWaalsContact C-N 3.32Å; V923-A925 PolarHBondContact O-N 2.93Å; V923-L926 PolarHBondContact O-N 3.07Å; V923-M927 HydrophobicContact CG2-SD 4.32Å; V923-M927 WeakPolarHBondContact O-CG 3.46Å; V923-M927 PolarHBondContact O-N 2.94Å; V923-M927 VanDerWaalsContact O-N 3.15Å; V923-L954 HydrophobicContact CG1-CD2 4.45Å; V923-L954 HydrophobicContact CG1-CG 4.48Å; V923-A955 HydrophobicContact CG1-CB 3.98Å
924S92.8Very high92.1Very high13 Ų1355.8 Ų55.89%0.09132%0.319CS..Hα-helixtrans-64.3-34.4-176.269.60000113.7V920 Q921 M927 G929V920-S924 VanDerWaalsContact O-CB 3.28Å; V920-S924 WeakPolarHBondContact O-CB 3.39Å; V920-S924 PolarHBondContact O-N 3.07Å; Q921-S924 WeakPolarHBondContact CA-OG 3.45Å; Q921-S924 PolarHBondContact O-N 3.03Å; Q921-S924 PolarHBondContact O-OG 3.18Å; S924-M927 PolarHBondContact O-N 3.41Å; S924-G929 PolarHBondContact O-N 3.09Å
925A88.1Confident92.1Very high82 Ų8258.7 Ų58.768%0.67833%0.334SS*.Hα-helixtrans-65-41.8176.400000111.5V923 M927 D928V923-A925 VanDerWaalsContact C-N 3.32Å; V923-A925 PolarHBondContact O-N 2.93Å; A925-M927 VanDerWaalsContact C-N 3.31Å; A925-M927 PolarHBondContact O-N 2.87Å; A925-D928 PolarHBondContact O-N 3.24Å
926L92.4Very high92Very high49 Ų4957.5 Ų57.526%0.25733%0.333SS..Hα-helixtrans-67.1-34.8179.3-165.172.6000112.3V923 D928 N944 C947 Q950 A951 L954V923-L926 PolarHBondContact O-N 3.07Å; L926-D928 PolarHBondContact O-N 2.81Å; L926-N944 PolarHBondContact O-ND2 2.89Å; L926-C947 HydrophobicContact CD2-CB 4.11Å; L926-C947 HydrophobicContact CG-CB 3.88Å; L926-Q950 HydrophobicContact CD2-CB 3.59Å; L926-A951 HydrophobicContact CD2-CB 4.01Å; L926-L954 HydrophobicContact CD2-CD2 4.4Å
927M93.6Very high92.1Very high0 Ų060 Ų600%035%0.351CS..THydrogen-bonded Turntrans-71.6-4.7177.2-68.4167.558.700113.8F890 I899 C901 V923 S924 A925 G929 A940 G942 K943 N944F890-M927 HydrophobicContact CE1-SD 4.17Å; I899-M927 HydrophobicContact CB-CE 4.33Å; I899-M927 HydrophobicContact CD1-CG 4.31Å; I899-M927 HydrophobicContact CG1-CE 4.06Å; I899-M927 HydrophobicContact CG2-CB 3.91Å; I899-M927 HydrophobicContact CG2-CE 3.83Å; I899-M927 HydrophobicContact CG2-CG 3.92Å; I899-M927 VanDerWaalsContact O-CE 3.3Å; I899-M927 WeakPolarHBondContact O-CE 3.5Å; C901-M927 HydrophobicContact CB-CE 3.94Å; C901-M927 HydrophobicContact CB-SD 3.9Å; V923-M927 HydrophobicContact CG2-SD 4.32Å; V923-M927 WeakPolarHBondContact O-CG 3.46Å; V923-M927 PolarHBondContact O-N 2.94Å; V923-M927 VanDerWaalsContact O-N 3.15Å; S924-M927 PolarHBondContact O-N 3.41Å; A925-M927 VanDerWaalsContact C-N 3.31Å; A925-M927 PolarHBondContact O-N 2.87Å; M927-G929 VanDerWaalsContact C-N 3.29Å; M927-G929 PolarHBondContact O-N 3.07Å; M927-A940 HydrophobicContact CE-CB 4.27Å; M927-A940 HydrophobicContact SD-CB 4.49Å; M927-G942 CarbonylContact O-C 3.6Å; M927-G942 VanDerWaalsContact O-C 3.31Å; M927-G942 WeakPolarHBondContact O-CA 3.41Å; M927-K943 PolarHBondContact O-N 3.36Å; M927-N944 WeakPolarHBondContact O-CB 3.19Å; M927-N944 PolarHBondContact O-N 3.15Å
928D92.1Very high92.2Very high110 Ų11059.1 Ų59.159%0.58835%0.345SS*.THydrogen-bonded Turntrans49.853.9-166.1-175.435.7000110.5A925 L926 G942 K943 N944A925-D928 PolarHBondContact O-N 3.24Å; L926-D928 PolarHBondContact O-N 2.81Å; D928-G942 WeakPolarHBondContact O-CA 3.41Å; D928-K943 PolarHBondContact O-N 3.26Å; D928-N944 HydrophobicContact CB-CB 3.98Å
929G87.6Confident92.3Very high22 Ų2260 Ų6023%0.22735%0.349CS..EExtended strand (participates in β ladder)trans-136.5171.4-168.400000113.7S924 M927 T941S924-G929 PolarHBondContact O-N 3.09Å; M927-G929 VanDerWaalsContact C-N 3.29Å; M927-G929 PolarHBondContact O-N 3.07Å; G929-T941 WeakPolarHBondContact CA-O 3.3Å
930K87.5Confident92.3Very high197 Ų19760.1 Ų60.186%0.85735%0.35SS*.EExtended strand (participates in β ladder)trans-112.4131.4169.3-67.6-174.8179.8-178.60108.7T941K930-T941 PolarHBondContact N-O 3.26Å; K930-T941 PolarHBondContact O-N 3.41Å
931G86.4Confident92.3Very high39 Ų3962.9 Ų62.940%0.40237%0.367SS..EExtended strand (participates in β ladder)trans-123.4153.8178.900000112.4Q939G931-Q939 CarbonylContact C-O 3.5Å; G931-Q939 WeakPolarHBondContact CA-O 3.35Å
932G88.4Confident92.3Very high45 Ų4556.8 Ų56.846%0.46434%0.339SS..EExtended strand (participates in β ladder)trans-167.4157.4177.500000112.7Q939G932-Q939 PolarHBondContact N-O 2.8Å; G932-Q939 PolarHBondContact O-N 3.44Å
933G91.7Very high92.3Very high48 Ų4860.2 Ų60.250%0.49535%0.353SS..EExtended strand (participates in β ladder)trans168.6-173.9-179.300000114.3S937G933-S937 CarbonylContact C-O 3.59Å; G933-S937 WeakPolarHBondContact CA-O 3.25Å
934K93.2Very high92.3Very high159 Ų15963.5 Ų63.569%0.69137%0.371SS*.EExtended strand (participates in β ladder)trans-99170173.5-60.8-175.5179.9-178.30109.8S917 V936 S937S917-K934 PolarHBondContact N-O 2.86Å; K934-V936 PolarHBondContact O-N 2.92Å; K934-S937 PolarHBondContact N-O 3.48Å; K934-S937 CarbonylContact O-C 3.4Å; K934-S937 PolarHBondContact O-N 3.46Å; K934-S937 VanDerWaalsContact O-N 3.12Å
935D92.8Very high92.2Very high61 Ų6164.9 Ų64.933%0.32638%0.378SS..THydrogen-bonded Turntrans-57.9-24.2-179.5-73.24.4000114.1V910 K915 A916 S917V910-D935 HydrophobicContact CG1-CB 3.95Å; V910-D935 VanDerWaalsContact CG2-O 3.25Å; V910-D935 WeakPolarHBondContact CG2-O 3.25Å; K915-D935 WeakPolarHBondContact CE-OD2 3.35Å; K915-D935 HydrophobicContact CG-CB 4.41Å; K915-D935 IonicContact NZ-OD1 2.97Å; K915-D935 IonicContact NZ-OD2 3.4Å; K915-D935 PolarHBondContact NZ-OD2 3.22Å; A916-D935 VanDerWaalsContact CB-O 3.24Å; A916-D935 WeakPolarHBondContact CB-O 3.25Å; A916-D935 PolarHBondContact N-O 3.46Å; S917-D935 PolarHBondContact OG-OD1 2.75Å
936V94.2Very high92.4Very high46 Ų4664.2 Ų64.228%0.27938%0.379SS..THydrogen-bonded Turntrans-99-15.2179.5-65.80000114.9Q904 V905 V910 K934Q904-V936 CarbonylContact C-O 3.58Å; Q904-V936 WeakPolarHBondContact CA-O 3.44Å; Q904-V936 WeakPolarHBondContact CG-O 3.31Å; V905-V936 PolarHBondContact N-O 2.91Å; V910-V936 HydrophobicContact CG2-CG1 4.1Å; K934-V936 PolarHBondContact O-N 2.92Å
937S95.7Very high92.4Very high54 Ų5462 Ų6238%0.37837%0.368SS..EExtended strand (participates in β ladder)trans-160.5130.8-176.762.50000111.3C903 A916 G933 K934C903-S937 WeakPolarHBondContact O-CA 3.27Å; A916-S937 VanDerWaalsContact CB-N 3.33Å; G933-S937 CarbonylContact C-O 3.59Å; G933-S937 WeakPolarHBondContact CA-O 3.25Å; K934-S937 PolarHBondContact N-O 3.48Å; K934-S937 CarbonylContact O-C 3.4Å; K934-S937 PolarHBondContact O-N 3.46Å; K934-S937 VanDerWaalsContact O-N 3.12Å
938A96.2Very high92.4Very high8 Ų862.9 Ų62.97%0.06637%0.373CS..EExtended strand (participates in β ladder)trans-147.3164178.800000111.8C903 A916 V920C903-A938 PolarHBondContact N-O 3.12Å; C903-A938 PolarHBondContact O-N 3.19Å; C903-A938 VanDerWaalsContact O-N 3.16Å; A916-A938 HydrophobicContact CB-CB 4.2Å; A916-A938 WeakPolarHBondContact O-CB 3.42Å; V920-A938 HydrophobicContact CB-CB 3.81Å; V920-A938 HydrophobicContact CG1-CB 4.28Å; V920-A938 HydrophobicContact CG2-CB 3.64Å
939Q96.1Very high92.4Very high104 Ų10465.7 Ų65.749%0.48638%0.382SS..EExtended strand (participates in β ladder)trans-146.4151.5179.568.6-178.312.200112C901 L902 G931 G932C901-Q939 CarbonylContact O-C 3.58Å; C901-Q939 VanDerWaalsContact O-CA 3.23Å; C901-Q939 WeakPolarHBondContact O-CA 3.21Å; L902-Q939 HydrophobicContact CD1-CB 3.98Å; L902-Q939 HydrophobicContact CG-CB 3.78Å; G931-Q939 CarbonylContact C-O 3.5Å; G931-Q939 WeakPolarHBondContact CA-O 3.35Å; G932-Q939 PolarHBondContact N-O 2.8Å; G932-Q939 PolarHBondContact O-N 3.44Å
940A95.1Very high92.7Very high2 Ų270.5 Ų70.52%0.01740%0.399CS..EExtended strand (participates in β ladder)trans-140.2152.5172.100000111.5T900 C901 V920 M927T900-A940 WeakPolarHBondContact CA-O 3.35Å; C901-A940 PolarHBondContact N-O 2.9Å; C901-A940 PolarHBondContact O-N 3.16Å; V920-A940 HydrophobicContact CG1-CB 3.61Å; M927-A940 HydrophobicContact CE-CB 4.27Å; M927-A940 HydrophobicContact SD-CB 4.49Å
941T94.5Very high93Very high58 Ų5861.1 Ų61.136%0.35636%0.358SS..EExtended strand (participates in β ladder)trans-137.5135.9171.9-57.80000109R898 I899 G929 K930R898-T941 VanDerWaalsContact CD-CG2 3.47Å; R898-T941 HydrophobicContact CG-CG2 3.47Å; R898-T941 VanDerWaalsContact CG-CG2 3.47Å; I899-T941 WeakPolarHBondContact O-CA 3.36Å; G929-T941 WeakPolarHBondContact CA-O 3.3Å; K930-T941 PolarHBondContact N-O 3.26Å; K930-T941 PolarHBondContact O-N 3.41Å
942G93.6Very high93.3Very high5 Ų561 Ų615%0.05235%0.348CS..EExtended strand (participates in β ladder)trans-145.8173.4-178.800000113.1R898 I899 M927 D928R898-G942 WeakPolarHBondContact CA-O 3.39Å; I899-G942 PolarHBondContact N-O 3.1Å; I899-G942 PolarHBondContact O-N 2.83Å; M927-G942 CarbonylContact O-C 3.6Å; M927-G942 VanDerWaalsContact O-C 3.31Å; M927-G942 WeakPolarHBondContact O-CA 3.41Å; D928-G942 WeakPolarHBondContact O-CA 3.41Å
943K93.3Very high93.5Very high163 Ų16365.4 Ų65.471%0.70935%0.354SS*.SBendtrans-100.6-15.9-175.2-64.1-180-178.7177.60113.6M927 D928 V945M927-K943 PolarHBondContact O-N 3.36Å; D928-K943 PolarHBondContact O-N 3.26Å; K943-V945 PolarHBondContact O-N 2.81Å
944N93.3Very high93.6Very high69 Ų6965.6 Ų65.637%0.36934%0.344SS..  trans-82.178.8-178.5-1738.9000111.5L926 M927 D928 G946 C947L926-N944 PolarHBondContact O-ND2 2.89Å; M927-N944 WeakPolarHBondContact O-CB 3.19Å; M927-N944 PolarHBondContact O-N 3.15Å; D928-N944 HydrophobicContact CB-CB 3.98Å; N944-G946 VanDerWaalsContact C-N 3.27Å; N944-G946 PolarHBondContact O-N 3.29Å; N944-C947 PolarHBondContact O-N 2.82Å; N944-C947 PolarHBondContact O-SG 2.78Å
945V91.3Very high93.7Very high41 Ų4158 Ų5825%0.24831%0.311CS..G310 helixtrans-64.8-27.6-179.1-65.60000113.9V892 G897 R898 I899 K943 C947V892-V945 HydrophobicContact CG1-CB 3.86Å; V892-V945 HydrophobicContact CG1-CG1 3.88Å; G897-V945 VanDerWaalsContact C-CG1 3.47Å; R898-V945 VanDerWaalsContact N-CG1 3.33Å; I899-V945 HydrophobicContact CB-CG1 4.43Å; K943-V945 PolarHBondContact O-N 2.81Å; V945-C947 PolarHBondContact O-N 2.83Å
946G91.9Very high93.7Very high68 Ų6857 Ų5770%0.70131%0.307SS*.G310 helixtrans-71.4-8.9-17900000114.5N944 L948N944-G946 VanDerWaalsContact C-N 3.27Å; N944-G946 PolarHBondContact O-N 3.29Å; G946-L948 VanDerWaalsContact C-N 3.32Å; G946-L948 PolarHBondContact O-N 2.66Å
947C92.9Very high93.6Very high3 Ų358.7 Ų58.72%0.0231%0.314CS..G310 helixtrans-840.4-178.678.30000114.9L926 N944 V945 E949 Q950 A951L926-C947 HydrophobicContact CD2-CB 4.11Å; L926-C947 HydrophobicContact CG-CB 3.88Å; N944-C947 PolarHBondContact O-N 2.82Å; N944-C947 PolarHBondContact O-SG 2.78Å; V945-C947 PolarHBondContact O-N 2.83Å; C947-E949 PolarHBondContact O-N 2.83Å; C947-Q950 CarbonylContact O-C 3.52Å; C947-Q950 WeakPolarHBondContact O-CA 3.43Å; C947-Q950 WeakPolarHBondContact O-CB 3.4Å; C947-Q950 PolarHBondContact O-N 3.22Å; C947-A951 WeakPolarHBondContact O-CB 3.37Å; C947-A951 PolarHBondContact O-N 3.43Å
948L92.4Very high93.4Very high18 Ų1857.4 Ų57.49%0.09430%0.302CS..Hα-helixtrans-52.3-48.7-168.4-17962.3000113.8E861 F890 V892 I899 G946 Q950 A951 L952E861-L948 HydrophobicContact CB-CD2 4.46Å; E861-L948 HydrophobicContact CG-CD2 3.82Å; E861-L948 VanDerWaalsContact OE1-CD2 3.23Å; E861-L948 WeakPolarHBondContact OE1-CD2 3.34Å; F890-L948 HydrophobicContact CB-CD1 3.63Å; F890-L948 HydrophobicContact CD1-CD1 4.3Å; F890-L948 HydrophobicContact CG-CD1 4.1Å; V892-L948 HydrophobicContact CG2-CB 4.25Å; V892-L948 HydrophobicContact CG2-CD1 4.16Å; V892-L948 HydrophobicContact CG2-CD2 3.74Å; V892-L948 HydrophobicContact CG2-CG 4.28Å; I899-L948 HydrophobicContact CD1-CB 4.24Å; I899-L948 HydrophobicContact CD1-CD1 3.89Å; G946-L948 VanDerWaalsContact C-N 3.32Å; G946-L948 PolarHBondContact O-N 2.66Å; L948-Q950 VanDerWaalsContact C-N 3.33Å; L948-Q950 PolarHBondContact O-N 3.44Å; L948-A951 PolarHBondContact O-N 2.87Å; L948-L952 HydrophobicContact CD1-CD1 4.32Å; L948-L952 HydrophobicContact CD1-CG 4.29Å; L948-L952 HydrophobicContact CG-CD1 4.16Å; L948-L952 WeakPolarHBondContact O-CG 3.28Å; L948-L952 PolarHBondContact O-N 2.84Å
949E92.8Very high93.1Very high169 Ų16957 Ų5779%0.7930%0.299SS*.Hα-helixtrans-62.2-41.6178.6-68.8-171.8166.400112.2C947 A951 L952 K953C947-E949 PolarHBondContact O-N 2.83Å; E949-A951 VanDerWaalsContact C-N 3.34Å; E949-L952 PolarHBondContact O-N 3.25Å; E949-K953 WeakPolarHBondContact O-CB 3.29Å; E949-K953 PolarHBondContact O-N 2.86Å
950Q93.4Very high92.7Very high123 Ų12357.5 Ų57.558%0.57530%0.299SS*.Hα-helixtrans-67.7-37.6177.6-60.4177.4-1.800111L926 C947 L948 K953 L954L926-Q950 HydrophobicContact CD2-CB 3.59Å; C947-Q950 CarbonylContact O-C 3.52Å; C947-Q950 WeakPolarHBondContact O-CA 3.43Å; C947-Q950 WeakPolarHBondContact O-CB 3.4Å; C947-Q950 PolarHBondContact O-N 3.22Å; L948-Q950 VanDerWaalsContact C-N 3.33Å; L948-Q950 PolarHBondContact O-N 3.44Å; Q950-K953 PolarHBondContact O-N 2.77Å; Q950-L954 WeakPolarHBondContact O-CB 3.46Å; Q950-L954 PolarHBondContact O-N 3.34Å
951A93.3Very high92.3Very high0 Ų064 Ų640%033%0.333CS..Hα-helixtrans-68.2-41.9177.900000111.6F890 L926 C947 L948 E949 L954 A955F890-A951 HydrophobicContact CD1-CB 4.48Å; F890-A951 HydrophobicContact CE1-CB 3.84Å; F890-A951 HydrophobicContact CZ-CB 4.23Å; L926-A951 HydrophobicContact CD2-CB 4.01Å; C947-A951 WeakPolarHBondContact O-CB 3.37Å; C947-A951 PolarHBondContact O-N 3.43Å; L948-A951 PolarHBondContact O-N 2.87Å; E949-A951 VanDerWaalsContact C-N 3.34Å; A951-L954 PolarHBondContact O-N 3.29Å; A951-A955 VanDerWaalsContact O-CB 3.23Å; A951-A955 WeakPolarHBondContact O-CB 3.34Å; A951-A955 PolarHBondContact O-N 3.48Å
952L93.6Very high91.9Very high36 Ų3664 Ų6419%0.18833%0.329CS..Hα-helixtrans-61.4-44.2173.6-72.8169.5000111.3I859 E861 F890 L948 E949 T956I859-L952 HydrophobicContact CG2-CD2 3.74Å; E861-L952 HydrophobicContact CB-CD1 4.32Å; F890-L952 HydrophobicContact CD2-CD2 3.5Å; F890-L952 HydrophobicContact CD2-CG 4.38Å; F890-L952 HydrophobicContact CE2-CD2 3.91Å; F890-L952 HydrophobicContact CG-CD2 4.24Å; L948-L952 HydrophobicContact CD1-CD1 4.32Å; L948-L952 HydrophobicContact CD1-CG 4.29Å; L948-L952 HydrophobicContact CG-CD1 4.16Å; L948-L952 WeakPolarHBondContact O-CG 3.28Å; L948-L952 PolarHBondContact O-N 2.84Å; E949-L952 PolarHBondContact O-N 3.25Å; L952-T956 WeakPolarHBondContact O-CB 3.46Å; L952-T956 PolarHBondContact O-N 2.91Å; L952-T956 PolarHBondContact O-OG1 3.33Å
953K93.1Very high91.3Very high138 Ų13866.3 Ų66.360%0.634%0.34SS*.Hα-helixtrans-64.1-49.7177.1-174179.2179-175.90111.6E949 Q950 A955 T956 D957E949-K953 WeakPolarHBondContact O-CB 3.29Å; E949-K953 PolarHBondContact O-N 2.86Å; Q950-K953 PolarHBondContact O-N 2.77Å; K953-A955 VanDerWaalsContact C-N 3.35Å; K953-A955 PolarHBondContact O-N 2.8Å; K953-T956 WeakPolarHBondContact O-CA 3.38Å; K953-T956 WeakPolarHBondContact O-CB 3.38Å; K953-T956 PolarHBondContact O-N 2.93Å; K953-D957 PolarHBondContact O-N 3.07Å
954L93.9Very high90.1Very high52 Ų5260.5 Ų60.527%0.27233%0.326SS..Hα-helixtrans-60.6-43.7179.5-176.861.5000111.7E922 V923 L926 Q950 A951 T956 D957 F958E922-L954 HydrophobicContact CG-CD1 4.1Å; E922-L954 HydrophobicContact CG-CD2 4.06Å; E922-L954 HydrophobicContact CG-CG 3.93Å; E922-L954 WeakPolarHBondContact O-CD2 3.37Å; V923-L954 HydrophobicContact CG1-CD2 4.45Å; V923-L954 HydrophobicContact CG1-CG 4.48Å; L926-L954 HydrophobicContact CD2-CD2 4.4Å; Q950-L954 WeakPolarHBondContact O-CB 3.46Å; Q950-L954 PolarHBondContact O-N 3.34Å; A951-L954 PolarHBondContact O-N 3.29Å; L954-T956 VanDerWaalsContact C-N 3.26Å; L954-T956 PolarHBondContact O-N 3.02Å; L954-D957 PolarHBondContact O-N 2.8Å; L954-F958 VanDerWaalsContact O-CB 3.28Å; L954-F958 WeakPolarHBondContact O-CB 3.47Å; L954-F958 PolarHBondContact O-N 3Å
955A94.3Very high88Confident0 Ų064.3 Ų64.30%034%0.342CS..Hα-helixtrans-58.3-40.6173.300000111.8I859 M888 F890 W919 V923 A951 K953 A959I859-A955 HydrophobicContact CD1-CB 4.1Å; I859-A955 HydrophobicContact CG2-CB 4.09Å; M888-A955 HydrophobicContact SD-CB 3.61Å; F890-A955 HydrophobicContact CE2-CB 4.2Å; F890-A955 HydrophobicContact CZ-CB 4.19Å; W919-A955 PolarHBondContact NE1-O 2.89Å; V923-A955 HydrophobicContact CG1-CB 3.98Å; A951-A955 VanDerWaalsContact O-CB 3.23Å; A951-A955 WeakPolarHBondContact O-CB 3.34Å; A951-A955 PolarHBondContact O-N 3.48Å; K953-A955 VanDerWaalsContact C-N 3.35Å; K953-A955 PolarHBondContact O-N 2.8Å; A955-A959 WeakPolarHBondContact O-CB 3.37Å; A955-A959 PolarHBondContact O-N 3.31Å
956T92.6Very high85.9Confident39 Ų3968 Ų6824%0.23936%0.359CS..Hα-helixtrans-68-48.6-179.8-57.60000111.7I859 L952 K953 L954 F958 A959 K960I859-T956 WeakPolarHBondContact CD1-OG1 3.32Å; L952-T956 WeakPolarHBondContact O-CB 3.46Å; L952-T956 PolarHBondContact O-N 2.91Å; L952-T956 PolarHBondContact O-OG1 3.33Å; K953-T956 WeakPolarHBondContact O-CA 3.38Å; K953-T956 WeakPolarHBondContact O-CB 3.38Å; K953-T956 PolarHBondContact O-N 2.93Å; L954-T956 VanDerWaalsContact C-N 3.26Å; L954-T956 PolarHBondContact O-N 3.02Å; T956-F958 VanDerWaalsContact C-N 3.34Å; T956-F958 PolarHBondContact O-N 3.46Å; T956-A959 PolarHBondContact O-N 2.85Å; T956-K960 HydrophobicContact CG2-CD 4.11Å; T956-K960 WeakPolarHBondContact O-CG 3.43Å; T956-K960 PolarHBondContact O-N 3.15Å
957D92Very high83.1Confident82 Ų8272.3 Ų72.344%0.43936%0.359SS..Hα-helixtrans-64.4-42.3-178.7-67.7-18.9000110.6K953 L954 K960 L961K953-D957 PolarHBondContact O-N 3.07Å; L954-D957 PolarHBondContact O-N 2.8Å; D957-K960 PolarHBondContact O-N 3.31Å; D957-L961 WeakPolarHBondContact O-CB 3.26Å; D957-L961 PolarHBondContact O-N 2.86Å
958F92.7Very high80.1Confident28 Ų2883.3 Ų83.312%0.12342%0.418CS..Hα-helixtrans-59.5-48.7174.3-171.9-84.8000111.6L914 Q918 W919 E922 L954 T956 K960 L961 H962L914-F958 HydrophobicContact CD1-CD1 3.95Å; L914-F958 HydrophobicContact CD1-CE1 3.92Å; Q918-F958 HydrophobicContact CB-CZ 4.04Å; W919-F958 HydrophobicContact CB-CD1 4.2Å; W919-F958 HydrophobicContact CB-CE1 4.08Å; W919-F958 AromaticContact CD1-CD1 3.48Å; W919-F958 VanDerWaalsContact CD1-CD1 3.48Å; W919-F958 HydrophobicContact CG-CD1 4.04Å; W919-F958 HydrophobicContact CG-CE1 4.4Å; E922-F958 HydrophobicContact CB-CD2 4.1Å; E922-F958 HydrophobicContact CB-CE2 4.34Å; E922-F958 HydrophobicContact CG-CD2 3.76Å; E922-F958 HydrophobicContact CG-CE2 4.32Å; E922-F958 HydrophobicContact CG-CG 4.4Å; L954-F958 VanDerWaalsContact O-CB 3.28Å; L954-F958 WeakPolarHBondContact O-CB 3.47Å; L954-F958 PolarHBondContact O-N 3Å; T956-F958 VanDerWaalsContact C-N 3.34Å; T956-F958 PolarHBondContact O-N 3.46Å; F958-K960 PolarHBondContact O-N 2.83Å; F958-L961 PolarHBondContact O-N 3.45Å; F958-H962 AromaticContact CD1-ND1 3.79Å; F958-H962 AromaticContact CD2-CE1 3.85Å; F958-H962 AromaticContact CE1-CE1 3.66Å; F958-H962 AromaticContact CE1-ND1 3.69Å; F958-H962 AromaticContact CE2-CE1 3.47Å; F958-H962 VanDerWaalsContact CE2-CE1 3.47Å; F958-H962 WeakPolarHBondContact CE2-CE1 3.33Å; F958-H962 AromaticContact CZ-CE1 3.35Å; F958-H962 WeakPolarHBondContact CZ-CE1 3.44Å; F958-H962 AromaticContact CZ-ND1 3.88Å; F958-H962 AromaticContact CZ-NE2 3.73Å; F958-H962 PolarHBondContact O-N 3.11Å; F958-H962 PolarHBondContact O-ND1 3.05Å
959A89.9Confident79.5Confident0 Ų086.6 Ų86.60%043%0.434CS..Hα-helixtrans-64.8-41.1-179.500000112.5L857 L914 W919 A955 T956 H962 L963L857-A959 HydrophobicContact CD1-CB 3.64Å; L857-A959 HydrophobicContact CD2-CB 3.56Å; L857-A959 HydrophobicContact CG-CB 4.26Å; L914-A959 HydrophobicContact CD1-CB 4.35Å; L914-A959 HydrophobicContact CD2-CB 4.13Å; W919-A959 HydrophobicContact CZ2-CB 3.85Å; A955-A959 WeakPolarHBondContact O-CB 3.37Å; A955-A959 PolarHBondContact O-N 3.31Å; T956-A959 PolarHBondContact O-N 2.85Å; A959-H962 PolarHBondContact O-N 3.47Å; A959-L963 WeakPolarHBondContact O-CB 3.36Å; A959-L963 VanDerWaalsContact O-CG 3.23Å; A959-L963 WeakPolarHBondContact O-CG 2.96Å; A959-L963 PolarHBondContact O-N 3.03Å
960K87.1Confident78.8Confident114 Ų11482.2 Ų82.250%0.49642%0.415SS..Hα-helixtrans-63.3-41.2177.4-76178.3178.1177.30112.6T956 D957 F958 H962 L963 G964T956-K960 HydrophobicContact CG2-CD 4.11Å; T956-K960 WeakPolarHBondContact O-CG 3.43Å; T956-K960 PolarHBondContact O-N 3.15Å; D957-K960 PolarHBondContact O-N 3.31Å; F958-K960 PolarHBondContact O-N 2.83Å; K960-H962 VanDerWaalsContact C-N 3.28Å; K960-H962 PolarHBondContact O-N 3.36Å; K960-L963 PolarHBondContact O-N 2.84Å; K960-G964 PolarHBondContact O-N 2.75Å
961L87.8Confident78Confident138 Ų13879.9 Ų79.972%0.72341%0.406SS*.Hα-helixtrans-59.7-40.9177.2-176.167.6000111.7D957 F958D957-L961 WeakPolarHBondContact O-CB 3.26Å; D957-L961 PolarHBondContact O-N 2.86Å; F958-L961 PolarHBondContact O-N 3.45Å
962H85.4Confident77.1Confident59 Ų5984.6 Ų84.627%0.27343%0.43SS..Hα-helixtrans-87-14.6-174.8-68.178.9000114.1L914 F958 A959 K960L914-H962 HydrophobicContact CB-CB 4.25Å; L914-H962 HydrophobicContact CD1-CB 4.25Å; F958-H962 AromaticContact CD1-ND1 3.79Å; F958-H962 AromaticContact CD2-CE1 3.85Å; F958-H962 AromaticContact CE1-CE1 3.66Å; F958-H962 AromaticContact CE1-ND1 3.69Å; F958-H962 AromaticContact CE2-CE1 3.47Å; F958-H962 VanDerWaalsContact CE2-CE1 3.47Å; F958-H962 WeakPolarHBondContact CE2-CE1 3.33Å; F958-H962 AromaticContact CZ-CE1 3.35Å; F958-H962 WeakPolarHBondContact CZ-CE1 3.44Å; F958-H962 AromaticContact CZ-ND1 3.88Å; F958-H962 AromaticContact CZ-NE2 3.73Å; F958-H962 PolarHBondContact O-N 3.11Å; F958-H962 PolarHBondContact O-ND1 3.05Å; A959-H962 PolarHBondContact O-N 3.47Å; K960-H962 VanDerWaalsContact C-N 3.28Å; K960-H962 PolarHBondContact O-N 3.36Å
963L81.5Confident76Confident52 Ų5287.7 Ų87.727%0.27245%0.445SS..Hα-helixtrans-96.9-7.4176-65.1175.4000113.4L857 T909 L914 A959 K960L857-L963 HydrophobicContact CB-CD1 4.46Å; L857-L963 HydrophobicContact CD1-CD1 4.49Å; T909-L963 HydrophobicContact CG2-CD2 3.42Å; T909-L963 VanDerWaalsContact CG2-CD2 3.42Å; L914-L963 HydrophobicContact CB-CD2 4.05Å; L914-L963 HydrophobicContact CB-CG 4.48Å; L914-L963 HydrophobicContact CD2-CD1 4.08Å; L914-L963 HydrophobicContact CD2-CD2 4.26Å; L914-L963 HydrophobicContact CD2-CG 4.21Å; A959-L963 WeakPolarHBondContact O-CB 3.36Å; A959-L963 VanDerWaalsContact O-CG 3.23Å; A959-L963 WeakPolarHBondContact O-CG 2.96Å; A959-L963 PolarHBondContact O-N 3.03Å; K960-L963 PolarHBondContact O-N 2.84Å
964G66.8Low74.9Confident42 Ų4284.3 Ų84.343%0.43344%0.435SS..  trans75.4145.8-170.700000111.3K960 L966K960-G964 PolarHBondContact O-N 2.75Å; G964-L966 PolarHBondContact O-N 3.47Å
965E49.3Very low73.5Confident148 Ų14886.6 Ų86.669%0.69245%0.446SS*.  trans-48114.2-178.1-73-173.8155.900111.7K967E965-K967 HydrophobicContact CB-CG 4.44Å; E965-K967 PolarHBondContact O-N 2.9Å; E965-K967 VanDerWaalsContact OE2-CE 3.26Å; E965-K967 WeakPolarHBondContact OE2-CE 3.18Å; E965-K967 IonicContact OE2-NZ 3.09Å; E965-K967 PolarHBondContact OE2-NZ 2.98Å
966L47.8Very low71.9Confident118 Ų11893.3 Ų93.362%0.61848%0.481SS*.  trans-64.677.1158.3-80.3157.1000107.9P856 G964 N968P856-L966 HydrophobicContact CG-CD2 4.49Å; G964-L966 PolarHBondContact O-N 3.47Å; L966-N968 VanDerWaalsContact C-N 3.33Å; L966-N968 PolarHBondContact O-N 2.63Å
967K33.2Very low70.2Confident159 Ų15997.8 Ų97.869%0.69150%0.501SS*.  trans-82.383163.9-91.8179.8172.1135.40108.8E965E965-K967 HydrophobicContact CB-CG 4.44Å; E965-K967 PolarHBondContact O-N 2.9Å; E965-K967 VanDerWaalsContact OE2-CE 3.26Å; E965-K967 WeakPolarHBondContact OE2-CE 3.18Å; E965-K967 IonicContact OE2-NZ 3.09Å; E965-K967 PolarHBondContact OE2-NZ 2.98Å
968N29.3Very low68.2Low234 Ų23499.3 Ų99.3100%1.25151%0.506SS*.  1760127.1-88.6-11.7000109.7L966L966-N968 VanDerWaalsContact C-N 3.33Å; L966-N968 PolarHBondContact O-N 2.63Å

Retrieved 968 of 968 residues in 2437.1 ms (Link to these results)

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