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Zinc finger CCCH domain-containing protein 14

RNA-binding protein involved in the biogenesis of circular RNAs (circRNAs), which are produced by back-splicing circularization of pre-mRNAs. Acts by binding to both exon-intron boundary and 3'-UTR of pre-mRNAs to promote circRNA biogenesis through dimerization and the association with the spliceosome. Required for spermatogenesis via involvement in circRNA biogenesis. Regulates the pre-mRNA processing of ATP5MC1; preventing its degradation. Also binds the poly(A) tail of mRNAs; controlling poly(A) length in neuronal cells.

AlphaFold DB , UniProt , Accession A0A096NW67, Species PAPAN (Papio anubis, Olive baboon), Gene ZC3H14, Length 736 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
1M46.7Very low76.4Confident220 Ų220100.1 Ų100.1100%1.08451%0.511SS*.  074.20-177.2168.472.700108.4
2E50.2Low77.7Confident149 Ų14998.2 Ų98.270%0.69649%0.493SS*.  trans-116.9-22.5-161.1-69.8160-17800113.4G4 T5 E6E2-G4 PolarHBondContact O-N 3.33Å; E2-T5 PolarHBondContact O-N 2.84Å; E2-T5 PolarHBondContact O-OG1 3.49Å; E2-E6 PolarHBondContact O-N 3.32Å; E2-E6 VanDerWaalsContact O-N 3.17Å
3I56.4Low78.9Confident133 Ų13396.8 Ų96.868%0.68250%0.498SS*.Hα-helixtrans-52.2-42.5176.4-60.197.9000111.2T5 I7I3-T5 PolarHBondContact O-N 3.05Å; I3-I7 HydrophobicContact CG2-CD1 3.69Å; I3-I7 HydrophobicContact CG2-CG1 4.48Å; I3-I7 WeakPolarHBondContact O-CB 3.47Å; I3-I7 VanDerWaalsContact O-CG1 3.24Å; I3-I7 WeakPolarHBondContact O-CG1 3.45Å; I3-I7 PolarHBondContact O-N 3.24Å
4G73.6Confident80Confident43 Ų4393 Ų9344%0.44349%0.488SS..Hα-helixtrans-65.9-32.5178.100000114.8E2 S8E2-G4 PolarHBondContact O-N 3.33Å; G4-S8 WeakPolarHBondContact O-CB 3.42Å; G4-S8 PolarHBondContact O-N 3.37Å; G4-S8 PolarHBondContact O-OG 3.22Å
5T81.3Confident81Confident87 Ų8786.9 Ų86.953%0.53446%0.456SS..Hα-helixtrans-80.7-32.3-178.560.10000111.6E2 I3 R9E2-T5 PolarHBondContact O-N 2.84Å; E2-T5 PolarHBondContact O-OG1 3.49Å; I3-T5 PolarHBondContact O-N 3.05Å; T5-R9 WeakPolarHBondContact O-CB 3.41Å; T5-R9 PolarHBondContact O-N 2.81Å
6E85.3Confident81.7Confident69 Ų6985.9 Ų85.932%0.32245%0.447SS..Hα-helixtrans-66.3-46.8169.5-171.659.7-133.300111.5E2 S8 R9 K10E2-E6 PolarHBondContact O-N 3.32Å; E2-E6 VanDerWaalsContact O-N 3.17Å; E6-S8 PolarHBondContact O-N 2.83Å; E6-R9 PolarHBondContact O-N 2.88Å; E6-R9 IonicContact OE1-CZ 2.7Å; E6-R9 IonicContact OE1-NH1 2.7Å; E6-R9 PolarHBondContact OE1-NH1 3.47Å; E6-R9 VanDerWaalsContact OE1-NH1 3.08Å; E6-R9 IonicContact OE2-CZ 3.97Å; E6-R9 IonicContact OE2-NH1 2.63Å; E6-R9 PolarHBondContact OE2-NH1 3.02Å; E6-R9 IonicContact OE2-NH2 3.59Å; E6-R9 PolarHBondContact OE2-NH2 2.99Å; E6-K10 PolarHBondContact O-N 2.88Å; E6-K10 VanDerWaalsContact OE1-CE 3.29Å; E6-K10 WeakPolarHBondContact OE1-CE 3.46Å
7I85.8Confident82.4Confident58 Ų5883.1 Ų83.130%0.29744%0.444SS..Hα-helixtrans-59.8-46.8176.6-70.3169000110.7I3 R9 K10 I11I3-I7 HydrophobicContact CG2-CD1 3.69Å; I3-I7 HydrophobicContact CG2-CG1 4.48Å; I3-I7 WeakPolarHBondContact O-CB 3.47Å; I3-I7 VanDerWaalsContact O-CG1 3.24Å; I3-I7 WeakPolarHBondContact O-CG1 3.45Å; I3-I7 PolarHBondContact O-N 3.24Å; I7-R9 VanDerWaalsContact C-N 3.3Å; I7-R9 PolarHBondContact O-N 2.69Å; I7-K10 PolarHBondContact O-N 3.2Å; I7-I11 HydrophobicContact CG2-CD1 3.71Å; I7-I11 HydrophobicContact CG2-CG1 4.33Å; I7-I11 WeakPolarHBondContact O-CG1 3.41Å; I7-I11 PolarHBondContact O-N 2.88Å
8S87.4Confident83Confident51 Ų5180.8 Ų80.836%0.35743%0.429SS..Hα-helixtrans-60.9-37.6177-58.80000112.4G4 E6 I11 R12 M35G4-S8 WeakPolarHBondContact O-CB 3.42Å; G4-S8 PolarHBondContact O-N 3.37Å; G4-S8 PolarHBondContact O-OG 3.22Å; E6-S8 PolarHBondContact O-N 2.83Å; S8-I11 PolarHBondContact O-N 2.94Å; S8-R12 PolarHBondContact O-N 3.05Å; S8-M35 VanDerWaalsContact O-SD 3.35Å
9R91Very high83.6Confident134 Ų13476.5 Ų76.551%0.50641%0.407SS..Hα-helixtrans-64.8-43.3175.6-153.8-169.9-44.411916.5111.7T5 E6 I7 R12 S13T5-R9 WeakPolarHBondContact O-CB 3.41Å; T5-R9 PolarHBondContact O-N 2.81Å; E6-R9 PolarHBondContact O-N 2.88Å; E6-R9 IonicContact OE1-CZ 2.7Å; E6-R9 IonicContact OE1-NH1 2.7Å; E6-R9 PolarHBondContact OE1-NH1 3.47Å; E6-R9 VanDerWaalsContact OE1-NH1 3.08Å; E6-R9 IonicContact OE2-CZ 3.97Å; E6-R9 IonicContact OE2-NH1 2.63Å; E6-R9 PolarHBondContact OE2-NH1 3.02Å; E6-R9 IonicContact OE2-NH2 3.59Å; E6-R9 PolarHBondContact OE2-NH2 2.99Å; I7-R9 VanDerWaalsContact C-N 3.3Å; I7-R9 PolarHBondContact O-N 2.69Å; R9-R12 PolarHBondContact O-N 2.93Å; R9-S13 PolarHBondContact O-N 3.28Å; R9-S13 PolarHBondContact O-OG 2.79Å
10K91.1Very high83.9Confident134 Ų13479.9 Ų79.958%0.58342%0.42SS*.Hα-helixtrans-65.2-41176.4-70.6179.1179.7179.40112.2E6 I7 S13 A14E6-K10 PolarHBondContact O-N 2.88Å; E6-K10 VanDerWaalsContact OE1-CE 3.29Å; E6-K10 WeakPolarHBondContact OE1-CE 3.46Å; I7-K10 PolarHBondContact O-N 3.2Å; K10-S13 PolarHBondContact O-N 2.85Å; K10-A14 WeakPolarHBondContact O-CB 3.21Å; K10-A14 PolarHBondContact O-N 2.91Å
11I92Very high84.4Confident23 Ų2382.3 Ų82.312%0.11843%0.429CS..Hα-helixtrans-59.6-48.1172.9-69.4167.9000110.5I7 S8 S13 A14 I15 M35 L70 L73I7-I11 HydrophobicContact CG2-CD1 3.71Å; I7-I11 HydrophobicContact CG2-CG1 4.33Å; I7-I11 WeakPolarHBondContact O-CG1 3.41Å; I7-I11 PolarHBondContact O-N 2.88Å; S8-I11 PolarHBondContact O-N 2.94Å; I11-S13 PolarHBondContact O-N 3.12Å; I11-A14 PolarHBondContact O-N 3.38Å; I11-I15 HydrophobicContact CG2-CD1 3.63Å; I11-I15 HydrophobicContact CG2-CG1 4.39Å; I11-I15 WeakPolarHBondContact O-CB 3.39Å; I11-I15 VanDerWaalsContact O-CG1 3.32Å; I11-I15 WeakPolarHBondContact O-CG1 3.4Å; I11-I15 PolarHBondContact O-N 3.34Å; I11-M35 HydrophobicContact CG2-SD 4.32Å; I11-L70 HydrophobicContact CD1-CD2 4.22Å; I11-L73 HydrophobicContact CD1-CD1 3.85Å; I11-L73 HydrophobicContact CG1-CD1 3.7Å
12R92.3Very high86.4Confident77 Ų7772.7 Ų72.729%0.29138%0.382SS..Hα-helixtrans-58.3-44.9177.2-173.3-178.1177.7148.68.7112.4S8 R9 I15 K16 E28 P31 D32 M35S8-R12 PolarHBondContact O-N 3.05Å; R9-R12 PolarHBondContact O-N 2.93Å; R12-I15 PolarHBondContact O-N 3.37Å; R12-K16 PolarHBondContact O-N 3.12Å; R12-E28 PolarHBondContact NH2-O 3.37Å; R12-P31 HydrophobicContact CG-CB 3.96Å; R12-D32 IonicContact CZ-OD1 3.44Å; R12-D32 VanDerWaalsContact CZ-OD1 3.28Å; R12-D32 IonicContact CZ-OD2 3.13Å; R12-D32 IonicContact NE-OD1 3.82Å; R12-D32 IonicContact NH1-OD1 2.69Å; R12-D32 PolarHBondContact NH1-OD1 3.44Å; R12-D32 IonicContact NH1-OD2 2.59Å; R12-D32 PolarHBondContact NH1-OD2 2.87Å; R12-D32 VanDerWaalsContact NH2-CG 3.35Å; R12-D32 IonicContact NH2-OD1 3.9Å; R12-D32 IonicContact NH2-OD2 2.75Å; R12-D32 PolarHBondContact NH2-OD2 3.36Å; R12-M35 HydrophobicContact CB-CE 4.15Å; R12-M35 HydrophobicContact CB-CG 4.38Å; R12-M35 HydrophobicContact CB-SD 3.93Å
13S93.1Very high87.9Confident81 Ų8168.8 Ų68.857%0.56638%0.382SS*.Hα-helixtrans-64.5-41.9177.3-65.30000112.4R9 K10 I11 K16 G17R9-S13 PolarHBondContact O-N 3.28Å; R9-S13 PolarHBondContact O-OG 2.79Å; K10-S13 PolarHBondContact O-N 2.85Å; I11-S13 PolarHBondContact O-N 3.12Å; S13-K16 PolarHBondContact O-N 2.96Å; S13-G17 PolarHBondContact O-N 3.32Å
14A94.1Very high89.2Confident43 Ų4363.5 Ų63.536%0.35536%0.358SS..Hα-helixtrans-63.8-42.217600000112K10 I11 G17 K18 W65K10-A14 WeakPolarHBondContact O-CB 3.21Å; K10-A14 PolarHBondContact O-N 2.91Å; I11-A14 PolarHBondContact O-N 3.38Å; A14-G17 PolarHBondContact O-N 3.43Å; A14-K18 WeakPolarHBondContact O-CB 3.21Å; A14-K18 PolarHBondContact O-N 3.17Å; A14-W65 HydrophobicContact CB-CH2 4.33Å
15I94.1Very high89.5Confident1 Ų170 Ų701%0.00537%0.37CS..Hα-helixtrans-57.7-52.6173-73.1162.4000110.2I11 R12 G17 K18 L19 P31 I34 M35 F62 W65 L66I11-I15 HydrophobicContact CG2-CD1 3.63Å; I11-I15 HydrophobicContact CG2-CG1 4.39Å; I11-I15 WeakPolarHBondContact O-CB 3.39Å; I11-I15 VanDerWaalsContact O-CG1 3.32Å; I11-I15 WeakPolarHBondContact O-CG1 3.4Å; I11-I15 PolarHBondContact O-N 3.34Å; R12-I15 PolarHBondContact O-N 3.37Å; I15-G17 VanDerWaalsContact C-N 3.32Å; I15-G17 PolarHBondContact O-N 3.03Å; I15-K18 PolarHBondContact O-N 3.13Å; I15-L19 HydrophobicContact CG2-CD1 3.65Å; I15-L19 HydrophobicContact CG2-CG 4.21Å; I15-L19 VanDerWaalsContact O-CG 3.24Å; I15-L19 WeakPolarHBondContact O-CG 3.43Å; I15-L19 PolarHBondContact O-N 3.42Å; I15-P31 HydrophobicContact CG2-CB 4.12Å; I15-I34 HydrophobicContact CD1-CB 4.42Å; I15-I34 HydrophobicContact CD1-CG2 3.72Å; I15-I34 HydrophobicContact CG1-CG2 4.34Å; I15-I34 HydrophobicContact CG2-CB 4.41Å; I15-I34 HydrophobicContact CG2-CD1 3.82Å; I15-I34 HydrophobicContact CG2-CG2 4.33Å; I15-M35 HydrophobicContact CD1-CG 4.36Å; I15-F62 HydrophobicContact CG1-CZ 4.43Å; I15-F62 HydrophobicContact CG2-CZ 4.06Å; I15-W65 HydrophobicContact CG1-CZ3 4.42Å; I15-L66 HydrophobicContact CD1-CD1 4.17Å; I15-L66 HydrophobicContact CG1-CD1 4.06Å
16K92.8Very high89.3Confident71 Ų7167.3 Ų67.331%0.30935%0.354SS..Hα-helixtrans-58.7-43.4-179-170172.7-175.6174.80111.9R12 S13 Q20 E28 P31R12-K16 PolarHBondContact O-N 3.12Å; S13-K16 PolarHBondContact O-N 2.96Å; K16-Q20 WeakPolarHBondContact O-CB 3.42Å; K16-Q20 PolarHBondContact O-N 3.02Å; K16-Q20 VanDerWaalsContact O-N 3.14Å; K16-E28 IonicContact NZ-OE1 3.1Å; K16-E28 PolarHBondContact NZ-OE1 3.23Å; K16-E28 IonicContact NZ-OE2 2.73Å; K16-E28 PolarHBondContact NZ-OE2 3.41Å; K16-P31 HydrophobicContact CB-CG 4.21Å; K16-P31 HydrophobicContact CG-CG 4.42Å
17G93.6Very high89.2Confident39 Ų3968.2 Ų68.240%0.40236%0.361SS..Hα-helixtrans-61.1-46.4174.900000113.1S13 A14 I15 Q20 E21S13-G17 PolarHBondContact O-N 3.32Å; A14-G17 PolarHBondContact O-N 3.43Å; I15-G17 VanDerWaalsContact C-N 3.32Å; I15-G17 PolarHBondContact O-N 3.03Å; G17-Q20 PolarHBondContact O-N 3.26Å; G17-E21 PolarHBondContact O-N 2.77Å
18K94.1Very high89.1Confident41 Ų4170.9 Ų70.918%0.17837%0.372CS..Hα-helixtrans-67.2-38.2-179.4-166.375.8-157.41700112.9A14 I15 Q20 E21 L22 F62 W65A14-K18 WeakPolarHBondContact O-CB 3.21Å; A14-K18 PolarHBondContact O-N 3.17Å; I15-K18 PolarHBondContact O-N 3.13Å; K18-Q20 VanDerWaalsContact C-N 3.32Å; K18-E21 WeakPolarHBondContact CD-OE2 3.17Å; K18-E21 WeakPolarHBondContact CE-OE2 3.47Å; K18-E21 IonicContact NZ-OE1 3.17Å; K18-E21 PolarHBondContact NZ-OE1 3.35Å; K18-E21 IonicContact NZ-OE2 3.85Å; K18-E21 PolarHBondContact NZ-OE2 3.42Å; K18-E21 PolarHBondContact O-N 2.92Å; K18-L22 HydrophobicContact CG-CD1 4.31Å; K18-L22 VanDerWaalsContact O-CG 3.31Å; K18-L22 WeakPolarHBondContact O-CG 3.19Å; K18-L22 PolarHBondContact O-N 2.81Å; K18-L22 VanDerWaalsContact O-N 3.09Å; K18-F62 HydrophobicContact CB-CE2 4.3Å; K18-F62 HydrophobicContact CG-CD2 4.15Å; K18-F62 HydrophobicContact CG-CE2 4.39Å; K18-W65 HydrophobicContact CB-CD2 4.35Å; K18-W65 HydrophobicContact CB-CE3 4.12Å; K18-W65 HydrophobicContact CB-CH2 3.56Å; K18-W65 HydrophobicContact CB-CZ2 3.8Å; K18-W65 HydrophobicContact CB-CZ3 3.73Å; K18-W65 HydrophobicContact CD-CD2 3.91Å; K18-W65 HydrophobicContact CD-CE3 4.44Å; K18-W65 HydrophobicContact CD-CG 4.21Å; K18-W65 HydrophobicContact CD-CZ2 4.08Å; K18-W65 HydrophobicContact CG-CD2 3.68Å; K18-W65 HydrophobicContact CG-CE3 3.71Å; K18-W65 HydrophobicContact CG-CG 4.32Å; K18-W65 HydrophobicContact CG-CH2 4.02Å; K18-W65 HydrophobicContact CG-CZ2 3.98Å; K18-W65 HydrophobicContact CG-CZ3 3.88Å
19L93.2Very high89.2Confident0 Ų076.1 Ų76.10%039%0.391CS..Hα-helixtrans-63.3-40.6175.4-66.9171.5000111.5I15 L22 A24 V26 L30 P31 I34 L55 F62I15-L19 HydrophobicContact CG2-CD1 3.65Å; I15-L19 HydrophobicContact CG2-CG 4.21Å; I15-L19 VanDerWaalsContact O-CG 3.24Å; I15-L19 WeakPolarHBondContact O-CG 3.43Å; I15-L19 PolarHBondContact O-N 3.42Å; L19-L22 PolarHBondContact O-N 3.05Å; L19-A24 PolarHBondContact O-N 3.21Å; L19-V26 HydrophobicContact CB-CG1 4.31Å; L19-V26 HydrophobicContact CB-CG2 3.51Å; L19-V26 HydrophobicContact CD1-CG1 3.93Å; L19-V26 HydrophobicContact CD1-CG2 4.5Å; L19-L30 HydrophobicContact CD1-CD2 4.2Å; L19-L30 HydrophobicContact CD1-CG 4.25Å; L19-P31 HydrophobicContact CD1-CG 4.44Å; L19-I34 HydrophobicContact CD1-CD1 3.79Å; L19-I34 HydrophobicContact CD2-CD1 4.33Å; L19-L55 HydrophobicContact CD2-CD1 3.73Å; L19-L55 HydrophobicContact CD2-CD2 3.59Å; L19-L55 HydrophobicContact CD2-CG 4.33Å; L19-F62 HydrophobicContact CD2-CD1 4.49Å; L19-F62 HydrophobicContact CD2-CD2 3.73Å; L19-F62 HydrophobicContact CD2-CE1 4.33Å; L19-F62 HydrophobicContact CD2-CE2 3.53Å; L19-F62 HydrophobicContact CD2-CG 4.22Å; L19-F62 HydrophobicContact CD2-CZ 3.88Å; L19-F62 HydrophobicContact CG-CD2 4.37Å; L19-F62 HydrophobicContact CG-CE2 3.81Å; L19-F62 HydrophobicContact CG-CZ 4.23Å
20Q90.8Very high89.3Confident144 Ų14470.4 Ų70.467%0.67337%0.37SS*.Hα-helixtrans-67.9-39.4175.5-171.9175.3-0.800112.4K16 G17 K18 L22 G23K16-Q20 WeakPolarHBondContact O-CB 3.42Å; K16-Q20 PolarHBondContact O-N 3.02Å; K16-Q20 VanDerWaalsContact O-N 3.14Å; G17-Q20 PolarHBondContact O-N 3.26Å; K18-Q20 VanDerWaalsContact C-N 3.32Å; Q20-L22 VanDerWaalsContact C-N 3.29Å; Q20-L22 PolarHBondContact O-N 3.23Å; Q20-G23 PolarHBondContact O-N 3.35Å; Q20-G23 VanDerWaalsContact O-N 3.1Å
21E92.7Very high89.3Confident131 Ų13164 Ų6461%0.61234%0.342SS*.Hα-helixtrans-60-37.5173.8-171.1-154.8123.500112.3G17 K18 G23G17-E21 PolarHBondContact O-N 2.77Å; K18-E21 WeakPolarHBondContact CD-OE2 3.17Å; K18-E21 WeakPolarHBondContact CE-OE2 3.47Å; K18-E21 IonicContact NZ-OE1 3.17Å; K18-E21 PolarHBondContact NZ-OE1 3.35Å; K18-E21 IonicContact NZ-OE2 3.85Å; K18-E21 PolarHBondContact NZ-OE2 3.42Å; K18-E21 PolarHBondContact O-N 2.92Å; E21-G23 PolarHBondContact O-N 3.44Å
22L88.7Confident89.4Confident17 Ų1766 Ų669%0.08935%0.353CS..THydrogen-bonded Turntrans-75.3-0.2177.7-68.7167.4000113.5K18 L19 Q20 A24 N58 F62K18-L22 HydrophobicContact CG-CD1 4.31Å; K18-L22 VanDerWaalsContact O-CG 3.31Å; K18-L22 WeakPolarHBondContact O-CG 3.19Å; K18-L22 PolarHBondContact O-N 2.81Å; K18-L22 VanDerWaalsContact O-N 3.09Å; L19-L22 PolarHBondContact O-N 3.05Å; Q20-L22 VanDerWaalsContact C-N 3.29Å; Q20-L22 PolarHBondContact O-N 3.23Å; L22-A24 PolarHBondContact O-N 3.46Å; L22-N58 HydrophobicContact CB-CB 4.26Å; L22-N58 HydrophobicContact CD1-CB 4.4Å; L22-N58 HydrophobicContact CD2-CB 4.33Å; L22-N58 PolarHBondContact O-ND2 3.18Å; L22-F62 HydrophobicContact CD1-CB 3.83Å; L22-F62 HydrophobicContact CD1-CD2 3.98Å; L22-F62 HydrophobicContact CD1-CG 4.37Å
23G82.6Confident89.5Confident68 Ų6866.4 Ų66.470%0.70136%0.355SS*.THydrogen-bonded Turntrans67.515.9-17800000114Q20 E21Q20-G23 PolarHBondContact O-N 3.35Å; Q20-G23 VanDerWaalsContact O-N 3.1Å; E21-G23 PolarHBondContact O-N 3.44Å
24A83.1Confident89.5Confident21 Ų2162.5 Ų62.517%0.17433%0.328CS..  trans-70.9148.3174.200000110.2L19 L22 V26 L55L19-A24 PolarHBondContact O-N 3.21Å; L22-A24 PolarHBondContact O-N 3.46Å; A24-V26 WeakPolarHBondContact O-CG2 3.4Å; A24-V26 PolarHBondContact O-N 2.97Å; A24-L55 HydrophobicContact CB-CD2 3.67Å
25Y79.6Confident89.5Confident179 Ų17962.7 Ų62.770%0.70232%0.322SS*.  trans-77120.4169.6177.6-95.6000109D27Y25-D27 VanDerWaalsContact CE1-CG 3.48Å; Y25-D27 WeakPolarHBondContact CE1-OD1 3.37Å; Y25-D27 WeakPolarHBondContact CE1-OD2 3.31Å; Y25-D27 PolarHBondContact OH-OD1 3.09Å
26V77.5Confident89.5Confident32 Ų3266.3 Ų66.319%0.19435%0.345CS..  trans-118.398.8-170.2-1660000111L19 A24 P31L19-V26 HydrophobicContact CB-CG1 4.31Å; L19-V26 HydrophobicContact CB-CG2 3.51Å; L19-V26 HydrophobicContact CD1-CG1 3.93Å; L19-V26 HydrophobicContact CD1-CG2 4.5Å; A24-V26 WeakPolarHBondContact O-CG2 3.4Å; A24-V26 PolarHBondContact O-N 2.97Å; V26-P31 HydrophobicContact CG1-CG 4.11Å
27D83.5Confident89.6Confident87 Ų8763 Ų6347%0.46533%0.33SS..  trans-70.3153.5163.4-67-50.1000110.8Y25 E29 L30 P31Y25-D27 VanDerWaalsContact CE1-CG 3.48Å; Y25-D27 WeakPolarHBondContact CE1-OD1 3.37Å; Y25-D27 WeakPolarHBondContact CE1-OD2 3.31Å; Y25-D27 PolarHBondContact OH-OD1 3.09Å; D27-E29 PolarHBondContact O-N 3.18Å; D27-E29 VanDerWaalsContact O-N 3.07Å; D27-L30 PolarHBondContact O-N 2.88Å; D27-L30 VanDerWaalsContact O-N 3.1Å; D27-P31 VanDerWaalsContact O-CD 3.26Å; D27-P31 WeakPolarHBondContact O-CD 3.3Å
28E83.3Confident89.6Confident115 Ų11562.5 Ų62.554%0.53732%0.319SS..THydrogen-bonded Turntrans-61.5-19.4-178.1-63.8-63.7165.100114.2R12 K16R12-E28 PolarHBondContact NH2-O 3.37Å; K16-E28 IonicContact NZ-OE1 3.1Å; K16-E28 PolarHBondContact NZ-OE1 3.23Å; K16-E28 IonicContact NZ-OE2 2.73Å; K16-E28 PolarHBondContact NZ-OE2 3.41Å
29E90.8Very high89.4Confident161 Ų16163.5 Ų63.575%0.75234%0.335SS*.THydrogen-bonded Turntrans-80.4-27.3177.8-59.4-169.8166.600113.3D27 D32 Y33D27-E29 PolarHBondContact O-N 3.18Å; D27-E29 VanDerWaalsContact O-N 3.07Å; E29-D32 WeakPolarHBondContact O-CB 3.35Å; E29-D32 PolarHBondContact O-N 3.33Å; E29-D32 VanDerWaalsContact O-N 3.11Å; E29-Y33 PolarHBondContact O-N 3.05Å
30L91.8Very high89.4Confident13 Ų1368.1 Ų68.17%0.06836%0.36CS..Hα-helixtrans-64.2-42.7-175.7178.360.9000113L19 D27 D32 Y33 I34 L51 F54 L55L19-L30 HydrophobicContact CD1-CD2 4.2Å; L19-L30 HydrophobicContact CD1-CG 4.25Å; D27-L30 PolarHBondContact O-N 2.88Å; D27-L30 VanDerWaalsContact O-N 3.1Å; L30-D32 VanDerWaalsContact C-N 3.27Å; L30-D32 PolarHBondContact O-N 3.18Å; L30-Y33 HydrophobicContact CD1-CD1 4.5Å; L30-Y33 PolarHBondContact O-N 3.16Å; L30-I34 HydrophobicContact CD1-CD1 4.11Å; L30-I34 HydrophobicContact CD1-CG1 4.37Å; L30-I34 HydrophobicContact CG-CD1 4.06Å; L30-I34 WeakPolarHBondContact O-CD1 3.42Å; L30-I34 WeakPolarHBondContact O-CG1 3.46Å; L30-I34 PolarHBondContact O-N 2.99Å; L30-L51 HydrophobicContact CD1-CD2 4.01Å; L30-F54 HydrophobicContact CD1-CB 4.34Å; L30-F54 HydrophobicContact CD1-CD1 4.2Å; L30-F54 HydrophobicContact CD1-CG 4.13Å; L30-F54 HydrophobicContact CD2-CB 4.4Å; L30-L55 HydrophobicContact CD2-CD2 4.28Å
31P92.8Very high89.4Confident0 Ų070 Ų700%037%0.366CS..Hα-helixtrans-60.4-31.7171.7-25.335.6000114R12 I15 K16 L19 V26 D27 M35R12-P31 HydrophobicContact CG-CB 3.96Å; I15-P31 HydrophobicContact CG2-CB 4.12Å; K16-P31 HydrophobicContact CB-CG 4.21Å; K16-P31 HydrophobicContact CG-CG 4.42Å; L19-P31 HydrophobicContact CD1-CG 4.44Å; V26-P31 HydrophobicContact CG1-CG 4.11Å; D27-P31 VanDerWaalsContact O-CD 3.26Å; D27-P31 WeakPolarHBondContact O-CD 3.3Å; P31-M35 VanDerWaalsContact O-CG 3.24Å; P31-M35 WeakPolarHBondContact O-CG 3.11Å; P31-M35 PolarHBondContact O-N 3.4Å
32D92.9Very high89.5Confident64 Ų6466.3 Ų66.334%0.34235%0.348SS..Hα-helixtrans-73.5-40.7175.2-88.9-33.2000111.8R12 E29 L30 I34 M35 V36R12-D32 IonicContact CZ-OD1 3.44Å; R12-D32 VanDerWaalsContact CZ-OD1 3.28Å; R12-D32 IonicContact CZ-OD2 3.13Å; R12-D32 IonicContact NE-OD1 3.82Å; R12-D32 IonicContact NH1-OD1 2.69Å; R12-D32 PolarHBondContact NH1-OD1 3.44Å; R12-D32 IonicContact NH1-OD2 2.59Å; R12-D32 PolarHBondContact NH1-OD2 2.87Å; R12-D32 VanDerWaalsContact NH2-CG 3.35Å; R12-D32 IonicContact NH2-OD1 3.9Å; R12-D32 IonicContact NH2-OD2 2.75Å; R12-D32 PolarHBondContact NH2-OD2 3.36Å; E29-D32 WeakPolarHBondContact O-CB 3.35Å; E29-D32 PolarHBondContact O-N 3.33Å; E29-D32 VanDerWaalsContact O-N 3.11Å; L30-D32 VanDerWaalsContact C-N 3.27Å; L30-D32 PolarHBondContact O-N 3.18Å; D32-I34 VanDerWaalsContact C-N 3.3Å; D32-I34 PolarHBondContact O-N 2.89Å; D32-M35 PolarHBondContact O-N 3.41Å; D32-V36 WeakPolarHBondContact O-CG2 3.15Å; D32-V36 PolarHBondContact O-N 2.85Å
33Y94.6Very high89.8Confident86 Ų8668.3 Ų68.334%0.33736%0.363SS..Hα-helixtrans-58.1-43.8173.3-179.1-116.1000111.5E29 L30 V36 M37 D50 L51 F54E29-Y33 PolarHBondContact O-N 3.05Å; L30-Y33 HydrophobicContact CD1-CD1 4.5Å; L30-Y33 PolarHBondContact O-N 3.16Å; Y33-V36 PolarHBondContact O-N 3.03Å; Y33-M37 HydrophobicContact CD1-CE 3.54Å; Y33-M37 HydrophobicContact CD1-SD 4.25Å; Y33-M37 HydrophobicContact CE1-CE 3.33Å; Y33-M37 HydrophobicContact CE1-CG 4.34Å; Y33-M37 HydrophobicContact CE1-SD 3.54Å; Y33-M37 VanDerWaalsContact CE1-SD 3.54Å; Y33-M37 HydrophobicContact CE2-CG 4.42Å; Y33-M37 HydrophobicContact CE2-SD 4.47Å; Y33-M37 HydrophobicContact CG-CE 4.4Å; Y33-M37 WeakPolarHBondContact O-CG 3.36Å; Y33-M37 PolarHBondContact O-N 3.38Å; Y33-D50 HydrophobicContact CE1-CB 4.45Å; Y33-D50 PolarHBondContact OH-OD1 3.37Å; Y33-L51 HydrophobicContact CD1-CD2 4.49Å; Y33-F54 HydrophobicContact CE1-CE2 4.45Å
34I94.1Very high90.3Very high0 Ų068.1 Ų68.10%034%0.344CS..Hα-helixtrans-63.7-43.4175.8-63.9160.8000111.1I15 L19 L30 D32 V36 M37 V38 L51 F62 L66I15-I34 HydrophobicContact CD1-CB 4.42Å; I15-I34 HydrophobicContact CD1-CG2 3.72Å; I15-I34 HydrophobicContact CG1-CG2 4.34Å; I15-I34 HydrophobicContact CG2-CB 4.41Å; I15-I34 HydrophobicContact CG2-CD1 3.82Å; I15-I34 HydrophobicContact CG2-CG2 4.33Å; L19-I34 HydrophobicContact CD1-CD1 3.79Å; L19-I34 HydrophobicContact CD2-CD1 4.33Å; L30-I34 HydrophobicContact CD1-CD1 4.11Å; L30-I34 HydrophobicContact CD1-CG1 4.37Å; L30-I34 HydrophobicContact CG-CD1 4.06Å; L30-I34 WeakPolarHBondContact O-CD1 3.42Å; L30-I34 WeakPolarHBondContact O-CG1 3.46Å; L30-I34 PolarHBondContact O-N 2.99Å; D32-I34 VanDerWaalsContact C-N 3.3Å; D32-I34 PolarHBondContact O-N 2.89Å; I34-V36 VanDerWaalsContact C-N 3.29Å; I34-V36 PolarHBondContact O-N 2.96Å; I34-M37 HydrophobicContact CB-CE 4.47Å; I34-M37 HydrophobicContact CG1-CE 4.02Å; I34-M37 WeakPolarHBondContact O-CB 3.47Å; I34-M37 PolarHBondContact O-N 3Å; I34-M37 VanDerWaalsContact O-N 3.12Å; I34-V38 WeakPolarHBondContact O-CG2 3.43Å; I34-V38 PolarHBondContact O-N 3.11Å; I34-L51 HydrophobicContact CD1-CD2 4.19Å; I34-L51 HydrophobicContact CG1-CD1 4.2Å; I34-L51 HydrophobicContact CG1-CD2 3.87Å; I34-F62 HydrophobicContact CD1-CE1 3.91Å; I34-F62 HydrophobicContact CD1-CZ 3.88Å; I34-F62 HydrophobicContact CG1-CE1 4.5Å; I34-F62 HydrophobicContact CG2-CE1 4.26Å; I34-F62 HydrophobicContact CG2-CZ 4.3Å; I34-L66 HydrophobicContact CG2-CD2 3.57Å
35M93.7Very high90.9Very high46 Ų4672.2 Ų72.223%0.22736%0.363CS..Hα-helixtrans-59.2-38174-73.4-118.4-66.100112.8S8 I11 R12 I15 P31 D32 V38 A39S8-M35 VanDerWaalsContact O-SD 3.35Å; I11-M35 HydrophobicContact CG2-SD 4.32Å; R12-M35 HydrophobicContact CB-CE 4.15Å; R12-M35 HydrophobicContact CB-CG 4.38Å; R12-M35 HydrophobicContact CB-SD 3.93Å; I15-M35 HydrophobicContact CD1-CG 4.36Å; P31-M35 VanDerWaalsContact O-CG 3.24Å; P31-M35 WeakPolarHBondContact O-CG 3.11Å; P31-M35 PolarHBondContact O-N 3.4Å; D32-M35 PolarHBondContact O-N 3.41Å; M35-V38 PolarHBondContact O-N 3.47Å; M35-A39 WeakPolarHBondContact O-CB 3.3Å; M35-A39 PolarHBondContact O-N 2.93Å
36V93.6Very high91.6Very high78 Ų7867.3 Ų67.347%0.47335%0.346SS..Hα-helixtrans-66.3-38.4174.6171.20000111.6D32 Y33 I34 A39 N40D32-V36 WeakPolarHBondContact O-CG2 3.15Å; D32-V36 PolarHBondContact O-N 2.85Å; Y33-V36 PolarHBondContact O-N 3.03Å; I34-V36 VanDerWaalsContact C-N 3.29Å; I34-V36 PolarHBondContact O-N 2.96Å; V36-A39 PolarHBondContact O-N 3.01Å; V36-N40 WeakPolarHBondContact O-CB 3.39Å; V36-N40 VanDerWaalsContact O-CG 3.31Å; V36-N40 PolarHBondContact O-N 3.3Å; V36-N40 PolarHBondContact O-ND2 2.99Å
37M94.1Very high92.4Very high1 Ų166 Ų661%0.00534%0.338CS..Hα-helixtrans-64.4-40.5174.8-69.1-165.3-71.700112.6Y33 I34 N40 K41 K42 M47 D50 L51Y33-M37 HydrophobicContact CD1-CE 3.54Å; Y33-M37 HydrophobicContact CD1-SD 4.25Å; Y33-M37 HydrophobicContact CE1-CE 3.33Å; Y33-M37 HydrophobicContact CE1-CG 4.34Å; Y33-M37 HydrophobicContact CE1-SD 3.54Å; Y33-M37 VanDerWaalsContact CE1-SD 3.54Å; Y33-M37 HydrophobicContact CE2-CG 4.42Å; Y33-M37 HydrophobicContact CE2-SD 4.47Å; Y33-M37 HydrophobicContact CG-CE 4.4Å; Y33-M37 WeakPolarHBondContact O-CG 3.36Å; Y33-M37 PolarHBondContact O-N 3.38Å; I34-M37 HydrophobicContact CB-CE 4.47Å; I34-M37 HydrophobicContact CG1-CE 4.02Å; I34-M37 WeakPolarHBondContact O-CB 3.47Å; I34-M37 PolarHBondContact O-N 3Å; I34-M37 VanDerWaalsContact O-N 3.12Å; M37-N40 CarbonylContact O-C 3.58Å; M37-N40 PolarHBondContact O-N 2.97Å; M37-K41 PolarHBondContact O-N 3.47Å; M37-K42 HydrophobicContact CB-CD 3.88Å; M37-K42 HydrophobicContact CB-CG 4.37Å; M37-K42 HydrophobicContact CG-CD 3.7Å; M37-K42 PolarHBondContact O-N 2.93Å; M37-K42 HydrophobicContact SD-CD 3.83Å; M37-M47 HydrophobicContact CB-CG 4.23Å; M37-M47 HydrophobicContact CB-SD 4.23Å; M37-M47 HydrophobicContact SD-CG 4.39Å; M37-D50 HydrophobicContact CE-CB 4.47Å; M37-D50 HydrophobicContact SD-CB 3.63Å; M37-L51 HydrophobicContact CE-CD1 4.06Å; M37-L51 HydrophobicContact CE-CD2 3.73Å; M37-L51 HydrophobicContact CE-CG 3.75Å
38V93.7Very high93Very high28 Ų2863.2 Ų63.217%0.1732%0.324CS..Hα-helixtrans-64.4-45.1173.2173.10000111.5I34 M35 N40 K41 M47 L66 L70I34-V38 WeakPolarHBondContact O-CG2 3.43Å; I34-V38 PolarHBondContact O-N 3.11Å; M35-V38 PolarHBondContact O-N 3.47Å; V38-N40 PolarHBondContact O-N 3.07Å; V38-K41 PolarHBondContact O-N 3.34Å; V38-M47 HydrophobicContact CG2-SD 4.49Å; V38-L66 HydrophobicContact CG2-CD2 4.18Å; V38-L70 HydrophobicContact CB-CD1 4.37Å; V38-L70 HydrophobicContact CG1-CD1 3.83Å; V38-L70 HydrophobicContact CG1-CD2 3.65Å; V38-L70 HydrophobicContact CG1-CG 4.41Å; V38-L70 HydrophobicContact CG2-CD1 3.63Å
39A91.1Very high93.6Very high62 Ų6263.8 Ų63.851%0.51233%0.327SS..Hα-helixtrans-65.9-18.8177.500000113.9M35 V36 K608M35-A39 WeakPolarHBondContact O-CB 3.3Å; M35-A39 PolarHBondContact O-N 2.93Å; V36-A39 PolarHBondContact O-N 3.01Å; A39-K608 PolarHBondContact O-NZ 3.31Å
40N93.6Very high93.7Very high97 Ų9758 Ų5852%0.51930%0.301SS..THydrogen-bonded Turntrans-95.72.4173.4-71.2-25.2000113.7V36 M37 V38 K42V36-N40 WeakPolarHBondContact O-CB 3.39Å; V36-N40 VanDerWaalsContact O-CG 3.31Å; V36-N40 PolarHBondContact O-N 3.3Å; V36-N40 PolarHBondContact O-ND2 2.99Å; M37-N40 CarbonylContact O-C 3.58Å; M37-N40 PolarHBondContact O-N 2.97Å; V38-N40 PolarHBondContact O-N 3.07Å; N40-K42 VanDerWaalsContact C-N 3.3Å; N40-K42 PolarHBondContact O-N 3.25Å
41K90.9Very high93.8Very high185 Ų18557.3 Ų57.380%0.80430%0.298SS*.THydrogen-bonded Turntrans5241.9-179.2-58.3-174.9177.4-175.20113.5M37 V38M37-K41 PolarHBondContact O-N 3.47Å; V38-K41 PolarHBondContact O-N 3.34Å
42K93.1Very high93.9Very high53 Ų5359.9 Ų59.923%0.2332%0.315CS..  trans-57.8149.1170.6-70.3-168177.9-175.60110.4M37 N40 Q46 M47 D50M37-K42 HydrophobicContact CB-CD 3.88Å; M37-K42 HydrophobicContact CB-CG 4.37Å; M37-K42 HydrophobicContact CG-CD 3.7Å; M37-K42 PolarHBondContact O-N 2.93Å; M37-K42 HydrophobicContact SD-CD 3.83Å; N40-K42 VanDerWaalsContact C-N 3.3Å; N40-K42 PolarHBondContact O-N 3.25Å; K42-Q46 HydrophobicContact CB-CB 4.33Å; K42-Q46 HydrophobicContact CB-CG 4.36Å; K42-Q46 HydrophobicContact CD-CG 3.92Å; K42-Q46 HydrophobicContact CG-CG 4.26Å; K42-M47 HydrophobicContact CB-CE 4.16Å; K42-M47 HydrophobicContact CB-CG 3.74Å; K42-M47 HydrophobicContact CD-CG 4.44Å; K42-M47 WeakPolarHBondContact O-CE 3.4Å; K42-D50 VanDerWaalsContact CD-OD2 3.31Å; K42-D50 WeakPolarHBondContact CD-OD2 3.37Å; K42-D50 WeakPolarHBondContact CE-OD2 3.26Å; K42-D50 IonicContact NZ-OD1 2.7Å; K42-D50 PolarHBondContact NZ-OD1 2.93Å; K42-D50 IonicContact NZ-OD2 2.63Å; K42-D50 PolarHBondContact NZ-OD2 2.79Å
43S94.8Very high93.8Very high59 Ų5964.3 Ų64.341%0.41334%0.338SS..  trans-71.1166.4171.562.20000111.1D45 Q46 M47S43-D45 PolarHBondContact O-N 3.15Å; S43-Q46 PolarHBondContact O-N 2.64Å; S43-Q46 WeakPolarHBondContact OG-CB 3.35Å; S43-Q46 PolarHBondContact OG-N 3.37Å; S43-Q46 VanDerWaalsContact OG-N 3.14Å; S43-M47 PolarHBondContact O-N 3.38Å
44Q94.6Very high93.6Very high63 Ų6365.8 Ų65.829%0.29435%0.347SS..Hα-helixtrans-59.2-41.2175.5-171.6-174.8-92.300110.8M47 T48 H67Q44-M47 PolarHBondContact O-N 2.97Å; Q44-T48 WeakPolarHBondContact O-CB 3.35Å; Q44-T48 PolarHBondContact O-N 3.37Å; Q44-T48 PolarHBondContact O-OG1 3.47Å; Q44-H67 WeakPolarHBondContact CA-NE2 3.26Å; Q44-H67 PolarHBondContact N-NE2 3.03Å
45D94.7Very high93.4Very high107 Ų10766.4 Ų66.457%0.57235%0.35SS*.Hα-helixtrans-69-44.3-178.6-40-66000110.6S43 M47 T48 E49S43-D45 PolarHBondContact O-N 3.15Å; D45-M47 PolarHBondContact O-N 3.46Å; D45-T48 CarbonylContact O-C 3.54Å; D45-T48 WeakPolarHBondContact O-CA 3.38Å; D45-T48 WeakPolarHBondContact O-CB 3.45Å; D45-T48 PolarHBondContact O-N 2.76Å; D45-E49 PolarHBondContact O-N 3.1Å
46Q95.1Very high93.2Very high77 Ų7766.1 Ų66.136%0.3636%0.359SS..Hα-helixtrans-63-43176.5-171.867.792.400111.4K42 S43 T48 E49 D50K42-Q46 HydrophobicContact CB-CB 4.33Å; K42-Q46 HydrophobicContact CB-CG 4.36Å; K42-Q46 HydrophobicContact CD-CG 3.92Å; K42-Q46 HydrophobicContact CG-CG 4.26Å; S43-Q46 PolarHBondContact O-N 2.64Å; S43-Q46 WeakPolarHBondContact OG-CB 3.35Å; S43-Q46 PolarHBondContact OG-N 3.37Å; S43-Q46 VanDerWaalsContact OG-N 3.14Å; Q46-T48 PolarHBondContact O-N 3.15Å; Q46-E49 PolarHBondContact NE2-OE2 2.63Å; Q46-E49 PolarHBondContact O-N 3.26Å; Q46-D50 PolarHBondContact O-N 3.4Å
47M94.7Very high93.1Very high3 Ų370.1 Ų70.12%0.01538%0.378CS..Hα-helixtrans-63.7-27.5171.8-73.5-166.4-114.100112.6M37 V38 K42 S43 Q44 D45 L51 T63 L66 H67M37-M47 HydrophobicContact CB-CG 4.23Å; M37-M47 HydrophobicContact CB-SD 4.23Å; M37-M47 HydrophobicContact SD-CG 4.39Å; V38-M47 HydrophobicContact CG2-SD 4.49Å; K42-M47 HydrophobicContact CB-CE 4.16Å; K42-M47 HydrophobicContact CB-CG 3.74Å; K42-M47 HydrophobicContact CD-CG 4.44Å; K42-M47 WeakPolarHBondContact O-CE 3.4Å; S43-M47 PolarHBondContact O-N 3.38Å; Q44-M47 PolarHBondContact O-N 2.97Å; D45-M47 PolarHBondContact O-N 3.46Å; M47-L51 WeakPolarHBondContact O-CB 3.46Å; M47-L51 VanDerWaalsContact O-CG 3.3Å; M47-L51 WeakPolarHBondContact O-CG 3.3Å; M47-L51 PolarHBondContact O-N 2.93Å; M47-T63 HydrophobicContact CB-CG2 3.93Å; M47-L66 HydrophobicContact SD-CD2 3.93Å; M47-H67 VanDerWaalsContact CE-NE2 3.28Å; M47-H67 WeakPolarHBondContact CE-NE2 3.31Å
48T95.1Very high93Very high29 Ų2972 Ų7218%0.17839%0.388CS..Hα-helixtrans-74.9-39.6177-57.40000111.2Q44 D45 Q46 S52 T59 I60 T63Q44-T48 WeakPolarHBondContact O-CB 3.35Å; Q44-T48 PolarHBondContact O-N 3.37Å; Q44-T48 PolarHBondContact O-OG1 3.47Å; D45-T48 CarbonylContact O-C 3.54Å; D45-T48 WeakPolarHBondContact O-CA 3.38Å; D45-T48 WeakPolarHBondContact O-CB 3.45Å; D45-T48 PolarHBondContact O-N 2.76Å; Q46-T48 PolarHBondContact O-N 3.15Å; T48-S52 WeakPolarHBondContact O-CB 3.27Å; T48-S52 PolarHBondContact O-N 3.27Å; T48-T59 HydrophobicContact CG2-CG2 4Å; T48-T59 WeakPolarHBondContact O-CG2 3.48Å; T48-I60 HydrophobicContact CG2-CG1 3.83Å; T48-T63 WeakPolarHBondContact OG1-CB 3.47Å; T48-T63 WeakPolarHBondContact OG1-CG2 3.24Å; T48-T63 PolarHBondContact OG1-OG1 2.94Å
49E95.3Very high93Very high127 Ų12770.9 Ų70.959%0.59338%0.381SS*.Hα-helixtrans-60.2-54.1169.1-67.7-179.6170.100111.1D45 Q46 L51 S52D45-E49 PolarHBondContact O-N 3.1Å; Q46-E49 PolarHBondContact NE2-OE2 2.63Å; Q46-E49 PolarHBondContact O-N 3.26Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 3.09Å; E49-S52 WeakPolarHBondContact O-CB 3.3Å; E49-S52 PolarHBondContact O-N 2.84Å; E49-S52 PolarHBondContact O-OG 3.41Å
50D94.5Very high93.1Very high39 Ų3973.1 Ų73.121%0.20938%0.383CS..Hα-helixtrans-62.7-35.1-176.4-71.3-66.6000113.4Y33 M37 K42 Q46 F54Y33-D50 HydrophobicContact CE1-CB 4.45Å; Y33-D50 PolarHBondContact OH-OD1 3.37Å; M37-D50 HydrophobicContact CE-CB 4.47Å; M37-D50 HydrophobicContact SD-CB 3.63Å; K42-D50 VanDerWaalsContact CD-OD2 3.31Å; K42-D50 WeakPolarHBondContact CD-OD2 3.37Å; K42-D50 WeakPolarHBondContact CE-OD2 3.26Å; K42-D50 IonicContact NZ-OD1 2.7Å; K42-D50 PolarHBondContact NZ-OD1 2.93Å; K42-D50 IonicContact NZ-OD2 2.63Å; K42-D50 PolarHBondContact NZ-OD2 2.79Å; Q46-D50 PolarHBondContact O-N 3.4Å; D50-F54 WeakPolarHBondContact O-CD2 3.45Å
51L93.9Very high93.2Very high0 Ų076.1 Ų76.10%039%0.387CS..Hα-helixtrans-91.6-10.2-179.4-67.3172.2000114L30 Y33 I34 M37 M47 E49 L53 F54 L55 T59 F62 T63L30-L51 HydrophobicContact CD1-CD2 4.01Å; Y33-L51 HydrophobicContact CD1-CD2 4.49Å; I34-L51 HydrophobicContact CD1-CD2 4.19Å; I34-L51 HydrophobicContact CG1-CD1 4.2Å; I34-L51 HydrophobicContact CG1-CD2 3.87Å; M37-L51 HydrophobicContact CE-CD1 4.06Å; M37-L51 HydrophobicContact CE-CD2 3.73Å; M37-L51 HydrophobicContact CE-CG 3.75Å; M47-L51 WeakPolarHBondContact O-CB 3.46Å; M47-L51 VanDerWaalsContact O-CG 3.3Å; M47-L51 WeakPolarHBondContact O-CG 3.3Å; M47-L51 PolarHBondContact O-N 2.93Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 3.09Å; L51-L53 PolarHBondContact O-N 3.02Å; L51-F54 HydrophobicContact CD2-CD2 4.38Å; L51-F54 PolarHBondContact O-N 3.45Å; L51-L55 HydrophobicContact CB-CD1 4.12Å; L51-L55 HydrophobicContact CB-CG 4.37Å; L51-L55 HydrophobicContact CD1-CD1 4.24Å; L51-L55 PolarHBondContact O-N 3.46Å; L51-T59 HydrophobicContact CB-CG2 3.56Å; L51-T59 PolarHBondContact O-OG1 2.93Å; L51-F62 HydrophobicContact CD1-CD1 3.79Å; L51-F62 HydrophobicContact CD1-CE1 3.74Å; L51-T63 HydrophobicContact CD1-CG2 4.13Å
52S94.2Very high93.4Very high53 Ų5367.3 Ų67.337%0.37135%0.349SS..Hα-helixtrans-52.8-40.5-179.563.80000112.8T48 E49 F54 G56 T59T48-S52 WeakPolarHBondContact O-CB 3.27Å; T48-S52 PolarHBondContact O-N 3.27Å; E49-S52 WeakPolarHBondContact O-CB 3.3Å; E49-S52 PolarHBondContact O-N 2.84Å; E49-S52 PolarHBondContact O-OG 3.41Å; S52-F54 VanDerWaalsContact C-N 3.29Å; S52-F54 PolarHBondContact O-N 3.23Å; S52-G56 VanDerWaalsContact O-CA 3.31Å; S52-G56 WeakPolarHBondContact O-CA 3.42Å; S52-G56 PolarHBondContact O-N 3.24Å; S52-T59 WeakPolarHBondContact CA-OG1 3.32Å
53L90.1Very high93.5Very high157 Ų15764.8 Ų64.882%0.82234%0.338SS*.Hα-helixtrans-72.4-18.6-179.8-59.1179.3000113.9L51L51-L53 PolarHBondContact O-N 3.02Å
54F90.6Very high93.5Very high118 Ų11865.4 Ų65.452%0.51834%0.339SS..Hα-helixtrans-102.8-36.5-178.3-61.1-85.3000112.6L30 Y33 D50 L51 S52L30-F54 HydrophobicContact CD1-CB 4.34Å; L30-F54 HydrophobicContact CD1-CD1 4.2Å; L30-F54 HydrophobicContact CD1-CG 4.13Å; L30-F54 HydrophobicContact CD2-CB 4.4Å; Y33-F54 HydrophobicContact CE1-CE2 4.45Å; D50-F54 WeakPolarHBondContact O-CD2 3.45Å; L51-F54 HydrophobicContact CD2-CD2 4.38Å; L51-F54 PolarHBondContact O-N 3.45Å; S52-F54 VanDerWaalsContact C-N 3.29Å; S52-F54 PolarHBondContact O-N 3.23Å
55L90.4Very high93.6Very high12 Ų1265.7 Ų65.76%0.06334%0.338CS..Hα-helixtrans-114.8-10.6-171.2-49.4-178.6000113.6L19 A24 L30 L51 N57 N58 T59 F62L19-L55 HydrophobicContact CD2-CD1 3.73Å; L19-L55 HydrophobicContact CD2-CD2 3.59Å; L19-L55 HydrophobicContact CD2-CG 4.33Å; A24-L55 HydrophobicContact CB-CD2 3.67Å; L30-L55 HydrophobicContact CD2-CD2 4.28Å; L51-L55 HydrophobicContact CB-CD1 4.12Å; L51-L55 HydrophobicContact CB-CG 4.37Å; L51-L55 HydrophobicContact CD1-CD1 4.24Å; L51-L55 PolarHBondContact O-N 3.46Å; L55-N57 PolarHBondContact O-N 2.7Å; L55-N58 WeakPolarHBondContact O-CB 3.42Å; L55-N58 PolarHBondContact O-N 3.07Å; L55-T59 WeakPolarHBondContact CB-OG1 3.46Å; L55-F62 HydrophobicContact CD1-CB 3.9Å; L55-F62 HydrophobicContact CD1-CD1 3.62Å; L55-F62 HydrophobicContact CD1-CE1 4.33Å; L55-F62 HydrophobicContact CD1-CG 3.73Å
56G89.6Confident93.6Very high41 Ų4160.7 Ų60.742%0.42331%0.311SS..G310 helixtrans52.2-127.517700000112.7S52 N58 T59S52-G56 VanDerWaalsContact O-CA 3.31Å; S52-G56 WeakPolarHBondContact O-CA 3.42Å; S52-G56 PolarHBondContact O-N 3.24Å; G56-N58 PolarHBondContact O-N 3.14Å; G56-N58 VanDerWaalsContact O-N 3.15Å; G56-T59 PolarHBondContact N-OG1 3.29Å; G56-T59 VanDerWaalsContact O-CB 3.31Å; G56-T59 WeakPolarHBondContact O-CB 3.48Å; G56-T59 PolarHBondContact O-N 3.37Å; G56-T59 PolarHBondContact O-OG1 3Å
57N91.7Very high93.5Very high162 Ų16258.6 Ų58.687%0.86630%0.301SS*.G310 helixtrans-60.7-21.7178.7-56.971.1000114.1L55 T59L55-N57 PolarHBondContact O-N 2.7Å; N57-T59 VanDerWaalsContact C-N 3.31Å
58N91.4Very high93.5Very high41 Ų4160 Ų6022%0.21932%0.317CS..G310 helixtrans-80.9-9.9176.5-74.8-49000113.4L22 L55 G56 I60 R61 F62L22-N58 HydrophobicContact CB-CB 4.26Å; L22-N58 HydrophobicContact CD1-CB 4.4Å; L22-N58 HydrophobicContact CD2-CB 4.33Å; L22-N58 PolarHBondContact O-ND2 3.18Å; L55-N58 WeakPolarHBondContact O-CB 3.42Å; L55-N58 PolarHBondContact O-N 3.07Å; G56-N58 PolarHBondContact O-N 3.14Å; G56-N58 VanDerWaalsContact O-N 3.15Å; N58-I60 PolarHBondContact O-N 2.98Å; N58-R61 PolarHBondContact O-N 2.7Å; N58-R61 PolarHBondContact OD1-NH1 3.07Å; N58-R61 VanDerWaalsContact OD1-NH1 3.17Å; N58-F62 PolarHBondContact O-N 3.1Å
59T94.3Very high93.5Very high3 Ų360.6 Ų60.62%0.01832%0.32CS..Hα-helixtrans-58.1-51.9-172.1-48.70000112.9T48 L51 S52 L55 G56 N57 R61 F62 T63T48-T59 HydrophobicContact CG2-CG2 4Å; T48-T59 WeakPolarHBondContact O-CG2 3.48Å; L51-T59 HydrophobicContact CB-CG2 3.56Å; L51-T59 PolarHBondContact O-OG1 2.93Å; S52-T59 WeakPolarHBondContact CA-OG1 3.32Å; L55-T59 WeakPolarHBondContact CB-OG1 3.46Å; G56-T59 PolarHBondContact N-OG1 3.29Å; G56-T59 VanDerWaalsContact O-CB 3.31Å; G56-T59 WeakPolarHBondContact O-CB 3.48Å; G56-T59 PolarHBondContact O-N 3.37Å; G56-T59 PolarHBondContact O-OG1 3Å; N57-T59 VanDerWaalsContact C-N 3.31Å; T59-R61 VanDerWaalsContact C-N 3.29Å; T59-R61 PolarHBondContact O-N 2.94Å; T59-F62 CarbonylContact O-C 3.6Å; T59-F62 WeakPolarHBondContact O-CA 3.41Å; T59-F62 WeakPolarHBondContact O-CB 3.39Å; T59-F62 PolarHBondContact O-N 3.31Å; T59-T63 HydrophobicContact CG2-CG2 4.24Å; T59-T63 PolarHBondContact O-N 2.9Å; T59-T63 PolarHBondContact O-OG1 3.35Å
60I93.5Very high93.3Very high110 Ų11055 Ų5556%0.56430%0.295SS*.Hα-helixtrans-60.8-41.1-178.2-58.3169.1000110.5T48 N58 F62 T63 V64T48-I60 HydrophobicContact CG2-CG1 3.83Å; N58-I60 PolarHBondContact O-N 2.98Å; I60-F62 VanDerWaalsContact C-N 3.28Å; I60-F62 PolarHBondContact O-N 3.25Å; I60-T63 PolarHBondContact O-N 3.41Å; I60-T63 PolarHBondContact O-OG1 3.43Å; I60-V64 HydrophobicContact CG2-CG2 4.32Å; I60-V64 WeakPolarHBondContact O-CB 3.2Å; I60-V64 VanDerWaalsContact O-CG2 3.26Å; I60-V64 WeakPolarHBondContact O-CG2 3.38Å; I60-V64 PolarHBondContact O-N 2.94Å; I60-V64 VanDerWaalsContact O-N 3.08Å
61R93.8Very high93.2Very high159 Ų15956.7 Ų56.760%0.630%0.303SS*.Hα-helixtrans-63.4-35.7177.2-58.1175.170.4-148.44.9111.4N58 T59 W65N58-R61 PolarHBondContact O-N 2.7Å; N58-R61 PolarHBondContact OD1-NH1 3.07Å; N58-R61 VanDerWaalsContact OD1-NH1 3.17Å; T59-R61 VanDerWaalsContact C-N 3.29Å; T59-R61 PolarHBondContact O-N 2.94Å; R61-W65 WeakPolarHBondContact O-CB 3.43Å; R61-W65 PolarHBondContact O-N 3.15Å
62F95.6Very high93Very high0 Ų063.8 Ų63.80%033%0.334CS..Hα-helixtrans-75.3-44.4176.9179.5-97.1000112.9I15 K18 L19 L22 I34 L51 L55 N58 T59 I60 W65 L66I15-F62 HydrophobicContact CG1-CZ 4.43Å; I15-F62 HydrophobicContact CG2-CZ 4.06Å; K18-F62 HydrophobicContact CB-CE2 4.3Å; K18-F62 HydrophobicContact CG-CD2 4.15Å; K18-F62 HydrophobicContact CG-CE2 4.39Å; L19-F62 HydrophobicContact CD2-CD1 4.49Å; L19-F62 HydrophobicContact CD2-CD2 3.73Å; L19-F62 HydrophobicContact CD2-CE1 4.33Å; L19-F62 HydrophobicContact CD2-CE2 3.53Å; L19-F62 HydrophobicContact CD2-CG 4.22Å; L19-F62 HydrophobicContact CD2-CZ 3.88Å; L19-F62 HydrophobicContact CG-CD2 4.37Å; L19-F62 HydrophobicContact CG-CE2 3.81Å; L19-F62 HydrophobicContact CG-CZ 4.23Å; L22-F62 HydrophobicContact CD1-CB 3.83Å; L22-F62 HydrophobicContact CD1-CD2 3.98Å; L22-F62 HydrophobicContact CD1-CG 4.37Å; I34-F62 HydrophobicContact CD1-CE1 3.91Å; I34-F62 HydrophobicContact CD1-CZ 3.88Å; I34-F62 HydrophobicContact CG1-CE1 4.5Å; I34-F62 HydrophobicContact CG2-CE1 4.26Å; I34-F62 HydrophobicContact CG2-CZ 4.3Å; L51-F62 HydrophobicContact CD1-CD1 3.79Å; L51-F62 HydrophobicContact CD1-CE1 3.74Å; L55-F62 HydrophobicContact CD1-CB 3.9Å; L55-F62 HydrophobicContact CD1-CD1 3.62Å; L55-F62 HydrophobicContact CD1-CE1 4.33Å; L55-F62 HydrophobicContact CD1-CG 3.73Å; N58-F62 PolarHBondContact O-N 3.1Å; T59-F62 CarbonylContact O-C 3.6Å; T59-F62 WeakPolarHBondContact O-CA 3.41Å; T59-F62 WeakPolarHBondContact O-CB 3.39Å; T59-F62 PolarHBondContact O-N 3.31Å; I60-F62 VanDerWaalsContact C-N 3.28Å; I60-F62 PolarHBondContact O-N 3.25Å; F62-W65 HydrophobicContact CD2-CE3 4.02Å; F62-W65 HydrophobicContact CD2-CZ3 4.23Å; F62-W65 AromaticContact CE2-CE3 3.85Å; F62-W65 HydrophobicContact CE2-CE3 3.85Å; F62-W65 AromaticContact CE2-CZ3 3.6Å; F62-W65 HydrophobicContact CE2-CZ3 3.6Å; F62-W65 HydrophobicContact CZ-CE3 4.49Å; F62-W65 HydrophobicContact CZ-CZ3 4.13Å; F62-W65 PolarHBondContact O-N 2.63Å; F62-L66 HydrophobicContact CE1-CB 4.4Å; F62-L66 HydrophobicContact CE1-CD2 3.86Å; F62-L66 HydrophobicContact CZ-CD2 4.24Å; F62-L66 VanDerWaalsContact O-CB 3.31Å; F62-L66 WeakPolarHBondContact O-CB 3.49Å; F62-L66 PolarHBondContact O-N 3.17Å
63T95.4Very high92.7Very high0 Ų064.4 Ų64.40%033%0.333CS..Hα-helixtrans-70.9-39.5-176.251.80000112.3M47 T48 L51 T59 I60 L66 H67M47-T63 HydrophobicContact CB-CG2 3.93Å; T48-T63 WeakPolarHBondContact OG1-CB 3.47Å; T48-T63 WeakPolarHBondContact OG1-CG2 3.24Å; T48-T63 PolarHBondContact OG1-OG1 2.94Å; L51-T63 HydrophobicContact CD1-CG2 4.13Å; T59-T63 HydrophobicContact CG2-CG2 4.24Å; T59-T63 PolarHBondContact O-N 2.9Å; T59-T63 PolarHBondContact O-OG1 3.35Å; I60-T63 PolarHBondContact O-N 3.41Å; I60-T63 PolarHBondContact O-OG1 3.43Å; T63-L66 PolarHBondContact O-N 3.32Å; T63-H67 PolarHBondContact O-N 2.63Å
64V95.8Very high92.5Very high73 Ų7362.4 Ų62.444%0.44231%0.314SS..Hα-helixtrans-60.1-45.6170.7171.90000111.2I60 G68I60-V64 HydrophobicContact CG2-CG2 4.32Å; I60-V64 WeakPolarHBondContact O-CB 3.2Å; I60-V64 VanDerWaalsContact O-CG2 3.26Å; I60-V64 WeakPolarHBondContact O-CG2 3.38Å; I60-V64 PolarHBondContact O-N 2.94Å; I60-V64 VanDerWaalsContact O-N 3.08Å; V64-G68 PolarHBondContact O-N 2.97Å
65W95.8Very high92.2Very high69 Ų6959.9 Ų59.926%0.26131%0.312SS..Hα-helixtrans-61.8-45.1175.3168.184.4000112A14 I15 K18 R61 F62 G68 V69A14-W65 HydrophobicContact CB-CH2 4.33Å; I15-W65 HydrophobicContact CG1-CZ3 4.42Å; K18-W65 HydrophobicContact CB-CD2 4.35Å; K18-W65 HydrophobicContact CB-CE3 4.12Å; K18-W65 HydrophobicContact CB-CH2 3.56Å; K18-W65 HydrophobicContact CB-CZ2 3.8Å; K18-W65 HydrophobicContact CB-CZ3 3.73Å; K18-W65 HydrophobicContact CD-CD2 3.91Å; K18-W65 HydrophobicContact CD-CE3 4.44Å; K18-W65 HydrophobicContact CD-CG 4.21Å; K18-W65 HydrophobicContact CD-CZ2 4.08Å; K18-W65 HydrophobicContact CG-CD2 3.68Å; K18-W65 HydrophobicContact CG-CE3 3.71Å; K18-W65 HydrophobicContact CG-CG 4.32Å; K18-W65 HydrophobicContact CG-CH2 4.02Å; K18-W65 HydrophobicContact CG-CZ2 3.98Å; K18-W65 HydrophobicContact CG-CZ3 3.88Å; R61-W65 WeakPolarHBondContact O-CB 3.43Å; R61-W65 PolarHBondContact O-N 3.15Å; F62-W65 HydrophobicContact CD2-CE3 4.02Å; F62-W65 HydrophobicContact CD2-CZ3 4.23Å; F62-W65 AromaticContact CE2-CE3 3.85Å; F62-W65 HydrophobicContact CE2-CE3 3.85Å; F62-W65 AromaticContact CE2-CZ3 3.6Å; F62-W65 HydrophobicContact CE2-CZ3 3.6Å; F62-W65 HydrophobicContact CZ-CE3 4.49Å; F62-W65 HydrophobicContact CZ-CZ3 4.13Å; F62-W65 PolarHBondContact O-N 2.63Å; W65-G68 PolarHBondContact O-N 2.98Å; W65-V69 HydrophobicContact CD2-CG2 4.24Å; W65-V69 HydrophobicContact CZ2-CG2 3.93Å; W65-V69 WeakPolarHBondContact O-CG2 3.31Å; W65-V69 PolarHBondContact O-N 3.27Å
66L95.3Very high91.8Very high1 Ų165 Ų651%0.00534%0.343CS..Hα-helixtrans-63.8-44.4-178179.560.8000111.2I15 I34 V38 M47 F62 T63 V69 L70I15-L66 HydrophobicContact CD1-CD1 4.17Å; I15-L66 HydrophobicContact CG1-CD1 4.06Å; I34-L66 HydrophobicContact CG2-CD2 3.57Å; V38-L66 HydrophobicContact CG2-CD2 4.18Å; M47-L66 HydrophobicContact SD-CD2 3.93Å; F62-L66 HydrophobicContact CE1-CB 4.4Å; F62-L66 HydrophobicContact CE1-CD2 3.86Å; F62-L66 HydrophobicContact CZ-CD2 4.24Å; F62-L66 VanDerWaalsContact O-CB 3.31Å; F62-L66 WeakPolarHBondContact O-CB 3.49Å; F62-L66 PolarHBondContact O-N 3.17Å; T63-L66 PolarHBondContact O-N 3.32Å; L66-V69 PolarHBondContact O-N 2.81Å; L66-L70 HydrophobicContact CD1-CD1 3.99Å; L66-L70 HydrophobicContact CD1-CG 4.22Å; L66-L70 HydrophobicContact CG-CD1 3.87Å; L66-L70 WeakPolarHBondContact O-CB 3.31Å; L66-L70 WeakPolarHBondContact O-CD1 3.4Å; L66-L70 WeakPolarHBondContact O-CG 3.5Å; L66-L70 PolarHBondContact O-N 3.24Å
67H93.6Very high91.1Very high33 Ų3367.9 Ų67.915%0.15335%0.353CS..Hα-helixtrans-59.5-51.2172.4-92.4-99.5000111.6Q44 M47 T63 V69 L70 D71Q44-H67 WeakPolarHBondContact CA-NE2 3.26Å; Q44-H67 PolarHBondContact N-NE2 3.03Å; M47-H67 VanDerWaalsContact CE-NE2 3.28Å; M47-H67 WeakPolarHBondContact CE-NE2 3.31Å; T63-H67 PolarHBondContact O-N 2.63Å; H67-V69 PolarHBondContact O-N 3.04Å; H67-L70 PolarHBondContact O-N 2.69Å; H67-D71 WeakPolarHBondContact O-CB 3.24Å; H67-D71 PolarHBondContact O-N 3.08Å
68G94.4Very high89.6Confident34 Ų3464.7 Ų64.735%0.35134%0.339SS..Hα-helixtrans-57.5-32.9178.100000114.3V64 W65 K72V64-G68 PolarHBondContact O-N 2.97Å; W65-G68 PolarHBondContact O-N 2.98Å; G68-K72 WeakPolarHBondContact O-CB 3.32Å; G68-K72 WeakPolarHBondContact O-CD 3.43Å; G68-K72 WeakPolarHBondContact O-CG 3.42Å; G68-K72 PolarHBondContact O-N 3.38Å
69V93.8Very high87.2Confident40 Ų4070.2 Ų70.224%0.24236%0.364CS..Hα-helixtrans-73.1-46.1172.5169.20000111.6W65 L66 H67 D71 K72 L73W65-V69 HydrophobicContact CD2-CG2 4.24Å; W65-V69 HydrophobicContact CZ2-CG2 3.93Å; W65-V69 WeakPolarHBondContact O-CG2 3.31Å; W65-V69 PolarHBondContact O-N 3.27Å; L66-V69 PolarHBondContact O-N 2.81Å; H67-V69 PolarHBondContact O-N 3.04Å; V69-D71 VanDerWaalsContact C-N 3.33Å; V69-D71 PolarHBondContact O-N 3.28Å; V69-K72 PolarHBondContact O-N 3.02Å; V69-L73 HydrophobicContact CG1-CD1 3.95Å; V69-L73 WeakPolarHBondContact O-CG 3.5Å; V69-L73 PolarHBondContact O-N 2.94Å
70L91.8Very high84.9Confident11 Ų1175.2 Ų75.26%0.05840%0.396CS..Hα-helixtrans-65.7-35.5-178.7-69.6167000112.7I11 V38 L66 H67 L73 R74I11-L70 HydrophobicContact CD1-CD2 4.22Å; V38-L70 HydrophobicContact CB-CD1 4.37Å; V38-L70 HydrophobicContact CG1-CD1 3.83Å; V38-L70 HydrophobicContact CG1-CD2 3.65Å; V38-L70 HydrophobicContact CG1-CG 4.41Å; V38-L70 HydrophobicContact CG2-CD1 3.63Å; L66-L70 HydrophobicContact CD1-CD1 3.99Å; L66-L70 HydrophobicContact CD1-CG 4.22Å; L66-L70 HydrophobicContact CG-CD1 3.87Å; L66-L70 WeakPolarHBondContact O-CB 3.31Å; L66-L70 WeakPolarHBondContact O-CD1 3.4Å; L66-L70 WeakPolarHBondContact O-CG 3.5Å; L66-L70 PolarHBondContact O-N 3.24Å; H67-L70 PolarHBondContact O-N 2.69Å; L70-L73 PolarHBondContact O-N 2.94Å; L70-R74 WeakPolarHBondContact O-CG 3.42Å; L70-R74 PolarHBondContact O-N 3.25Å
71D92.2Very high82.6Confident74 Ų7475.8 Ų75.840%0.39641%0.41SS..Hα-helixtrans-77.7-32.7-179.5-64.1-32.2000111.8H67 V69 R74 S75H67-D71 WeakPolarHBondContact O-CB 3.24Å; H67-D71 PolarHBondContact O-N 3.08Å; V69-D71 VanDerWaalsContact C-N 3.33Å; V69-D71 PolarHBondContact O-N 3.28Å; D71-R74 PolarHBondContact O-N 2.73Å; D71-R74 IonicContact OD1-CZ 2.69Å; D71-R74 IonicContact OD1-NE 3.08Å; D71-R74 PolarHBondContact OD1-NE 3.34Å; D71-R74 IonicContact OD1-NH2 2.73Å; D71-R74 PolarHBondContact OD1-NH2 3.11Å; D71-S75 PolarHBondContact O-N 3.04Å
72K90.1Very high80.1Confident149 Ų14973.4 Ų73.465%0.64842%0.418SS*.Hα-helixtrans-63.7-39.5165.5-73.8171.7-171.8-62.30112.5G68 V69 R74 S75 V76G68-K72 WeakPolarHBondContact O-CB 3.32Å; G68-K72 WeakPolarHBondContact O-CD 3.43Å; G68-K72 WeakPolarHBondContact O-CG 3.42Å; G68-K72 PolarHBondContact O-N 3.38Å; V69-K72 PolarHBondContact O-N 3.02Å; K72-R74 VanDerWaalsContact C-N 3.34Å; K72-S75 PolarHBondContact O-OG 3.42Å; K72-S75 VanDerWaalsContact O-OG 3.05Å; K72-V76 WeakPolarHBondContact O-CG2 3.31Å; K72-V76 PolarHBondContact O-N 3.36Å; K72-V76 VanDerWaalsContact O-N 3.14Å
73L87.6Confident77.5Confident66 Ų6681.6 Ų81.635%0.34646%0.46SS..Hα-helixtrans-68.7-34.7175.1-72.4170.6000111.7I11 V69 L70 T77I11-L73 HydrophobicContact CD1-CD1 3.85Å; I11-L73 HydrophobicContact CG1-CD1 3.7Å; V69-L73 HydrophobicContact CG1-CD1 3.95Å; V69-L73 WeakPolarHBondContact O-CG 3.5Å; V69-L73 PolarHBondContact O-N 2.94Å; L70-L73 PolarHBondContact O-N 2.94Å; L73-T77 WeakPolarHBondContact O-CB 3.3Å; L73-T77 PolarHBondContact O-N 3.27Å; L73-T77 PolarHBondContact O-OG1 2.84Å
74R85.3Confident75Confident114 Ų11490.7 Ų90.743%0.4350%0.5SS..Hα-helixtrans-62.8-53.6170.4-80.2-177.6-95.1-938.5111.2L70 D71 K72 V76 T77 T78L70-R74 WeakPolarHBondContact O-CG 3.42Å; L70-R74 PolarHBondContact O-N 3.25Å; D71-R74 PolarHBondContact O-N 2.73Å; D71-R74 IonicContact OD1-CZ 2.69Å; D71-R74 IonicContact OD1-NE 3.08Å; D71-R74 PolarHBondContact OD1-NE 3.34Å; D71-R74 IonicContact OD1-NH2 2.73Å; D71-R74 PolarHBondContact OD1-NH2 3.11Å; K72-R74 VanDerWaalsContact C-N 3.34Å; R74-V76 VanDerWaalsContact C-N 3.29Å; R74-V76 PolarHBondContact O-N 2.88Å; R74-T77 CarbonylContact O-C 3.5Å; R74-T77 WeakPolarHBondContact O-CA 3.35Å; R74-T77 PolarHBondContact O-N 2.94Å; R74-T78 WeakPolarHBondContact O-CG2 3.49Å; R74-T78 PolarHBondContact O-N 2.74Å; R74-T78 PolarHBondContact O-OG1 2.74Å
75S85.4Confident72.4Confident66 Ų6692.7 Ų92.746%0.46252%0.517SS..Hα-helixtrans-59.2-37.3-177.267.80000113.2D71 K72 T77 T78D71-S75 PolarHBondContact O-N 3.04Å; K72-S75 PolarHBondContact O-OG 3.42Å; K72-S75 VanDerWaalsContact O-OG 3.05Å; S75-T77 VanDerWaalsContact C-N 3.27Å; S75-T77 PolarHBondContact O-N 3.04Å; S75-T78 WeakPolarHBondContact CA-OG1 3.35Å; S75-T78 PolarHBondContact O-OG1 3.43Å
76V82.1Confident69.4Low119 Ų11994.7 Ų94.772%0.72154%0.542SS*.Hα-helixtrans-71.9-19.6175.1173.70000112.9K72 R74K72-V76 WeakPolarHBondContact O-CG2 3.31Å; K72-V76 PolarHBondContact O-N 3.36Å; K72-V76 VanDerWaalsContact O-N 3.14Å; R74-V76 VanDerWaalsContact C-N 3.29Å; R74-V76 PolarHBondContact O-N 2.88Å
77T73.9Confident66.6Low102 Ų102102 Ų10263%0.62658%0.581SS**Hα-helixtrans-97.1-17.2178.4-50.10000112.9L73 R74 S75L73-T77 WeakPolarHBondContact O-CB 3.3Å; L73-T77 PolarHBondContact O-N 3.27Å; L73-T77 PolarHBondContact O-OG1 2.84Å; R74-T77 CarbonylContact O-C 3.5Å; R74-T77 WeakPolarHBondContact O-CA 3.35Å; R74-T77 PolarHBondContact O-N 2.94Å; S75-T77 VanDerWaalsContact C-N 3.27Å; S75-T77 PolarHBondContact O-N 3.04Å
78T60.2Low64.1Low95 Ų95106.4 Ų106.458%0.58361%0.61SS**SBendtrans-91.62.4-178.750.50000114.9R74 S75 P80R74-T78 WeakPolarHBondContact O-CG2 3.49Å; R74-T78 PolarHBondContact O-N 2.74Å; R74-T78 PolarHBondContact O-OG1 2.74Å; S75-T78 WeakPolarHBondContact CA-OG1 3.35Å; S75-T78 PolarHBondContact O-OG1 3.43Å; T78-P80 WeakPolarHBondContact O-CD 3.19Å
79E40.5Very low61.1Low156 Ų156112.5 Ų112.573%0.72964%0.635SS**  trans-100.790.3174.6-71.7-61140.100111.1S81E79-S81 PolarHBondContact O-N 2.85Å; E79-S81 VanDerWaalsContact O-N 3.07Å
80P47.8Very low58.2Low109 Ų109117.6 Ų117.671%0.70866%0.659SS**  trans-79.889.7-179.833.3-36.8000111.9T78 S82T78-P80 WeakPolarHBondContact O-CD 3.19Å; P80-S82 PolarHBondContact O-N 3.35Å; P80-S82 VanDerWaalsContact O-N 3.11Å
81S43.2Very low55.3Low121 Ų121126 Ų12685%0.84670%0.695SS**  trans38.463.5147.664.50000116.9E79E79-S81 PolarHBondContact O-N 2.85Å; E79-S81 VanDerWaalsContact O-N 3.07Å
82S43Very low52.2Low109 Ų109127.8 Ų127.876%0.76271%0.705SS**  trans-102.8169.4146.5-167.70000109P80P80-S82 PolarHBondContact O-N 3.35Å; P80-S82 VanDerWaalsContact O-N 3.11Å
83L39.8Very low49.3Very low172 Ų172126.7 Ų126.790%0.90172%0.716SS**  trans65.8101.8-170.9-49.8-179.1000114.4
84K43.3Very low46.4Very low192 Ų192129.9 Ų129.984%0.83573%0.734SS**  trans-126.6126159.1177.4175.1177.21780108.5
85S41.2Very low44.1Very low114 Ų114130.3 Ų130.380%0.79775%0.749SS**  trans61.4152.8-179.532.20000115.1
86S33.9Very low41.9Very low111 Ų111132.6 Ų132.678%0.77676%0.762SS**  cis-137.6179.8952.40000113.2
87D35.8Very low39.2Very low155 Ų155132.2 Ų132.283%0.82977%0.765SS**  trans-69.9177.5-168.4-57.5-96.1000117.4
88T40Very low36.9Very low126 Ų126134.2 Ų134.277%0.77377%0.771SS**  trans-50.6140.9-176.553.80000116.3
89N31.4Very low35.5Very low161 Ų161138.4 Ų138.486%0.86178%0.782SS**  -163169.4122.7-109.5-66.5000112.1
90I33.3Very low34.8Very low148 Ų148135.7 Ų135.776%0.75978%0.78SS**  trans-127156.3-177-56.7177.4000109.3
91F30.9Very low33.7Very low186 Ų186136.9 Ų136.982%0.81678%0.78SS**  trans99.1125.4167.8-95.3-75.9000120.2
92D27.6Very low32.7Very low112 Ų112139.6 Ų139.660%0.59978%0.777SS**  trans22.5132.5161.6-92.2-74000124.2
93S29Very low32Very low126 Ų126139.3 Ų139.388%0.88178%0.775SS**  -157.5155.4114.7-83.40000113.4
94N27.3Very low31.7Very low133 Ų133143.2 Ų143.271%0.71178%0.778SS**  trans-156.7162.3-161.2-134.7-18.9000107.9
95V36Very low31Very low124 Ų124137.8 Ų137.875%0.75278%0.777SS**  cis-134.2-155.914.8-134.60000109.8
96P39.7Very low30.5Very low114 Ų114139.2 Ų139.274%0.7478%0.775SS**  trans-112.2-179-150.645.2-32.1000116.5
97S25.5Very low30.4Very low111 Ų111141.2 Ų141.278%0.77677%0.772SS**  trans-145.2131149.9-82.70000110.2
98N25.5Very low30.6Very low143 Ų143141.7 Ų141.777%0.76576%0.762SS**  cis92.9143.641.1-170.818.9000112
99K30.4Very low30.5Very low184 Ų184144.6 Ų144.680%0.876%0.759SS**  trans74153.8-169.4-54.7173.4-177174.40115.3
100S26.5Very low30.9Very low99 Ų99143.5 Ų143.569%0.69275%0.749SS**  cis-176.1131.2-38.351.60000109.5
101N23.8Very low30.7Very low133 Ų133143.5 Ų143.571%0.71175%0.745SS**  trans21.9136.9142.4-62.9-0.4000122.9
102F23.2Very low30.8Very low179 Ų179139 Ų13979%0.78574%0.742SS**  trans83.4104.7143.9-60.7-44.6000122.6
103S28.2Very low30.9Very low103 Ų103137.7 Ų137.772%0.7275%0.748SS**  67.9118.5112.4-52.40000122.4
104R32.4Very low31Very low254 Ų254138.2 Ų138.296%0.95875%0.745SS**  -171.5152.5118.7-103.7167.5170.5-154.9-5.3110.4
105G28.8Very low31.9Very low78 Ų78137.1 Ų137.180%0.80475%0.745SS**  cis-162176.40.300000112.9
106D31.1Very low33.5Very low144 Ų144136.4 Ų136.477%0.7774%0.743SS**  trans-119.3152.6-171.6170-81.5000111.1R108D106-R108 PolarHBondContact OD1-N 3.44Å
107E32.6Very low32.8Very low152 Ų152139 Ų13971%0.7175%0.749SS**  trans-132.485.4164.4-79.4-98.772.400112.8
108R38.8Very low32.9Very low166 Ų166138.1 Ų138.163%0.62675%0.75SS**  94.195109.2-165.6-172.6-63-1232.8120.9D106D106-R108 PolarHBondContact OD1-N 3.44Å
109R39.6Very low33Very low187 Ų187139.2 Ų139.271%0.70675%0.753SS**  trans70.4160.9136.1-59.5175.6155.8-136.3-3.3119.5
110H39.5Very low34.1Very low138 Ų138136.1 Ų136.164%0.63975%0.752SS**  cis-135.5-176.17.5-51.268.2000109.7
111E29.1Very low33.9Very low147 Ų147137 Ų13769%0.68776%0.759SS**  cis-160.7170.5-3.1-154.853.4112.700111.3
112A31.7Very low34.3Very low91 Ų91136.8 Ų136.875%0.75276%0.762SS**  trans66.7147.1155.800000121.2
113A29.6Very low34.9Very low86 Ų86138.4 Ų138.471%0.71176%0.763SS**  cis-168.9162.3-22.500000112.2
114V31.2Very low35.7Very low136 Ų136138.2 Ų138.282%0.82476%0.759SS**  trans76.8130.6161.5-163.30000120.8
115P47.3Very low35.6Very low111 Ų111132.5 Ų132.572%0.72174%0.743SS**  trans-127.2-153.7169.847-33.8000112.3
116P68.8Low35.7Very low108 Ų108137.7 Ų137.770%0.70174%0.744SS**  cis-130.4-145.9-34.337.2-15.8000113.2
117L25.8Very low35.9Very low168 Ų168140 Ų14088%0.8874%0.742SS**  trans103.5145.3164.6-59180000117.1
118A25.9Very low35.5Very low94 Ų94139.7 Ų139.778%0.77775%0.745SS**  cis-150-162.2-5.700000112.4
119I28.4Very low35.1Very low165 Ų165137 Ų13785%0.84675%0.751SS**  trans-122.4-142.4-158.6-7.5174.2000117
120P53.1Low34.8Very low119 Ų119140 Ų14077%0.77376%0.763SS**  -121.2177.3-10435.3-15.3000118.6
121S22.6Very low34.2Very low119 Ų119139.7 Ų139.783%0.83277%0.771SS**  trans-161-180153.2-157.30000114.6
122T31.5Very low34.2Very low127 Ų127137.4 Ų137.478%0.77977%0.771SS**  trans-138.4-177.9-154.864.40000114.9
123R37.1Very low34.2Very low214 Ų214139.2 Ų139.281%0.80877%0.772SS**  cis-150.8-7617.7-159.3-174160.3170.3-7121.3
124P44.3Very low34Very low99 Ų99140.7 Ų140.764%0.64378%0.778SS**  -133.3148.5-129.638.6-21.4000123.1
125E31.3Very low34Very low133 Ų133139.6 Ų139.662%0.62178%0.776SS**  trans39.7130.6137-74.3-177.570.100126.3R127E125-R127 IonicContact OE1-NH2 3.94Å
126K30.5Very low33Very low188 Ų188142.4 Ų142.482%0.81778%0.78SS**  -169.3126.2111.7-98.2166.1-176.6176.60109.3
127R34.5Very low31Very low191 Ų191144.8 Ų144.872%0.72178%0.781SS**  66.9141.586.2-71.6-167.6-152.2-177.65.5115.2E125E125-R127 IonicContact OE1-NH2 3.94Å
128D25.5Very low31.1Very low146 Ų146142.3 Ų142.378%0.78178%0.778SS**  cis-138171.714.5-106.5-49.6000113.9
129S30.1Very low31.3Very low109 Ų109146.4 Ų146.476%0.76278%0.779SS**  trans-134.3154.2-176.5-530000113.1
130R32.1Very low31.3Very low251 Ų251144.3 Ų144.395%0.94777%0.773SS**  trans-151.1154.4157.7-107.3175.6-159.3-150.93112.4
131V27.4Very low30.1Very low132 Ų132144.4 Ų144.480%0.877%0.772SS**  trans-148.1161-162.7175.50000110.4
132S29.4Very low30.4Very low98 Ų98145.3 Ų145.369%0.68577%0.767SS**  trans83.9102.8157.8-95.30000122.3
133T30.9Very low30.3Very low129 Ų129144.7 Ų144.779%0.79176%0.763SS**  41.7115.5110.361.80000122.7
134S27Very low30Very low118 Ų118144.2 Ų144.283%0.82576%0.761SS**  trans-159.1145.3134.150.30000107.4
135S29.9Very low29.4Very low113 Ų113145.7 Ų145.779%0.7976%0.76SS**  cis97.9154.235-159.40000113
136Q27.6Very low29.2Very low170 Ų170143.4 Ų143.479%0.79476%0.755SS**  trans77.8153-171.1-58.7-169.5-5200116.9
137E25.4Very low29.3Very low157 Ų157143.2 Ų143.273%0.73475%0.751SS**  cis-172.9153.1-40.7-121.9-178.7107.300110.3
138S28Very low29Very low116 Ų116141.3 Ų141.381%0.81176%0.755SS**  trans66.9161.7159.984.30000118.5
139K30.6Very low29.3Very low181 Ų181141.7 Ų141.779%0.78776%0.757SS**  cis-174.4164.7-27.3-178.9-178.6-177.4177.80109.3
140T27.8Very low29.3Very low120 Ų120139.9 Ų139.974%0.73676%0.755SS**  trans69.3150.4174.174.40000116.1
141T28.5Very low29.3Very low121 Ų121132.4 Ų132.474%0.74275%0.747SS**  cis-157.8164.1-12.714.50000106.3
142N29.8Very low29.4Very low138 Ų138130.4 Ų130.474%0.73874%0.744SS**  cis-168.2174.836.8-145.4-21.1000111.2
143V28.6Very low29.5Very low115 Ų115131.7 Ų131.770%0.69775%0.748SS**  trans44.997.7160.8-173.90000117.6
144R30.2Very low29.6Very low203 Ų203136 Ų13677%0.76675%0.75SS**  65.8113.885.3-81.3-175.6167.4-150.56.8117.8
145Q31.9Very low30.1Very low131 Ų131136.1 Ų136.161%0.61274%0.74SS**  76.7142.8129.9-61.7-176.5-84.200118.8
146T28.3Very low30Very low84 Ų84138.7 Ų138.752%0.51574%0.742SS.*  cis-171.8174-0.119.50000113.7
147Y32Very low30.2Very low185 Ų185135.6 Ų135.673%0.72574%0.74SS**  trans2.2160.9151.954.2-129.8000122.1
148D28.9Very low31.1Very low151 Ų151134 Ų13481%0.80774%0.741SS**  cis-153.6-178.15.7-139.4-143.5000114.7
149D30Very low31.3Very low154 Ų154135.1 Ų135.182%0.82474%0.742SS**  trans-46.7-173.6162.3-149.5-74.7000116.7
150G31.7Very low31.8Very low71 Ų71135.6 Ų135.673%0.73274%0.744SS**  trans135.8100160.500000115.8
151A30.5Very low32.9Very low94 Ų94135.2 Ų135.278%0.77774%0.744SS**  trans-107.1168.7177.900000114.3
152A29.4Very low33Very low90 Ų90136.2 Ų136.274%0.74474%0.744SS**  trans73.5154.1158.100000118.5
153T32.6Very low33.2Very low124 Ų124138.7 Ų138.776%0.76174%0.743SS**  cis-165.5174-18.131.50000109.2
154R33.5Very low33.3Very low221 Ų221139.8 Ų139.883%0.83474%0.74SS**  trans75.3149.1161.4-63.6-166.6154.1-147.9-4.1116.6
155L36.3Very low34Very low119 Ų119135.9 Ų135.962%0.62374%0.741SS**  cis-161.4160.1-9.9-118.1177.4000111.7
156M29.1Very low34.2Very low167 Ų167134.4 Ų134.482%0.82375%0.752SS**  trans67.4162.5168.7-29.3-149.484.300115.3
157S31.3Very low35.1Very low106 Ų106135.8 Ų135.874%0.74176%0.762SS**  cis-144.6-177.3-1-158.10000111.4
158T43.3Very low35.7Very low124 Ų124131.9 Ų131.976%0.76176%0.761SS**  trans-80.1163.6174.951.90000113.3
159V32.8Very low36.2Very low138 Ų138133.2 Ų133.284%0.83676%0.763SS**  trans150.7148.4143.7162.50000113.1
160K41.9Very low36.5Very low191 Ų191133.4 Ų133.483%0.8376%0.764SS**  trans-112168.3166.6-62177.3172.3177.80108.4
161P50.3Low36.7Very low113 Ų113135 Ų13573%0.73476%0.759SS**  cis-145.6-159.113.231.7-4.5000115.3
162L29.9Very low36.8Very low141 Ų141138.8 Ų138.874%0.73877%0.765SS**  106133128.4-144.277.3000122.4
163R35.5Very low37Very low191 Ų191140.3 Ų140.372%0.72176%0.76SS**  trans62.8162147.7-94.5179.2137.3103.59.7119.7
164E30.7Very low37.1Very low138 Ų138142.2 Ų142.265%0.64576%0.764SS**  cis-162.3163.8-13.6-167.6152.6-141.800110.1
165P43.9Very low37.1Very low121 Ų121139.2 Ų139.279%0.78676%0.757SS**  trans-121.2136.417638.1-25.3000117
166A37Very low38.2Very low100 Ų100139 Ų13983%0.82676%0.763SS**  trans177.9161.6163.200000107.9
167P47.1Very low38.8Very low112 Ų112139.7 Ų139.773%0.72776%0.764SS**  cis-116.416831.116.19.7000113.5
168S44.3Very low40.4Very low103 Ų103139.8 Ų139.872%0.7276%0.762SS**  cis76.8147.938.391.50000114.5
169E38.8Very low39.9Very low179 Ų179141.3 Ų141.384%0.83677%0.766SS**  cis-104.6-11511.7-64.3-174.570.700115.5
170D37.4Very low40.1Very low158 Ų158141.6 Ų141.685%0.84576%0.763SS**  cis-150.3170.215.4-177.623.8000110.6
171V36.1Very low40.6Very low105 Ų105139.6 Ų139.664%0.63676%0.76SS**  trans-142.6144.3-152.3178.60000117.5
172I32.6Very low39.8Very low174 Ų174141.8 Ų141.889%0.89276%0.764SS**  trans-136.4143.1147.9-60.7-175.5000109.9
173D32.8Very low40.2Very low121 Ų121141.7 Ų141.765%0.64776%0.764SS**  trans-125.8147.9-170.316350.7000112.9K175D173-K175 PolarHBondContact OD1-N 3.18Å
174I33.9Very low40.6Very low164 Ų164141 Ų14184%0.84177%0.769SS**  trans-142.986.4150-53.1-176.6000111
175K34.6Very low41.2Very low159 Ų159141.2 Ų141.269%0.69178%0.775SS**  47.2128127.8-163.5175.9-179.3-173.90121.4D173D173-K175 PolarHBondContact OD1-N 3.18Å
176P58.8Low40.9Very low114 Ų114142.8 Ų142.874%0.7478%0.776SS**  trans-101.6174.1172.741.2-36.2000114.7
177E41.1Very low41.1Very low181 Ų181145.2 Ų145.285%0.84678%0.775SS**  trans-157.2170.3146.5-101.6-163143.500110.5
178P65.6Low40.4Very low109 Ų109149 Ų14971%0.70878%0.78SS**  trans-121.8-172.5-14745.7-35.7000116.4
179D33.5Very low40.1Very low156 Ų156148.7 Ų148.783%0.83477%0.774SS**  trans172147.6147.1-88.8-14000108.3
180D35.5Very low39.8Very low144 Ų144147.8 Ų147.877%0.7777%0.77SS**  cis-153.8-176.7-27.3-163.62.3000108.1
181L52.7Low39.4Very low149 Ų149147.6 Ų147.678%0.7876%0.764SS**  trans-89.6-159.3-170.4-69.1167.9000115.1
182I34.1Very low39.1Very low158 Ų158149.3 Ų149.381%0.8177%0.769SS**  trans70.6148.5164.364.5159.2000120.1
183D37.5Very low40.2Very low140 Ų140145.2 Ų145.275%0.74975%0.754SS**  cis-162.6-157.7-34.1-143.6-88.2000110.7
184E44.2Very low40.1Very low176 Ų176146.7 Ų146.782%0.82276%0.761SS**  trans-72.7140.6-173.6-66.9-174.6113.700118.4
185D43.7Very low40.2Very low143 Ų143143.7 Ų143.777%0.76576%0.755SS**  trans56169137.4-152.924.6000123.7
186L38.2Very low40.2Very low154 Ų154144 Ų14481%0.80676%0.759SS**  trans103.8139162.6-58179.5000119.9
187N40.1Very low39.1Very low151 Ų151146.8 Ų146.881%0.80776%0.759SS**  trans-103.1139.5172.7-76.9-87.7000110.9
188F32.1Very low38.9Very low191 Ų191148 Ų14884%0.83876%0.762SS**  trans-172.3123.6135.5-117.9-132000109.4
189V37.6Very low38Very low97 Ų97148 Ų14859%0.58876%0.761SS**  90.497.483.9165.90000114.8
190Q32.5Very low37.7Very low159 Ų159146.6 Ų146.674%0.74376%0.759SS**  88.5153.7122.7-153.1-175.4-31.100122.2
191E29.3Very low37.4Very low154 Ų154146.3 Ų146.372%0.7276%0.762SS**  trans94.3153.8164.4-71.1-47.2132.400122.2
192N31.1Very low36.4Very low142 Ų142144.4 Ų144.476%0.75976%0.756SS**  trans-127.1-151.4-160.2-148.83000107.2
193P55.8Low36.1Very low88 Ų88144.9 Ų144.957%0.57176%0.76SS**  cis-136.8-168.2-17.429.7-4.5000115.3
194L30.6Very low35.8Very low152 Ų152143.3 Ų143.380%0.79676%0.755SS**  trans86.1122161.8-50.5173.3000116.6
195S35.7Very low35.2Very low101 Ų101146.2 Ų146.271%0.70676%0.76SS**  cis88.9119.234-66.90000116.2
196Q34.3Very low34.5Very low166 Ų166142.8 Ų142.878%0.77676%0.759SS**  177.7117.1115.7-92.8-17180.200111.6
197K36.8Very low33.9Very low172 Ų172140.9 Ų140.975%0.74876%0.759SS**  78122.985.3-74.5-176.1-165.7169.30116.4
198K36.2Very low33.6Very low206 Ų206138.9 Ų138.990%0.89676%0.756SS**  trans-172.3159.8139-101.4151.9-172.2177.10111.2
199P46Very low34.1Very low108 Ų108141 Ų14170%0.70176%0.759SS**  -143-163-119.741.1-19.9000117.2
200T28.7Very low34.7Very low127 Ų127141.8 Ų141.878%0.77977%0.766SS**  trans75.9149163.113.40000116.3
201V29Very low34.4Very low139 Ų139139.3 Ų139.384%0.84277%0.766SS**  cis-131.9158.711.1-176.10000112.2
202T31.1Very low34.4Very low108 Ų108139.1 Ų139.166%0.66377%0.769SS**  trans-85.1150-174.9-40.20000115.7T204T202-T204 HydrophobicContact CG2-CG2 4.07Å
203L28.3Very low34.4Very low169 Ų169140.1 Ų140.189%0.88577%0.769SS**  trans-158.1148.3137.8-115.6170.8000111.5
204T31.6Very low33.2Very low106 Ų106143.6 Ų143.665%0.6578%0.781SS**  trans-152.4138.2-163.751.30000114.9T202T202-T204 HydrophobicContact CG2-CG2 4.07Å
205Y30Very low33.1Very low237 Ų237146.3 Ų146.393%0.92978%0.782SS**  trans-149.5142.6145-94.4-86.6000105.1
206G28.8Very low32.8Very low72 Ų72151.7 Ų151.774%0.74279%0.787SS**  cis93.9122.74800000108.2
207S26.5Very low33.6Very low113 Ų113149 Ų14979%0.7978%0.784SS**  cis-155.2-178.58.1-174.90000110.6
208S33.4Very low34.2Very low109 Ų109146.8 Ų146.876%0.76279%0.787SS**  trans-141.9114.2165.5-870000112.5
209R43Very low33.8Very low236 Ų236141.4 Ų141.489%0.89178%0.781SS**  trans68.7170.3167-60.4-174.5-179-128.5-2.5113.5
210P50.5Low33.2Very low114 Ų114141.2 Ų141.274%0.7478%0.782SS**  cis-136.5-153.114.143.9-24000115.4
211S25.4Very low33.5Very low107 Ų107146 Ų14675%0.74879%0.786SS**  trans75148.6167.111.40000117.4
212I30.5Very low33.6Very low150 Ų150145.9 Ų145.977%0.76978%0.781SS**  cis-151.4179.4-9.2-163.349.7000111
213E30.8Very low34Very low162 Ų162145.1 Ų145.176%0.75779%0.785SS**  trans-70.7177.4-173-57.7167.211800117.7
214I31.1Very low34.3Very low161 Ų161144.1 Ų144.183%0.82678%0.781SS**  trans133.9138.5149.8-73.8166.6000111
215Y26.7Very low34.4Very low210 Ų210144.7 Ų144.782%0.82479%0.789SS**  cis-128.6-127.48.4-174.3-124.7000113.4
216R30.5Very low34.5Very low213 Ų213136.7 Ų136.780%0.80478%0.779SS**  trans-145.8168.9-177.2-103.8-165-177.3117.24.8112.4
217P50.1Low34.7Very low110 Ų110139 Ų13971%0.71478%0.778SS**  trans-85.2-168.5178.543.7-41.6000110.9
218P49.5Very low35Very low125 Ų125141.5 Ų141.581%0.81278%0.777SS**  cis-132.1-170.13246.7-26.6000113.6
219A27.8Very low34.9Very low93 Ų93142.2 Ų142.277%0.76977%0.772SS**  cis-137.7151.739.700000112
220S33.4Very low34.2Very low104 Ų104137.4 Ų137.473%0.72776%0.763SS**  cis86.797.935.8-171.20000115.5
221R35Very low33.3Very low228 Ų228142.4 Ų142.486%0.8677%0.768SS**  -167.3115.8125.6-111.9178.9169.3-171.2-5113.3
222N32.3Very low33.5Very low137 Ų137143.8 Ų143.873%0.73377%0.766SS**  trans43.5117.5140.9-54.112.3000119
223A38.2Very low33.4Very low91 Ų91144.6 Ų144.675%0.75277%0.766SS**  79.514670.100000113.1
224D35.9Very low33.3Very low149 Ų149145.2 Ų145.280%0.79777%0.767SS**  cis-156.4176.111-143-43.3000112.6
225S33.1Very low33.2Very low117 Ų117144.3 Ų144.382%0.81876%0.759SS**  trans68.4143.2168.8-54.60000118.5
226G31.7Very low33.3Very low70 Ų70140.6 Ų140.672%0.72275%0.75SS**  cis-173.4148.5-5.800000113.7
227V33.4Very low33.3Very low120 Ų120137.4 Ų137.473%0.72774%0.744SS**  trans-42.2153.9173.8-112.40000115.2L229V227-L229 HydrophobicContact CG1-CD1 4.13Å
228H32.4Very low32.3Very low165 Ų165138.8 Ų138.876%0.76474%0.74SS**  cis-152.314541-116.5-98.3000109.1
229L31.4Very low31.3Very low125 Ų125139.5 Ų139.565%0.65474%0.737SS**  62133.452.6-65-179.6000115.8V227V227-L229 HydrophobicContact CG1-CD1 4.13Å
230N29.3Very low31.3Very low134 Ų134140 Ų14072%0.71774%0.735SS**  cis-175.2-178.1-17.3-152.5-53.3000108.8
231R30.1Very low31.2Very low219 Ų219142 Ų14283%0.82674%0.737SS**  trans67.4120153.8-176.4178.1-69.5-113.3-2.2117.4
232L29.2Very low31Very low136 Ų136139.6 Ų139.671%0.71274%0.735SS**  82.1127.950.4-75.1168.1000116.4
233Q29.5Very low30.8Very low167 Ų167137.8 Ų137.878%0.7874%0.739SS**  trans67.9152.2149.7-80175.3-3400119
234F28.6Very low30.2Very low176 Ų176137.4 Ų137.477%0.77274%0.736SS**  cis-166.5171.5-20-145-130.5000109.7
235Q28.5Very low30.1Very low142 Ų142139.9 Ų139.966%0.66474%0.74SS**  trans74.398.4144.5-156.4155.44.900123.9
236Q28.9Very low30Very low132 Ų132141.8 Ų141.862%0.61774%0.735SS**  72.4122.7116.2-167.2178.47.400124.4
237Q31.3Very low30.1Very low145 Ų145144 Ų14468%0.67873%0.73SS**  trans71159.4152.3-74.7173.416.100118.2
238Q29.5Very low29.9Very low139 Ų139144.8 Ų144.865%0.6573%0.73SS**  cis-157158.915.3-139.716771.400112.3
239N27.5Very low30Very low140 Ų140143.7 Ų143.775%0.74973%0.727SS**  trans65.7160.9160.9-57.6-29.6000119.4
240S28.1Very low30Very low104 Ų104144.2 Ų144.273%0.72773%0.726SS**  cis-172.6177.8-31.4-173.50000110.7
241I31.7Very low29.8Very low146 Ų146144.3 Ų144.375%0.74973%0.727SS**  trans86.9113.9158.1-42.9-174.1000121.5
242H30Very low29.7Very low177 Ų177137.2 Ų137.282%0.81971%0.711SS**  trans29.1136.3150.1-60-53.7000128
243A27.4Very low29.6Very low99 Ų99140 Ų14082%0.81871%0.712SS**  trans74.1155.3130.500000122.5
244A27Very low29.6Very low84 Ų84138 Ų13869%0.69471%0.711SS**  cis-171.8152.4-28.300000112.8
245K33.9Very low29.6Very low201 Ų201138.8 Ų138.887%0.87471%0.71SS**  trans70.6159.6168.5-52.4177178.9175.80115.5
246Q29.5Very low29.4Very low156 Ų156140.6 Ų140.673%0.72972%0.719SS**  cis-155.614511.3-161.3169.9-20.600113.6
247L34.7Very low29.3Very low117 Ų117141.1 Ų141.161%0.61373%0.731SS**  trans50.5154.3158.4-71166.5000119.9M249L247-M249 HydrophobicContact CD2-CB 4.41Å; L247-M249 HydrophobicContact CD2-CE 3.78Å
248D30Very low29.1Very low136 Ų136137.6 Ų137.673%0.72773%0.733SS**  cis-124.8152.310.8-90.3-52.7000110.6
249M32.9Very low28.9Very low142 Ų142141.5 Ų141.570%0.774%0.742SS**  cis80.912347.2-164.184.481.200112.7L247L247-M249 HydrophobicContact CD2-CB 4.41Å; L247-M249 HydrophobicContact CD2-CE 3.78Å
250Q33.3Very low28.9Very low136 Ų136141.2 Ų141.264%0.63674%0.74SS**  cis-172.6162-8.6173.259.437.500110.3
251N25.1Very low28.8Very low136 Ų136141.9 Ų141.973%0.72774%0.743SS**  trans82158.1164.2-66.1-34.1000121.9
252S27.7Very low28.5Very low70 Ų70143 Ų14349%0.4975%0.745SS.*  cis-175.4150.9-40.5-150.10000112.3
253W26.2Very low29.3Very low196 Ų196138.7 Ų138.774%0.74273%0.733SS**  trans44.7145.9156.1-57.4-28.2000121.6Y255W253-Y255 HydrophobicContact CB-CE2 4.36Å
254V29.7Very low29.2Very low125 Ų125142.3 Ų142.376%0.75873%0.733SS**  cis82.789.423.7-171.90000115.9
255Y28Very low29.4Very low192 Ų192143.6 Ų143.675%0.75373%0.732SS**  trans-150.2138.9156-38.1-84.3000104.9W253W253-Y255 HydrophobicContact CB-CE2 4.36Å
256E25.1Very low29.2Very low180 Ų180140.6 Ų140.684%0.84173%0.725SS**  cis87.5138.729.1-164.8159.4-156.200115.3
257T27.6Very low29Very low143 Ų143140 Ų14088%0.87773%0.727SS**  trans68.7146.9-165.772.40000115.6
258G25.8Very low28.8Very low70 Ų70140.6 Ų140.672%0.72274%0.74SS**  cis168.9159.2-11.600000114.2
259R26.7Very low28.8Very low221 Ų221140.5 Ų140.583%0.83474%0.739SS**  trans68.3118.8168.5-68.2-170.7178.4-80.51.2120.8
260L27Very low28.6Very low134 Ų134140.7 Ų140.770%0.70274%0.738SS**  61.4148.5120.4-61.2173000123.3
261C25Very low28.6Very low118 Ų118141.7 Ų141.780%0.79774%0.743SS**  trans77.395.8148.6-73.50000120.8
262E25.9Very low28.8Very low170 Ų170140.1 Ų140.179%0.79474%0.738SS**  -23.9160.2114.5-75.6-76.8117.300115.8
263P46.5Very low28.7Very low87 Ų87147.5 Ų147.557%0.56576%0.757SS**  cis-139.9-169.91.731.5-7000115.8
264E26.6Very low29.1Very low174 Ų174142.9 Ų142.981%0.81375%0.754SS**  trans89.1150.2130.3-101.2170.8-157.900125.4
265V30.2Very low30Very low111 Ų111141.4 Ų141.467%0.67375%0.747SS**  trans93.889.6141.8159.30000122.1
266L29.4Very low30Very low139 Ų139140.3 Ų140.373%0.72875%0.747SS**  91.4134.8126-65.8-178.3000125.2
267N26.6Very low30.1Very low144 Ų144140.5 Ų140.577%0.7775%0.745SS**  trans66.1119.1139-65-13.6000122.9
268S29.2Very low30.2Very low128 Ų128145.8 Ų145.890%0.89575%0.749SS**  -151.2178.998.9-154.90000111.7
269L31.3Very low30.2Very low134 Ų134149.7 Ų149.770%0.70275%0.753SS**  trans-128.4177.4-154.5-166.160.6000113.6
270E28.3Very low30.1Very low147 Ų147144.4 Ų144.469%0.68775%0.751SS**  trans67.3146.2167.5-95.380.2-112.700117.7
271E31.9Very low30.2Very low157 Ų157142.2 Ų142.273%0.73475%0.747SS**  cis-167.1177.7-17.3-141.2-169.4-170.100112.9
272T29.6Very low30.5Very low102 Ų102143.4 Ų143.463%0.62674%0.74SS**  trans74.698.4139.6-70.60000121.4
273Y26.2Very low30.7Very low225 Ų225142.7 Ų142.788%0.88274%0.735SS**  60.9133.3129.3-106.2-110.3000123.6
274S33.8Very low29.8Very low99 Ų99146.4 Ų146.469%0.69275%0.747SS**  trans-106.4170.2156.6-138.50000107.7
275P48.3Very low29.8Very low94 Ų94143.3 Ų143.361%0.6174%0.744SS**  cis-163.8-18047.446.7-24000121.1
276F28.9Very low29.7Very low170 Ų170146.3 Ų146.375%0.74675%0.753SS**  trans77.1144139.5-75.8-47000126.1
277F28.4Very low29.9Very low183 Ų183149.1 Ų149.180%0.80376%0.762SS**  trans69.3114.9154.8-62.3-54.9000123.2
278R28.4Very low30.3Very low254 Ų254149.6 Ų149.696%0.95877%0.765SS**  -155.6171117.2-112.9179.4-167.5-119.42.4112.3
279N27.1Very low30.5Very low152 Ų152150.5 Ų150.581%0.81376%0.755SS**  trans-141.9175.7-174.2-161.417.5000109.8
280S24Very low30.6Very low111 Ų111148.9 Ų148.978%0.77675%0.747SS**  trans80.3150.8177.3-56.50000116.8
281S29.2Very low30.9Very low88 Ų88148.5 Ų148.562%0.61574%0.743SS**  cis-167.2162.1-21.7-170.80000110.9
282E30Very low31.6Very low142 Ų142151.6 Ų151.666%0.66475%0.748SS**  trans77.7140.7144.6-94.3158.3-102.500126.2
283K30.8Very low32.2Very low155 Ų155156 Ų15667%0.67476%0.759SS**  trans99.582.9140.5-78.3159.7177.5144.70123.8
284M28.3Very low33.2Very low166 Ų166156.3 Ų156.382%0.81876%0.758SS**  48.6127.9120.270179.356.300125.3
285S25.4Very low33.3Very low109 Ų109160.8 Ų160.876%0.76277%0.765SS**  trans-171.8111.7132.3-167.70000107.2
286M28.4Very low32.8Very low173 Ų173163.9 Ų163.985%0.85278%0.776SS**  62.398.174.2-66.1-152.5-52.500115.9
287E34.7Very low33.8Very low198 Ų198161.6 Ų161.693%0.92578%0.778SS**  -156.3179.5109.163.3-175.1152.200110.1
288D34.8Very low34.1Very low154 Ų154159.4 Ų159.482%0.82478%0.779SS**  trans-134.3-172.8-142.6-129.5-50.8000116.6
289E33.6Very low34.4Very low148 Ų148154 Ų15469%0.69277%0.774SS**  trans78.3136.8169.2-63.5-69.393.200119.5
290N33Very low34.7Very low99 Ų99151.7 Ų151.753%0.52977%0.77SS.*  cis-160.5169.4-23.1-154.1-26.7000111.6
291F33.4Very low35.4Very low139 Ų139151.6 Ų151.661%0.6177%0.769SS**  trans103.993.7149.8-61.5-47.7000122.4
292R46.9Very low35.5Very low222 Ų222153 Ų15384%0.83877%0.774SS**  89.8145.1129.8-63.1169.5-165.3-120.6-3.7117.8
293K41.7Very low35.6Very low196 Ų196152.6 Ų152.685%0.85278%0.781SS**  trans-132.9177.3-157.2-57.6177.4179.4177.60111.2
294R48.8Very low35.7Very low230 Ų230153.6 Ų153.687%0.86879%0.785SS**  trans104.3139.8160.2-56.5159.8-171-179.34.5114
295K35.9Very low36.3Very low193 Ų193152 Ų15284%0.83979%0.785SS**  cis-158.9152.3-8.8-115.5176.2-179.1-170.50109.3
296L38Very low36.6Very low160 Ų160155.7 Ų155.784%0.83879%0.787SS**  trans-112.4157.1163.5-72.3173.2000109.9
297P48.1Very low37.2Very low121 Ų121155.4 Ų155.479%0.78678%0.781SS**  trans-106.6136.3157.235.2-26.1000112
298V34.8Very low36.8Very low137 Ų137154.4 Ų154.483%0.8377%0.774SS**  trans-141.9110.11681740000109.8
299V35.5Very low37Very low140 Ų140152.9 Ų152.985%0.84877%0.766SS**  trans-163.3135.8172.3177.10000104.8
300S34Very low37Very low104 Ų104154.2 Ų154.273%0.72777%0.772SS**  cis-154-161.6-15.453.10000106.4
301S37.3Very low36.9Very low109 Ų109156.3 Ų156.376%0.76278%0.783SS**  cis-158.1-1688.8-151.80000112.8
302V32.9Very low36.8Very low117 Ų117152.6 Ų152.671%0.70978%0.784SS**  trans-87.2150.2174.9-178.50000109.3K304V302-K304 HydrophobicContact CG1-CB 4.29Å
303V31.4Very low36.1Very low135 Ų135150.3 Ų150.382%0.81878%0.783SS**  -153.6125.667.4175.50000107.8
304K33.7Very low35.5Very low175 Ų175148.9 Ų148.976%0.76178%0.779SS**  84.382.255.5-164.9179.8178.7178.20116V302V302-K304 HydrophobicContact CG1-CB 4.29Å
305V39.5Very low34.8Very low134 Ų134146.3 Ų146.381%0.81278%0.777SS**  trans33.8122.2135.8-171.20000119.9
306K31.8Very low34.9Very low185 Ų185146 Ų14680%0.80478%0.778SS**  trans-136.4142.6139-172.175.2174.7-170.80108.6
307K40.3Very low34.9Very low168 Ų168147.9 Ų147.973%0.7378%0.783SS**  trans-132.3144.5171.1-162.6-171.2-176.7-166.20107.8
308F27.1Very low34.4Very low176 Ų176150.3 Ų150.377%0.77278%0.784SS**  trans-151.6158.9169.3-131.1-99000108.6
309N38.8Very low34.2Very low123 Ų123150.7 Ų150.766%0.65878%0.781SS**  trans-132.4140.5169.8-26-83.7000109.6
310H34.3Very low34.2Very low176 Ų176151 Ų15182%0.81578%0.778SS**  trans-163.2135.8160.5-132.421000103.2
311D31.5Very low34.1Very low142 Ų142155.8 Ų155.876%0.75978%0.781SS**  cis67.713645.2-70.9-63.2000113.6
312G31.3Very low34Very low61 Ų61153.4 Ų153.463%0.62978%0.775SS**  trans86.9118-158.100000110.6
313E31.6Very low34.2Very low175 Ų175153.1 Ų153.182%0.81878%0.778SS**  cis85.9132.141.3-63.7176.5153.700113.6
314E29.5Very low34.5Very low165 Ų165157.7 Ų157.777%0.77178%0.78SS**  trans64.3152.7157.2-70.8164.2-166.200117.6
315E33.2Very low34.6Very low177 Ų177156.3 Ų156.383%0.82779%0.787SS**  cis-147.1-167.2-18.5-136171.9-163.400110.4
316E37.9Very low34.5Very low186 Ų186153.5 Ų153.587%0.86979%0.785SS**  trans-78145.8172.6-56.1174.9154.800111.1
317E38.7Very low34.9Very low200 Ų200150.3 Ų150.394%0.93579%0.786SS**  trans-154.4154.5148.3-138.6171.1-162.500112.5
318E37Very low34.8Very low172 Ų172150.2 Ų150.280%0.80479%0.792SS**  trans-95.6166.1-173.6-84178.3127.700113.8
319D31.4Very low35.4Very low144 Ų144147.6 Ų147.677%0.7780%0.795SS**  trans64.7123142-73.1-0.5000125.1
320D35.7Very low35.4Very low148 Ų148147.1 Ų147.179%0.79180%0.802SS**  trans85.7150.9130.9-155.132.6000122.9
321Y31.4Very low35.8Very low203 Ų203143.8 Ų143.880%0.79680%0.798SS**  trans71.386.9154.7-129.4-94.1000122
322G35Very low36Very low60 Ų60143.1 Ų143.162%0.61980%0.799SS**  102.1106.3106.400000120.8
323S38Very low36.7Very low111 Ų111145.5 Ų145.578%0.77681%0.806SS**  trans75.2120.2139.5-690000122.9
324R36.9Very low37.4Very low230 Ų230143.2 Ų143.287%0.86880%0.803SS**  trans63.3117.3144.7-56.6176.3177.9-130.4-0.6117
325T36.3Very low38.1Very low146 Ų146140.8 Ų140.890%0.89680%0.802SS**  -176.6166.772.536.20000111.1
326G35.8Very low38.9Very low76 Ų76137 Ų13778%0.78480%0.801SS**  trans106.1102.715800000116.7
327S41.8Very low39.5Very low117 Ų117137.4 Ų137.482%0.81880%0.8SS**  trans-80.4135.4177-52.40000113.2
328I36.8Very low40.2Very low166 Ų166133.8 Ų133.885%0.85179%0.794SS**  trans-134.8100152.147.4161.2000111.6S330I328-S330 PolarHBondContact O-N 3.04Å
329S39.9Very low41.3Very low121 Ų121134.4 Ų134.485%0.84680%0.796SS**  trans-79.197.4173.3-57.70000110.9S331S329-S331 PolarHBondContact O-N 3.34Å
330S39.2Very low42.6Very low113 Ų113139.4 Ų139.479%0.7981%0.805SS**  trans-87.6100.6175-167.70000111.1I328I328-S330 PolarHBondContact O-N 3.04Å
331S42.6Very low43.9Very low106 Ų106143.5 Ų143.574%0.74181%0.809SS**  trans-85.6112.1178.443.40000111.3S329 S333S329-S331 PolarHBondContact O-N 3.34Å; S331-S333 PolarHBondContact O-N 3.39Å; S331-S333 VanDerWaalsContact O-N 3.09Å
332V36.4Very low45.3Very low129 Ų129138.3 Ų138.378%0.78280%0.8SS**  trans-71106.6178.5178.10000110V334V332-V334 PolarHBondContact O-N 2.98Å; V332-V334 VanDerWaalsContact O-N 3.08Å
333S44.9Very low46.4Very low110 Ų110141.5 Ų141.577%0.76981%0.813SS**  trans-69.1102.4174.7-67.50000110.8S331S331-S333 PolarHBondContact O-N 3.39Å; S331-S333 VanDerWaalsContact O-N 3.09Å
334V46Very low48Very low127 Ų127140.9 Ų140.977%0.7780%0.8SS**PPolyproline II helixtrans-66126.6175.8-175.80000109.7V332 A336V332-V334 PolarHBondContact O-N 2.98Å; V332-V334 VanDerWaalsContact O-N 3.08Å; V334-A336 PolarHBondContact O-N 3.26Å
335P45.8Very low49.9Very low115 Ų115133.1 Ų133.175%0.74778%0.78SS**PPolyproline II helixtrans-59.1133.6174.9-24.434.5000111.4K337P335-K337 PolarHBondContact O-N 3.08Å
336A49.2Very low51.7Low96 Ų96131.4 Ų131.479%0.79377%0.771SS**PPolyproline II helixtrans-56130.3179.400000111.1V334V334-A336 PolarHBondContact O-N 3.26Å
337K51.3Low53.5Low195 Ų195133.3 Ų133.385%0.84877%0.772SS**PPolyproline II helixtrans-54.6129174.4-78.6174.6176.5168.60108.9P335 E339P335-K337 PolarHBondContact O-N 3.08Å; K337-E339 PolarHBondContact O-N 3.32Å
338P52.2Low55.3Low124 Ų124135 Ų13581%0.80577%0.765SS**PPolyproline II helixtrans-62.3125.6177.225.5-33.3000109.3R340P338-R340 PolarHBondContact O-N 3.44Å
339E60.4Low57.5Low185 Ų185131.3 Ų131.386%0.86474%0.744SS**PPolyproline II helixtrans-55.3134.9179.7-69.9-172.311400111.1K337 R341K337-E339 PolarHBondContact O-N 3.32Å; E339-R341 PolarHBondContact O-N 3.18Å
340R58.8Low59.6Low250 Ų250128.2 Ų128.294%0.94373%0.726SS**  trans-65.4100.7171.5-72.4-177.2176.3174-1.5108.4P338P338-R340 PolarHBondContact O-N 3.44Å
341R63.9Low61.9Low233 Ų233127.6 Ų127.688%0.87971%0.714SS**  trans-52137.9173.2-67.7-175.9177.3-173.7-1109.7E339 S343E339-R341 PolarHBondContact O-N 3.18Å; R341-S343 PolarHBondContact O-N 3.28Å
342P59.5Low64.3Low94 Ų94129.9 Ų129.961%0.6171%0.71SS**  trans-58.3127.3-179.222.4-33.2000110.9L344P342-L344 PolarHBondContact O-N 3.02Å
343S59.3Low66.9Low127 Ų127129.2 Ų129.289%0.88870%0.702SS**SBendtrans-69.6-2.1-170.3-160.30000114.9R341R341-S343 PolarHBondContact O-N 3.28Å
344L71.4Confident69.2Low98 Ų98129.3 Ų129.351%0.51369%0.694SS.*SBendtrans-106.5140.1-176.9-63.9177000110.9P342 K348 Q349P342-L344 PolarHBondContact O-N 3.02Å; L344-K348 HydrophobicContact CB-CB 4.37Å; L344-Q349 HydrophobicContact CB-CG 4.32Å; L344-Q349 PolarHBondContact O-NE2 3.46Å
345P76.4Confident71.3Confident68 Ų68127.1 Ų127.144%0.44268%0.677SS.*  trans-62.6152.3174.228.3-35.3000110.5S347 K348 Q349P345-S347 PolarHBondContact O-N 3.27Å; P345-K348 HydrophobicContact CG-CB 4.28Å; P345-K348 HydrophobicContact CG-CD 4.33Å; P345-K348 HydrophobicContact CG-CG 4.22Å; P345-K348 PolarHBondContact O-N 2.92Å; P345-Q349 PolarHBondContact O-N 3.34Å
346P73.4Confident73.6Confident110 Ų110126 Ų12671%0.71466%0.664SS**G310 helixtrans-54.2-30.7-175.1-29.436.2000115K348 Q349P346-K348 PolarHBondContact O-N 2.73Å; P346-Q349 PolarHBondContact O-N 3.07Å
347S74.8Confident75.8Confident115 Ų115127.2 Ų127.280%0.80465%0.652SS**G310 helixtrans-69.7-7.6175.453.90000115.2P345P345-S347 PolarHBondContact O-N 3.27Å
348K79.4Confident77.8Confident153 Ų153120.8 Ų120.867%0.66564%0.635SS**G310 helixtrans-116.83.3173.3-69.3-168174-169.80113.1L344 P345 P346L344-K348 HydrophobicContact CB-CB 4.37Å; P345-K348 HydrophobicContact CG-CB 4.28Å; P345-K348 HydrophobicContact CG-CD 4.33Å; P345-K348 HydrophobicContact CG-CG 4.22Å; P345-K348 PolarHBondContact O-N 2.92Å; P346-K348 PolarHBondContact O-N 2.73Å
349Q82.8Confident79.8Confident88 Ų88118.9 Ų118.941%0.41162%0.617SS.*SBendtrans-85.8142174.4-64.8179.610.300109.7L344 P345 P346L344-Q349 HydrophobicContact CB-CG 4.32Å; L344-Q349 PolarHBondContact O-NE2 3.46Å; P345-Q349 PolarHBondContact O-N 3.34Å; P346-Q349 PolarHBondContact O-N 3.07Å
350A83.8Confident81.4Confident56 Ų56112 Ų11246%0.46359%0.59SS.*PPolyproline II helixtrans-63.8146.6172.800000110.6K352 L354 I355A350-K352 PolarHBondContact O-N 3.46Å; A350-L354 HydrophobicContact CB-CD2 4.45Å; A350-I355 HydrophobicContact CB-CD1 4.08Å; A350-I355 HydrophobicContact CB-CG1 3.81Å; A350-I355 WeakPolarHBondContact O-CD1 3.42Å
351N88.7Confident83.1Confident101 Ų101105.1 Ų105.154%0.5457%0.568SS.*PPolyproline II helixtrans-57.7133.6176.9-175.2-45.2000109.7N353 L354 I355N351-N353 PolarHBondContact O-N 3Å; N351-N353 PolarHBondContact OD1-N 3.19Å; N351-N353 PolarHBondContact OD1-ND2 3.47Å; N351-L354 HydrophobicContact CB-CB 4.4Å; N351-L354 WeakPolarHBondContact O-CA 3.48Å; N351-L354 WeakPolarHBondContact O-CB 3.26Å; N351-L354 PolarHBondContact O-N 2.88Å; N351-I355 PolarHBondContact O-N 3.18Å; N351-I355 VanDerWaalsContact O-N 3.11Å
352K91.3Very high84.4Confident153 Ų15396.6 Ų96.667%0.66555%0.548SS*.Hα-helixtrans-48.1-37.8179.9-177179.9176.3-177.40112.8A350 I355 L356A350-K352 PolarHBondContact O-N 3.46Å; K352-I355 PolarHBondContact O-N 2.92Å; K352-L356 HydrophobicContact CG-CD1 4.03Å; K352-L356 HydrophobicContact CG-CG 4.44Å; K352-L356 WeakPolarHBondContact O-CB 3.32Å; K352-L356 VanDerWaalsContact O-CG 3.3Å; K352-L356 WeakPolarHBondContact O-CG 3.44Å; K352-L356 PolarHBondContact O-N 3.37Å
353N92.4Very high85.9Confident115 Ų11598 Ų9862%0.61555%0.546SS*.Hα-helixtrans-70.2-33.3179.3-58.1-75.7000112.8N351 K357N351-N353 PolarHBondContact O-N 3Å; N351-N353 PolarHBondContact OD1-N 3.19Å; N351-N353 PolarHBondContact OD1-ND2 3.47Å; N353-K357 WeakPolarHBondContact O-CB 3.45Å; N353-K357 PolarHBondContact O-N 2.93Å
354L92.4Very high87.4Confident113 Ų11397.8 Ų97.859%0.59253%0.531SS*.Hα-helixtrans-69.6-40.6174.2-171.969.4000110.9A350 N351 K357 A358A350-L354 HydrophobicContact CB-CD2 4.45Å; N351-L354 HydrophobicContact CB-CB 4.4Å; N351-L354 WeakPolarHBondContact O-CA 3.48Å; N351-L354 WeakPolarHBondContact O-CB 3.26Å; N351-L354 PolarHBondContact O-N 2.88Å; L354-K357 PolarHBondContact O-N 3.19Å; L354-A358 WeakPolarHBondContact O-CB 3.39Å; L354-A358 PolarHBondContact O-N 3.36Å
355I91.3Very high88.2Confident81 Ų8196.5 Ų96.542%0.41553%0.53SS..Hα-helixtrans-62.9-48.2174.9-60172.5000110.2A350 N351 K352 K357 A358 I359A350-I355 HydrophobicContact CB-CD1 4.08Å; A350-I355 HydrophobicContact CB-CG1 3.81Å; A350-I355 WeakPolarHBondContact O-CD1 3.42Å; N351-I355 PolarHBondContact O-N 3.18Å; N351-I355 VanDerWaalsContact O-N 3.11Å; K352-I355 PolarHBondContact O-N 2.92Å; I355-K357 PolarHBondContact O-N 3.35Å; I355-A358 PolarHBondContact O-N 2.94Å; I355-I359 HydrophobicContact CG2-CD1 3.9Å; I355-I359 WeakPolarHBondContact O-CG1 3.46Å; I355-I359 PolarHBondContact O-N 3.3Å
356L92.9Very high88.4Confident92 Ų9297.9 Ų97.948%0.48254%0.537SS..Hα-helixtrans-61.7-41.9178-72.5171.2000112.3K352 I359 S360K352-L356 HydrophobicContact CG-CD1 4.03Å; K352-L356 HydrophobicContact CG-CG 4.44Å; K352-L356 WeakPolarHBondContact O-CB 3.32Å; K352-L356 VanDerWaalsContact O-CG 3.3Å; K352-L356 WeakPolarHBondContact O-CG 3.44Å; K352-L356 PolarHBondContact O-N 3.37Å; L356-I359 PolarHBondContact O-N 3.41Å; L356-S360 PolarHBondContact O-N 3.22Å
357K94.6Very high88.6Confident120 Ų12096.6 Ų96.652%0.52253%0.527SS..Hα-helixtrans-64.7-42.7175-168.7-178.7-175.9-86.60112.1N353 L354 I355 I359 S360 E361N353-K357 WeakPolarHBondContact O-CB 3.45Å; N353-K357 PolarHBondContact O-N 2.93Å; L354-K357 PolarHBondContact O-N 3.19Å; I355-K357 PolarHBondContact O-N 3.35Å; K357-I359 VanDerWaalsContact C-N 3.26Å; K357-I359 PolarHBondContact O-N 3.2Å; K357-S360 PolarHBondContact O-N 3.4Å; K357-S360 PolarHBondContact O-OG 3.01Å; K357-S360 VanDerWaalsContact O-OG 3.12Å; K357-E361 IonicContact NZ-OE2 2.69Å; K357-E361 PolarHBondContact NZ-OE2 3.12Å; K357-E361 WeakPolarHBondContact O-CB 3.29Å; K357-E361 PolarHBondContact O-N 2.98Å
358A93.6Very high88.6Confident60 Ų6099.6 Ų99.650%0.49653%0.526SS..Hα-helixtrans-62.6-35177.200000112.1L354 I355 A362L354-A358 WeakPolarHBondContact O-CB 3.39Å; L354-A358 PolarHBondContact O-N 3.36Å; I355-A358 PolarHBondContact O-N 2.94Å; A358-A362 VanDerWaalsContact O-CB 3.27Å; A358-A362 WeakPolarHBondContact O-CB 3.33Å; A358-A362 PolarHBondContact O-N 3.31Å; A358-A362 VanDerWaalsContact O-N 3.07Å
359I94.8Very high87.8Confident84 Ų8496.9 Ų96.943%0.43152%0.522SS..Hα-helixtrans-69.3-45.9174.4-67.7165.9000111.1I355 L356 K357 A362 Q363I355-I359 HydrophobicContact CG2-CD1 3.9Å; I355-I359 WeakPolarHBondContact O-CG1 3.46Å; I355-I359 PolarHBondContact O-N 3.3Å; L356-I359 PolarHBondContact O-N 3.41Å; K357-I359 VanDerWaalsContact C-N 3.26Å; K357-I359 PolarHBondContact O-N 3.2Å; I359-A362 PolarHBondContact O-N 3.34Å; I359-Q363 VanDerWaalsContact O-CG 3.3Å; I359-Q363 WeakPolarHBondContact O-CG 3.4Å; I359-Q363 PolarHBondContact O-N 2.81Å
360S93.9Very high86.7Confident42 Ų4297.6 Ų97.629%0.29453%0.532SS..Hα-helixtrans-66.1-43.1178.671.30000111.7L356 K357 A362 Q363 E364L356-S360 PolarHBondContact O-N 3.22Å; K357-S360 PolarHBondContact O-N 3.4Å; K357-S360 PolarHBondContact O-OG 3.01Å; K357-S360 VanDerWaalsContact O-OG 3.12Å; S360-A362 VanDerWaalsContact C-N 3.32Å; S360-A362 PolarHBondContact O-N 3Å; S360-Q363 PolarHBondContact O-N 3.01Å; S360-Q363 VanDerWaalsContact O-N 3.12Å; S360-E364 WeakPolarHBondContact O-CB 3.49Å; S360-E364 VanDerWaalsContact O-CG 3.31Å; S360-E364 WeakPolarHBondContact O-CG 3.45Å; S360-E364 PolarHBondContact O-N 2.66Å
361E94.7Very high85.3Confident105 Ų105101.3 Ų101.349%0.49155%0.545SS..Hα-helixtrans-63.2-35.7177.8-166.4167.4155.900112K357 S365K357-E361 IonicContact NZ-OE2 2.69Å; K357-E361 PolarHBondContact NZ-OE2 3.12Å; K357-E361 WeakPolarHBondContact O-CB 3.29Å; K357-E361 PolarHBondContact O-N 2.98Å; E361-S365 WeakPolarHBondContact O-CB 3.48Å; E361-S365 PolarHBondContact O-N 2.86Å
362A90.8Very high83Confident54 Ų54106.8 Ų106.845%0.44656%0.559SS.*Hα-helixtrans-68.5-41.2171.100000112.8A358 I359 S360 S365 V366A358-A362 VanDerWaalsContact O-CB 3.27Å; A358-A362 WeakPolarHBondContact O-CB 3.33Å; A358-A362 PolarHBondContact O-N 3.31Å; A358-A362 VanDerWaalsContact O-N 3.07Å; I359-A362 PolarHBondContact O-N 3.34Å; S360-A362 VanDerWaalsContact C-N 3.32Å; S360-A362 PolarHBondContact O-N 3Å; A362-S365 WeakPolarHBondContact O-CB 3.48Å; A362-S365 PolarHBondContact O-N 3.34Å; A362-V366 WeakPolarHBondContact O-CG2 3.4Å; A362-V366 PolarHBondContact O-N 3.44Å
363Q91.3Very high80.5Confident124 Ų124104.8 Ų104.858%0.57957%0.565SS**Hα-helixtrans-66.6-41176.5-73.2171.9-15.300112I359 S360 V366 T367I359-Q363 VanDerWaalsContact O-CG 3.3Å; I359-Q363 WeakPolarHBondContact O-CG 3.4Å; I359-Q363 PolarHBondContact O-N 2.81Å; S360-Q363 PolarHBondContact O-N 3.01Å; S360-Q363 VanDerWaalsContact O-N 3.12Å; Q363-V366 PolarHBondContact O-N 3.47Å; Q363-T367 WeakPolarHBondContact O-CB 3.42Å; Q363-T367 WeakPolarHBondContact O-CG2 3.43Å; Q363-T367 PolarHBondContact O-N 2.96Å; Q363-T367 PolarHBondContact O-OG1 3.14Å
364E90.1Very high78.4Confident122 Ų122105.8 Ų105.857%0.5758%0.575SS**Hα-helixtrans-61.1-41.7171.3-73.5168.1-138.200111.2S360 T367 K368S360-E364 WeakPolarHBondContact O-CB 3.49Å; S360-E364 VanDerWaalsContact O-CG 3.31Å; S360-E364 WeakPolarHBondContact O-CG 3.45Å; S360-E364 PolarHBondContact O-N 2.66Å; E364-T367 WeakPolarHBondContact CA-OG1 3.44Å; E364-T367 PolarHBondContact O-OG1 2.84Å; E364-K368 WeakPolarHBondContact O-CB 3.47Å; E364-K368 PolarHBondContact O-N 3.33Å
365S88.4Confident75.8Confident70 Ų70106.3 Ų106.349%0.4958%0.583SS.*Hα-helixtrans-61.1-49.4174.9-1710000112.5E361 A362 K368 T369E361-S365 WeakPolarHBondContact O-CB 3.48Å; E361-S365 PolarHBondContact O-N 2.86Å; A362-S365 WeakPolarHBondContact O-CB 3.48Å; A362-S365 PolarHBondContact O-N 3.34Å; S365-K368 PolarHBondContact O-N 2.66Å; S365-T369 PolarHBondContact O-N 2.94Å; S365-T369 PolarHBondContact O-OG1 2.9Å
366V80.6Confident73.7Confident97 Ų97108.3 Ų108.359%0.58860%0.601SS**Hα-helixtrans-64.2-43.4179.2173.20000111.9A362 Q363 K368 T369 T370A362-V366 WeakPolarHBondContact O-CG2 3.4Å; A362-V366 PolarHBondContact O-N 3.44Å; Q363-V366 PolarHBondContact O-N 3.47Å; V366-K368 VanDerWaalsContact C-N 3.28Å; V366-K368 PolarHBondContact O-N 3.17Å; V366-T369 PolarHBondContact O-N 2.96Å; V366-T369 PolarHBondContact O-OG1 3.44Å; V366-T369 VanDerWaalsContact O-OG1 3.13Å; V366-T370 PolarHBondContact O-N 3.39Å
367T77.6Confident71.1Confident83 Ų83113.1 Ų113.151%0.50962%0.621SS.*Hα-helixtrans-69.5-26.3177.450.30000112.8Q363 E364 N371Q363-T367 WeakPolarHBondContact O-CB 3.42Å; Q363-T367 WeakPolarHBondContact O-CG2 3.43Å; Q363-T367 PolarHBondContact O-N 2.96Å; Q363-T367 PolarHBondContact O-OG1 3.14Å; E364-T367 WeakPolarHBondContact CA-OG1 3.44Å; E364-T367 PolarHBondContact O-OG1 2.84Å; T367-N371 PolarHBondContact O-ND2 3.23Å
368K76.2Confident68.5Low178 Ų178117.3 Ų117.377%0.77464%0.639SS**Hα-helixtrans-77.4-31174.3-168.1170.5-171.8173.60113E364 S365 V366E364-K368 WeakPolarHBondContact O-CB 3.47Å; E364-K368 PolarHBondContact O-N 3.33Å; S365-K368 PolarHBondContact O-N 2.66Å; V366-K368 VanDerWaalsContact C-N 3.28Å; V366-K368 PolarHBondContact O-N 3.17Å
369T62.2Low66.1Low96 Ų96122.5 Ų122.559%0.58965%0.653SS**Hα-helixtrans-84.1-25.4176.752.70000114.1S365 V366 N371S365-T369 PolarHBondContact O-N 2.94Å; S365-T369 PolarHBondContact O-OG1 2.9Å; V366-T369 PolarHBondContact O-N 2.96Å; V366-T369 PolarHBondContact O-OG1 3.44Å; V366-T369 VanDerWaalsContact O-OG1 3.13Å; T369-N371 PolarHBondContact O-N 3Å
370T59.1Low63.2Low103 Ų103125.4 Ų125.463%0.63268%0.675SS**SBendtrans-75.70.2179.6-162.90000115V366 Y372V366-T370 PolarHBondContact O-N 3.39Å; T370-Y372 PolarHBondContact O-N 2.78Å
371N54.1Low60.3Low134 Ų134130 Ų13072%0.71770%0.696SS**  trans-9442.9-177.2-86.8-75.4000113.8T367 T369T367-N371 PolarHBondContact O-ND2 3.23Å; T369-N371 PolarHBondContact O-N 3Å
372Y41.8Very low57.9Low217 Ų217130.8 Ų130.885%0.85171%0.709SS**PPolyproline II helixtrans-89.2121.7163.5-91.6-82.7000109.9T370T370-Y372 PolarHBondContact O-N 2.78Å
373S38Very low55Low111 Ų111135.2 Ų135.278%0.77673%0.731SS**PPolyproline II helixtrans-70.5132.6-172.9-169.80000112.4V375S373-V375 PolarHBondContact O-N 2.99Å
374T47.8Very low52.6Low135 Ų135133.1 Ų133.183%0.82873%0.734SS**PPolyproline II helixtrans-60.9128.1171-46.90000110.8
375V38Very low50.1Low125 Ų125133.3 Ų133.376%0.75875%0.746SS**PPolyproline II helixtrans-102.9135.2172.2177.40000108.5S373S373-V375 PolarHBondContact O-N 2.99Å
376P46.2Very low47.5Very low122 Ų122141 Ų14179%0.79277%0.765SS**PPolyproline II helixtrans-81.3134.7-167.930.7-35.6000113.5
377Q39.5Very low45.2Very low194 Ų194142.8 Ų142.891%0.90778%0.776SS**  trans-109.7147.4166.4-167.9162.6-13.800110.3
378K39.8Very low43.2Very low207 Ų207149.4 Ų149.490%0.979%0.792SS**  trans-77.7158.9-166.1-69.6-176176.7-179.10114.2
379Q43Very low41Very low169 Ų169146.3 Ų146.379%0.7979%0.788SS**  trans-65.2150.1178.8-58.6156.3-67.500113.5
380T33.9Very low39.3Very low145 Ų145146.7 Ų146.789%0.8979%0.794SS**  trans-138146.5133.6-63.40000107.3
381L34.1Very low38Very low140 Ų140149.3 Ų149.373%0.73380%0.799SS**  trans-97.7144.5-163.7-65.4165.6000113.1
382P42.8Very low36.9Very low120 Ų120150.1 Ų150.178%0.77980%0.799SS**  trans-96.3133.7165.835.1-29.7000112
383V30.9Very low36.4Very low147 Ų147147.5 Ų147.589%0.89180%0.795SS**  trans-141.4144.2168.3-175.90000109.2
384A40.5Very low35.9Very low80 Ų80148.5 Ų148.566%0.66179%0.79SS**  trans-118.5179.9-170.700000113
385P37.6Very low34.9Very low126 Ų126149.6 Ų149.682%0.81879%0.79SS**  trans-119.3142.7132.735.4-29.1000110.9
386R33.4Very low34.4Very low232 Ų232147.9 Ų147.988%0.87579%0.789SS**  cis87.4101.222-85.1-167.1164.8139.6-2.3118.9
387T32.9Very low33.5Very low135 Ų135150.3 Ų150.383%0.82879%0.79SS**  trans-132.4125.7131.644.40000105.9
388R34.8Very low33Very low222 Ų222147.2 Ų147.284%0.83878%0.784SS**  66.6118.162.9-75.6-16272.4-178.71.6112.6
389T29.8Very low32.5Very low113 Ų113142.2 Ų142.269%0.69377%0.771SS**  cis-136.3-167.1-11.148.60000108.1
390S28.2Very low31.8Very low104 Ų104143.1 Ų143.173%0.72778%0.775SS**  cis-156.4-16913.6-28.30000107.1
391Q30.7Very low31.4Very low157 Ų157139.8 Ų139.873%0.73477%0.77SS**  cis-162.1155.5-10.5156.1172.7-29.400106.5
392E30.6Very low31.1Very low152 Ų152142.4 Ų142.471%0.7178%0.778SS**  trans61.7128.1-178.1-82.3152.486.500114.3
393E31.2Very low30.2Very low162 Ų162142.5 Ų142.576%0.75778%0.782SS**  72.6106.256.6-69.9-16783.900113.1
394L28.8Very low29.9Very low131 Ų131147 Ų14769%0.68678%0.783SS**  73.7110.498.3-67-178.3000111.6
395L27.1Very low29.5Very low158 Ų158149.6 Ų149.683%0.82779%0.791SS**  69.6148.677.6-78.5-171.2000113.7
396A26.8Very low28.9Very low89 Ų89149.6 Ų149.674%0.73679%0.79SS**  trans67.5143.5-178.100000114.6
397E26.7Very low28.4Very low173 Ų173147.9 Ų147.981%0.80879%0.789SS**  cis-166.7-142.9-23.2-141.6-174.3118.300107
398V30.3Very low28Very low129 Ų129149.5 Ų149.578%0.78279%0.791SS**  trans82.1126.1151.4-177.10000117.5
399V27.5Very low27.7Very low102 Ų102143.9 Ų143.962%0.61879%0.786SS**  cis-165.2172.8-24.881.20000109.3
400Q28.7Very low28.1Very low188 Ų188144.2 Ų144.288%0.87979%0.79SS**  trans63.8121164.8-73.115521.800118.3
401G26.9Very low28.7Very low76 Ų76144.2 Ų144.278%0.78479%0.787SS**  trans-178.334.7177.700000117.6
402Q26.8Very low28.6Very low194 Ų194144.1 Ų144.191%0.90779%0.79SS**  trans12112.9169.7-63-179-2.900119.6
403S23.7Very low28.6Very low122 Ų122143.7 Ų143.785%0.85379%0.786SS**  trans-150.584.9141.940.90000111.7
404R25.5Very low28.6Very low242 Ų242142.9 Ų142.991%0.91378%0.782SS**  trans-72.3156.5160.2-82.3-171.1173.8-168.6-1.2109.8
405T30.4Very low28.6Very low135 Ų135145 Ų14583%0.82879%0.789SS**  trans-51147.1178.445.80000114.4
406P26Very low28.8Very low125 Ų125145.3 Ų145.381%0.81279%0.786SS**  trans-124.994.2151.135-23000111.7
407K23Very low28.9Very low197 Ų197147.1 Ų147.186%0.85779%0.788SS**  trans-142.599.8150.9-95.8-164.1177.8-177.40109.4
408I25.2Very low29.4Very low168 Ų168148.1 Ų148.186%0.86279%0.79SS**  trans-169.9146.5133.2-94.8151.5000106.3
409S28.2Very low29.4Very low105 Ų105145 Ų14573%0.73478%0.784SS**  trans-114.6167.1177.6-61.70000108.6
410P38Very low29.9Very low120 Ų120147 Ų14778%0.77979%0.791SS**  trans-88.8-161.6-148.244.1-43.6000110.9
411P41.4Very low30.1Very low103 Ų103142.2 Ų142.267%0.66978%0.779SS**  cis-144.8-173.83.842.9-22.8000117.6
412I27.6Very low30.5Very low156 Ų156144.2 Ų144.280%0.878%0.776SS**  trans79.7155.4152.3-75.1160000119.3
413K30.3Very low30.8Very low142 Ų142141.3 Ų141.362%0.61776%0.762SS**  trans-74.5173.2-167.2-48.213397-81.70114.6
414E31.1Very low31.4Very low145 Ų145143.4 Ų143.468%0.67876%0.756SS**  trans65.3144.9160-79105.6-120.500115.8
415E30.1Very low31.7Very low177 Ų177137.6 Ų137.683%0.82774%0.743SS**  cis-147.4-162.2-10.4-157.9168.690.400109.4
416E30.8Very low31.9Very low163 Ų163139.7 Ų139.776%0.76274%0.743SS**  trans-69.7170.2-161.6-65.5-167.881.300119.6
417T28.7Very low32Very low128 Ų128136.4 Ų136.479%0.78573%0.732SS**  trans95.3155.214974.70000121
418K36.3Very low32.3Very low193 Ų193133.6 Ų133.684%0.83973%0.732SS**  cis-165.7130.1-47.2-170.4168.3-178.3174.80111.1
419G31.9Very low32.7Very low65 Ų65132.9 Ų132.967%0.6773%0.725SS**  trans76.5170.8160.800000117
420D36.6Very low32.9Very low143 Ų143135.7 Ų135.777%0.76573%0.726SS**  cis-176.5161.9-12.1-114.7-62.1000106.8
421S33.2Very low32.7Very low88 Ų88141 Ų14162%0.61573%0.731SS**  cis-167.6-169.9-1.7-146.60000110.2
422V36.6Very low32.3Very low118 Ų118144.4 Ų144.472%0.71574%0.738SS**  trans66.9133141.9162.20000119.5
423E32.6Very low32.5Very low132 Ų132144.1 Ų144.162%0.61774%0.737SS**  cis-160.8157.70.8-122.3-17615600115.8
424K35.1Very low32.4Very low166 Ų166145.6 Ų145.672%0.72275%0.751SS**  trans32.2155.4134.4-78.4179.5-161.6154.50123.4
425N32.6Very low32.4Very low121 Ų121143.7 Ų143.765%0.64775%0.753SS**  cis-174.1154-20.7-142.9-14.5000111.6
426Q33.8Very low32.4Very low178 Ų178145.3 Ų145.383%0.83275%0.752SS**  trans60.1159.5158.6-64.8163.64700119.5
427G28.2Very low32.2Very low57 Ų57144.9 Ų144.959%0.58875%0.754SS**  cis167.7168.3-10.900000114.5
428T29.6Very low32.2Very low137 Ų137146.5 Ų146.584%0.8475%0.753SS**  trans72161.3163.673.60000120
429Q34.9Very low31.8Very low154 Ų154145.6 Ų145.672%0.7276%0.755SS**  cis-166.5170-29-106.1-166.754.300112.9
430Q30.8Very low31.4Very low163 Ų163149.3 Ų149.376%0.76276%0.76SS**  trans75.5107.8149.4-77.9174.328.900126.1
431R35.1Very low32.5Very low233 Ų233147.3 Ų147.388%0.87976%0.755SS**  55153.4104-109.7-179.4-175.9179.11.6125.6
432Q33Very low32.2Very low173 Ų173149.1 Ų149.181%0.80876%0.762SS**  trans77.2160162.8-70.4-177.6-30.800118.7
433L30.9Very low32Very low151 Ų151151.5 Ų151.579%0.79177%0.767SS**  cis170.6130.1-46.2-108.3-179.6000108.2
434L29Very low31.8Very low172 Ų172149.5 Ų149.590%0.90177%0.773SS**  trans177175.3142.4-101.7166.6000113.2
435S30Very low31.6Very low105 Ų105150 Ų15073%0.73478%0.778SS**  trans-132.4174.3-155.7-41.10000114.6
436R30.6Very low31.5Very low211 Ų211148.9 Ų148.980%0.79678%0.776SS**  128.3122.8124.1-166.8-179-170.81703.7115.8
437L27.1Very low31.4Very low155 Ų155147.5 Ų147.581%0.81277%0.773SS**  -175.7175.3117.1-96.3170.1000111.6
438Q27.9Very low31.4Very low162 Ų162151.4 Ų151.476%0.75778%0.776SS**  trans-122.2170.6-167.3-61.5161.2-39.400111
439I29.1Very low31.2Very low173 Ų173151.9 Ų151.989%0.88777%0.77SS**  trans-176.4150.8130.7-94.3152.3000109.7
440D22.5Very low30.8Very low143 Ų143149.3 Ų149.377%0.76577%0.77SS**  trans-147.9-176.8174.8-154.617.7000108
441P60.6Low30.6Very low102 Ų102149.1 Ų149.166%0.66277%0.769SS**  -113.8-177.5-107.438.6-22.1000114.3
442V27.3Very low30.2Very low126 Ų126144 Ų14476%0.76476%0.759SS**  trans-163.3115.5161.7128.40000115.2
443M30.9Very low29.8Very low168 Ų168145 Ų14583%0.82876%0.756SS**  trans54.2148.5140.9-37.9-43.8-17300127.8
444A29.7Very low29.6Very low90 Ų90146.4 Ų146.474%0.74475%0.753SS**  trans73127.5147.900000118.7
445E29.6Very low29.6Very low176 Ų176145.2 Ų145.282%0.82275%0.747SS**  cis72.2146.922-114.7-169.817000114.1
446T30.1Very low29.4Very low97 Ų97147.1 Ų147.160%0.59575%0.746SS**  cis-161.4160.224.9-250000113.9
447L33.4Very low29.4Very low149 Ų149144.5 Ų144.578%0.7874%0.743SS**  trans70.1159.6159.4-48.5-173.4000119.5
448Q28.4Very low29.7Very low140 Ų140142.3 Ų142.365%0.65474%0.741SS**  cis-147.5161.17.7-170.150.65.700114.2
449M24.9Very low29.7Very low146 Ų146141.7 Ų141.772%0.71974%0.74SS**  trans-47.2168.2156.7-96.969.573.100113.4
450S26.9Very low29.9Very low101 Ų101139.4 Ų139.471%0.70673%0.734SS**  cis-172142.346.765.80000109.3
451Q25.8Very low30.4Very low159 Ų159141.5 Ų141.574%0.74374%0.738SS**  95141.273.1-173.4171-20.500115.4
452D25.9Very low29Very low126 Ų126140.9 Ų140.967%0.67474%0.742SS**  trans68.4120.5156.6-70.6-11.5000124.9
453Y24.6Very low29.3Very low192 Ų192141.6 Ų141.675%0.75374%0.741SS**  75114.5118.3-144.7-96.9000122.5
454Y27.7Very low29.5Very low181 Ų181139 Ų13971%0.7174%0.735SS**  trans67.7175.5156.4-83.2-113.8000116.9
455D28.1Very low29.9Very low147 Ų147145.9 Ų145.979%0.78674%0.742SS**  cis-147.3-16913.3-145-32.2000113.9
456M26.7Very low30.5Very low146 Ų146141.7 Ų141.772%0.71973%0.732SS**  trans-77.3150.8-170-138.5-178.369.800117.6
457E30.4Very low30.9Very low156 Ų156146.5 Ų146.573%0.72975%0.745SS**  trans12.1130.6140.6-178.1178.8-121.600121.3
458S32.7Very low31.2Very low108 Ų108146.3 Ų146.376%0.75574%0.743SS**  -173.6156125.8-143.30000117.8
459M29.5Very low31.5Very low150 Ų150146.4 Ų146.474%0.73975%0.748SS**  trans76.883.9142-153.8135.559.600122.6
460V31.8Very low32.1Very low125 Ų125148.9 Ų148.976%0.75875%0.754SS**  11.6132.5121.9-166.80000118.1
461H33.1Very low32.4Very low186 Ų186152.5 Ų152.586%0.86176%0.757SS**  trans-140.9157.2143.9-95.173.9000109.6
462A31.9Very low33Very low89 Ų89151.2 Ų151.274%0.73676%0.763SS**  trans-141.2167.9-164.400000115.3
463D33.6Very low33.2Very low142 Ų142154.2 Ų154.276%0.75977%0.77SS**  trans102140.7135.6-154.421.6000121.3
464T35Very low33.4Very low112 Ų112153.4 Ų153.469%0.68778%0.778SS**  trans61.8151.6171.871.70000117.8
465R38.8Very low33.6Very low235 Ų235149 Ų14989%0.88777%0.773SS**  cis-158164.826.2-150.2168.8-171-154.24.1112.3
466S42Very low33.7Very low89 Ų89150.7 Ų150.762%0.62278%0.776SS**  trans-125.9164.6-170.1-52.90000114.7
467F38.3Very low33.9Very low197 Ų197151.1 Ų151.186%0.86478%0.777SS**  trans72.9150.6170.2-52.7-72.8000115.7
468I38.9Very low33.7Very low146 Ų146151.7 Ų151.775%0.74978%0.783SS**  cis-158.8154.431.7-138.9142.9000112.4
469L36Very low33.5Very low142 Ų142151.9 Ų151.974%0.74378%0.779SS**  trans22.2146.1150.9-53.2173.9000121.2
470K35.8Very low33.4Very low197 Ų197151.1 Ų151.186%0.85778%0.783SS**  -169.9170.851.9-139154-173.6177.10112.8
471K34.7Very low33.3Very low178 Ų178149.1 Ų149.177%0.77478%0.78SS**  trans-88.8172.3-179.3-61.6175.9179.4173.50113
472P37.8Very low33.6Very low132 Ų132145.8 Ų145.886%0.85778%0.775SS**  -127167.2105.736.1-30.7000114.9
473K29.5Very low33.4Very low188 Ų188148.4 Ų148.482%0.81778%0.776SS**  trans-115.7155.2169.4-94-166.3171.7-164.30108.6
474L30.1Very low33.2Very low176 Ų176149 Ų14992%0.92177%0.774SS**  trans-132.2162.6136.8-89.5175.4000109.2
475S31.6Very low33Very low89 Ų89151.8 Ų151.862%0.62278%0.779SS**  trans-100.1-177.218053.20000110.1
476E29.8Very low32.5Very low181 Ų181146.6 Ų146.685%0.84678%0.779SS**  cis-148177.215.2-149.3134.5135.500112.7
477E30.7Very low31.7Very low156 Ų156145.3 Ų145.373%0.72978%0.78SS**  trans-109.6153.2-169.6-179.1-173.414200111.1
478I25.5Very low31.3Very low168 Ų168144.5 Ų144.586%0.86278%0.781SS**  trans-168.8153.3141-100.8151.9000110.1
479V29.6Very low31.1Very low112 Ų112146.3 Ų146.368%0.67978%0.784SS**  trans-118.2174.7-168.9-175.20000110.2
480V27.4Very low30.8Very low133 Ų133145.9 Ų145.981%0.80679%0.787SS**  trans100.2126.5160.1-171.90000117.2
481A29.3Very low30.6Very low84 Ų84140.9 Ų140.969%0.69478%0.782SS**  trans-118.6158.8151.600000106
482P39.8Very low30.4Very low116 Ų116139.4 Ų139.475%0.75378%0.783SS**  cis-155178.639.543.4-22.1000119.6
483N27.2Very low29.9Very low143 Ų143137.7 Ų137.777%0.76577%0.774SS**  trans93.1150.7137.1-136.7-4000123.1
484Q30.5Very low30.1Very low154 Ų154136 Ų13672%0.7277%0.773SS**  trans79.6107.8160.7-78.1176117.300123.8
485E29Very low30.2Very low171 Ų171138.8 Ų138.880%0.79977%0.772SS**  82.8148.2126.1-79.4-158.2124.400125.6
486S29.1Very low30.2Very low126 Ų126140.9 Ų140.988%0.88178%0.78SS**  trans67.3145.4175.576.70000117.6
487G25.8Very low30.3Very low63 Ų63139.6 Ų139.665%0.64978%0.778SS**  cis166.5128.7-13.500000114.8
488M29.8Very low30.2Very low180 Ų180137.9 Ų137.989%0.88778%0.784SS**  trans61.8124.3163.3-51.3179.8174.100117.9
489K34.1Very low30.4Very low184 Ų184133.7 Ų133.780%0.878%0.781SS**  178.1120.294.1-81.8138.5-161.4160.30107.9
490T29Very low30.4Very low133 Ų133136.6 Ų136.682%0.81679%0.787SS**  75.9146.481.159.20000117.2
491A31.7Very low30.7Very low91 Ų91136.1 Ų136.175%0.75278%0.78SS**  trans73.6148.4-178.800000116.3
492D30.6Very low30.9Very low148 Ų148138.6 Ų138.679%0.79178%0.779SS**  cis-155.4134.4-20-110.4-55.3000106.1
493S28.8Very low30.6Very low95 Ų95140.7 Ų140.766%0.66478%0.778SS**  78.4152.277.6-1610000116.2
494L33.3Very low30.8Very low152 Ų152139.2 Ų139.280%0.79678%0.775SS**  trans66.6123-176.4-48.9-178.7000114.4
495R32Very low31Very low236 Ų236143.4 Ų143.489%0.89178%0.784SS**  cis58.1115.942.2-61-170.5-178.8-174.22.6114.6
496V30.9Very low31.3Very low132 Ų132142.1 Ų142.180%0.878%0.783SS**  175.3135124.7146.20000112.7
497L31.5Very low31.5Very low154 Ų154143.1 Ų143.181%0.80678%0.777SS**  trans32.4120.2156.4-60.6171.5000123.1
498S29.4Very low31.9Very low121 Ų121146.3 Ų146.385%0.84678%0.784SS**  34.3115.7113.1-159.90000119.7
499G29.7Very low32.3Very low79 Ų79145.5 Ų145.581%0.81478%0.778SS**  trans-166.1109.9173.800000114.6
500H29.3Very low33.3Very low174 Ų174141.5 Ų141.581%0.80677%0.771SS**  trans-72.6141.9-171.2-175.875000116
501L33.2Very low33.4Very low122 Ų122141.6 Ų141.664%0.63977%0.766SS**  trans69.8123.8145.9-170.676.4000121.8
502M33.8Very low33.7Very low137 Ų137145.9 Ų145.968%0.67577%0.768SS**  -177.2125.2124.7-93.7-88.294.600112.9
503Q33.7Very low34.8Very low160 Ų160144.7 Ų144.775%0.74877%0.768SS**  trans18.3150.7140-95.1173.4-20.800122.2
504T31Very low35Very low112 Ų112144.9 Ų144.969%0.68778%0.775SS**  cis-150.4147.727.850.30000114.3
505R35.6Very low34.9Very low241 Ų241142.9 Ų142.991%0.90977%0.774SS**  177.1142.4112.7-102.4-173.4166.6107.2-2.5112.7
506D34.7Very low36.4Very low145 Ų145136.8 Ų136.878%0.77577%0.765SS**  trans-73.2169.4170.1-97.4-86.1000112
507L34.5Very low36.5Very low147 Ų147140.1 Ų140.177%0.7777%0.769SS**  cis-163.8139.941.9-170.361.2000114.6
508V32.5Very low37.3Very low129 Ų129142.4 Ų142.478%0.78277%0.773SS**  trans72.2148.9154.2161.90000121.3
509Q39.3Very low37.7Very low163 Ų163143.6 Ų143.676%0.76277%0.768SS**  trans-145.5-178.8-179.6-120.9-152.4101.800108.1
510P55.4Low38.8Very low101 Ų101145.7 Ų145.766%0.65677%0.765SS**  cis-122.8-153.210.937.7-14.9000111.3
511D30.7Very low39.5Very low135 Ų135143 Ų14372%0.72276%0.761SS**  cis-155.8-154.65-145.9-44.4000112.2
512K38.8Very low40.5Very low180 Ų180145 Ų14578%0.78377%0.771SS**  trans-131.9175.5-177.6-69.9176.4-177.9171.50109.3
513P53.3Low40.8Very low124 Ų124146 Ų14681%0.80578%0.78SS**  cis-139.8-158.413.444.7-25.3000115.4
514A33.4Very low41.3Very low98 Ų98141.5 Ų141.581%0.8178%0.775SS**  trans90.3112.5157.900000119.3
515S31.1Very low41.7Very low111 Ų111142.8 Ų142.878%0.77678%0.783SS**  trans-91-177.3162.757.10000111
516P62.2Low42Very low108 Ų108136.8 Ų136.870%0.70178%0.775SS**  -122.2176.8-52.936.5-24.4000110.5
517K33.6Very low42.2Very low202 Ų202135.1 Ų135.188%0.87878%0.775SS**  trans-153.5147156.4-103.9122-169175.50112.7
518F48.2Very low43Very low201 Ų201133.8 Ų133.888%0.88278%0.775SS**  trans-68.6137.6169.6-78.6-118.7000109.6
519I38.3Very low43.3Very low146 Ų146134 Ų13475%0.74978%0.779SS**  trans-119.5119.5155.7-59.2-179.8000106.1T521I519-T521 WeakPolarHBondContact CG2-OG1 3.32Å; I519-T521 PolarHBondContact O-N 3.19Å
520V51.6Low43Very low124 Ų124129.7 Ų129.775%0.75278%0.779SS**  trans-88.996.5166175.30000106.5L522V520-L522 HydrophobicContact CG1-CG 4.42Å
521T45.7Very low41.8Very low116 Ų116135.1 Ų135.171%0.71279%0.788SS**  trans-100.698.6166.2-7.80000107.9I519 D523I519-T521 WeakPolarHBondContact CG2-OG1 3.32Å; I519-T521 PolarHBondContact O-N 3.19Å; T521-D523 VanDerWaalsContact C-N 3.31Å; T521-D523 PolarHBondContact O-N 3.03Å
522L53.3Low41.9Very low164 Ų164136.2 Ų136.286%0.85979%0.79SS**  trans-82.281.9161.6-80.1173.6000108.4V520V520-L522 HydrophobicContact CG1-CG 4.42Å
523D39.2Very low41.6Very low160 Ų160131.9 Ų131.986%0.85678%0.783SS**  trans-160.8161.6150.2-139.8-31.5000111.5T521T521-D523 VanDerWaalsContact C-N 3.31Å; T521-D523 PolarHBondContact O-N 3.03Å
524G44.3Very low40.7Very low64 Ų64132.7 Ų132.766%0.6678%0.781SS**  trans96.326.916700000117.9
525V40.4Very low40.7Very low139 Ų139135.7 Ų135.784%0.84278%0.778SS**PPolyproline II helixtrans-83.5119.9160179.40000108.3S527V525-S527 PolarHBondContact O-N 2.97Å
526P40.9Very low40.6Very low116 Ų116139.4 Ų139.475%0.75378%0.783SS**PPolyproline II helixtrans-74.3126.6-177.328.8-33.9000111.8
527S40.4Very low39Very low110 Ų110141.9 Ų141.977%0.76979%0.785SS**PPolyproline II helixtrans-64132167.6-590000110.6V525V525-S527 PolarHBondContact O-N 2.97Å
528P49.9Very low38.9Very low119 Ų119140 Ų14077%0.77379%0.785SS**PPolyproline II helixtrans-59.2137.3168.5-2435000111.1
529P39.4Very low38Very low132 Ų132138.6 Ų138.686%0.85778%0.783SS**PPolyproline II helixtrans-60.6145.1178.1-25.435.7000112.8
530G34Very low37.5Very low74 Ų74137.5 Ų137.576%0.76379%0.787SS**PPolyproline II helixtrans-74.7164.5-167.600000115.6
531Y28.5Very low36.2Very low214 Ų214139.1 Ų139.184%0.83978%0.784SS**  trans-107.7120.2153.1-172.1-93.4000107.2
532M33.3Very low35.2Very low158 Ų158141.7 Ų141.778%0.77879%0.788SS**  trans-122.6125.1173.3-62.8-97.966.100107.4
533S33.3Very low34.1Very low90 Ų90137 Ų13763%0.62978%0.78SS**  trans-157.7112.9138.6-159.70000107.2
534D34.6Very low33.7Very low141 Ų141138.6 Ų138.675%0.75478%0.784SS**  trans-65.9153.3150.1-56.8-77.3000108
535Q31.7Very low33.2Very low160 Ų160144.9 Ų144.975%0.74879%0.793SS**  trans-143.4102.3166.6-175.3165.4-5.200107.3E537Q535-E537 PolarHBondContact NE2-OE1 3.38Å
536E29.9Very low32.9Very low190 Ų190143.7 Ų143.789%0.88879%0.789SS**  trans-98.6124.7174.659.7-170.8156.700109.1
537E28.3Very low32.1Very low159 Ų159143.6 Ų143.674%0.74379%0.785SS**  trans-148.682.2168.850.4-170.8100.700111.2Q535Q535-E537 PolarHBondContact NE2-OE1 3.38Å
538D30.8Very low31.4Very low164 Ų164145.2 Ų145.288%0.87779%0.786SS**  trans-93.9129.2157.5-116.2-38.9000108
539M29.8Very low30.5Very low170 Ų170147.9 Ų147.984%0.83779%0.788SS**  trans166.7112.8142-96.9-167.57200113
540C27.7Very low29.9Very low124 Ų124146.9 Ų146.984%0.83878%0.779SS**  trans173140.3140.9-94.60000109.5
541F24Very low29.6Very low158 Ų158147.7 Ų147.769%0.69378%0.779SS**  cis-158.9137.1-12.5-174.9-105.1000109.4
542E26.2Very low29.6Very low170 Ų170141.9 Ų141.979%0.79478%0.775SS**  trans60.3159.6161.1-164.9160.8-112.300119.7
543G29.3Very low29.3Very low66 Ų66139.5 Ų139.568%0.6877%0.774SS**  trans-176.5148.1170.700000112.9
544M31.6Very low29.2Very low192 Ų192141 Ų14195%0.94678%0.775SS**  trans-147.7145.1168.2-80.2-171.3178.600110.6
545K32.5Very low29.2Very low196 Ų196143.7 Ų143.785%0.85278%0.78SS**  trans-93.3158.3163.2-51.5179.6-177.3178.10107.6
546P34.9Very low29.1Very low115 Ų115139.8 Ų139.875%0.74778%0.783SS**  -155.3155.286.840.4-21.5000118.1
547V25Very low29.4Very low113 Ų113138.6 Ų138.669%0.68578%0.782SS**  trans53.4106.6131-1790000121
548N25.3Very low29.6Very low145 Ų145142.7 Ų142.778%0.77579%0.79SS**  56.3163.2126.5-52-2.8000123.6
549Q30.2Very low29.5Very low174 Ų174138.3 Ų138.381%0.81378%0.784SS**  trans99.2143.4154.9-58.4-151.972.100119
550T27.2Very low29.9Very low111 Ų111137.9 Ų137.968%0.68178%0.784SS**  cis-167.8147-15.4-94.30000111.8
551A27.3Very low30.1Very low91 Ų91139.9 Ų139.975%0.75279%0.786SS**  trans71161.415200000125.3
552A28.1Very low30.5Very low93 Ų93139.5 Ų139.577%0.76979%0.785SS**  trans72.999.415700000118.1
553S27.4Very low31.4Very low108 Ų108137 Ų13776%0.75578%0.784SS**  69.8123.550.5-171.50000115.2
554N31.1Very low31.4Very low122 Ų122141.6 Ų141.665%0.65279%0.788SS**  -178.3125.9129.6-111-90000114.1
555K35.7Very low31.4Very low197 Ų197140.1 Ų140.186%0.85778%0.779SS**  trans56.5145.1153.827.9-173.6175-163.40119.7
556G29.5Very low31.4Very low78 Ų78137.3 Ų137.380%0.80477%0.772SS**  cis-179.1161.6-1.900000112.9
557L35.1Very low31.1Very low165 Ų165138.8 Ų138.886%0.86477%0.769SS**  trans-107.1129.9-162.2-119.8167.5000114.8
558R33.3Very low31.4Very low245 Ų245141.2 Ų141.293%0.92578%0.777SS**  trans-160.1151.4152-61.1-162.6-165.5-67.92.6108.5
559G29.5Very low31.6Very low72 Ų72140.7 Ų140.774%0.74277%0.773SS**  cis-179.9124.1-8.100000112.7
560L36.5Very low31.8Very low161 Ų161137 Ų13784%0.84377%0.767SS**  trans13.7139.6159.9-71.3174.9000124.5
561L32.5Very low32Very low166 Ų166142.9 Ų142.987%0.86978%0.777SS**  trans91153.7140-74.2165.1000122.7
562H31.7Very low32.2Very low149 Ų149144.7 Ų144.769%0.6977%0.77SS**  trans-107.2154.7-176.1175.967.9000110.1
563P45.3Very low32.3Very low117 Ų117146.3 Ų146.376%0.7677%0.765SS**  -143.6-178.9126.438.5-24.3000114.7
564Q30.1Very low32.5Very low163 Ų163148.8 Ų148.876%0.76277%0.765SS**  trans-92.2169.5-174.3-59.7168.1-89.100114.2
565Q31Very low32.5Very low162 Ų162150 Ų15076%0.75777%0.771SS**  108.6143.1128.8-134.2-170.1-26.500119.6
566L32Very low33.4Very low136 Ų136145.4 Ų145.471%0.71276%0.761SS**  trans70.3126.8166.9-56.4-178.2000116.7
567H29.5Very low33.6Very low147 Ų147149.6 Ų149.668%0.68177%0.765SS**  cis104.5114.429.6175-127.8000111.3
568L31.5Very low33.3Very low163 Ų163144.9 Ų144.985%0.85376%0.757SS**  trans-166.8172.8149-110.7168.5000112.1
569L29.5Very low33.3Very low134 Ų134137.8 Ų137.870%0.70275%0.745SS**  trans-113.3160.3-156.7-77146.2000115.2
570S33.8Very low33.3Very low98 Ų98143.8 Ų143.869%0.68575%0.75SS**  trans-2.1136.4155.4-46.70000120.9
571R32Very low33.1Very low233 Ų233140.5 Ų140.588%0.87974%0.741SS**  -125.4133.2123.5-86.6-178.4131-96.33.5108.1
572Q30.4Very low33.1Very low130 Ų130140.2 Ų140.261%0.60774%0.74SS**  cis103.888.729.4-171.984.44.100111.6
573L31.6Very low33.2Very low126 Ų126138 Ų13866%0.6675%0.748SS**  trans67.4158.9148.9-52.8-179.2000118.1
574E30.9Very low32.8Very low161 Ų161141.7 Ų141.775%0.75276%0.755SS**  cis-137.1172.110.7-71-77.236.900112.9
575D32Very low32.9Very low147 Ų147142.4 Ų142.479%0.78676%0.761SS**  trans-72.2-166.8166-87.3-64000114.6
576P54.8Low33.5Very low101 Ų101140.5 Ų140.566%0.65677%0.765SS**  cis-134.2-170.7-47.737.6-20.7000113.9
577N32.6Very low33.5Very low166 Ų166142.9 Ų142.989%0.88877%0.772SS**  trans68.3141.8169.9-68.9-26.3000117.9
578G30Very low34Very low66 Ų66143.4 Ų143.468%0.6878%0.779SS**  cis166.8145.6-10.400000114
579S33.2Very low33.9Very low96 Ų96141.6 Ų141.667%0.67178%0.78SS**  trans64.8126.7175.2-159.30000116
580F28.3Very low34.4Very low197 Ų197141.2 Ų141.286%0.86478%0.783SS**  -164.7165.873.1-100.9-80.3000114.5
581S32.5Very low34.7Very low92 Ų92141 Ų14164%0.64379%0.788SS**  trans-38.5144.9-176.554.80000122.2
582N32.8Very low35.4Very low161 Ų161138.9 Ų138.986%0.86179%0.788SS**  trans55.3109.6140.4-68.5-22.8000121.3
583A32.6Very low35.8Very low103 Ų103141.4 Ų141.485%0.85180%0.797SS**  trans-158.1153.3133.900000110.5
584E37.4Very low36.4Very low193 Ų193140.8 Ų140.890%0.90280%0.8SS**  trans-78.9140.3170.8-67.7166.764.500111.6
585M33.5Very low37.6Very low179 Ų179141.5 Ų141.588%0.88280%0.804SS**  trans-154.9138.6134.2-167.8148.8-72.900111.6E587M585-E587 PolarHBondContact O-N 3.14Å
586S43.3Very low38.7Very low121 Ų121138.8 Ų138.885%0.84679%0.785SS**  trans-54.4122.6-178.3-46.30000114.3
587E31.8Very low39.1Very low186 Ų186138.3 Ų138.387%0.86978%0.776SS**  trans-102142.4166.5-168.6165.4-160.900111.7M585 S589M585-E587 PolarHBondContact O-N 3.14Å; E587-S589 PolarHBondContact O-N 3.05Å
588L39.4Very low40.7Very low158 Ų158136.8 Ų136.883%0.82777%0.767SS**  trans-75.3112.6-170.7-67.4164.1000111.1V590L588-V590 VanDerWaalsContact C-N 3.34Å; L588-V590 PolarHBondContact O-N 2.91Å
589S30.5Very low42.8Very low125 Ų125139.6 Ų139.687%0.87476%0.763SS**  trans-68.786.8174.4-69.40000111.7E587 A591E587-S589 PolarHBondContact O-N 3.05Å; S589-A591 PolarHBondContact O-N 3.41Å; S589-A591 VanDerWaalsContact O-N 3.15Å
590V39.5Very low44.9Very low126 Ų126137.4 Ų137.476%0.76474%0.74SS**  trans-59.2114.5168.2176.10000108.6L588 Q592L588-V590 VanDerWaalsContact C-N 3.34Å; L588-V590 PolarHBondContact O-N 2.91Å; V590-Q592 PolarHBondContact O-N 3.35Å
591A39.1Very low47.4Very low94 Ų94128.3 Ų128.378%0.77770%0.7SS**  trans-65.3100.2-179.400000110.7S589 K593S589-A591 PolarHBondContact O-N 3.41Å; S589-A591 VanDerWaalsContact O-N 3.15Å; A591-K593 PolarHBondContact O-N 3.44Å
592Q47.1Very low49.5Very low188 Ų188131.1 Ų131.188%0.87970%0.701SS**  trans-62.7109.8173.5-72.2-173.9-9.300109.7V590V590-Q592 PolarHBondContact O-N 3.35Å
593K38.3Very low51.6Low183 Ų183131 Ų13180%0.79669%0.69SS**PPolyproline II helixtrans-60.3126.7171.9-177175-174.6169.80108.6A591 E595A591-K593 PolarHBondContact O-N 3.44Å; K593-E595 PolarHBondContact O-N 3.45Å
594P44.9Very low53.6Low114 Ų114129.2 Ų129.274%0.7466%0.661SS**PPolyproline II helixtrans-60.3130-177.823.7-33.4000110.5K596P594-K596 PolarHBondContact O-N 2.86Å
595E55.7Low55.3Low175 Ų175125 Ų12582%0.81865%0.65SS**PPolyproline II helixtrans-62.1126.5179.6-168.7178.217000109.9K593 L597K593-E595 PolarHBondContact O-N 3.45Å; E595-L597 PolarHBondContact O-N 2.95Å
596K56.1Low57.2Low91 Ų91120.6 Ų120.640%0.39664%0.643SS.*PPolyproline II helixtrans-70.6123.8178.4-70.9-165.3171.6-169.90109.2P594 L598 D611P594-K596 PolarHBondContact O-N 2.86Å; K596-L598 PolarHBondContact O-N 3.04Å; K596-D611 WeakPolarHBondContact CE-O 3.48Å; K596-D611 PolarHBondContact NZ-O 3.44Å
597L62.7Low59.1Low90 Ų90115.8 Ų115.847%0.47161%0.609SS.*EExtended strand (participates in β ladder)trans-58.7128.7175.1-61.9176.3000109.3E595 E599 A614 Y615 H616E595-L597 PolarHBondContact O-N 2.95Å; L597-E599 PolarHBondContact O-N 3.24Å; L597-A614 PolarHBondContact N-O 2.9Å; L597-Y615 HydrophobicContact CB-CD1 4.38Å; L597-Y615 HydrophobicContact CD1-CD1 4.21Å; L597-Y615 HydrophobicContact CD1-CE1 3.77Å; L597-H616 PolarHBondContact O-N 3.33Å
598L65.3Low61.5Low134 Ų134114.9 Ų114.970%0.70260%0.602SS**EExtended strand (participates in β ladder)trans-64.5-6.8178.9-65.2173.1000113.1K596 L635K596-L598 PolarHBondContact O-N 3.04Å; L598-L635 HydrophobicContact CD2-CD1 4.48Å; L598-L635 VanDerWaalsContact O-CD2 3.24Å; L598-L635 WeakPolarHBondContact O-CD2 3.38Å
599E74.2Confident63.4Low126 Ų126112 Ų11259%0.58959%0.588SS**EExtended strand (participates in β ladder)trans-74.1130.4171.1-171.1171.5-156.900111.2L597 C601 Y615 H616L597-E599 PolarHBondContact O-N 3.24Å; E599-C601 PolarHBondContact O-N 3Å; E599-Y615 HydrophobicContact CB-CD1 4.33Å; E599-H616 PolarHBondContact O-N 3.04Å
600R77.9Confident65.5Low50 Ų50107.8 Ų107.819%0.18956%0.563CS.*EExtended strand (participates in β ladder)trans-63131.9174.8169.2179.1-79133.4-4.6110.3K602 H616 P618 E632 C634 L635 F636R600-K602 PolarHBondContact O-N 2.59Å; R600-K602 VanDerWaalsContact O-N 3.16Å; R600-H616 WeakPolarHBondContact CA-O 3.37Å; R600-P618 HydrophobicContact CG-CG 4.41Å; R600-E632 PolarHBondContact NH1-O 2.94Å; R600-C634 PolarHBondContact NH1-O 3.22Å; R600-C634 PolarHBondContact NH2-O 3.26Å; R600-L635 PolarHBondContact NH2-O 3.32Å; R600-F636 PolarHBondContact NH2-O 3.38Å; R600-F636 VanDerWaalsContact NH2-O 3.09Å
601C81.6Confident67Low5 Ų5106.7 Ų106.73%0.03455%0.553CS.*PPolyproline II helixtrans-56.8121.1-179.7-175.80000112.5E599 Y603 W604 C607 Y615 H616 H617E599-C601 PolarHBondContact O-N 3Å; C601-Y603 PolarHBondContact O-N 3.24Å; C601-Y603 VanDerWaalsContact O-N 3.11Å; C601-Y603 PolarHBondContact SG-N 3.38Å; C601-W604 HydrophobicContact CB-CB 4.11Å; C601-W604 WeakPolarHBondContact O-CB 3.46Å; C601-W604 PolarHBondContact O-N 3.25Å; C601-W604 VanDerWaalsContact O-N 3.08Å; C601-C607 VanDerWaalsContact SG-SG 3.65Å; C601-Y615 VanDerWaalsContact CA-CB 3.5Å; C601-H616 PolarHBondContact N-O 3.26Å; C601-H617 WeakPolarHBondContact CB-CD2 3.36Å; C601-H617 WeakPolarHBondContact CB-NE2 3.24Å; C601-H617 PolarHBondContact SG-NE2 3.17Å; C601-H617 VanDerWaalsContact SG-NE2 3.41Å
602K76.8Confident68.7Low151 Ų151110.8 Ų110.866%0.65756%0.556SS**THydrogen-bonded Turntrans-55.5-26.3176-176.9176.1179.4179.10113.8R600R600-K602 PolarHBondContact O-N 2.59Å; R600-K602 VanDerWaalsContact O-N 3.16Å
603Y75.4Confident70.3Confident158 Ų158102.3 Ų102.362%0.6252%0.517SS*.THydrogen-bonded Turntrans-96.1-4.3-177.7-55.6-69000113.7C601 A606 C607C601-Y603 PolarHBondContact O-N 3.24Å; C601-Y603 VanDerWaalsContact O-N 3.11Å; C601-Y603 PolarHBondContact SG-N 3.38Å; Y603-A606 CarbonylContact O-C 3.59Å; Y603-A606 WeakPolarHBondContact O-CA 3.34Å; Y603-A606 PolarHBondContact O-N 3.39Å; Y603-C607 PolarHBondContact O-N 2.95Å; Y603-C607 VanDerWaalsContact O-N 3.09Å
604W75Confident72.3Confident66 Ų6696.3 Ų96.325%0.2550%0.502CS..THydrogen-bonded Turntrans-69.4136.3177.4-178.592.1000111.4C601 H617 P618 V637C601-W604 HydrophobicContact CB-CB 4.11Å; C601-W604 WeakPolarHBondContact O-CB 3.46Å; C601-W604 PolarHBondContact O-N 3.25Å; C601-W604 VanDerWaalsContact O-N 3.08Å; W604-H617 AromaticContact CD1-CD2 3.45Å; W604-H617 VanDerWaalsContact CD1-CD2 3.45Å; W604-H617 AromaticContact CD1-CG 3.69Å; W604-H617 AromaticContact CG-CD2 3.9Å; W604-P618 HydrophobicContact CD2-CG 4.41Å; W604-P618 HydrophobicContact CH2-CB 4.49Å; W604-P618 HydrophobicContact CZ2-CB 4.19Å; W604-P618 HydrophobicContact CZ2-CG 4.36Å; W604-P618 WeakPolarHBondContact CZ2-O 3.39Å; W604-P618 PolarHBondContact NE1-O 3.34Å; W604-V637 HydrophobicContact CH2-CG2 4.04Å; W604-V637 HydrophobicContact CZ2-CG2 4.29Å
605P73.7Confident73.9Confident104 Ų10495.6 Ų95.668%0.67549%0.485SS*.THydrogen-bonded Turncis-86.4-8.38.934.3-37.1000115.6C607P605-C607 PolarHBondContact O-N 2.76Å; P605-C607 VanDerWaalsContact O-N 3.1Å
606A73.9Confident75.1Confident88 Ų8889.6 Ų89.673%0.72746%0.457SS*.SBendtrans-80.522.9-176.200000114.8Y603 K608Y603-A606 CarbonylContact O-C 3.59Å; Y603-A606 WeakPolarHBondContact O-CA 3.34Å; Y603-A606 PolarHBondContact O-N 3.39Å; A606-K608 PolarHBondContact O-N 3.14Å
607C83.4Confident76.3Confident19 Ų1986.3 Ų86.313%0.12844%0.443CS..  trans-83.1115.9-174.8-173.80000111.3C601 Y603 P605 N609 G610 H617C601-C607 VanDerWaalsContact SG-SG 3.65Å; Y603-C607 PolarHBondContact O-N 2.95Å; Y603-C607 VanDerWaalsContact O-N 3.09Å; P605-C607 PolarHBondContact O-N 2.76Å; P605-C607 VanDerWaalsContact O-N 3.1Å; C607-N609 PolarHBondContact O-N 3.4Å; C607-N609 VanDerWaalsContact O-N 3.09Å; C607-G610 PolarHBondContact O-N 2.78Å; C607-H617 VanDerWaalsContact CB-CE1 3.48Å; C607-H617 WeakPolarHBondContact CB-CE1 3.32Å; C607-H617 VanDerWaalsContact CB-NE2 3.32Å; C607-H617 WeakPolarHBondContact CB-NE2 3.33Å
608K81.4Confident77.1Confident167 Ų16782.2 Ų82.273%0.72642%0.422SS*.THydrogen-bonded Turntrans-65.6-9.9-178.3-63.3-170.8176.2-174.20114.6A39 A606A39-K608 PolarHBondContact O-NZ 3.31Å; A606-K608 PolarHBondContact O-N 3.14Å
609N79.2Confident77.5Confident99 Ų9982 Ų8253%0.52942%0.42SS..THydrogen-bonded Turntrans-87.2-5.9-179.2-65.677000114.5C607 D611 E612 C613C607-N609 PolarHBondContact O-N 3.4Å; C607-N609 VanDerWaalsContact O-N 3.09Å; N609-D611 PolarHBondContact O-N 3.31Å; N609-E612 CarbonylContact O-C 3.46Å; N609-E612 WeakPolarHBondContact O-CA 3.19Å; N609-E612 WeakPolarHBondContact O-CB 3.44Å; N609-E612 PolarHBondContact O-N 2.87Å; N609-C613 HydrophobicContact CB-CB 3.81Å; N609-C613 PolarHBondContact O-N 2.69Å
610G75.3Confident77.8Confident35 Ų3578.5 Ų78.536%0.36141%0.409SS..G310 helixtrans50.6-138.717700000113.3C607 E612 C613 H617C607-G610 PolarHBondContact O-N 2.78Å; G610-E612 PolarHBondContact O-N 3.26Å; G610-C613 WeakPolarHBondContact O-CB 3.45Å; G610-C613 PolarHBondContact O-N 3.26Å; G610-H617 PolarHBondContact O-CE1 2.69Å; G610-H617 PolarHBondContact O-ND1 3.06Å
611D69.8Low78Confident103 Ų10380.6 Ų80.655%0.55143%0.43SS*.G310 helixtrans-73.8-5.2177-73.2-65.2000114.8K596 N609 C613 I619K596-D611 WeakPolarHBondContact CE-O 3.48Å; K596-D611 PolarHBondContact NZ-O 3.44Å; N609-D611 PolarHBondContact O-N 3.31Å; D611-C613 VanDerWaalsContact C-N 3.31Å; D611-I619 WeakPolarHBondContact OD1-CD1 3.37Å
612E74.8Confident78Confident181 Ų18181 Ų8185%0.84643%0.432SS*.G310 helixtrans-891.7172.4-57.7-177.9161.500112.4N609 G610 A614N609-E612 CarbonylContact O-C 3.46Å; N609-E612 WeakPolarHBondContact O-CA 3.19Å; N609-E612 WeakPolarHBondContact O-CB 3.44Å; N609-E612 PolarHBondContact O-N 2.87Å; G610-E612 PolarHBondContact O-N 3.26Å; E612-A614 PolarHBondContact O-N 3.27Å
613C80.5Confident78.2Confident9 Ų984 Ų846%0.06145%0.445CS..  trans-64.2132.7173.4-160.70000111.4N609 G610 D611 Y615 H617N609-C613 HydrophobicContact CB-CB 3.81Å; N609-C613 PolarHBondContact O-N 2.69Å; G610-C613 WeakPolarHBondContact O-CB 3.45Å; G610-C613 PolarHBondContact O-N 3.26Å; D611-C613 VanDerWaalsContact C-N 3.31Å; C613-Y615 PolarHBondContact O-N 3.15Å; C613-H617 WeakPolarHBondContact CB-CE1 3.49Å
614A81.7Confident78.3Confident57 Ų5779 Ų7947%0.47144%0.437SS..SBendtrans-65.4-13.2173.400000113.6L597 E612L597-A614 PolarHBondContact N-O 2.9Å; E612-A614 PolarHBondContact O-N 3.27Å
615Y77.8Confident78.5Confident100 Ų10079.2 Ų79.239%0.39244%0.439SS..EExtended strand (participates in β ladder)trans-109148.1178.1-62.1-92.1000110.8L597 E599 C601 C613 H617L597-Y615 HydrophobicContact CB-CD1 4.38Å; L597-Y615 HydrophobicContact CD1-CD1 4.21Å; L597-Y615 HydrophobicContact CD1-CE1 3.77Å; E599-Y615 HydrophobicContact CB-CD1 4.33Å; C601-Y615 VanDerWaalsContact CA-CB 3.5Å; C613-Y615 PolarHBondContact O-N 3.15Å; Y615-H617 PolarHBondContact O-N 2.92Å
616H81.6Confident78.8Confident48 Ų4877.8 Ų77.822%0.22243%0.43CS..EExtended strand (participates in β ladder)trans-66128.2-172.2-178.3-83.9000113.5L597 E599 R600 C601 L635L597-H616 PolarHBondContact O-N 3.33Å; E599-H616 PolarHBondContact O-N 3.04Å; R600-H616 WeakPolarHBondContact CA-O 3.37Å; C601-H616 PolarHBondContact N-O 3.26Å; H616-L635 PolarHBondContact CE1-O 2.87Å; H616-L635 VanDerWaalsContact CE1-O 3.32Å
617H81.5Confident78.9Confident23 Ų2380.8 Ų80.811%0.10643%0.434CS..  trans-103.6113.6171.5-75166.2000111.2C601 W604 C607 G610 C613 Y615 I619C601-H617 WeakPolarHBondContact CB-CD2 3.36Å; C601-H617 WeakPolarHBondContact CB-NE2 3.24Å; C601-H617 PolarHBondContact SG-NE2 3.17Å; C601-H617 VanDerWaalsContact SG-NE2 3.41Å; W604-H617 AromaticContact CD1-CD2 3.45Å; W604-H617 VanDerWaalsContact CD1-CD2 3.45Å; W604-H617 AromaticContact CD1-CG 3.69Å; W604-H617 AromaticContact CG-CD2 3.9Å; C607-H617 VanDerWaalsContact CB-CE1 3.48Å; C607-H617 WeakPolarHBondContact CB-CE1 3.32Å; C607-H617 VanDerWaalsContact CB-NE2 3.32Å; C607-H617 WeakPolarHBondContact CB-NE2 3.33Å; G610-H617 PolarHBondContact O-CE1 2.69Å; G610-H617 PolarHBondContact O-ND1 3.06Å; C613-H617 WeakPolarHBondContact CB-CE1 3.49Å; Y615-H617 PolarHBondContact O-N 2.92Å; H617-I619 PolarHBondContact O-N 2.75Å
618P78.2Confident78.7Confident3 Ų380.4 Ų80.42%0.01943%0.431CS..  trans-68.7118.4172.7-13.627.3000110.7R600 W604 L635 V637R600-P618 HydrophobicContact CG-CG 4.41Å; W604-P618 HydrophobicContact CD2-CG 4.41Å; W604-P618 HydrophobicContact CH2-CB 4.49Å; W604-P618 HydrophobicContact CZ2-CB 4.19Å; W604-P618 HydrophobicContact CZ2-CG 4.36Å; W604-P618 WeakPolarHBondContact CZ2-O 3.39Å; W604-P618 PolarHBondContact NE1-O 3.34Å; P618-L635 VanDerWaalsContact CB-O 3.31Å; P618-L635 WeakPolarHBondContact CB-O 3.18Å; P618-L635 VanDerWaalsContact CG-O 3.28Å; P618-L635 WeakPolarHBondContact CG-O 3.43Å; P618-V637 HydrophobicContact CB-CG2 3.57Å
619I74.1Confident78.5Confident129 Ų12981 Ų8166%0.66243%0.434SS*.  trans-107.3-33.9172.7-62.7172.5000110.7D611 H617D611-I619 WeakPolarHBondContact OD1-CD1 3.37Å; H617-I619 PolarHBondContact O-N 2.75Å
620S80.1Confident78.1Confident53 Ų5382 Ų8237%0.37143%0.434SS..SBendtrans-100.1146-178.147.20000113.9F636 V637S620-F636 WeakPolarHBondContact OG-CD1 3.43Å; S620-V637 PolarHBondContact O-N 3.47Å
621P81.7Confident78Confident95 Ų9580.9 Ų80.962%0.61742%0.421SS*.BIsolated β-bridgetrans-69.9152.8170.531-35.1000111.2K623 V637P621-K623 PolarHBondContact O-N 3.08Å; P621-K623 VanDerWaalsContact O-N 3.16Å; P621-V637 CarbonylContact C-O 3.52Å; P621-V637 WeakPolarHBondContact CA-O 3.4Å
622C83.1Confident78Confident13 Ų1378.1 Ų78.19%0.08841%0.405CS..  trans-72.1111.1-178.5-171.90000111.7A624 F625 C628 C634 F636 V637 H638C622-A624 PolarHBondContact O-N 3.07Å; C622-A624 PolarHBondContact SG-N 3.08Å; C622-F625 HydrophobicContact CB-CB 4.34Å; C622-F625 WeakPolarHBondContact O-CB 3.31Å; C622-F625 PolarHBondContact O-N 3.06Å; C622-C628 PolarHBondContact SG-SG 3.09Å; C622-C634 VanDerWaalsContact SG-SG 3.61Å; C622-F636 HydrophobicContact CB-CB 3.68Å; C622-V637 PolarHBondContact N-O 3.02Å; C622-H638 WeakPolarHBondContact CB-CD2 3.43Å; C622-H638 WeakPolarHBondContact CB-NE2 3.35Å
623K80.4Confident77.8Confident214 Ų21478.4 Ų78.493%0.9340%0.403SS*.THydrogen-bonded Turntrans-58.5-17.7174.2-61.3-174.6178.9-175.30114.2P621P621-K623 PolarHBondContact O-N 3.08Å; P621-K623 VanDerWaalsContact O-N 3.16Å
624A78.1Confident77.8Confident53 Ų5378.2 Ų78.244%0.43840%0.402SS..THydrogen-bonded Turntrans-95.4-0.1177.300000114C622 N627 C628C622-A624 PolarHBondContact O-N 3.07Å; C622-A624 PolarHBondContact SG-N 3.08Å; A624-N627 CarbonylContact O-C 3.23Å; A624-N627 VanDerWaalsContact O-C 3.23Å; A624-N627 WeakPolarHBondContact O-CA 3.14Å; A624-N627 PolarHBondContact O-N 3.14Å; A624-C628 HydrophobicContact CB-CB 4.01Å; A624-C628 PolarHBondContact O-N 3.42Å
625F78.2Confident77.6Confident70 Ų7078.2 Ų78.231%0.30739%0.394SS..  trans-68.1136.9173.2-178.8-88.8000110.1C622 H638 P639 P653 F654C622-F625 HydrophobicContact CB-CB 4.34Å; C622-F625 WeakPolarHBondContact O-CB 3.31Å; C622-F625 PolarHBondContact O-N 3.06Å; F625-H638 HydrophobicContact CD2-CB 4.2Å; F625-P639 HydrophobicContact CD2-CG 4.26Å; F625-P639 HydrophobicContact CE1-CG 3.9Å; F625-P639 HydrophobicContact CE2-CG 3.6Å; F625-P639 HydrophobicContact CZ-CG 3.4Å; F625-P639 VanDerWaalsContact CZ-CG 3.4Å; F625-P653 HydrophobicContact CE2-CB 4.38Å; F625-P653 WeakPolarHBondContact CE2-O 3.07Å; F625-F654 HydrophobicContact CE2-CD1 4.33Å; F625-F654 HydrophobicContact CE2-CE1 4.3Å; F625-F654 HydrophobicContact CZ-CD1 4.27Å; F625-F654 AromaticContact CZ-CE1 3.8Å; F625-F654 HydrophobicContact CZ-CE1 3.8Å; F625-F654 AromaticContact CZ-CZ 3.98Å; F625-F654 HydrophobicContact CZ-CZ 3.98Å
626P80.2Confident77.7Confident74 Ų7477.8 Ų77.848%0.48139%0.394SS..SBendcis-85-15833.5-36.1000115.5C628 P653P626-C628 PolarHBondContact O-N 3Å; P626-P653 WeakPolarHBondContact O-CB 3.4Å
627N75.8Confident77.7Confident152 Ų15277.9 Ų77.981%0.81340%0.398SS*.SBendtrans-83.829-171.5-63.2-12.9000113.9A624 K629A624-N627 CarbonylContact O-C 3.23Å; A624-N627 VanDerWaalsContact O-C 3.23Å; A624-N627 WeakPolarHBondContact O-CA 3.14Å; A624-N627 PolarHBondContact O-N 3.14Å; N627-K629 PolarHBondContact O-N 3.43Å; N627-K629 VanDerWaalsContact O-N 3.16Å
628C79.8Confident77.8Confident10 Ų1076.9 Ų76.97%0.06839%0.393CS..  trans-79.8104.6-171.3179.30000111.7C622 A624 P626 F630 A631 C634 H638C622-C628 PolarHBondContact SG-SG 3.09Å; A624-C628 HydrophobicContact CB-CB 4.01Å; A624-C628 PolarHBondContact O-N 3.42Å; P626-C628 PolarHBondContact O-N 3Å; C628-F630 PolarHBondContact O-N 2.87Å; C628-A631 PolarHBondContact O-N 3.25Å; C628-C634 VanDerWaalsContact SG-SG 3.61Å; C628-H638 VanDerWaalsContact CB-CE1 3.44Å; C628-H638 WeakPolarHBondContact CB-CE1 3.46Å; C628-H638 PolarHBondContact SG-CE1 3.02Å; C628-H638 PolarHBondContact SG-NE2 2.71Å; C628-H638 VanDerWaalsContact SG-NE2 3.42Å
629K76.4Confident78Confident181 Ų18179.6 Ų79.679%0.78741%0.411SS*.THydrogen-bonded Turntrans-55.2-9.517968.9179.3-178.6177.90116.5N627N627-K629 PolarHBondContact O-N 3.43Å; N627-K629 VanDerWaalsContact O-N 3.16Å
630F72.2Confident78.4Confident120 Ų12078.4 Ų78.453%0.52641%0.406SS..THydrogen-bonded Turntrans-99.7-10178.9-59.6-69.1000113.8C628 E632 K633 C634C628-F630 PolarHBondContact O-N 2.87Å; F630-E632 PolarHBondContact O-N 2.94Å; F630-K633 CarbonylContact O-C 3.59Å; F630-K633 WeakPolarHBondContact O-CA 3.35Å; F630-K633 WeakPolarHBondContact O-CB 3.34Å; F630-K633 PolarHBondContact O-N 3.15Å; F630-C634 HydrophobicContact CB-CB 3.73Å; F630-C634 PolarHBondContact O-N 2.82Å
631A72.8Confident78.7Confident11 Ų1176.4 Ų76.49%0.09139%0.392CS..G310 helixtrans44-123.417400000113.4C628 K633 C634 H638 C652C628-A631 PolarHBondContact O-N 3.25Å; A631-K633 VanDerWaalsContact C-N 3.28Å; A631-K633 PolarHBondContact O-N 2.58Å; A631-C634 VanDerWaalsContact O-CB 3.22Å; A631-C634 WeakPolarHBondContact O-CB 3.28Å; A631-C634 PolarHBondContact O-N 3.03Å; A631-H638 PolarHBondContact O-CE1 3.46Å; A631-H638 VanDerWaalsContact O-CE1 3.32Å; A631-C652 WeakPolarHBondContact CB-O 3.32Å
632E68.8Low78.7Confident44 Ų4480.2 Ų80.221%0.20640%0.399CS..G310 helixtrans-63.6-29.4178.1-65.5176.2-145.400114.1R600 F630 C634 H656 R659R600-E632 PolarHBondContact NH1-O 2.94Å; F630-E632 PolarHBondContact O-N 2.94Å; E632-C634 VanDerWaalsContact C-N 3.31Å; E632-H656 VanDerWaalsContact CD-ND1 3.32Å; E632-H656 HydrophobicContact CG-CB 4.45Å; E632-H656 IonicContact OE1-CE1 3.28Å; E632-H656 IonicContact OE1-CG 3.93Å; E632-H656 IonicContact OE1-ND1 3.73Å; E632-H656 PolarHBondContact OE1-ND1 3.21Å; E632-R659 VanDerWaalsContact OE1-CD 3.28Å; E632-R659 WeakPolarHBondContact OE1-CD 3.32Å; E632-R659 IonicContact OE1-CZ 2.74Å; E632-R659 IonicContact OE1-NE 3.06Å; E632-R659 IonicContact OE1-NH1 2.74Å; E632-R659 PolarHBondContact OE1-NH1 3.39Å; E632-R659 WeakPolarHBondContact OE2-CB 3.4Å; E632-R659 WeakPolarHBondContact OE2-CD 3.48Å; E632-R659 IonicContact OE2-NH1 3.52Å
633K70Confident78.7Confident188 Ų18886.2 Ų86.282%0.81742%0.42SS*.G310 helixtrans-82.5-6.2179.3-59.6-174.8-179.9-177.20113F630 A631 L635F630-K633 CarbonylContact O-C 3.59Å; F630-K633 WeakPolarHBondContact O-CA 3.35Å; F630-K633 WeakPolarHBondContact O-CB 3.34Å; F630-K633 PolarHBondContact O-N 3.15Å; A631-K633 VanDerWaalsContact C-N 3.28Å; A631-K633 PolarHBondContact O-N 2.58Å; K633-L635 PolarHBondContact O-N 2.77Å
634C80.8Confident78.8Confident4 Ų477.8 Ų77.83%0.02739%0.386CS..  trans-58.9133.3173.9-173.80000110.3R600 C622 C628 F630 A631 E632 F636 H638R600-C634 PolarHBondContact NH1-O 3.22Å; R600-C634 PolarHBondContact NH2-O 3.26Å; C622-C634 VanDerWaalsContact SG-SG 3.61Å; C628-C634 VanDerWaalsContact SG-SG 3.61Å; F630-C634 HydrophobicContact CB-CB 3.73Å; F630-C634 PolarHBondContact O-N 2.82Å; A631-C634 VanDerWaalsContact O-CB 3.22Å; A631-C634 WeakPolarHBondContact O-CB 3.28Å; A631-C634 PolarHBondContact O-N 3.03Å; E632-C634 VanDerWaalsContact C-N 3.31Å; C634-F636 VanDerWaalsContact C-N 3.27Å; C634-F636 PolarHBondContact O-N 3.44Å; C634-H638 WeakPolarHBondContact CB-NE2 3.34Å; C634-H638 PolarHBondContact SG-NE2 3.09Å
635L77.8Confident78.9Confident57 Ų5779.1 Ų79.130%0.29840%0.396SS..SBendtrans-68-26.6178.8-60.4-178.2000112.8L598 R600 H616 P618 K633L598-L635 HydrophobicContact CD2-CD1 4.48Å; L598-L635 VanDerWaalsContact O-CD2 3.24Å; L598-L635 WeakPolarHBondContact O-CD2 3.38Å; R600-L635 PolarHBondContact NH2-O 3.32Å; H616-L635 PolarHBondContact CE1-O 2.87Å; H616-L635 VanDerWaalsContact CE1-O 3.32Å; P618-L635 VanDerWaalsContact CB-O 3.31Å; P618-L635 WeakPolarHBondContact CB-O 3.18Å; P618-L635 VanDerWaalsContact CG-O 3.28Å; P618-L635 WeakPolarHBondContact CG-O 3.43Å; K633-L635 PolarHBondContact O-N 2.77Å
636F80.3Confident79Confident92 Ų9284.4 Ų84.440%0.40442%0.419SS..SBendtrans-84.5164.3179.5-57.5-74.4000113R600 S620 C622 C634R600-F636 PolarHBondContact NH2-O 3.38Å; R600-F636 VanDerWaalsContact NH2-O 3.09Å; S620-F636 WeakPolarHBondContact OG-CD1 3.43Å; C622-F636 HydrophobicContact CB-CB 3.68Å; C634-F636 VanDerWaalsContact C-N 3.27Å; C634-F636 PolarHBondContact O-N 3.44Å
637V82.3Confident79.2Confident50 Ų5081.7 Ų81.730%0.30340%0.402SS..BIsolated β-bridgetrans-77128.3-179.7-174.40000111W604 P618 S620 P621 C622W604-V637 HydrophobicContact CH2-CG2 4.04Å; W604-V637 HydrophobicContact CZ2-CG2 4.29Å; P618-V637 HydrophobicContact CB-CG2 3.57Å; S620-V637 PolarHBondContact O-N 3.47Å; P621-V637 CarbonylContact C-O 3.52Å; P621-V637 WeakPolarHBondContact CA-O 3.4Å; C622-V637 PolarHBondContact N-O 3.02Å
638H82.1Confident79.6Confident1 Ų180.8 Ų80.81%0.00540%0.402CS..  trans-111.8147164.1-58.3-165.1000109.1C622 F625 C628 A631 C634 P653 T655C622-H638 WeakPolarHBondContact CB-CD2 3.43Å; C622-H638 WeakPolarHBondContact CB-NE2 3.35Å; F625-H638 HydrophobicContact CD2-CB 4.2Å; C628-H638 VanDerWaalsContact CB-CE1 3.44Å; C628-H638 WeakPolarHBondContact CB-CE1 3.46Å; C628-H638 PolarHBondContact SG-CE1 3.02Å; C628-H638 PolarHBondContact SG-NE2 2.71Å; C628-H638 VanDerWaalsContact SG-NE2 3.42Å; A631-H638 PolarHBondContact O-CE1 3.46Å; A631-H638 VanDerWaalsContact O-CE1 3.32Å; C634-H638 WeakPolarHBondContact CB-NE2 3.34Å; C634-H638 PolarHBondContact SG-NE2 3.09Å; H638-P653 PolarHBondContact ND1-O 3.49Å; H638-T655 HydrophobicContact CB-CG2 3.71Å; H638-T655 PolarHBondContact O-OG1 2.89Å
639P82.9Confident79.5Confident60 Ų6086.9 Ų86.939%0.3943%0.428SS..PPolyproline II helixtrans-55.6150.8174.423.7-34.3000112.2F625 F654 T655F625-P639 HydrophobicContact CD2-CG 4.26Å; F625-P639 HydrophobicContact CE1-CG 3.9Å; F625-P639 HydrophobicContact CE2-CG 3.6Å; F625-P639 HydrophobicContact CZ-CG 3.4Å; F625-P639 VanDerWaalsContact CZ-CG 3.4Å; P639-F654 HydrophobicContact CB-CD1 4.19Å; P639-F654 HydrophobicContact CB-CE1 4.47Å; P639-F654 HydrophobicContact CG-CD1 3.84Å; P639-F654 HydrophobicContact CG-CE1 3.98Å; P639-F654 CarbonylContact O-C 3.59Å; P639-F654 VanDerWaalsContact O-CA 3.3Å; P639-F654 WeakPolarHBondContact O-CA 3.31Å; P639-F654 WeakPolarHBondContact O-CB 3.24Å; P639-T655 PolarHBondContact O-N 2.96Å
640N82.8Confident79.4Confident104 Ų10482.6 Ų82.656%0.55642%0.418SS*.BIsolated β-bridgetrans-68.3144.5-175.6-62.279.9000112.7K642 T655 V657N640-K642 PolarHBondContact O-N 3.43Å; N640-T655 CarbonylContact C-O 3.53Å; N640-T655 WeakPolarHBondContact CA-O 3.28Å; N640-V657 VanDerWaalsContact ND2-CG2 3.28Å; N640-V657 WeakPolarHBondContact ND2-CG2 3.27Å
641C86.5Confident79.4Confident12 Ų1283.2 Ų83.28%0.08143%0.427CS..PPolyproline II helixtrans-73.3122.5175.3-177.40000111.1Y643 D644 F654 T655 H656C641-Y643 PolarHBondContact O-N 3.11Å; C641-Y643 PolarHBondContact SG-N 3.16Å; C641-D644 PolarHBondContact O-N 3.47Å; C641-F654 HydrophobicContact CB-CB 3.73Å; C641-T655 PolarHBondContact N-O 2.84Å; C641-H656 VanDerWaalsContact CB-NE2 3.3Å; C641-H656 WeakPolarHBondContact CB-NE2 3.05Å; C641-H656 PolarHBondContact SG-NE2 2.85Å
642K82.4Confident79.7Confident175 Ų17583 Ų8376%0.76143%0.425SS*.THydrogen-bonded Turntrans-48.5-31.8173.5174.8-177.1170.3-1630113.8N640N640-K642 PolarHBondContact O-N 3.43Å
643Y82.7Confident80.2Confident138 Ų13882.9 Ų82.954%0.54143%0.428SS..THydrogen-bonded Turntrans-96.2-9.5-174.3-57.1-68.2000113.5C641 A645 K646C641-Y643 PolarHBondContact O-N 3.11Å; C641-Y643 PolarHBondContact SG-N 3.16Å; Y643-A645 PolarHBondContact O-N 3.38Å; Y643-K646 WeakPolarHBondContact O-CA 3.24Å; Y643-K646 VanDerWaalsContact O-CB 3.32Å; Y643-K646 WeakPolarHBondContact O-CB 3.28Å; Y643-K646 PolarHBondContact O-N 3.1Å
644D82Confident80.7Confident38 Ų3877.7 Ų77.720%0.20341%0.405CS..G310 helixtrans22-112.2-169.1-164.432.1000115C641 K646 C647 H656 V657 S658C641-D644 PolarHBondContact O-N 3.47Å; D644-K646 PolarHBondContact O-N 3.42Å; D644-C647 VanDerWaalsContact O-CB 3.31Å; D644-C647 WeakPolarHBondContact O-CB 3.31Å; D644-C647 PolarHBondContact O-N 3.11Å; D644-H656 PolarHBondContact O-CD2 3.41Å; D644-H656 PolarHBondContact O-NE2 3.09Å; D644-H656 VanDerWaalsContact OD1-CA 3.24Å; D644-H656 WeakPolarHBondContact OD1-CA 3.28Å; D644-H656 WeakPolarHBondContact OD1-CB 3.5Å; D644-H656 IonicContact OD1-CD2 3.62Å; D644-H656 PolarHBondContact OD1-CD2 2.93Å; D644-H656 IonicContact OD1-CG 2.71Å; D644-V657 PolarHBondContact OD1-N 3.08Å; D644-S658 PolarHBondContact OD1-N 3.48Å; D644-S658 VanDerWaalsContact OD2-CB 3.28Å; D644-S658 WeakPolarHBondContact OD2-CB 3.36Å; D644-S658 PolarHBondContact OD2-N 2.98Å; D644-S658 PolarHBondContact OD2-OG 2.94Å
645A80.5Confident80.7Confident80 Ų8077.8 Ų77.866%0.66141%0.406SS*.G310 helixtrans-57.5-13.7-179.400000115.8Y643Y643-A645 PolarHBondContact O-N 3.38Å
646K80Confident80.9Confident181 Ų18175.1 Ų75.179%0.78739%0.392SS*.G310 helixtrans-99.12.5178.1-55.6177.6179.9-66.80112.9Y643 D644 T648Y643-K646 WeakPolarHBondContact O-CA 3.24Å; Y643-K646 VanDerWaalsContact O-CB 3.32Å; Y643-K646 WeakPolarHBondContact O-CB 3.28Å; Y643-K646 PolarHBondContact O-N 3.1Å; D644-K646 PolarHBondContact O-N 3.42Å; K646-T648 PolarHBondContact O-N 2.7Å
647C84.4Confident80.5Confident17 Ų1774 Ų7412%0.11539%0.393CS..  trans-75.6120.3178.6-165.50000111.5D644 H656 R659D644-C647 VanDerWaalsContact O-CB 3.31Å; D644-C647 WeakPolarHBondContact O-CB 3.31Å; D644-C647 PolarHBondContact O-N 3.11Å; C647-H656 WeakPolarHBondContact CB-NE2 3.37Å; C647-R659 PolarHBondContact O-NH2 3.4Å
648T83.2Confident79.8Confident134 Ų13474.7 Ų74.782%0.82240%0.399SS*.  trans-89.7-8.8179.551.90000113.8K646K646-T648 PolarHBondContact O-N 2.7Å
649K79.4Confident78.9Confident138 Ų13879.9 Ų79.960%0.642%0.419SS*.  trans-77.9123.7177.3-65.5-165.4174.5-165.90109.9C652K649-C652 HydrophobicContact CB-CB 4.22Å
650P73Confident77.8Confident91 Ų9181.3 Ų81.359%0.59142%0.416SS*.THydrogen-bonded Turntrans-65-56.6175.123.7-29.6000110.1C652P650-C652 VanDerWaalsContact C-N 3.26Å; P650-C652 PolarHBondContact O-N 3.26Å; P650-C652 VanDerWaalsContact O-N 3.08Å
651D72.5Confident76.2Confident132 Ų13282 Ų8271%0.70642%0.419SS*.THydrogen-bonded Turntrans-89.155.4-179.6-49.1-74.3000111.7
652C80.1Confident74Confident8 Ų885.2 Ų85.25%0.05444%0.439CS..  trans-71.9127.1174.6-164.30000110A631 K649 P650 F654A631-C652 WeakPolarHBondContact CB-O 3.32Å; K649-C652 HydrophobicContact CB-CB 4.22Å; P650-C652 VanDerWaalsContact C-N 3.26Å; P650-C652 PolarHBondContact O-N 3.26Å; P650-C652 VanDerWaalsContact O-N 3.08Å; C652-F654 PolarHBondContact O-N 2.71Å; C652-F654 VanDerWaalsContact O-N 3.15Å
653P78.4Confident72.1Confident40 Ų4083.1 Ų83.126%0.2644%0.441SS..SBendtrans-71.7-7.4-179.928.6-35000113.6F625 P626 H638F625-P653 HydrophobicContact CE2-CB 4.38Å; F625-P653 WeakPolarHBondContact CE2-O 3.07Å; P626-P653 WeakPolarHBondContact O-CB 3.4Å; H638-P653 PolarHBondContact ND1-O 3.49Å
654F80.9Confident69.8Low80 Ų8084 Ų8435%0.35146%0.455SS..SBendtrans-97.1144.5177-64.5-94.7000110.7F625 P639 C641 C652 H656F625-F654 HydrophobicContact CE2-CD1 4.33Å; F625-F654 HydrophobicContact CE2-CE1 4.3Å; F625-F654 HydrophobicContact CZ-CD1 4.27Å; F625-F654 AromaticContact CZ-CE1 3.8Å; F625-F654 HydrophobicContact CZ-CE1 3.8Å; F625-F654 AromaticContact CZ-CZ 3.98Å; F625-F654 HydrophobicContact CZ-CZ 3.98Å; P639-F654 HydrophobicContact CB-CD1 4.19Å; P639-F654 HydrophobicContact CB-CE1 4.47Å; P639-F654 HydrophobicContact CG-CD1 3.84Å; P639-F654 HydrophobicContact CG-CE1 3.98Å; P639-F654 CarbonylContact O-C 3.59Å; P639-F654 VanDerWaalsContact O-CA 3.3Å; P639-F654 WeakPolarHBondContact O-CA 3.31Å; P639-F654 WeakPolarHBondContact O-CB 3.24Å; C641-F654 HydrophobicContact CB-CB 3.73Å; C652-F654 PolarHBondContact O-N 2.71Å; C652-F654 VanDerWaalsContact O-N 3.15Å; F654-H656 PolarHBondContact O-N 3.42Å
655T81.5Confident67.6Low5 Ų587.2 Ų87.23%0.03148%0.48CS..BIsolated β-bridgetrans-73.4133.4178.958.50000112.3H638 P639 N640 C641 R660H638-T655 HydrophobicContact CB-CG2 3.71Å; H638-T655 PolarHBondContact O-OG1 2.89Å; P639-T655 PolarHBondContact O-N 2.96Å; N640-T655 CarbonylContact C-O 3.53Å; N640-T655 WeakPolarHBondContact CA-O 3.28Å; C641-T655 PolarHBondContact N-O 2.84Å; T655-R660 PolarHBondContact OG1-NH2 3.27Å
656H81.3Confident65.7Low2 Ų289.6 Ų89.61%0.00949%0.488CS..PPolyproline II helixtrans-81.1147.4163.8-67.991.9000109.8E632 C641 D644 C647 F654 R659 R660E632-H656 VanDerWaalsContact CD-ND1 3.32Å; E632-H656 HydrophobicContact CG-CB 4.45Å; E632-H656 IonicContact OE1-CE1 3.28Å; E632-H656 IonicContact OE1-CG 3.93Å; E632-H656 IonicContact OE1-ND1 3.73Å; E632-H656 PolarHBondContact OE1-ND1 3.21Å; C641-H656 VanDerWaalsContact CB-NE2 3.3Å; C641-H656 WeakPolarHBondContact CB-NE2 3.05Å; C641-H656 PolarHBondContact SG-NE2 2.85Å; D644-H656 PolarHBondContact O-CD2 3.41Å; D644-H656 PolarHBondContact O-NE2 3.09Å; D644-H656 VanDerWaalsContact OD1-CA 3.24Å; D644-H656 WeakPolarHBondContact OD1-CA 3.28Å; D644-H656 WeakPolarHBondContact OD1-CB 3.5Å; D644-H656 IonicContact OD1-CD2 3.62Å; D644-H656 PolarHBondContact OD1-CD2 2.93Å; D644-H656 IonicContact OD1-CG 2.71Å; C647-H656 WeakPolarHBondContact CB-NE2 3.37Å; F654-H656 PolarHBondContact O-N 3.42Å; H656-R659 HydrophobicContact CB-CB 3.86Å; H656-R659 HydrophobicContact CB-CG 3.99Å; H656-R660 VanDerWaalsContact O-CG 3.27Å; H656-R660 WeakPolarHBondContact O-CG 3.3Å; H656-R660 PolarHBondContact O-NE 3.42Å
657V72.1Confident63.4Low69 Ų6989.1 Ų89.142%0.41849%0.486SS..SBendtrans-102.2-44.6170.9-176.20000108.9N640 D644 R659 R660N640-V657 VanDerWaalsContact ND2-CG2 3.28Å; N640-V657 WeakPolarHBondContact ND2-CG2 3.27Å; D644-V657 PolarHBondContact OD1-N 3.08Å; V657-R659 PolarHBondContact O-N 3.47Å; V657-R659 VanDerWaalsContact O-N 3.14Å; V657-R660 WeakPolarHBondContact O-CB 3.02Å; V657-R660 PolarHBondContact O-N 3.2Å
658S66.8Low61.4Low63 Ų6393.7 Ų93.744%0.44152%0.516SS..THydrogen-bonded Turntrans-61.4-22.6178.5-63.50000114.1D644D644-S658 PolarHBondContact OD1-N 3.48Å; D644-S658 VanDerWaalsContact OD2-CB 3.28Å; D644-S658 WeakPolarHBondContact OD2-CB 3.36Å; D644-S658 PolarHBondContact OD2-N 2.98Å; D644-S658 PolarHBondContact OD2-OG 2.94Å
659R63.8Low59.3Low111 Ų11192.1 Ų92.142%0.41952%0.517SS..THydrogen-bonded Turntrans-86.8-8.7173.4-67.6-179.8174.8-1760.1114.4E632 C647 H656 V657 I661E632-R659 VanDerWaalsContact OE1-CD 3.28Å; E632-R659 WeakPolarHBondContact OE1-CD 3.32Å; E632-R659 IonicContact OE1-CZ 2.74Å; E632-R659 IonicContact OE1-NE 3.06Å; E632-R659 IonicContact OE1-NH1 2.74Å; E632-R659 PolarHBondContact OE1-NH1 3.39Å; E632-R659 WeakPolarHBondContact OE2-CB 3.4Å; E632-R659 WeakPolarHBondContact OE2-CD 3.48Å; E632-R659 IonicContact OE2-NH1 3.52Å; C647-R659 PolarHBondContact O-NH2 3.4Å; H656-R659 HydrophobicContact CB-CB 3.86Å; H656-R659 HydrophobicContact CB-CG 3.99Å; V657-R659 PolarHBondContact O-N 3.47Å; V657-R659 VanDerWaalsContact O-N 3.14Å; R659-I661 PolarHBondContact O-N 3.28Å
660R58.6Low57.6Low89 Ų8991.2 Ų91.234%0.33652%0.522SS..SBendtrans-78.7-6.7177.7-57-179.1-167.6-177.12.3113.5T655 H656 V657 P662T655-R660 PolarHBondContact OG1-NH2 3.27Å; H656-R660 VanDerWaalsContact O-CG 3.27Å; H656-R660 WeakPolarHBondContact O-CG 3.3Å; H656-R660 PolarHBondContact O-NE 3.42Å; V657-R660 WeakPolarHBondContact O-CB 3.02Å; V657-R660 PolarHBondContact O-N 3.2Å; R660-P662 WeakPolarHBondContact O-CD 3.4Å
661I50Low56.2Low120 Ų12090.5 Ų90.562%0.61552%0.524SS*.SBendtrans-89.5111.2163.8-55.6174.3000105.5R659 V663R659-I661 PolarHBondContact O-N 3.28Å; I661-V663 PolarHBondContact O-N 3Å
662P41.2Very low55.2Low78 Ų7889.5 Ų89.551%0.50653%0.525SS..  trans-59.3113.4165.6-19.832.8000107.4R660 L664R660-P662 WeakPolarHBondContact O-CD 3.4Å; P662-L664 PolarHBondContact O-N 3.3Å
663V40.8Very low53.5Low132 Ų13295 Ų9580%0.856%0.561SS**  trans-58.7114.31611750000104.9I661 S665I661-V663 PolarHBondContact O-N 3Å; V663-S665 PolarHBondContact O-N 3.45Å; V663-S665 VanDerWaalsContact O-N 3.08Å
664L35.4Very low51.9Low157 Ų15797.3 Ų97.382%0.82258%0.582SS**  trans-55.2120.8177.4-73.6169.2000107.8P662P662-L664 PolarHBondContact O-N 3.3Å
665S36.4Very low50.7Low104 Ų10498.8 Ų98.873%0.72760%0.6SS**  trans-45.9135.7170.7-48.80000108.7V663 K667V663-S665 PolarHBondContact O-N 3.45Å; V663-S665 VanDerWaalsContact O-N 3.08Å; S665-K667 PolarHBondContact O-N 2.89Å
666P39.8Very low49.3Very low130 Ų130102.5 Ų102.584%0.84462%0.624SS**  trans-55.2103.3-177.1-27.135.3000110.9
667K32.9Very low47.9Very low171 Ų171108.9 Ų108.974%0.74367%0.669SS**  trans-60.5129.5173.4-168.7173.3-175.3176.10106.2S665 A669S665-K667 PolarHBondContact O-N 2.89Å; K667-A669 PolarHBondContact O-N 3.37Å
668P41.9Very low47.2Very low114 Ų114106.7 Ų106.774%0.7466%0.657SS**  trans-52.513617922-33.4000108.8V670P668-V670 PolarHBondContact O-N 3.25Å
669A38.8Very low47.2Very low101 Ų101109.5 Ų109.584%0.83568%0.677SS**  trans-60.1101.3-160.300000111.7K667 A671K667-A669 PolarHBondContact O-N 3.37Å; A669-A671 PolarHBondContact O-N 2.96Å; A669-A671 VanDerWaalsContact O-N 3.14Å
670V43.4Very low48.1Very low119 Ų119110.4 Ų110.472%0.72169%0.686SS**PPolyproline II helixtrans-60.7117.4160-179.60000105.3P668P668-V670 PolarHBondContact O-N 3.25Å
671A43.3Very low49.4Very low75 Ų75111.4 Ų111.462%0.6270%0.697SS**PPolyproline II helixtrans-52.9146.8179.700000110.1A669A669-A671 PolarHBondContact O-N 2.96Å; A669-A671 VanDerWaalsContact O-N 3.14Å
672P52.9Low51.3Low112 Ų112105.9 Ų105.973%0.72767%0.669SS**PPolyproline II helixtrans-54.3144.6169.926-34.5000108.9A674P672-A674 PolarHBondContact O-N 3.11Å
673P43.1Very low53.4Low124 Ų124113.4 Ų113.481%0.80569%0.688SS**PPolyproline II helixtrans-52.9133.1173.424.3-33.7000108.5
674A45.3Very low55.6Low87 Ų87115.5 Ų115.572%0.71968%0.682SS**PPolyproline II helixtrans-53.3141.5-176.700000109.8P672P672-A674 PolarHBondContact O-N 3.11Å
675P55.9Low57.9Low111 Ų111110.8 Ų110.872%0.72166%0.655SS**PPolyproline II helixtrans-56.3143.9173.526.3-34.2000109.1S677P675-S677 PolarHBondContact O-N 2.75Å
676P52.2Low60.3Low83 Ų83109.8 Ų109.854%0.53965%0.646SS.*PPolyproline II helixtrans-53135.2171.924-33.3000108.5S678P676-S678 PolarHBondContact O-N 3.08Å
677S51.7Low62.3Low137 Ų137107.4 Ų107.496%0.95864%0.638SS**SBendtrans-72.120.1-163.946.20000115.1P675P675-S677 PolarHBondContact O-N 2.75Å
678S57.8Low65Low22 Ų22100.6 Ų100.615%0.15461%0.611CS.*  trans-109.8100.3171.457.30000110.1P676 Q680 P694 F695P676-S678 PolarHBondContact O-N 3.08Å; S678-Q680 PolarHBondContact O-N 3.09Å; S678-Q680 VanDerWaalsContact O-N 3.15Å; S678-P694 PolarHBondContact OG-O 3.15Å; S678-F695 WeakPolarHBondContact OG-CA 3.42Å
679S66.4Low67.1Low123 Ų123104.9 Ų104.986%0.8662%0.618SS**  trans-65.8-5.116252.60000112.7L681S679-L681 PolarHBondContact O-N 2.87Å
680Q82.7Confident69.3Low130 Ų130107 Ų10761%0.60761%0.608SS**SBendtrans-73.3119.2175-63.2179.5-6.600110.6S678 F695 Y696S678-Q680 PolarHBondContact O-N 3.09Å; S678-Q680 VanDerWaalsContact O-N 3.15Å; Q680-F695 HydrophobicContact CB-CD1 4.4Å; Q680-Y696 PolarHBondContact O-N 3.32Å; Q680-Y696 VanDerWaalsContact O-N 3.09Å
681L84.9Confident71.1Confident109 Ų109110.5 Ų110.557%0.57162%0.619SS**BIsolated β-bridgetrans-54.3136.3166.2-73.8161.8000110.2S679 R683 Y696 P698S679-L681 PolarHBondContact O-N 2.87Å; L681-R683 PolarHBondContact O-N 3.33Å; L681-Y696 HydrophobicContact CD2-CD1 3.69Å; L681-Y696 HydrophobicContact CD2-CE1 4.21Å; L681-Y696 HydrophobicContact CG-CD1 4.48Å; L681-P698 HydrophobicContact CD2-CG 3.39Å
682C89.6Confident72.9Confident5 Ų5115.3 Ų115.33%0.03463%0.629CS.*PPolyproline II helixtrans-59122.7176.5179.80000111Y684 F685 C693 F695 Y696 H697C682-Y684 PolarHBondContact O-N 3.28Å; C682-F685 HydrophobicContact CB-CB 4.13Å; C682-F685 WeakPolarHBondContact O-CB 3.46Å; C682-F685 PolarHBondContact O-N 2.7Å; C682-C693 VanDerWaalsContact SG-SG 3.65Å; C682-F695 HydrophobicContact CB-CB 3.58Å; C682-Y696 PolarHBondContact N-O 2.87Å; C682-H697 WeakPolarHBondContact CB-CD2 3.39Å; C682-H697 VanDerWaalsContact CB-NE2 3.3Å; C682-H697 WeakPolarHBondContact CB-NE2 3.44Å; C682-H697 PolarHBondContact SG-NE2 2.9Å; C682-H697 VanDerWaalsContact SG-NE2 3.37Å
683R86.5Confident74.5Confident236 Ų236110.6 Ų110.689%0.89160%0.599SS**THydrogen-bonded Turntrans-62.3-13.3-179.4-161.9174-179.797.1-4.2113.9L681L681-R683 PolarHBondContact O-N 3.33Å
684Y86.6Confident76.5Confident176 Ų176108.9 Ų108.969%0.6959%0.587SS**THydrogen-bonded Turntrans-103.2-0175.2-59.1-77.9000113.6C682 A687 C688C682-Y684 PolarHBondContact O-N 3.28Å; Y684-A687 CarbonylContact O-C 3.36Å; Y684-A687 WeakPolarHBondContact O-CA 3.46Å; Y684-A687 PolarHBondContact O-N 3.35Å; Y684-C688 PolarHBondContact O-N 3.03Å
685F84.4Confident78.5Confident58 Ų58108.8 Ų108.825%0.25457%0.571SS.*THydrogen-bonded Turntrans-67.3137.9173.8-177.1-96000110.3C682 H697 P698 Y715C682-F685 HydrophobicContact CB-CB 4.13Å; C682-F685 WeakPolarHBondContact O-CB 3.46Å; C682-F685 PolarHBondContact O-N 2.7Å; F685-H697 HydrophobicContact CD2-CB 4.18Å; F685-H697 AromaticContact CD2-CD2 3.65Å; F685-H697 HydrophobicContact CE2-CB 4.32Å; F685-P698 HydrophobicContact CE1-CG 4.28Å; F685-P698 HydrophobicContact CZ-CB 4.34Å; F685-P698 HydrophobicContact CZ-CG 4.22Å; F685-Y715 HydrophobicContact CE1-CD1 4.33Å; F685-Y715 AromaticContact CE1-CD2 3.53Å; F685-Y715 HydrophobicContact CE1-CD2 3.53Å; F685-Y715 HydrophobicContact CE1-CE1 4.49Å; F685-Y715 AromaticContact CE1-CE2 3.73Å; F685-Y715 HydrophobicContact CE1-CE2 3.73Å; F685-Y715 AromaticContact CE1-CG 3.85Å; F685-Y715 HydrophobicContact CE1-CG 3.85Å; F685-Y715 AromaticContact CZ-CD1 3.77Å; F685-Y715 HydrophobicContact CZ-CD1 3.77Å; F685-Y715 AromaticContact CZ-CD2 3.75Å; F685-Y715 HydrophobicContact CZ-CD2 3.75Å; F685-Y715 HydrophobicContact CZ-CE1 4.17Å; F685-Y715 HydrophobicContact CZ-CE2 4.15Å; F685-Y715 AromaticContact CZ-CG 3.53Å; F685-Y715 HydrophobicContact CZ-CG 3.53Å
686P86.2Confident80Confident83 Ų83108.7 Ų108.754%0.53956%0.557SS.*THydrogen-bonded Turncis-87.1-4.65.737.1-39.8000115.2C688 Y715P686-C688 VanDerWaalsContact C-N 3.3Å; P686-C688 PolarHBondContact O-N 3.27Å; P686-Y715 HydrophobicContact CB-CE1 4.1Å; P686-Y715 WeakPolarHBondContact CB-OH 3.45Å; P686-Y715 WeakPolarHBondContact CG-OH 3.38Å
687A82.4Confident81.6Confident80 Ų80107.8 Ų107.866%0.66155%0.545SS*.SBendtrans-83.26.4-17200000115.1Y684 K689Y684-A687 CarbonylContact O-C 3.36Å; Y684-A687 WeakPolarHBondContact O-CA 3.46Å; Y684-A687 PolarHBondContact O-N 3.35Å; A687-K689 PolarHBondContact O-N 3.05Å
688C88.3Confident83.3Confident28 Ų28102.3 Ų102.319%0.18951%0.507CS..  trans-69.2114.3-174.4-171.40000112Y684 P686 C693 H697Y684-C688 PolarHBondContact O-N 3.03Å; P686-C688 VanDerWaalsContact C-N 3.3Å; P686-C688 PolarHBondContact O-N 3.27Å; C688-C693 VanDerWaalsContact SG-SG 3.69Å; C688-H697 WeakPolarHBondContact CB-NE2 3.28Å
689K85.7Confident84.6Confident204 Ų204108.9 Ų108.989%0.88753%0.533SS*.  trans-90.54.2178.6-59.5-176.4-178.1179.10114.4A687 M691A687-K689 PolarHBondContact O-N 3.05Å; K689-M691 PolarHBondContact O-N 3.42Å
690K87.1Confident85.6Confident145 Ų145107.9 Ų107.963%0.6351%0.514SS*.  trans-79.6114.4176.5-72.1-179.2178.1-73.70109.2C693K690-C693 HydrophobicContact CB-CB 4.27Å
691M79.4Confident85.9Confident192 Ų192101.9 Ų101.995%0.94649%0.487SS*.SBendtrans-62.5-46.8-179.2-59.7-59.8-71.800111.7K689K689-M691 PolarHBondContact O-N 3.42Å
692E81.4Confident86Confident176 Ų176107.5 Ų107.582%0.82250%0.5SS*.SBendtrans-99.3100.5168.2-16460.2-104.400107.8
693C86.1Confident85.8Confident14 Ų14113.1 Ų113.110%0.09552%0.524CS..  trans-113.2121.9-179.1-165.90000109.1C682 C688 K690 F695 H697C682-C693 VanDerWaalsContact SG-SG 3.65Å; C688-C693 VanDerWaalsContact SG-SG 3.69Å; K690-C693 HydrophobicContact CB-CB 4.27Å; C693-F695 PolarHBondContact O-N 3.41Å; C693-H697 VanDerWaalsContact CB-CE1 3.47Å; C693-H697 WeakPolarHBondContact CB-CE1 3.47Å
694P85.4Confident85.6Confident87 Ų87104.3 Ų104.357%0.56550%0.495SS*.SBendtrans-75.414.5-177.433.2-37.7000113.6S678S678-P694 PolarHBondContact OG-O 3.15Å
695F87Confident85.4Confident86 Ų8699.1 Ų99.138%0.37748%0.481SS..SBendtrans-126.2149.1-179.2-64.4-77.5000110.5S678 Q680 C682 C693 H697S678-F695 WeakPolarHBondContact OG-CA 3.42Å; Q680-F695 HydrophobicContact CB-CD1 4.4Å; C682-F695 HydrophobicContact CB-CB 3.58Å; C693-F695 PolarHBondContact O-N 3.41Å; F695-H697 PolarHBondContact O-N 2.7Å
696Y87.7Confident85.2Confident109 Ų109103.3 Ų103.343%0.42750%0.502SS..BIsolated β-bridgetrans-66.8128.8-172.2-178.8-118000113.1Q680 L681 C682 P698Q680-Y696 PolarHBondContact O-N 3.32Å; Q680-Y696 VanDerWaalsContact O-N 3.09Å; L681-Y696 HydrophobicContact CD2-CD1 3.69Å; L681-Y696 HydrophobicContact CD2-CE1 4.21Å; L681-Y696 HydrophobicContact CG-CD1 4.48Å; C682-Y696 PolarHBondContact N-O 2.87Å; Y696-P698 HydrophobicContact CD1-CG 4.16Å; Y696-P698 HydrophobicContact CE1-CB 4.18Å; Y696-P698 HydrophobicContact CE1-CG 3.72Å
697H86.4Confident85.2Confident63 Ų63100.4 Ų100.429%0.29248%0.483SS..  trans-111.8111.1169.5-69.1157.5000109.6C682 F685 C688 C693 F695 K699C682-H697 WeakPolarHBondContact CB-CD2 3.39Å; C682-H697 VanDerWaalsContact CB-NE2 3.3Å; C682-H697 WeakPolarHBondContact CB-NE2 3.44Å; C682-H697 PolarHBondContact SG-NE2 2.9Å; C682-H697 VanDerWaalsContact SG-NE2 3.37Å; F685-H697 HydrophobicContact CD2-CB 4.18Å; F685-H697 AromaticContact CD2-CD2 3.65Å; F685-H697 HydrophobicContact CE2-CB 4.32Å; C688-H697 WeakPolarHBondContact CB-NE2 3.28Å; C693-H697 VanDerWaalsContact CB-CE1 3.47Å; C693-H697 WeakPolarHBondContact CB-CE1 3.47Å; F695-H697 PolarHBondContact O-N 2.7Å; H697-K699 PolarHBondContact O-N 3.24Å
698P87.1Confident85.3Confident23 Ų23103.2 Ų103.215%0.14949%0.492CS..PPolyproline II helixtrans-61.4134.4173.4-20.730.6000111.4L681 F685 Y696L681-P698 HydrophobicContact CD2-CG 3.39Å; F685-P698 HydrophobicContact CE1-CG 4.28Å; F685-P698 HydrophobicContact CZ-CB 4.34Å; F685-P698 HydrophobicContact CZ-CG 4.22Å; Y696-P698 HydrophobicContact CD1-CG 4.16Å; Y696-P698 HydrophobicContact CE1-CB 4.18Å; Y696-P698 HydrophobicContact CE1-CG 3.72Å
699K85.9Confident85.2Confident160 Ų160110.4 Ų110.470%0.69652%0.515SS*.PPolyproline II helixtrans-66.2139177.3-70178.5-180176.80110.1H697 F714 Y715H697-K699 PolarHBondContact O-N 3.24Å; K699-F714 HydrophobicContact CB-CD1 3.94Å; K699-F714 HydrophobicContact CB-CE1 4.23Å; K699-F714 CarbonylContact O-C 3.22Å; K699-F714 WeakPolarHBondContact O-CA 3.3Å; K699-F714 WeakPolarHBondContact O-CB 3.24Å; K699-Y715 PolarHBondContact O-N 2.85Å
700H86.7Confident84.9Confident101 Ų101106.4 Ų106.447%0.46851%0.51SS..BIsolated β-bridgetrans-62.2135.8176.9-169-71.5000111P717H700-P717 WeakPolarHBondContact NE2-CD 3.2Å
701C89.3Confident84.7Confident5 Ų5106 Ų1063%0.03452%0.515CS..PPolyproline II helixtrans-65.6136.2178.1-178.10000111.1F703 N704 F714 Y715 H716C701-F703 PolarHBondContact O-N 3.31Å; C701-F703 VanDerWaalsContact O-N 3.15Å; C701-F703 PolarHBondContact SG-N 3.32Å; C701-F703 VanDerWaalsContact SG-N 3.38Å; C701-N704 PolarHBondContact O-N 3.32Å; C701-N704 VanDerWaalsContact O-N 3.16Å; C701-F714 HydrophobicContact CB-CB 3.65Å; C701-Y715 WeakPolarHBondContact CB-O 3.42Å; C701-Y715 PolarHBondContact N-O 2.92Å; C701-H716 WeakPolarHBondContact CB-CD2 3.22Å; C701-H716 WeakPolarHBondContact CB-NE2 3.41Å; C701-H716 PolarHBondContact SG-NE2 3.16Å
702R87.6Confident85Confident227 Ų22798.3 Ų98.386%0.85748%0.48SS*.THydrogen-bonded Turntrans-56.2-30.2174.3-179.2178.4175.1911.5112.8
703F83.9Confident85.1Confident123 Ų12395.5 Ų95.554%0.53948%0.475SS..THydrogen-bonded Turntrans-98.7-6.6-176.8-58-74.8000113.6C701 Q706 C707C701-F703 PolarHBondContact O-N 3.31Å; C701-F703 VanDerWaalsContact O-N 3.15Å; C701-F703 PolarHBondContact SG-N 3.32Å; C701-F703 VanDerWaalsContact SG-N 3.38Å; F703-Q706 CarbonylContact O-C 3.58Å; F703-Q706 WeakPolarHBondContact O-CA 3.31Å; F703-Q706 VanDerWaalsContact O-CB 3.26Å; F703-Q706 WeakPolarHBondContact O-CB 3.14Å; F703-Q706 PolarHBondContact O-N 3.02Å; F703-C707 HydrophobicContact CB-CB 3.86Å
704N83.3Confident85.1Confident51 Ų5199.7 Ų99.727%0.27349%0.492SS..G310 helixtrans50.7-141.6-179-160.5-15.2000111.3C701 Q706 C707 H716 P717C701-N704 PolarHBondContact O-N 3.32Å; C701-N704 VanDerWaalsContact O-N 3.16Å; N704-Q706 PolarHBondContact O-N 2.9Å; N704-C707 WeakPolarHBondContact O-CB 3.39Å; N704-C707 PolarHBondContact O-N 3.21Å; N704-H716 PolarHBondContact O-CD2 3.29Å; N704-P717 WeakPolarHBondContact OD1-CD 3.31Å; N704-P717 WeakPolarHBondContact OD1-CG 3.36Å
705T82.9Confident85.3Confident66 Ų6698.3 Ų98.341%0.40548%0.475SS..G310 helixtrans-57.7-12.2171.855.10000115C707 I719T705-C707 VanDerWaalsContact C-N 3.3Å; T705-I719 HydrophobicContact CG2-CB 4.4Å; T705-I719 HydrophobicContact CG2-CD1 3.58Å; T705-I719 HydrophobicContact CG2-CG1 3.74Å
706Q78.8Confident85.1Confident146 Ų14697 Ų9768%0.68247%0.471SS*.G310 helixtrans-89.77.2176-43.5-52.810700112.3F703 N704 T708F703-Q706 CarbonylContact O-C 3.58Å; F703-Q706 WeakPolarHBondContact O-CA 3.31Å; F703-Q706 VanDerWaalsContact O-CB 3.26Å; F703-Q706 WeakPolarHBondContact O-CB 3.14Å; F703-Q706 PolarHBondContact O-N 3.02Å; N704-Q706 PolarHBondContact O-N 2.9Å; Q706-T708 PolarHBondContact O-N 3.42Å
707C85.9Confident84.8Confident23 Ų2393.2 Ų93.216%0.15546%0.459CS..  trans-74.8115.2174.4-1610000111F703 N704 T705 R709 H716F703-C707 HydrophobicContact CB-CB 3.86Å; N704-C707 WeakPolarHBondContact O-CB 3.39Å; N704-C707 PolarHBondContact O-N 3.21Å; T705-C707 VanDerWaalsContact C-N 3.3Å; C707-R709 VanDerWaalsContact C-N 3.32Å; C707-H716 WeakPolarHBondContact CB-NE2 3.44Å
708T84.9Confident83.9Confident139 Ų13995.6 Ų95.685%0.85348%0.478SS*.  trans-88.66.8177.552.60000113.8Q706Q706-T708 PolarHBondContact O-N 3.42Å
709R86.1Confident83Confident178 Ų17899.1 Ų99.167%0.67250%0.495SS*.  trans-87.8121.6178.1-63.7-174.967.6108.73109.7C707 C712C707-R709 VanDerWaalsContact C-N 3.32Å; R709-C712 HydrophobicContact CB-CB 4.37Å
710P80.1Confident81.6Confident120 Ų12098.5 Ų98.578%0.77950%0.499SS*.THydrogen-bonded Turntrans-63.9-48.6176.623.7-30.5000111C712P710-C712 PolarHBondContact O-N 3.47Å
711D82.8Confident80.3Confident138 Ų13898.1 Ų98.174%0.73850%0.504SS*.THydrogen-bonded Turntrans-85.247.5-178.5-41.6-71.6000112.4T713D711-T713 PolarHBondContact O-N 3.01Å
712C85.6Confident78.8Confident29 Ų29101.2 Ų101.220%0.19652%0.524CS..  trans-79.7111.1177.5-167.30000110.7R709 P710 F714 H716R709-C712 HydrophobicContact CB-CB 4.37Å; P710-C712 PolarHBondContact O-N 3.47Å; C712-F714 PolarHBondContact O-N 2.76Å; C712-H716 VanDerWaalsContact CB-CE1 3.43Å; C712-H716 WeakPolarHBondContact CB-CE1 3.17Å; C712-H716 PolarHBondContact SG-NE2 3.06Å; C712-H716 VanDerWaalsContact SG-NE2 3.4Å
713T83.6Confident77.6Confident117 Ų11794.1 Ų94.172%0.71851%0.507SS*.  trans-766.4177.354.10000114.3D711D711-T713 PolarHBondContact O-N 3.01Å
714F87.2Confident76.4Confident103 Ų10399.8 Ų99.845%0.45253%0.525SS..SBendtrans-109.1147.2-179.8-63.8-89.9000110.9K699 C701 C712 H716K699-F714 HydrophobicContact CB-CD1 3.94Å; K699-F714 HydrophobicContact CB-CE1 4.23Å; K699-F714 CarbonylContact O-C 3.22Å; K699-F714 WeakPolarHBondContact O-CA 3.3Å; K699-F714 WeakPolarHBondContact O-CB 3.24Å; C701-F714 HydrophobicContact CB-CB 3.65Å; C712-F714 PolarHBondContact O-N 2.76Å; F714-H716 PolarHBondContact O-N 3.04Å
715Y88.3Confident75.5Confident57 Ų57104.3 Ų104.322%0.22454%0.544CS..BIsolated β-bridgetrans-65.6131.9-177.1172.4-116.6000112.8F685 P686 K699 C701 P717F685-Y715 HydrophobicContact CE1-CD1 4.33Å; F685-Y715 AromaticContact CE1-CD2 3.53Å; F685-Y715 HydrophobicContact CE1-CD2 3.53Å; F685-Y715 HydrophobicContact CE1-CE1 4.49Å; F685-Y715 AromaticContact CE1-CE2 3.73Å; F685-Y715 HydrophobicContact CE1-CE2 3.73Å; F685-Y715 AromaticContact CE1-CG 3.85Å; F685-Y715 HydrophobicContact CE1-CG 3.85Å; F685-Y715 AromaticContact CZ-CD1 3.77Å; F685-Y715 HydrophobicContact CZ-CD1 3.77Å; F685-Y715 AromaticContact CZ-CD2 3.75Å; F685-Y715 HydrophobicContact CZ-CD2 3.75Å; F685-Y715 HydrophobicContact CZ-CE1 4.17Å; F685-Y715 HydrophobicContact CZ-CE2 4.15Å; F685-Y715 AromaticContact CZ-CG 3.53Å; F685-Y715 HydrophobicContact CZ-CG 3.53Å; P686-Y715 HydrophobicContact CB-CE1 4.1Å; P686-Y715 WeakPolarHBondContact CB-OH 3.45Å; P686-Y715 WeakPolarHBondContact CG-OH 3.38Å; K699-Y715 PolarHBondContact O-N 2.85Å; C701-Y715 WeakPolarHBondContact CB-O 3.42Å; C701-Y715 PolarHBondContact N-O 2.92Å; Y715-P717 HydrophobicContact CE1-CB 3.87Å; Y715-P717 HydrophobicContact CE1-CG 4.34Å; Y715-P717 VanDerWaalsContact CZ-CA 3.49Å; Y715-P717 WeakPolarHBondContact OH-CA 3.41Å
716H84Confident74.6Confident60 Ų60104 Ų10428%0.27855%0.549SS..  trans-109.4115.1165.3-55.8139.4000108.3C701 N704 C707 C712 F714 T718C701-H716 WeakPolarHBondContact CB-CD2 3.22Å; C701-H716 WeakPolarHBondContact CB-NE2 3.41Å; C701-H716 PolarHBondContact SG-NE2 3.16Å; N704-H716 PolarHBondContact O-CD2 3.29Å; C707-H716 WeakPolarHBondContact CB-NE2 3.44Å; C712-H716 VanDerWaalsContact CB-CE1 3.43Å; C712-H716 WeakPolarHBondContact CB-CE1 3.17Å; C712-H716 PolarHBondContact SG-NE2 3.06Å; C712-H716 VanDerWaalsContact SG-NE2 3.4Å; F714-H716 PolarHBondContact O-N 3.04Å; H716-T718 PolarHBondContact O-N 3.5Å
717P79.8Confident74.3Confident29 Ų29102 Ų10219%0.18854%0.542CS..  trans-61123.4168.125.2-34000110.3H700 N704 Y715 I719H700-P717 WeakPolarHBondContact NE2-CD 3.2Å; N704-P717 WeakPolarHBondContact OD1-CD 3.31Å; N704-P717 WeakPolarHBondContact OD1-CG 3.36Å; Y715-P717 HydrophobicContact CE1-CB 3.87Å; Y715-P717 HydrophobicContact CE1-CG 4.34Å; Y715-P717 VanDerWaalsContact CZ-CA 3.49Å; Y715-P717 WeakPolarHBondContact OH-CA 3.41Å; P717-I719 PolarHBondContact O-N 3.02Å
718T69.4Low73.8Confident113 Ų113108.9 Ų108.969%0.69357%0.569SS**  trans-69.496.4173.548.50000109.1H716 N720H716-T718 PolarHBondContact O-N 3.5Å; T718-N720 VanDerWaalsContact C-N 3.27Å; T718-N720 PolarHBondContact O-N 2.94Å
719I66.9Low72.7Confident97 Ų97114.4 Ų114.450%0.49758%0.575SS.*  trans-72.285.1177.2-58.3-175.6000108.6T705 P717 V721T705-I719 HydrophobicContact CG2-CB 4.4Å; T705-I719 HydrophobicContact CG2-CD1 3.58Å; T705-I719 HydrophobicContact CG2-CG1 3.74Å; P717-I719 PolarHBondContact O-N 3.02Å; I719-V721 HydrophobicContact CG2-CB 3.81Å; I719-V721 HydrophobicContact CG2-CG2 3.43Å; I719-V721 VanDerWaalsContact CG2-CG2 3.43Å; I719-V721 PolarHBondContact O-N 3.01Å
720N56.8Low72Confident147 Ų147113.3 Ų113.379%0.78658%0.58SS**  trans-73.644.2170.2-73.610.7000111.6T718 P722T718-N720 VanDerWaalsContact C-N 3.27Å; T718-N720 PolarHBondContact O-N 2.94Å; N720-P722 WeakPolarHBondContact O-CD 3.35Å
721V58.6Low71.1Confident93 Ų93118.2 Ų118.256%0.56458%0.583SS**PPolyproline II helixtrans-73123.8166167.30000106.9I719 L727I719-V721 HydrophobicContact CG2-CB 3.81Å; I719-V721 HydrophobicContact CG2-CG2 3.43Å; I719-V721 VanDerWaalsContact CG2-CG2 3.43Å; I719-V721 PolarHBondContact O-N 3.01Å; V721-L727 HydrophobicContact CG1-CD1 4.01Å
722P57.8Low70Confident69 Ų69116.9 Ų116.945%0.44858%0.582SS.*PPolyproline II helixtrans-52.5140.5175.3-27.335.7000110.7N720 A726N720-P722 WeakPolarHBondContact O-CD 3.35Å; P722-A726 HydrophobicContact CB-CB 3.91Å
723P63.6Low68.7Low78 Ų78124.3 Ų124.351%0.50661%0.614SS.*PPolyproline II helixtrans-50.8146.3179.7-27.134.2000111.5H725 A726P723-H725 VanDerWaalsContact CB-CE1 3.45Å; P723-H725 WeakPolarHBondContact CB-CE1 3.33Å; P723-H725 PolarHBondContact O-N 3.5Å; P723-A726 WeakPolarHBondContact O-CB 3.47Å; P723-A726 PolarHBondContact O-N 3.07Å
724R58.3Low67.4Low243 Ų243125 Ų12592%0.91762%0.618SS**THydrogen-bonded Turntrans-53.4-20.8-172.2-80.8-164.9-104-138.2-1.5115.3A726R724-A726 VanDerWaalsContact C-N 3.31Å; R724-A726 PolarHBondContact O-N 3.16Å
725H64.6Low65.9Low145 Ų145125.6 Ų125.667%0.67164%0.636SS**THydrogen-bonded Turntrans-70.5-20.117459.1-122.6000114.8P723 K728P723-H725 VanDerWaalsContact CB-CE1 3.45Å; P723-H725 WeakPolarHBondContact CB-CE1 3.33Å; P723-H725 PolarHBondContact O-N 3.5Å; H725-K728 WeakPolarHBondContact O-CE 3.42Å
726A62.9Low64Low61 Ų61135.6 Ų135.650%0.50468%0.684SS.*THydrogen-bonded Turntrans-87.9-23.9178.200000112.8P722 P723 R724 K728P722-A726 HydrophobicContact CB-CB 3.91Å; P723-A726 WeakPolarHBondContact O-CB 3.47Å; P723-A726 PolarHBondContact O-N 3.07Å; R724-A726 VanDerWaalsContact C-N 3.31Å; R724-A726 PolarHBondContact O-N 3.16Å; A726-K728 VanDerWaalsContact C-N 3.27Å; A726-K728 PolarHBondContact O-N 3.3Å
727L73.1Confident63Low103 Ų103139.4 Ų139.454%0.53970%0.704SS.*  trans-85.563.4178.3-70.9164.4000111.2V721V721-L727 HydrophobicContact CG1-CD1 4.01Å
728K74.6Confident62.2Low168 Ų168145.2 Ų145.273%0.7373%0.732SS**  trans-88.9124.5174.3-68-176.4-178.8179.40110.6H725 A726 I730H725-K728 WeakPolarHBondContact O-CE 3.42Å; A726-K728 VanDerWaalsContact C-N 3.27Å; A726-K728 PolarHBondContact O-N 3.3Å; K728-I730 PolarHBondContact O-N 2.84Å
729W62.6Low61.8Low255 Ų255146.9 Ų146.997%0.96673%0.734SS**  trans-71.7115.1170.2-69.684.9000109.8
730I71.5Confident61.5Low155 Ų155149.9 Ų149.980%0.79575%0.748SS**PPolyproline II helixtrans-94121.9169.8-55176.8000106.9K728K728-I730 PolarHBondContact O-N 2.84Å
731R62Low61.8Low222 Ų222150.1 Ų150.184%0.83875%0.745SS**PPolyproline II helixtrans-69.8128.3172.1-166.6-179.6-162.9168.14.3107.8Q733R731-Q733 PolarHBondContact O-N 3.15Å
732P58.8Low62Low111 Ų111153.9 Ų153.972%0.72176%0.757SS**PPolyproline II helixtrans-60.1126.5172.725.3-32.7000108.6T734P732-T734 PolarHBondContact O-N 2.86Å
733Q59.1Low62.3Low184 Ų184159.9 Ų159.986%0.8678%0.779SS**PPolyproline II helixtrans-66.8123.5168.3-69.5-73.519.300107.4R731 S735R731-Q733 PolarHBondContact O-N 3.15Å; Q733-S735 PolarHBondContact O-N 3.43Å
734T55.5Low62.2Low132 Ų132166.2 Ų166.281%0.8180%0.8SS**PPolyproline II helixtrans-70.1116165.744.80000107.5P732P732-T734 PolarHBondContact O-N 2.86Å
735S56.4Low62.5Low116 Ų116159.8 Ų159.881%0.81179%0.791SS**PPolyproline II helixtrans-61.5135.7166.450.40000109.5Q733Q733-S735 PolarHBondContact O-N 3.43Å
736E48.7Very low62.3Low266 Ų266161.2 Ų161.2100%1.24380%0.802SS**  trans-67.90174.2-160.5171126.600111.8

Retrieved 736 of 736 residues in 77.9 ms (Link to these results)