A0A3Q0KPI0_SCHMA Loading...

Kh-domain rna binding protein-related

AlphaFold DB , UniProt , Accession A0A3Q0KPI0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 832 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
1M39.5Very low50.6Low179 Ų179114.8 Ų114.888%0.88260%0.604SS**  0-86.20-65.8-57.5148.700112.4S3 E4M1-S3 PolarHBondContact O-N 3.41Å; M1-E4 WeakPolarHBondContact CA-OE2 3.34Å; M1-E4 PolarHBondContact N-OE2 3.45Å; M1-E4 PolarHBondContact O-N 3.3Å
2C32.6Very low52.7Low116 Ų116105.7 Ų105.778%0.78456%0.556SS**Hα-helixtrans-65.8-32.9-170.1-56.90000114.8A6C2-A6 PolarHBondContact O-N 2.83Å
3S37.3Very low54.8Low91 Ų91107.9 Ų107.964%0.63656%0.559SS**Hα-helixtrans-67.8-40.6-179.5-165.20000113.2M1 A6 L7M1-S3 PolarHBondContact O-N 3.41Å; S3-A6 PolarHBondContact O-N 3.02Å; S3-L7 PolarHBondContact O-N 2.98Å; S3-L7 VanDerWaalsContact O-N 3.17Å
4E45.7Very low57Low115 Ų115109.8 Ų109.854%0.53756%0.563SS.*Hα-helixtrans-65.4-49.2-177.1-68.4142.8127.200111.4M1 A6 L7 E8M1-E4 WeakPolarHBondContact CA-OE2 3.34Å; M1-E4 PolarHBondContact N-OE2 3.45Å; M1-E4 PolarHBondContact O-N 3.3Å; E4-A6 PolarHBondContact O-N 3.17Å; E4-L7 WeakPolarHBondContact O-CA 3.45Å; E4-L7 WeakPolarHBondContact O-CB 3.43Å; E4-L7 PolarHBondContact O-N 3.09Å; E4-E8 PolarHBondContact O-N 2.9Å
5K51.2Low58.9Low154 Ų154103 Ų10367%0.6753%0.528SS*.Hα-helixtrans-56.6-36.6175.8-71.8-168.4173.2-170.20112.6L7 L9K5-L7 VanDerWaalsContact C-N 3.34Å; K5-L9 VanDerWaalsContact O-CB 3.32Å; K5-L9 WeakPolarHBondContact O-CB 3.5Å; K5-L9 PolarHBondContact O-N 3.35Å
6A42.9Very low60.6Low48 Ų4898.7 Ų98.740%0.39751%0.506SS..Hα-helixtrans-69.4-31.4177.500000112.8C2 S3 E4 K10C2-A6 PolarHBondContact O-N 2.83Å; S3-A6 PolarHBondContact O-N 3.02Å; E4-A6 PolarHBondContact O-N 3.17Å; A6-K10 VanDerWaalsContact O-CG 3.28Å; A6-K10 WeakPolarHBondContact O-CG 3.35Å; A6-K10 PolarHBondContact O-N 3.13Å
7L54.8Low62.2Low118 Ų11898.2 Ų98.262%0.61851%0.505SS*.Hα-helixtrans-71.8-46.6173.8-106.7155000111.6S3 E4 K5 L9 K10 N11S3-L7 PolarHBondContact O-N 2.98Å; S3-L7 VanDerWaalsContact O-N 3.17Å; E4-L7 WeakPolarHBondContact O-CA 3.45Å; E4-L7 WeakPolarHBondContact O-CB 3.43Å; E4-L7 PolarHBondContact O-N 3.09Å; K5-L7 VanDerWaalsContact C-N 3.34Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L9 PolarHBondContact O-N 3.34Å; L7-K10 PolarHBondContact O-N 3.15Å; L7-N11 PolarHBondContact O-N 3.38Å
8E58.7Low63.8Low111 Ų11194.9 Ų94.952%0.51949%0.486SS..Hα-helixtrans-59.7-41.7174.8-66.3173.6150.100112.1E4 N11 T12E4-E8 PolarHBondContact O-N 2.9Å; E8-N11 PolarHBondContact O-N 3.33Å; E8-T12 PolarHBondContact O-N 3.07Å; E8-T12 PolarHBondContact O-OG1 3.23Å
9L58.6Low65.2Low91 Ų9189.9 Ų89.948%0.47646%0.46SS..Hα-helixtrans-67.5-36.5178.1-156.379000112.3K5 L7 T12 K13K5-L9 VanDerWaalsContact O-CB 3.32Å; K5-L9 WeakPolarHBondContact O-CB 3.5Å; K5-L9 PolarHBondContact O-N 3.35Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L9 PolarHBondContact O-N 3.34Å; L9-T12 PolarHBondContact O-OG1 3.03Å; L9-K13 WeakPolarHBondContact O-CG 3.21Å; L9-K13 PolarHBondContact O-N 2.99Å
10K61.4Low66.4Low159 Ų15990.6 Ų90.669%0.69146%0.459SS*.Hα-helixtrans-67.4-46.9173.8-77.3174-179.9-177.30111.5A6 L7 T12 K13 H14A6-K10 VanDerWaalsContact O-CG 3.28Å; A6-K10 WeakPolarHBondContact O-CG 3.35Å; A6-K10 PolarHBondContact O-N 3.13Å; L7-K10 PolarHBondContact O-N 3.15Å; K10-T12 PolarHBondContact O-N 3.41Å; K10-K13 PolarHBondContact O-N 3Å; K10-H14 PolarHBondContact O-N 3.35Å
11N74.3Confident67.5Low81 Ų8190.5 Ų90.543%0.43346%0.457SS..Hα-helixtrans-60.9-46.5179.6-166.437000111.4L7 E8 K13 H14 L15L7-N11 PolarHBondContact O-N 3.38Å; E8-N11 PolarHBondContact O-N 3.33Å; N11-K13 VanDerWaalsContact C-N 3.33Å; N11-K13 PolarHBondContact O-N 2.7Å; N11-H14 PolarHBondContact O-N 3.36Å; N11-L15 VanDerWaalsContact O-CB 3.31Å; N11-L15 WeakPolarHBondContact O-CB 3.25Å; N11-L15 PolarHBondContact O-N 3.45Å
12T75.1Confident70Confident5 Ų582.2 Ų82.23%0.03142%0.417CS..Hα-helixtrans-65.9-28.218042.50000114.9E8 L9 K10 L16 L54 T57 K188E8-T12 PolarHBondContact O-N 3.07Å; E8-T12 PolarHBondContact O-OG1 3.23Å; L9-T12 PolarHBondContact O-OG1 3.03Å; K10-T12 PolarHBondContact O-N 3.41Å; T12-L16 PolarHBondContact O-N 3.4Å; T12-L54 HydrophobicContact CG2-CD2 4.47Å; T12-T57 HydrophobicContact CG2-CG2 3.65Å; T12-K188 HydrophobicContact CG2-CD 4.28Å; T12-K188 PolarHBondContact OG1-NZ 3.47Å
13K80.8Confident72.7Confident135 Ų13577 Ų7759%0.58738%0.381SS*.Hα-helixtrans-68.4-51.9171.4-74.8-176.4178.8-169.60111.3L9 K10 N11 L15 L16 D17L9-K13 WeakPolarHBondContact O-CG 3.21Å; L9-K13 PolarHBondContact O-N 2.99Å; K10-K13 PolarHBondContact O-N 3Å; N11-K13 VanDerWaalsContact C-N 3.33Å; N11-K13 PolarHBondContact O-N 2.7Å; K13-L15 VanDerWaalsContact C-N 3.25Å; K13-L15 PolarHBondContact O-N 3.16Å; K13-L16 PolarHBondContact O-N 3.46Å; K13-D17 PolarHBondContact O-N 3.22Å
14H84.8Confident75.1Confident134 Ų13477.1 Ų77.162%0.6237%0.372SS*.Hα-helixtrans-56.9-39.5176.9179.7-95.3000112.3K10 N11 D17 Y18K10-H14 PolarHBondContact O-N 3.35Å; N11-H14 PolarHBondContact O-N 3.36Å; H14-D17 PolarHBondContact O-N 2.97Å; H14-Y18 WeakPolarHBondContact O-CB 3.34Å; H14-Y18 PolarHBondContact O-N 2.93Å
15L85.2Confident77.1Confident8 Ų871.9 Ų71.94%0.04235%0.348CS..Hα-helixtrans-65-36.4176.6-169.664.5000112.9N11 K13 L19 V50 E53 L54N11-L15 VanDerWaalsContact O-CB 3.31Å; N11-L15 WeakPolarHBondContact O-CB 3.25Å; N11-L15 PolarHBondContact O-N 3.45Å; K13-L15 VanDerWaalsContact C-N 3.25Å; K13-L15 PolarHBondContact O-N 3.16Å; L15-L19 WeakPolarHBondContact O-CB 3.39Å; L15-L19 PolarHBondContact O-N 2.94Å; L15-V50 HydrophobicContact CD1-CB 4.45Å; L15-V50 HydrophobicContact CD1-CG1 3.74Å; L15-V50 HydrophobicContact CD1-CG2 4.37Å; L15-V50 HydrophobicContact CG-CG1 4.03Å; L15-E53 HydrophobicContact CD1-CB 4.47Å; L15-E53 HydrophobicContact CD1-CG 4.35Å; L15-E53 HydrophobicContact CD2-CB 3.86Å; L15-E53 HydrophobicContact CD2-CG 3.65Å; L15-L54 HydrophobicContact CB-CD2 4.46Å; L15-L54 HydrophobicContact CD2-CD2 3.76Å; L15-L54 HydrophobicContact CD2-CG 3.72Å; L15-L54 HydrophobicContact CG-CD2 4.17Å; L15-L54 HydrophobicContact CG-CG 4.09Å
16L86.3Confident78.8Confident34 Ų3468.6 Ų68.618%0.17833%0.331CS..Hα-helixtrans-72.7-41.5175.7-171.569.1000111.9T12 K13 Y18 L19 K20 L54 M192 M195T12-L16 PolarHBondContact O-N 3.4Å; K13-L16 PolarHBondContact O-N 3.46Å; L16-Y18 VanDerWaalsContact C-N 3.34Å; L16-L19 PolarHBondContact O-N 3.03Å; L16-K20 WeakPolarHBondContact O-CB 3.22Å; L16-K20 PolarHBondContact O-N 3.12Å; L16-L54 HydrophobicContact CD1-CD1 4.48Å; L16-M192 HydrophobicContact CD1-CB 3.95Å; L16-M195 HydrophobicContact CD1-CE 3.57Å; L16-M195 HydrophobicContact CD1-SD 4.37Å; L16-M195 HydrophobicContact CG-CE 4.06Å; L16-M195 HydrophobicContact CG-SD 4.37Å
17D88.2Confident80.8Confident90 Ų9068.1 Ų68.148%0.48132%0.321SS..Hα-helixtrans-64.6-38.1173.7-76.4-50.3000111.8K13 H14 K20 E21K13-D17 PolarHBondContact O-N 3.22Å; H14-D17 PolarHBondContact O-N 2.97Å; D17-K20 VanDerWaalsContact O-CB 3.29Å; D17-K20 WeakPolarHBondContact O-CB 3.23Å; D17-K20 PolarHBondContact O-N 2.93Å; D17-K20 IonicContact OD1-NZ 3.55Å; D17-E21 PolarHBondContact O-N 3.18Å
18Y90.5Very high82.2Confident40 Ų4066.6 Ų66.616%0.15731%0.31CS..Hα-helixtrans-63.3-43.7172-177.5-116000112H14 L16 K20 E21 L22 V50H14-Y18 WeakPolarHBondContact O-CB 3.34Å; H14-Y18 PolarHBondContact O-N 2.93Å; L16-Y18 VanDerWaalsContact C-N 3.34Å; Y18-K20 VanDerWaalsContact C-N 3.31Å; Y18-K20 PolarHBondContact O-N 3.3Å; Y18-E21 WeakPolarHBondContact O-CB 3.36Å; Y18-E21 PolarHBondContact O-N 3.39Å; Y18-E21 VanDerWaalsContact O-N 3.14Å; Y18-L22 HydrophobicContact CD1-CD1 4.11Å; Y18-L22 HydrophobicContact CD1-CG 4.44Å; Y18-L22 HydrophobicContact CE1-CD1 3.71Å; Y18-L22 HydrophobicContact CE1-CD2 4.24Å; Y18-L22 HydrophobicContact CE1-CG 4.1Å; Y18-L22 HydrophobicContact CE2-CD2 4.37Å; Y18-L22 PolarHBondContact O-N 2.99Å; Y18-V50 HydrophobicContact CD1-CG2 3.77Å; Y18-V50 HydrophobicContact CE1-CG2 3.75Å
19L90.1Very high83.4Confident0 Ų061.9 Ų61.90%029%0.288CS..Hα-helixtrans-62-37.7176.7-174.354.2000112.8L15 L16 E21 L22 F23 I47 V50 Q51 L54 M192 M195L15-L19 WeakPolarHBondContact O-CB 3.39Å; L15-L19 PolarHBondContact O-N 2.94Å; L16-L19 PolarHBondContact O-N 3.03Å; L19-E21 VanDerWaalsContact C-N 3.31Å; L19-E21 PolarHBondContact O-N 2.92Å; L19-L22 HydrophobicContact CD1-CD1 4.37Å; L19-L22 PolarHBondContact O-N 3.48Å; L19-F23 HydrophobicContact CD1-CD2 4.32Å; L19-F23 HydrophobicContact CD1-CE1 4.36Å; L19-F23 HydrophobicContact CD1-CE2 3.82Å; L19-F23 HydrophobicContact CD1-CZ 3.83Å; L19-F23 HydrophobicContact CD2-CE2 3.96Å; L19-F23 HydrophobicContact CD2-CZ 4.29Å; L19-F23 HydrophobicContact CG-CD2 4.03Å; L19-F23 HydrophobicContact CG-CE2 3.51Å; L19-F23 HydrophobicContact CG-CZ 3.99Å; L19-F23 VanDerWaalsContact O-CD2 3.28Å; L19-F23 WeakPolarHBondContact O-CD2 3.35Å; L19-F23 PolarHBondContact O-N 3.27Å; L19-I47 HydrophobicContact CD1-CG1 4.4Å; L19-I47 HydrophobicContact CD1-CG2 4.21Å; L19-V50 HydrophobicContact CB-CG1 3.69Å; L19-V50 HydrophobicContact CD1-CB 4.28Å; L19-V50 HydrophobicContact CD1-CG1 3.9Å; L19-V50 HydrophobicContact CD2-CG1 4.17Å; L19-V50 HydrophobicContact CG-CG1 4.11Å; L19-Q51 HydrophobicContact CD2-CG 4.22Å; L19-L54 HydrophobicContact CD2-CD1 3.7Å; L19-M192 HydrophobicContact CD2-CG 3.57Å; L19-M192 HydrophobicContact CD2-SD 3.66Å; L19-M195 HydrophobicContact CB-CE 4.23Å; L19-M195 HydrophobicContact CD2-CE 4.45Å; L19-M195 HydrophobicContact CG-CE 4.21Å
20K89.6Confident84.4Confident102 Ų10260.6 Ų60.644%0.44328%0.281SS..Hα-helixtrans-56.9-43.8172.7-171.7-176.5177.8-177.20111.3L16 D17 Y18 F23 M24 M195 I199L16-K20 WeakPolarHBondContact O-CB 3.22Å; L16-K20 PolarHBondContact O-N 3.12Å; D17-K20 VanDerWaalsContact O-CB 3.29Å; D17-K20 WeakPolarHBondContact O-CB 3.23Å; D17-K20 PolarHBondContact O-N 2.93Å; D17-K20 IonicContact OD1-NZ 3.55Å; Y18-K20 VanDerWaalsContact C-N 3.31Å; Y18-K20 PolarHBondContact O-N 3.3Å; K20-F23 PolarHBondContact O-N 2.66Å; K20-M24 VanDerWaalsContact O-CG 3.31Å; K20-M24 WeakPolarHBondContact O-CG 3.41Å; K20-M24 PolarHBondContact O-N 3.18Å; K20-M195 HydrophobicContact CB-CE 3.98Å; K20-M195 HydrophobicContact CB-SD 3.55Å; K20-M195 VanDerWaalsContact CB-SD 3.55Å; K20-M195 HydrophobicContact CD-SD 4.16Å; K20-M195 HydrophobicContact CG-SD 3.73Å; K20-I199 HydrophobicContact CG-CD1 4.28Å
21E89.9Confident85.2Confident89 Ų8956 Ų5642%0.41627%0.273SS..Hα-helixtrans-66.8-41175.4-64.4-170.8139.900112.4D17 Y18 L19 F23 M24 D25 R736D17-E21 PolarHBondContact O-N 3.18Å; Y18-E21 WeakPolarHBondContact O-CB 3.36Å; Y18-E21 PolarHBondContact O-N 3.39Å; Y18-E21 VanDerWaalsContact O-N 3.14Å; L19-E21 VanDerWaalsContact C-N 3.31Å; L19-E21 PolarHBondContact O-N 2.92Å; E21-F23 VanDerWaalsContact C-N 3.34Å; E21-F23 PolarHBondContact O-N 3.48Å; E21-M24 CarbonylContact O-C 3.53Å; E21-M24 WeakPolarHBondContact O-CB 3.16Å; E21-M24 PolarHBondContact O-N 3.17Å; E21-M24 VanDerWaalsContact O-N 3.11Å; E21-D25 PolarHBondContact O-N 3.08Å; E21-R736 IonicContact OE1-NH2 2.74Å; E21-R736 IonicContact OE2-CZ 3.17Å; E21-R736 IonicContact OE2-NH1 3.9Å; E21-R736 PolarHBondContact OE2-NH1 3.1Å; E21-R736 IonicContact OE2-NH2 2.68Å; E21-R736 PolarHBondContact OE2-NH2 2.78Å
22L91.3Very high85.3Confident6 Ų653.7 Ų53.73%0.03126%0.262CS..Hα-helixtrans-60.7-41.1175.5-63.9178.8000112.2Y18 L19 D25 R26 L43 E46 I47 V50Y18-L22 HydrophobicContact CD1-CD1 4.11Å; Y18-L22 HydrophobicContact CD1-CG 4.44Å; Y18-L22 HydrophobicContact CE1-CD1 3.71Å; Y18-L22 HydrophobicContact CE1-CD2 4.24Å; Y18-L22 HydrophobicContact CE1-CG 4.1Å; Y18-L22 HydrophobicContact CE2-CD2 4.37Å; Y18-L22 PolarHBondContact O-N 2.99Å; L19-L22 HydrophobicContact CD1-CD1 4.37Å; L19-L22 PolarHBondContact O-N 3.48Å; L22-D25 PolarHBondContact O-N 3.36Å; L22-R26 WeakPolarHBondContact O-CB 3.43Å; L22-R26 PolarHBondContact O-N 3.08Å; L22-L43 HydrophobicContact CB-CD1 4.06Å; L22-L43 HydrophobicContact CD2-CD1 3.66Å; L22-L43 HydrophobicContact CG-CD1 4.4Å; L22-E46 HydrophobicContact CD1-CG 4Å; L22-E46 HydrophobicContact CD2-CG 4.34Å; L22-I47 HydrophobicContact CB-CD1 4.29Å; L22-I47 HydrophobicContact CB-CG1 3.76Å; L22-I47 HydrophobicContact CD1-CG1 4.06Å; L22-V50 HydrophobicContact CD1-CB 4.41Å; L22-V50 HydrophobicContact CD1-CG2 3.93Å
23F89.3Confident85.4Confident6 Ų658.6 Ų58.63%0.02629%0.294CS..Hα-helixtrans-65.7-37.1173.3-69-46.9000112.4L19 K20 E21 R26 M27 I47 M195 E196 I199L19-F23 HydrophobicContact CD1-CD2 4.32Å; L19-F23 HydrophobicContact CD1-CE1 4.36Å; L19-F23 HydrophobicContact CD1-CE2 3.82Å; L19-F23 HydrophobicContact CD1-CZ 3.83Å; L19-F23 HydrophobicContact CD2-CE2 3.96Å; L19-F23 HydrophobicContact CD2-CZ 4.29Å; L19-F23 HydrophobicContact CG-CD2 4.03Å; L19-F23 HydrophobicContact CG-CE2 3.51Å; L19-F23 HydrophobicContact CG-CZ 3.99Å; L19-F23 VanDerWaalsContact O-CD2 3.28Å; L19-F23 WeakPolarHBondContact O-CD2 3.35Å; L19-F23 PolarHBondContact O-N 3.27Å; K20-F23 PolarHBondContact O-N 2.66Å; E21-F23 VanDerWaalsContact C-N 3.34Å; E21-F23 PolarHBondContact O-N 3.48Å; F23-R26 PolarHBondContact O-N 3.34Å; F23-M27 WeakPolarHBondContact O-CB 2.97Å; F23-M27 WeakPolarHBondContact O-CG 3.5Å; F23-M27 PolarHBondContact O-N 2.84Å; F23-I47 HydrophobicContact CD1-CD1 4.13Å; F23-I47 HydrophobicContact CE1-CD1 4.32Å; F23-I47 HydrophobicContact CE1-CG2 3.9Å; F23-I47 HydrophobicContact CZ-CG2 4.4Å; F23-M195 HydrophobicContact CD2-CE 4.15Å; F23-M195 HydrophobicContact CE2-CE 4.13Å; F23-E196 HydrophobicContact CD1-CG 4.19Å; F23-E196 HydrophobicContact CD2-CB 4.25Å; F23-E196 HydrophobicContact CE1-CB 4.1Å; F23-E196 VanDerWaalsContact CE1-CD 3.43Å; F23-E196 HydrophobicContact CE1-CG 3.62Å; F23-E196 WeakPolarHBondContact CE1-OE1 3.29Å; F23-E196 HydrophobicContact CE2-CB 3.62Å; F23-E196 HydrophobicContact CE2-CG 4.11Å; F23-E196 HydrophobicContact CZ-CB 3.54Å; F23-E196 VanDerWaalsContact CZ-CD 3.46Å; F23-E196 HydrophobicContact CZ-CG 3.58Å; F23-I199 HydrophobicContact CB-CB 4.49Å; F23-I199 HydrophobicContact CB-CD1 3.68Å; F23-I199 HydrophobicContact CB-CG2 4.06Å; F23-I199 HydrophobicContact CD2-CD1 4.24Å; F23-I199 HydrophobicContact CG-CD1 4.42Å
24M88.5Confident85.1Confident94 Ų9455 Ų5546%0.46330%0.295SS..Hα-helixtrans-68.4-33.7174.7-72.2-63.7-63.900113K20 E21 M27 K28 I199K20-M24 VanDerWaalsContact O-CG 3.31Å; K20-M24 WeakPolarHBondContact O-CG 3.41Å; K20-M24 PolarHBondContact O-N 3.18Å; E21-M24 CarbonylContact O-C 3.53Å; E21-M24 WeakPolarHBondContact O-CB 3.16Å; E21-M24 PolarHBondContact O-N 3.17Å; E21-M24 VanDerWaalsContact O-N 3.11Å; M24-M27 WeakPolarHBondContact O-CB 3.41Å; M24-K28 WeakPolarHBondContact O-CE 3.19Å; M24-K28 WeakPolarHBondContact O-CG 3.25Å; M24-K28 PolarHBondContact O-N 3.25Å; M24-I199 HydrophobicContact CG-CD1 4.45Å; M24-I199 HydrophobicContact SD-CG1 4.42Å; M24-I199 HydrophobicContact SD-CG2 4.01Å
25D88.2Confident84.8Confident4 Ų453.9 Ų53.92%0.02129%0.293CS..Hα-helixtrans-74-37.4172.7-80.5-13.7000111.6E21 L22 M27 K28 L29 L43 V733E21-D25 PolarHBondContact O-N 3.08Å; L22-D25 PolarHBondContact O-N 3.36Å; D25-M27 VanDerWaalsContact C-N 3.27Å; D25-M27 PolarHBondContact O-N 2.85Å; D25-K28 WeakPolarHBondContact O-CB 3.35Å; D25-K28 PolarHBondContact O-N 3.38Å; D25-K28 VanDerWaalsContact O-N 3.08Å; D25-K28 WeakPolarHBondContact OD1-CE 3.44Å; D25-K28 IonicContact OD1-NZ 2.67Å; D25-K28 PolarHBondContact OD1-NZ 3.37Å; D25-L29 PolarHBondContact O-N 3.49Å; D25-L29 VanDerWaalsContact O-N 3.08Å; D25-L43 HydrophobicContact CB-CD2 4.42Å; D25-V733 HydrophobicContact CB-CG2 3.89Å; D25-V733 VanDerWaalsContact OD2-CG2 3.32Å; D25-V733 WeakPolarHBondContact OD2-CG2 3.49Å
26R86.9Confident84.7Confident85 Ų8556 Ų5632%0.32130%0.301SS..Hα-helixtrans-59.9-41.5172.3-171.6-180-176.3-171.82.2110.9L22 F23 K28 L29 L30 L43 I47 E196L22-R26 WeakPolarHBondContact O-CB 3.43Å; L22-R26 PolarHBondContact O-N 3.08Å; F23-R26 PolarHBondContact O-N 3.34Å; R26-K28 VanDerWaalsContact C-N 3.28Å; R26-K28 PolarHBondContact O-N 3.02Å; R26-L29 PolarHBondContact O-N 2.92Å; R26-L30 HydrophobicContact CG-CD1 4.32Å; R26-L30 WeakPolarHBondContact O-CG 3.49Å; R26-L30 PolarHBondContact O-N 3.33Å; R26-L43 VanDerWaalsContact CA-CD2 3.49Å; R26-L43 HydrophobicContact CB-CD2 3.71Å; R26-L43 HydrophobicContact CB-CG 4.47Å; R26-L43 HydrophobicContact CG-CD2 4.36Å; R26-I47 HydrophobicContact CB-CD1 4.35Å; R26-E196 IonicContact NH1-OE1 3.61Å
27M84Confident84.7Confident38 Ų3859.9 Ų59.919%0.18732%0.32CS..Hα-helixtrans-58.6-35.1174.2-91.9-54.8-51.200113.9F23 M24 D25 I199 A203F23-M27 WeakPolarHBondContact O-CB 2.97Å; F23-M27 WeakPolarHBondContact O-CG 3.5Å; F23-M27 PolarHBondContact O-N 2.84Å; M24-M27 WeakPolarHBondContact O-CB 3.41Å; D25-M27 VanDerWaalsContact C-N 3.27Å; D25-M27 PolarHBondContact O-N 2.85Å; M27-I199 HydrophobicContact CG-CG2 3.59Å; M27-A203 HydrophobicContact CE-CB 3.33Å; M27-A203 HydrophobicContact SD-CB 3.41Å; M27-A203 WeakPolarHBondContact SD-CB 3.42Å
28K83.7Confident84.8Confident87 Ų8762.5 Ų62.538%0.37833%0.33SS..Hα-helixtrans-73.5-42.5175.9-62.9163.2-157.9168.20111.3M24 D25 R26 L30 A31 T729M24-K28 WeakPolarHBondContact O-CE 3.19Å; M24-K28 WeakPolarHBondContact O-CG 3.25Å; M24-K28 PolarHBondContact O-N 3.25Å; D25-K28 WeakPolarHBondContact O-CB 3.35Å; D25-K28 PolarHBondContact O-N 3.38Å; D25-K28 VanDerWaalsContact O-N 3.08Å; D25-K28 WeakPolarHBondContact OD1-CE 3.44Å; D25-K28 IonicContact OD1-NZ 2.67Å; D25-K28 PolarHBondContact OD1-NZ 3.37Å; R26-K28 VanDerWaalsContact C-N 3.28Å; R26-K28 PolarHBondContact O-N 3.02Å; K28-L30 PolarHBondContact O-N 2.83Å; K28-A31 WeakPolarHBondContact O-CB 3.33Å; K28-A31 PolarHBondContact O-N 2.82Å; K28-A31 VanDerWaalsContact O-N 3.17Å; K28-T729 HydrophobicContact CB-CG2 3.95Å; K28-T729 HydrophobicContact CD-CG2 3.64Å; K28-T729 WeakPolarHBondContact CD-OG1 3.16Å; K28-T729 HydrophobicContact CG-CG2 4.45Å
29L83.9Confident84.7Confident11 Ų1162 Ų626%0.05833%0.33CS..Hα-helixtrans-64.6-37.2178.4-65.7179.9000112.5D25 R26 A31 T32 Y36 I39 L43D25-L29 PolarHBondContact O-N 3.49Å; D25-L29 VanDerWaalsContact O-N 3.08Å; R26-L29 PolarHBondContact O-N 2.92Å; L29-A31 PolarHBondContact O-N 2.87Å; L29-T32 CarbonylContact O-C 3.58Å; L29-T32 PolarHBondContact O-N 3.43Å; L29-T32 PolarHBondContact O-OG1 3.12Å; L29-Y36 HydrophobicContact CD2-CD2 3.91Å; L29-Y36 HydrophobicContact CD2-CG 4.26Å; L29-I39 HydrophobicContact CD1-CB 4.39Å; L29-I39 HydrophobicContact CD1-CG2 3.95Å; L29-L43 HydrophobicContact CD1-CD2 3.77Å
30L80.1Confident84.6Confident65 Ų6565.9 Ų65.934%0.3435%0.348SS..THydrogen-bonded Turntrans-62.8-18.6175.1-73171.7000113.7R26 K28 T32R26-L30 HydrophobicContact CG-CD1 4.32Å; R26-L30 WeakPolarHBondContact O-CG 3.49Å; R26-L30 PolarHBondContact O-N 3.33Å; K28-L30 PolarHBondContact O-N 2.83Å; L30-T32 VanDerWaalsContact C-N 3.29Å
31A77.5Confident84.5Confident63 Ų6367.4 Ų67.452%0.52135%0.354SS..THydrogen-bonded Turntrans-79.5-9.1172.300000113.5K28 L29K28-A31 WeakPolarHBondContact O-CB 3.33Å; K28-A31 PolarHBondContact O-N 2.82Å; K28-A31 VanDerWaalsContact O-N 3.17Å; L29-A31 PolarHBondContact O-N 2.87Å
32T77.9Confident84.6Confident32 Ų3266.2 Ų66.220%0.19635%0.35CS..SBendtrans-133.866.5176.557.30000110.9L29 L30 I726L29-T32 CarbonylContact O-C 3.58Å; L29-T32 PolarHBondContact O-N 3.43Å; L29-T32 PolarHBondContact O-OG1 3.12Å; L30-T32 VanDerWaalsContact C-N 3.29Å; T32-I726 HydrophobicContact CG2-CD1 3.75Å; T32-I726 HydrophobicContact CG2-CG1 4.32Å
33P77.8Confident84.6Confident108 Ų10866.2 Ų66.270%0.70135%0.35SS*.THydrogen-bonded Turntrans-60.1148.4-177.926-35.4000112.2L35P33-L35 PolarHBondContact O-N 2.69Å; P33-L35 VanDerWaalsContact O-N 3.12Å
34G73.8Confident84.6Confident60 Ų6067.1 Ų67.162%0.61936%0.361SS*.THydrogen-bonded Turntrans79-24.9175.900000116.1I37G34-I37 WeakPolarHBondContact O-CG1 3.43Å
35L79Confident84.6Confident110 Ų11067 Ų6758%0.57636%0.359SS*.THydrogen-bonded Turntrans-77.3-24.5-174.9-171.156.5000114P33P33-L35 PolarHBondContact O-N 2.69Å; P33-L35 VanDerWaalsContact O-N 3.12Å
36Y82.8Confident84.6Confident53 Ų5367.5 Ų67.521%0.20836%0.362CS..THydrogen-bonded Turntrans-130.638.7-170.2-60.1-59.3000114.4L29 H38 I39 E40 I726 I730L29-Y36 HydrophobicContact CD2-CD2 3.91Å; L29-Y36 HydrophobicContact CD2-CG 4.26Å; Y36-H38 VanDerWaalsContact C-N 3.28Å; Y36-H38 PolarHBondContact O-N 3.41Å; Y36-H38 VanDerWaalsContact O-N 3.12Å; Y36-I39 HydrophobicContact CD1-CD1 3.74Å; Y36-I39 HydrophobicContact CG-CD1 4.14Å; Y36-I39 WeakPolarHBondContact O-CA 3.49Å; Y36-I39 PolarHBondContact O-N 3.32Å; Y36-E40 PolarHBondContact O-N 3.27Å; Y36-I726 HydrophobicContact CE2-CG2 3.61Å; Y36-I726 WeakPolarHBondContact OH-CG2 3.29Å; Y36-I730 HydrophobicContact CE1-CD1 3.63Å; Y36-I730 HydrophobicContact CE1-CG1 4.28Å; Y36-I730 HydrophobicContact CE2-CD1 4.43Å
37I86.8Confident84.8Confident114 Ų11463.7 Ų63.759%0.58535%0.348SS*.Hα-helixtrans-46-47.1-175.3-52.8175000112.8G34 K41G34-I37 WeakPolarHBondContact O-CG1 3.43Å; I37-K41 PolarHBondContact O-N 2.9Å
38H89.5Confident85Confident146 Ų14664.3 Ų64.368%0.67635%0.351SS*.Hα-helixtrans-70-32.9179.3-59.4-56.6000113.6Y36 L42Y36-H38 VanDerWaalsContact C-N 3.28Å; Y36-H38 PolarHBondContact O-N 3.41Å; Y36-H38 VanDerWaalsContact O-N 3.12Å; H38-L42 WeakPolarHBondContact O-CB 3.38Å; H38-L42 VanDerWaalsContact O-CG 3.26Å; H38-L42 WeakPolarHBondContact O-CG 3.47Å; H38-L42 PolarHBondContact O-N 2.98Å
39I88.8Confident85.2Confident30 Ų3064.2 Ų64.215%0.15435%0.348CS..Hα-helixtrans-73.8-40.4177.3-47.5-175.2000109.7L29 Y36 K41 L42 L43 I730 V733L29-I39 HydrophobicContact CD1-CB 4.39Å; L29-I39 HydrophobicContact CD1-CG2 3.95Å; Y36-I39 HydrophobicContact CD1-CD1 3.74Å; Y36-I39 HydrophobicContact CG-CD1 4.14Å; Y36-I39 WeakPolarHBondContact O-CA 3.49Å; Y36-I39 PolarHBondContact O-N 3.32Å; I39-K41 VanDerWaalsContact C-N 3.33Å; I39-K41 PolarHBondContact O-N 2.94Å; I39-L42 PolarHBondContact O-N 3.32Å; I39-L43 WeakPolarHBondContact O-CB 3.33Å; I39-L43 PolarHBondContact O-N 3.28Å; I39-I730 HydrophobicContact CD1-CG2 4.46Å; I39-V733 HydrophobicContact CG2-CB 4.4Å; I39-V733 HydrophobicContact CG2-CG1 3.53Å
40E86.6Confident85.3Confident81 Ų8163.7 Ų63.738%0.37935%0.346SS..Hα-helixtrans-60-43173.2-175174.6-171.700111.4Y36 L43 G44Y36-E40 PolarHBondContact O-N 3.27Å; E40-L43 PolarHBondContact O-N 3Å; E40-G44 PolarHBondContact O-N 3.41Å
41K89.4Confident85.6Confident134 Ų13460.8 Ų60.858%0.58333%0.33SS*.Hα-helixtrans-61.2-51.2174.1-169.6179-172-91.90112.2I37 I39 L43 G44 E45I37-K41 PolarHBondContact O-N 2.9Å; I39-K41 VanDerWaalsContact C-N 3.33Å; I39-K41 PolarHBondContact O-N 2.94Å; K41-L43 VanDerWaalsContact C-N 3.28Å; K41-L43 PolarHBondContact O-N 3.42Å; K41-G44 PolarHBondContact O-N 2.67Å; K41-G44 VanDerWaalsContact O-N 3.17Å; K41-E45 WeakPolarHBondContact CE-OE1 3.47Å; K41-E45 IonicContact NZ-OE1 2.8Å; K41-E45 PolarHBondContact NZ-OE1 3.02Å; K41-E45 WeakPolarHBondContact O-CG 3.22Å; K41-E45 PolarHBondContact O-N 2.84Å
42L90.9Very high85.8Confident64 Ų6459 Ų5934%0.33532%0.315SS..Hα-helixtrans-62.1-35.8179.4-73.2167.5000112.4H38 I39 E46 I737H38-L42 WeakPolarHBondContact O-CB 3.38Å; H38-L42 VanDerWaalsContact O-CG 3.26Å; H38-L42 WeakPolarHBondContact O-CG 3.47Å; H38-L42 PolarHBondContact O-N 2.98Å; I39-L42 PolarHBondContact O-N 3.32Å; L42-E46 WeakPolarHBondContact O-CB 3.27Å; L42-E46 PolarHBondContact O-N 3.38Å; L42-I737 HydrophobicContact CB-CD1 3.98Å; L42-I737 HydrophobicContact CD1-CD1 4.23Å
43L90.6Very high86Confident6 Ų660.3 Ų60.33%0.03132%0.318CS..Hα-helixtrans-70.7-37.8175.2-177.858.8000111.9L22 D25 R26 L29 I39 E40 K41 E46 I47L22-L43 HydrophobicContact CB-CD1 4.06Å; L22-L43 HydrophobicContact CD2-CD1 3.66Å; L22-L43 HydrophobicContact CG-CD1 4.4Å; D25-L43 HydrophobicContact CB-CD2 4.42Å; R26-L43 VanDerWaalsContact CA-CD2 3.49Å; R26-L43 HydrophobicContact CB-CD2 3.71Å; R26-L43 HydrophobicContact CB-CG 4.47Å; R26-L43 HydrophobicContact CG-CD2 4.36Å; L29-L43 HydrophobicContact CD1-CD2 3.77Å; I39-L43 WeakPolarHBondContact O-CB 3.33Å; I39-L43 PolarHBondContact O-N 3.28Å; E40-L43 PolarHBondContact O-N 3Å; K41-L43 VanDerWaalsContact C-N 3.28Å; K41-L43 PolarHBondContact O-N 3.42Å; L43-E46 PolarHBondContact O-N 3.34Å; L43-I47 HydrophobicContact CD1-CD1 4.26Å; L43-I47 HydrophobicContact CD1-CG1 4.4Å; L43-I47 HydrophobicContact CG-CD1 4.06Å; L43-I47 WeakPolarHBondContact O-CB 3.37Å; L43-I47 VanDerWaalsContact O-CG1 3.25Å; L43-I47 WeakPolarHBondContact O-CG1 3.42Å; L43-I47 PolarHBondContact O-N 2.9Å
44G89.4Confident86.2Confident24 Ų2455.2 Ų55.225%0.24729%0.285CS..Hα-helixtrans-62.7-43.7171.600000112.6E40 K41 I47 L48E40-G44 PolarHBondContact O-N 3.41Å; K41-G44 PolarHBondContact O-N 2.67Å; K41-G44 VanDerWaalsContact O-N 3.17Å; G44-I47 PolarHBondContact O-N 3.36Å; G44-L48 WeakPolarHBondContact O-CB 3.48Å; G44-L48 VanDerWaalsContact O-CG 3.32Å; G44-L48 WeakPolarHBondContact O-CG 3.32Å; G44-L48 PolarHBondContact O-N 3.34Å
45E89.3Confident86.4Confident92 Ų9252.4 Ų52.443%0.4326%0.256SS..Hα-helixtrans-61.1-41.7174.2-72.4171.3-169.100112.1K41 L48 R49K41-E45 WeakPolarHBondContact CE-OE1 3.47Å; K41-E45 IonicContact NZ-OE1 2.8Å; K41-E45 PolarHBondContact NZ-OE1 3.02Å; K41-E45 WeakPolarHBondContact O-CG 3.22Å; K41-E45 PolarHBondContact O-N 2.84Å; E45-L48 PolarHBondContact O-N 2.97Å; E45-R49 PolarHBondContact O-N 3.38Å
46E89.1Confident86.3Confident15 Ų1549.6 Ų49.67%0.0725%0.245CC..Hα-helixtrans-73.5-37178.8-173.758.9-161.300112.8L22 L42 L43 L48 R49 V50 I740L22-E46 HydrophobicContact CD1-CG 4Å; L22-E46 HydrophobicContact CD2-CG 4.34Å; L42-E46 WeakPolarHBondContact O-CB 3.27Å; L42-E46 PolarHBondContact O-N 3.38Å; L43-E46 PolarHBondContact O-N 3.34Å; E46-L48 VanDerWaalsContact C-N 3.34Å; E46-R49 WeakPolarHBondContact O-CB 3.4Å; E46-R49 PolarHBondContact O-N 3.48Å; E46-R49 IonicContact OE1-CZ 3.2Å; E46-R49 IonicContact OE1-NE 2.72Å; E46-R49 PolarHBondContact OE1-NE 3.44Å; E46-R49 IonicContact OE1-NH2 2.83Å; E46-R49 PolarHBondContact OE1-NH2 2.89Å; E46-R49 WeakPolarHBondContact OE2-CD 3.42Å; E46-R49 IonicContact OE2-NE 3.12Å; E46-R49 PolarHBondContact OE2-NE 2.84Å; E46-V50 WeakPolarHBondContact O-CG2 3.45Å; E46-V50 PolarHBondContact O-N 2.89Å; E46-I740 VanDerWaalsContact CD-CD1 3.45Å; E46-I740 HydrophobicContact CG-CD1 3.82Å
47I90.4Very high85.6Confident5 Ų550 Ų503%0.02625%0.253CS..Hα-helixtrans-59.3-46.6170.4-74167.2000110.1L19 L22 F23 R26 L43 G44 R49 V50 Q51L19-I47 HydrophobicContact CD1-CG1 4.4Å; L19-I47 HydrophobicContact CD1-CG2 4.21Å; L22-I47 HydrophobicContact CB-CD1 4.29Å; L22-I47 HydrophobicContact CB-CG1 3.76Å; L22-I47 HydrophobicContact CD1-CG1 4.06Å; F23-I47 HydrophobicContact CD1-CD1 4.13Å; F23-I47 HydrophobicContact CE1-CD1 4.32Å; F23-I47 HydrophobicContact CE1-CG2 3.9Å; F23-I47 HydrophobicContact CZ-CG2 4.4Å; R26-I47 HydrophobicContact CB-CD1 4.35Å; L43-I47 HydrophobicContact CD1-CD1 4.26Å; L43-I47 HydrophobicContact CD1-CG1 4.4Å; L43-I47 HydrophobicContact CG-CD1 4.06Å; L43-I47 WeakPolarHBondContact O-CB 3.37Å; L43-I47 VanDerWaalsContact O-CG1 3.25Å; L43-I47 WeakPolarHBondContact O-CG1 3.42Å; L43-I47 PolarHBondContact O-N 2.9Å; G44-I47 PolarHBondContact O-N 3.36Å; I47-R49 VanDerWaalsContact C-N 3.32Å; I47-R49 PolarHBondContact O-N 2.94Å; I47-V50 PolarHBondContact O-N 3.44Å; I47-Q51 HydrophobicContact CG2-CG 4.36Å; I47-Q51 WeakPolarHBondContact O-CB 3.5Å; I47-Q51 VanDerWaalsContact O-CG 3.29Å; I47-Q51 WeakPolarHBondContact O-CG 3.36Å; I47-Q51 PolarHBondContact O-N 3.43Å
48L88.4Confident84.6Confident50 Ų5046.6 Ų46.626%0.26223%0.234SC..Hα-helixtrans-62.8-36.9176.6-73.2167.9000112.3G44 E45 E46 S52 C108G44-L48 WeakPolarHBondContact O-CB 3.48Å; G44-L48 VanDerWaalsContact O-CG 3.32Å; G44-L48 WeakPolarHBondContact O-CG 3.32Å; G44-L48 PolarHBondContact O-N 3.34Å; E45-L48 PolarHBondContact O-N 2.97Å; E46-L48 VanDerWaalsContact C-N 3.34Å; L48-S52 VanDerWaalsContact O-CB 3.28Å; L48-S52 WeakPolarHBondContact O-CB 3.26Å; L48-S52 PolarHBondContact O-N 3.35Å; L48-S52 PolarHBondContact O-OG 2.71Å; L48-C108 HydrophobicContact CD2-CB 4.23Å
49R87.2Confident83.4Confident85 Ų8541.9 Ų41.932%0.32123%0.225SC..Hα-helixtrans-61.4-48.6173.8-168.5-162.969.569.2-0.5111.5E45 E46 I47 S52 E53E45-R49 PolarHBondContact O-N 3.38Å; E46-R49 WeakPolarHBondContact O-CB 3.4Å; E46-R49 PolarHBondContact O-N 3.48Å; E46-R49 IonicContact OE1-CZ 3.2Å; E46-R49 IonicContact OE1-NE 2.72Å; E46-R49 PolarHBondContact OE1-NE 3.44Å; E46-R49 IonicContact OE1-NH2 2.83Å; E46-R49 PolarHBondContact OE1-NH2 2.89Å; E46-R49 WeakPolarHBondContact OE2-CD 3.42Å; E46-R49 IonicContact OE2-NE 3.12Å; E46-R49 PolarHBondContact OE2-NE 2.84Å; I47-R49 VanDerWaalsContact C-N 3.32Å; I47-R49 PolarHBondContact O-N 2.94Å; R49-S52 WeakPolarHBondContact O-CB 3.26Å; R49-S52 PolarHBondContact O-N 3.14Å; R49-E53 IonicContact CZ-OE2 3.93Å; R49-E53 IonicContact NH1-OE2 3.17Å; R49-E53 PolarHBondContact NH1-OE2 2.85Å; R49-E53 IonicContact NH2-OE2 3Å; R49-E53 PolarHBondContact O-N 3.26Å
50V86.5Confident82.6Confident0 Ų040.6 Ų40.60%022%0.218CC..Hα-helixtrans-68.8-38.8-178.3171.70000111.7L15 Y18 L19 L22 E46 I47 E53 L54L15-V50 HydrophobicContact CD1-CB 4.45Å; L15-V50 HydrophobicContact CD1-CG1 3.74Å; L15-V50 HydrophobicContact CD1-CG2 4.37Å; L15-V50 HydrophobicContact CG-CG1 4.03Å; Y18-V50 HydrophobicContact CD1-CG2 3.77Å; Y18-V50 HydrophobicContact CE1-CG2 3.75Å; L19-V50 HydrophobicContact CB-CG1 3.69Å; L19-V50 HydrophobicContact CD1-CB 4.28Å; L19-V50 HydrophobicContact CD1-CG1 3.9Å; L19-V50 HydrophobicContact CD2-CG1 4.17Å; L19-V50 HydrophobicContact CG-CG1 4.11Å; L22-V50 HydrophobicContact CD1-CB 4.41Å; L22-V50 HydrophobicContact CD1-CG2 3.93Å; E46-V50 WeakPolarHBondContact O-CG2 3.45Å; E46-V50 PolarHBondContact O-N 2.89Å; I47-V50 PolarHBondContact O-N 3.44Å; V50-E53 PolarHBondContact O-N 3.02Å; V50-L54 PolarHBondContact O-N 2.72Å
51Q86.1Confident81.8Confident4 Ų440.2 Ų40.22%0.01922%0.224CC..Hα-helixtrans-61.2-44.5170.7-71.9-177.2-25.400111.4L19 I47 E53 L54 F55 M192 E196L19-Q51 HydrophobicContact CD2-CG 4.22Å; I47-Q51 HydrophobicContact CG2-CG 4.36Å; I47-Q51 WeakPolarHBondContact O-CB 3.5Å; I47-Q51 VanDerWaalsContact O-CG 3.29Å; I47-Q51 WeakPolarHBondContact O-CG 3.36Å; I47-Q51 PolarHBondContact O-N 3.43Å; Q51-E53 VanDerWaalsContact C-N 3.31Å; Q51-E53 PolarHBondContact O-N 2.78Å; Q51-L54 WeakPolarHBondContact O-CB 3.1Å; Q51-L54 PolarHBondContact O-N 2.65Å; Q51-F55 HydrophobicContact CB-CE2 4.15Å; Q51-F55 WeakPolarHBondContact O-CD2 3.21Å; Q51-F55 PolarHBondContact O-N 2.95Å; Q51-M192 HydrophobicContact CB-SD 4.44Å; Q51-M192 HydrophobicContact CG-CE 4.38Å; Q51-M192 HydrophobicContact CG-SD 3.8Å; Q51-E196 PolarHBondContact NE2-OE2 2.65Å
52S81.3Confident81.2Confident27 Ų2736 Ų3619%0.18921%0.211CC..Hα-helixtrans-60.8-36.6176.2-62.20000113.1L48 R49 F55 S56L48-S52 VanDerWaalsContact O-CB 3.28Å; L48-S52 WeakPolarHBondContact O-CB 3.26Å; L48-S52 PolarHBondContact O-N 3.35Å; L48-S52 PolarHBondContact O-OG 2.71Å; R49-S52 WeakPolarHBondContact O-CB 3.26Å; R49-S52 PolarHBondContact O-N 3.14Å; S52-F55 PolarHBondContact O-N 3.5Å; S52-S56 WeakPolarHBondContact O-CB 3.45Å; S52-S56 PolarHBondContact O-N 3.01Å; S52-S56 PolarHBondContact O-OG 3.19Å
53E82.9Confident80.7Confident59 Ų5934 Ų3428%0.27620%0.2SC..Hα-helixtrans-70.8-36.7176.6-168.6178.9167.300111.8L15 R49 V50 Q51 S56 T57L15-E53 HydrophobicContact CD1-CB 4.47Å; L15-E53 HydrophobicContact CD1-CG 4.35Å; L15-E53 HydrophobicContact CD2-CB 3.86Å; L15-E53 HydrophobicContact CD2-CG 3.65Å; R49-E53 IonicContact CZ-OE2 3.93Å; R49-E53 IonicContact NH1-OE2 3.17Å; R49-E53 PolarHBondContact NH1-OE2 2.85Å; R49-E53 IonicContact NH2-OE2 3Å; R49-E53 PolarHBondContact O-N 3.26Å; V50-E53 PolarHBondContact O-N 3.02Å; Q51-E53 VanDerWaalsContact C-N 3.31Å; Q51-E53 PolarHBondContact O-N 2.78Å; E53-S56 PolarHBondContact O-N 2.92Å; E53-T57 PolarHBondContact O-N 3.15Å; E53-T57 PolarHBondContact O-OG1 3.26Å
54L80.6Confident80.1Confident1 Ų138.9 Ų38.91%0.00522%0.221CC..Hα-helixtrans-62.4-49.4169.1-73.7167000111.3T12 L15 L16 L19 V50 Q51 S56 T57 F58 M192T12-L54 HydrophobicContact CG2-CD2 4.47Å; L15-L54 HydrophobicContact CB-CD2 4.46Å; L15-L54 HydrophobicContact CD2-CD2 3.76Å; L15-L54 HydrophobicContact CD2-CG 3.72Å; L15-L54 HydrophobicContact CG-CD2 4.17Å; L15-L54 HydrophobicContact CG-CG 4.09Å; L16-L54 HydrophobicContact CD1-CD1 4.48Å; L19-L54 HydrophobicContact CD2-CD1 3.7Å; V50-L54 PolarHBondContact O-N 2.72Å; Q51-L54 WeakPolarHBondContact O-CB 3.1Å; Q51-L54 PolarHBondContact O-N 2.65Å; L54-S56 VanDerWaalsContact C-N 3.28Å; L54-S56 PolarHBondContact O-N 3.3Å; L54-T57 WeakPolarHBondContact O-CB 3.19Å; L54-T57 PolarHBondContact O-N 3.34Å; L54-F58 VanDerWaalsContact O-CD2 3.27Å; L54-F58 WeakPolarHBondContact O-CD2 3.12Å; L54-M192 HydrophobicContact CD1-CG 4.3Å; L54-M192 HydrophobicContact CD1-SD 3.54Å; L54-M192 VanDerWaalsContact CD1-SD 3.54Å
55F78.4Confident79.6Confident1 Ų143.1 Ų43.10%0.00423%0.234CC..Hα-helixtrans-59.8-36.9176.6-67.7-59.7000112.9Q51 S52 T57 F58 I60 T105 C108 L109 F175 V189 M192Q51-F55 HydrophobicContact CB-CE2 4.15Å; Q51-F55 WeakPolarHBondContact O-CD2 3.21Å; Q51-F55 PolarHBondContact O-N 2.95Å; S52-F55 PolarHBondContact O-N 3.5Å; F55-T57 PolarHBondContact O-N 3.37Å; F55-F58 PolarHBondContact O-N 3.38Å; F55-I60 PolarHBondContact O-N 3.37Å; F55-T105 HydrophobicContact CE1-CG2 3.93Å; F55-T105 HydrophobicContact CZ-CG2 3.56Å; F55-C108 HydrophobicContact CE2-CB 3.94Å; F55-L109 HydrophobicContact CD1-CD2 4.41Å; F55-L109 HydrophobicContact CE1-CD2 4.5Å; F55-F175 HydrophobicContact CE1-CE2 4.12Å; F55-V189 HydrophobicContact CD1-CG2 3.97Å; F55-V189 HydrophobicContact CE1-CG1 3.82Å; F55-V189 HydrophobicContact CE1-CG2 3.8Å; F55-V189 HydrophobicContact CZ-CG1 4.42Å; F55-M192 HydrophobicContact CZ-CE 3.97Å
56S76.8Confident79Confident51 Ų5148.6 Ų48.636%0.35726%0.257SS..Hα-helixtrans-59.8-30.1175.6-59.40000112.6S52 E53 L54 F58 G59 I60S52-S56 WeakPolarHBondContact O-CB 3.45Å; S52-S56 PolarHBondContact O-N 3.01Å; S52-S56 PolarHBondContact O-OG 3.19Å; E53-S56 PolarHBondContact O-N 2.92Å; L54-S56 VanDerWaalsContact C-N 3.28Å; L54-S56 PolarHBondContact O-N 3.3Å; S56-F58 VanDerWaalsContact C-N 3.26Å; S56-F58 PolarHBondContact O-N 2.81Å; S56-G59 PolarHBondContact O-N 2.8Å; S56-I60 WeakPolarHBondContact CA-O 3.2Å
57T68.7Low78.5Confident60 Ų6051.8 Ų51.837%0.36827%0.271SS..Hα-helixtrans-72.1-19176.2-47.80000112.9T12 E53 L54 F55 G59T12-T57 HydrophobicContact CG2-CG2 3.65Å; E53-T57 PolarHBondContact O-N 3.15Å; E53-T57 PolarHBondContact O-OG1 3.26Å; L54-T57 WeakPolarHBondContact O-CB 3.19Å; L54-T57 PolarHBondContact O-N 3.34Å; F55-T57 PolarHBondContact O-N 3.37Å; T57-G59 VanDerWaalsContact C-N 3.28Å; T57-G59 PolarHBondContact O-N 2.81Å
58F65.7Low78.3Confident44 Ų4452.5 Ų52.519%0.19328%0.275CS..THydrogen-bonded Turntrans-91.519.1173.6-66.1-83.6000112.8L54 F55 S56 I60 E178 K188 V189L54-F58 VanDerWaalsContact O-CD2 3.27Å; L54-F58 WeakPolarHBondContact O-CD2 3.12Å; F55-F58 PolarHBondContact O-N 3.38Å; S56-F58 VanDerWaalsContact C-N 3.26Å; S56-F58 PolarHBondContact O-N 2.81Å; F58-I60 PolarHBondContact O-N 3.3Å; F58-E178 HydrophobicContact CD1-CG 4.22Å; F58-K188 HydrophobicContact CE2-CB 4.12Å; F58-K188 HydrophobicContact CZ-CB 3.74Å; F58-K188 HydrophobicContact CZ-CD 4.13Å; F58-K188 HydrophobicContact CZ-CG 3.91Å; F58-V189 HydrophobicContact CD2-CG2 3.9Å; F58-V189 HydrophobicContact CE2-CG2 3.64Å; F58-V189 HydrophobicContact CZ-CG2 4.33Å
59G64.5Low78.3Confident46 Ų4652.1 Ų52.147%0.47428%0.276SS..THydrogen-bonded Turntrans718.1179.400000114.7S56 T57 C61S56-G59 PolarHBondContact O-N 2.8Å; T57-G59 VanDerWaalsContact C-N 3.28Å; T57-G59 PolarHBondContact O-N 2.81Å; G59-C61 PolarHBondContact O-N 2.93Å
60I72.6Confident78.4Confident3 Ų358.7 Ų58.72%0.01530%0.301CS..  trans-83.1101.1173.8-53.9175.5000106.5F55 S56 F58 L109 F112 C171 F175F55-I60 PolarHBondContact O-N 3.37Å; S56-I60 WeakPolarHBondContact CA-O 3.2Å; F58-I60 PolarHBondContact O-N 3.3Å; I60-L109 HydrophobicContact CD1-CD2 4.47Å; I60-F112 HydrophobicContact CG2-CD1 4.18Å; I60-F112 HydrophobicContact CG2-CE1 3.87Å; I60-F112 WeakPolarHBondContact O-CE1 3.47Å; I60-F112 WeakPolarHBondContact O-CZ 3.16Å; I60-C171 HydrophobicContact CG2-CB 4.2Å; I60-F175 HydrophobicContact CD1-CB 3.93Å; I60-F175 HydrophobicContact CD1-CD2 3.7Å; I60-F175 HydrophobicContact CD1-CG 4.22Å
61C68.9Low78.5Confident74 Ų7462.4 Ų62.450%0.532%0.324SS..  trans-95.9145.2-178.4-73.50000111.6G59G59-C61 PolarHBondContact O-N 2.93Å
62P76.1Confident78.7Confident46 Ų4667.2 Ų67.230%0.29935%0.351SS..  trans-72.8137.1-178.429.6-31.9000109.4K64 F112P62-K64 VanDerWaalsContact C-N 3.34Å; P62-K64 WeakPolarHBondContact O-CG 3.18Å; P62-K64 PolarHBondContact O-N 3.46Å; P62-F112 HydrophobicContact CB-CD1 4.19Å; P62-F112 HydrophobicContact CB-CD2 4.09Å; P62-F112 HydrophobicContact CB-CE1 3.94Å; P62-F112 HydrophobicContact CB-CE2 3.83Å; P62-F112 HydrophobicContact CB-CG 4.28Å; P62-F112 HydrophobicContact CB-CZ 3.78Å; P62-F112 VanDerWaalsContact CD-CZ 3.42Å; P62-F112 HydrophobicContact CG-CE1 4.5Å; P62-F112 HydrophobicContact CG-CE2 4.18Å; P62-F112 HydrophobicContact CG-CZ 4Å
63I80.5Confident79.1Confident22 Ų2268.2 Ų68.211%0.11337%0.365CS..  trans-75.490.4-180-58.1177.7000108.3L68 F112 L113 R164 K167 A168I63-L68 HydrophobicContact CG2-CD1 4.42Å; I63-L68 HydrophobicContact CG2-CD2 3.97Å; I63-L68 HydrophobicContact CG2-CG 4.31Å; I63-F112 PolarHBondContact N-O 2.94Å; I63-L113 HydrophobicContact CD1-CB 4.36Å; I63-L113 HydrophobicContact CD1-CD2 4.04Å; I63-L113 HydrophobicContact CG1-CD2 4.13Å; I63-R164 HydrophobicContact CD1-CG 3.84Å; I63-R164 HydrophobicContact CG2-CG 4.34Å; I63-K167 HydrophobicContact CD1-CB 3.57Å; I63-K167 HydrophobicContact CG1-CB 4.1Å; I63-K167 HydrophobicContact CG1-CD 4.35Å; I63-K167 HydrophobicContact CG2-CD 4.16Å; I63-A168 HydrophobicContact CD1-CB 4.23Å
64K79.4Confident79.6Confident107 Ų10769.3 Ų69.347%0.46538%0.377SS..  trans-68.5136.5-176.6-54.8-174.4-154.383.30110.1P62 K66 E67P62-K64 VanDerWaalsContact C-N 3.34Å; P62-K64 WeakPolarHBondContact O-CG 3.18Å; P62-K64 PolarHBondContact O-N 3.46Å; K64-K66 PolarHBondContact O-N 2.96Å; K64-E67 HydrophobicContact CB-CG 4.14Å; K64-E67 IonicContact NZ-OE1 2.75Å; K64-E67 PolarHBondContact NZ-OE1 2.91Å; K64-E67 WeakPolarHBondContact O-CB 3.33Å; K64-E67 PolarHBondContact O-N 3.06Å
65E77.8Confident80.1Confident113 Ų11375 Ų7553%0.52840%0.402SS..G310 helixtrans-53.6-30.3175-173.663-167.400113E67 L68 R160E65-E67 PolarHBondContact O-N 3.25Å; E65-L68 PolarHBondContact O-N 2.99Å; E65-R160 IonicContact OE1-CZ 2.71Å; E65-R160 VanDerWaalsContact OE1-CZ 3.23Å; E65-R160 IonicContact OE1-NH1 2.68Å; E65-R160 PolarHBondContact OE1-NH1 3Å; E65-R160 IonicContact OE1-NH2 3.71Å; E65-R160 PolarHBondContact OE1-NH2 3.44Å; E65-R160 IonicContact OE2-CZ 2.81Å; E65-R160 IonicContact OE2-NH1 3.92Å; E65-R160 IonicContact OE2-NH2 2.64Å; E65-R160 PolarHBondContact OE2-NH2 3.02Å
66K76.7Confident80.9Confident208 Ų20875.4 Ų75.490%0.90440%0.404SS*.G310 helixtrans-67-15.1174.8-63.2-172.2178.6-174.80114.8K64K64-K66 PolarHBondContact O-N 2.96Å
67E79.5Confident81.8Confident82 Ų8276.4 Ų76.438%0.38341%0.406SS..G310 helixtrans-103.76.5-179.8-56170-15500112.6K64 E65 K167K64-E67 HydrophobicContact CB-CG 4.14Å; K64-E67 IonicContact NZ-OE1 2.75Å; K64-E67 PolarHBondContact NZ-OE1 2.91Å; K64-E67 WeakPolarHBondContact O-CB 3.33Å; K64-E67 PolarHBondContact O-N 3.06Å; E65-E67 PolarHBondContact O-N 3.25Å; E67-K167 IonicContact OE2-NZ 3.07Å; E67-K167 PolarHBondContact OE2-NZ 2.88Å
68L85Confident83Confident19 Ų1973.7 Ų73.710%0.09939%0.389CS..SBendtrans-103.6148.8176.7-64.8177.3000110I63 E65 V163 R164I63-L68 HydrophobicContact CG2-CD1 4.42Å; I63-L68 HydrophobicContact CG2-CD2 3.97Å; I63-L68 HydrophobicContact CG2-CG 4.31Å; E65-L68 PolarHBondContact O-N 2.99Å; L68-V163 HydrophobicContact CD2-CB 4.33Å; L68-V163 HydrophobicContact CD2-CG1 3.97Å; L68-R164 HydrophobicContact CD2-CB 4.4Å
69P88.8Confident84.4Confident43 Ų4374.3 Ų74.328%0.27939%0.392SS..PPolyproline II helixtrans-62.5163.6171.625.6-31.2000111N159 R160P69-N159 HydrophobicContact CG-CB 4.4Å; P69-N159 WeakPolarHBondContact CG-O 3.24Å; P69-R160 HydrophobicContact CG-CG 3.84Å; P69-R160 WeakPolarHBondContact O-CD 3.5Å; P69-R160 WeakPolarHBondContact O-CG 3.39Å; P69-R160 PolarHBondContact O-NH1 3.24Å
70R88.9Confident85.9Confident223 Ų22372.2 Ų72.284%0.84237%0.37SS*.PPolyproline II helixtrans-61.1147.7172-65.3-173.5-179-161.11109.7D72R70-D72 PolarHBondContact O-N 3.11Å
71P90.4Very high86.9Confident77 Ų7774.9 Ų74.950%0.538%0.382SS..PPolyproline II helixtrans-49.1126.7167.3-31.338.8000112Y157P71-Y157 HydrophobicContact CB-CD1 4.16Å; P71-Y157 HydrophobicContact CB-CD2 3.64Å; P71-Y157 HydrophobicContact CB-CE1 4.19Å; P71-Y157 HydrophobicContact CB-CE2 3.7Å; P71-Y157 HydrophobicContact CB-CG 3.9Å; P71-Y157 HydrophobicContact CG-CD2 4.21Å; P71-Y157 HydrophobicContact CG-CE2 4.26Å
72D90.2Very high88.1Confident106 Ų10671.9 Ų71.957%0.56736%0.361SS*.  trans-155.5146.1-178.9-173.421.8000110.2R70 Y157R70-D72 PolarHBondContact O-N 3.11Å; D72-Y157 WeakPolarHBondContact O-CB 3.26Å
73G89.8Confident88.9Confident47 Ų4773.3 Ų73.349%0.48536%0.361SS..SBendtrans69.2-163.8-172.700000114.7Y157G73-Y157 VanDerWaalsContact O-CD1 3.25Å; G73-Y157 WeakPolarHBondContact O-CD1 3.27Å; G73-Y157 WeakPolarHBondContact O-CE1 3.43Å
74P92Very high89.4Confident83 Ų8372.9 Ų72.954%0.53936%0.358SS..  trans-79162.8172.433.5-34.5000111.9Y157 E158P74-Y157 WeakPolarHBondContact O-CA 3.02Å; P74-E158 PolarHBondContact O-N 3.24Å
75K92.6Very high89.6Confident120 Ų12069.7 Ų69.752%0.52235%0.349SS..EExtended strand (participates in β ladder)trans-70139162.7-73.4-173.9170.1-1660110.2E155 D156 Y157K75-E155 IonicContact NZ-OE1 2.72Å; K75-E155 PolarHBondContact NZ-OE1 2.91Å; K75-D156 WeakPolarHBondContact CA-O 3.33Å; K75-Y157 HydrophobicContact CG-CE2 4.4Å
76V94.1Very high89.4Confident10 Ų1069.4 Ų69.46%0.06135%0.349CS..EExtended strand (participates in β ladder)trans-133.4155.2176.2-65.20000110.3L78 D156 E158 A161 T568V76-L78 HydrophobicContact CB-CD2 4.28Å; V76-L78 HydrophobicContact CG2-CD1 4.33Å; V76-L78 HydrophobicContact CG2-CD2 3.87Å; V76-L78 HydrophobicContact CG2-CG 3.86Å; V76-D156 PolarHBondContact N-O 2.96Å; V76-D156 PolarHBondContact O-N 3.05Å; V76-E158 HydrophobicContact CG1-CB 4.39Å; V76-E158 HydrophobicContact CG2-CB 3.84Å; V76-E158 HydrophobicContact CG2-CG 4.11Å; V76-A161 HydrophobicContact CG2-CB 4.13Å; V76-T568 HydrophobicContact CG1-CG2 4.23Å
77N94.9Very high89.2Confident72 Ų7263.6 Ų63.639%0.38533%0.328SS..EExtended strand (participates in β ladder)trans-105.3108.5171.3-175.9-2.2000108.5V154 T567N77-V154 WeakPolarHBondContact CA-O 3.35Å; N77-T567 PolarHBondContact O-OG1 3.46Å
78L94.8Very high88.6Confident3 Ų366 Ų662%0.01635%0.354CS..EExtended strand (participates in β ladder)trans-104.5142.9179.9-56-173.6000110.7V76 T153 V154 A161 K162 L165 T566V76-L78 HydrophobicContact CB-CD2 4.28Å; V76-L78 HydrophobicContact CG2-CD1 4.33Å; V76-L78 HydrophobicContact CG2-CD2 3.87Å; V76-L78 HydrophobicContact CG2-CG 3.86Å; L78-T153 WeakPolarHBondContact O-CA 3.28Å; L78-V154 PolarHBondContact N-O 3.19Å; L78-V154 PolarHBondContact O-N 3.23Å; L78-A161 HydrophobicContact CD1-CB 3.63Å; L78-A161 HydrophobicContact CG-CB 3.98Å; L78-K162 HydrophobicContact CD1-CG 3.74Å; L78-L165 HydrophobicContact CB-CD2 3.9Å; L78-T566 HydrophobicContact CD2-CG2 3.57Å
79Q95.6Very high87.6Confident57 Ų5771.5 Ų71.527%0.26639%0.388SS..EExtended strand (participates in β ladder)trans-130.3142.2-178.3-45.5-166.719.400111.7L151 I152 T153 T565Q79-L151 HydrophobicContact CB-CD1 4.17Å; Q79-I152 VanDerWaalsContact CA-O 3.26Å; Q79-I152 WeakPolarHBondContact CA-O 2.95Å; Q79-T153 HydrophobicContact CB-CG2 4.27Å; Q79-T153 HydrophobicContact CG-CG2 3.77Å; Q79-T565 PolarHBondContact N-O 3.43Å; Q79-T565 PolarHBondContact O-N 2.93Å
80A95.2Very high86.7Confident1 Ų171.5 Ų71.51%0.00839%0.385CS..EExtended strand (participates in β ladder)trans-130.4139.2172.300000110.7I152 L165 T562 I563A80-I152 PolarHBondContact N-O 3.14Å; A80-I152 PolarHBondContact O-N 3.24Å; A80-L165 HydrophobicContact CB-CD1 3.81Å; A80-L165 HydrophobicContact CB-CD2 4.07Å; A80-L165 HydrophobicContact CB-CG 4Å; A80-T562 HydrophobicContact CB-CG2 4.41Å; A80-I563 WeakPolarHBondContact CA-O 3.31Å
81K94.6Very high86.2Confident59 Ų5968.8 Ų68.826%0.25739%0.388SS..EExtended strand (participates in β ladder)trans-97.9133.9169.9-67.6-173.8179.5-178.90110.5D146 L151 I563K81-D146 IonicContact NZ-OD2 3.68Å; K81-D146 PolarHBondContact NZ-OD2 3.46Å; K81-L151 HydrophobicContact CG-CD1 4.09Å; K81-I563 PolarHBondContact N-O 3.45Å; K81-I563 VanDerWaalsContact N-O 3.08Å
82I94.1Very high86Confident11 Ų1166.4 Ų66.46%0.05637%0.369CS..EExtended strand (participates in β ladder)trans-124.1112.4170.9-56.4174.4000107.8H149 V150 I152 I172 L176I82-H149 CarbonylContact O-C 3.5Å; I82-H149 WeakPolarHBondContact O-CA 3.45Å; I82-H149 VanDerWaalsContact O-CB 3.3Å; I82-H149 WeakPolarHBondContact O-CB 3.47Å; I82-V150 PolarHBondContact N-O 2.96Å; I82-V150 PolarHBondContact O-N 2.81Å; I82-I152 HydrophobicContact CD1-CD1 3.53Å; I82-I152 HydrophobicContact CD1-CG1 4.42Å; I82-I152 HydrophobicContact CG1-CD1 4.44Å; I82-I172 HydrophobicContact CD1-CB 4.15Å; I82-I172 HydrophobicContact CD1-CG2 3.93Å; I82-L176 HydrophobicContact CG2-CD1 4Å
83Y92.7Very high85.9Confident77 Ų7766.6 Ų66.630%0.30237%0.37SS..EExtended strand (participates in β ladder)trans-73.4146.8176.1-59.3-77000110.9N147 H149 I563Y83-N147 HydrophobicContact CD1-CB 3.85Å; Y83-N147 HydrophobicContact CE1-CB 4.1Å; Y83-H149 HydrophobicContact CD1-CB 3.78Å; Y83-H149 HydrophobicContact CE1-CB 4.13Å; Y83-H149 HydrophobicContact CG-CB 4.42Å; Y83-I563 HydrophobicContact CE2-CD1 4.39Å
84M89.3Confident86Confident12 Ų1264.5 Ų64.56%0.05935%0.347CS..  trans-73.1143.1175.3-53.8-61.6-175.600110.6M86 F94 I98 I119 L148 V150 L176M84-M86 VanDerWaalsContact C-N 3.26Å; M84-M86 HydrophobicContact CB-CG 3.93Å; M84-M86 HydrophobicContact CB-SD 4Å; M84-M86 PolarHBondContact O-N 3.48Å; M84-F94 HydrophobicContact CB-CD2 4.22Å; M84-F94 HydrophobicContact CB-CG 4.42Å; M84-F94 HydrophobicContact CE-CB 4.49Å; M84-F94 HydrophobicContact CG-CB 4.32Å; M84-F94 HydrophobicContact SD-CB 3.93Å; M84-F94 HydrophobicContact SD-CG 4.47Å; M84-I98 HydrophobicContact CE-CD1 3.58Å; M84-I98 HydrophobicContact SD-CD1 4.04Å; M84-I119 HydrophobicContact CE-CG2 4.33Å; M84-L148 HydrophobicContact CB-CD2 4.37Å; M84-L148 HydrophobicContact CE-CG 4.26Å; M84-L148 HydrophobicContact CG-CB 4.2Å; M84-L148 HydrophobicContact CG-CD2 3.71Å; M84-L148 HydrophobicContact CG-CG 3.63Å; M84-L148 PolarHBondContact N-O 3.48Å; M84-V150 HydrophobicContact CE-CG2 3.55Å; M84-V150 HydrophobicContact SD-CG2 4.07Å; M84-L176 HydrophobicContact SD-CD1 3.89Å; M84-L176 HydrophobicContact SD-CD2 3.58Å; M84-L176 VanDerWaalsContact SD-CD2 3.58Å; M84-L176 HydrophobicContact SD-CG 4.41Å
85P84.1Confident86Confident41 Ų4162 Ų6227%0.26633%0.33SS..  trans-73.479.8171.630.8-33.4000110.5D87 F94 V180P85-D87 PolarHBondContact O-N 3.43Å; P85-F94 HydrophobicContact CG-CE1 3.87Å; P85-F94 HydrophobicContact CG-CZ 3.88Å; P85-F94 WeakPolarHBondContact O-CE2 3.22Å; P85-F94 VanDerWaalsContact O-CZ 3.24Å; P85-F94 WeakPolarHBondContact O-CZ 3.37Å; P85-V180 HydrophobicContact CB-CG2 4.46Å; P85-V180 HydrophobicContact CG-CG2 3.87Å
86M74.6Confident86Confident107 Ų10757.7 Ų57.753%0.52732%0.321SS..  trans-87.869.4-179.3-63.3-60-52.100111.3M84 F94 L148M84-M86 VanDerWaalsContact C-N 3.26Å; M84-M86 HydrophobicContact CB-CG 3.93Å; M84-M86 HydrophobicContact CB-SD 4Å; M84-M86 PolarHBondContact O-N 3.48Å; M86-F94 HydrophobicContact SD-CD2 3.57Å; M86-F94 VanDerWaalsContact SD-CD2 3.57Å; M86-F94 HydrophobicContact SD-CE2 3.64Å; M86-L148 HydrophobicContact SD-CD2 4.11Å
87D72.2Confident85.9Confident86 Ų8657.6 Ų57.646%0.4632%0.319SS..  trans-65.6139173.8-58.8-46.4000110.7P85 T89 N90P85-D87 PolarHBondContact O-N 3.43Å; D87-T89 PolarHBondContact O-N 2.68Å; D87-N90 HydrophobicContact CB-CB 4.14Å; D87-N90 PolarHBondContact O-N 3.04Å
88S67.6Low85.8Confident133 Ų13354.5 Ų54.593%0.9330%0.302SS*.THydrogen-bonded Turntrans-61.7-17.6-176.257.30000114.4
89T63.2Low85.7Confident133 Ų13357.7 Ų57.782%0.81632%0.319SS*.THydrogen-bonded Turntrans-94.8-1617753.60000113.6D87D87-T89 PolarHBondContact O-N 2.68Å
90N69.1Low85.5Confident43 Ų4355.8 Ų55.823%0.2332%0.315CS..  trans-111.792.4-169.4-174.122.9000113D87 Y92D87-N90 HydrophobicContact CB-CB 4.14Å; D87-N90 PolarHBondContact O-N 3.04Å; N90-Y92 PolarHBondContact O-N 2.74Å; N90-Y92 WeakPolarHBondContact OD1-CB 3.25Å
91N79.4Confident85.3Confident166 Ų16656.3 Ų56.389%0.88832%0.318SS*.  trans-80.451.4177.9-165.416.4000112.9
92Y85.3Confident85Confident27 Ų2759.9 Ų59.911%0.10634%0.335CS..  trans-87.6137.9-178.7-170.7-83.3000112.5N90 F94 R97 S179 D187N90-Y92 PolarHBondContact O-N 2.74Å; N90-Y92 WeakPolarHBondContact OD1-CB 3.25Å; Y92-F94 AromaticContact CD1-CD1 3.8Å; Y92-F94 HydrophobicContact CD1-CD1 3.8Å; Y92-F94 AromaticContact CD1-CE1 3.88Å; Y92-F94 HydrophobicContact CD1-CE1 3.88Å; Y92-F94 HydrophobicContact CD1-CG 4.15Å; Y92-F94 HydrophobicContact CD1-CZ 4.28Å; Y92-F94 HydrophobicContact CE1-CD1 4.32Å; Y92-F94 VanDerWaalsContact O-CD2 3.29Å; Y92-F94 WeakPolarHBondContact O-CD2 3.47Å; Y92-F94 PolarHBondContact O-N 2.91Å; Y92-F94 VanDerWaalsContact O-N 3.08Å; Y92-R97 HydrophobicContact CE1-CB 3.81Å; Y92-R97 HydrophobicContact CE1-CG 3.94Å; Y92-S179 WeakPolarHBondContact CD2-O 3.44Å; Y92-S179 VanDerWaalsContact CE2-O 3.27Å; Y92-S179 WeakPolarHBondContact CE2-O 3.42Å; Y92-D187 PolarHBondContact OH-OD2 3.17Å
93N89.1Confident84.8Confident110 Ų11060.1 Ų60.159%0.58834%0.34SS*.  trans-86.175-177.5-173.2-2.9000112.9V95 G96 R97N93-V95 VanDerWaalsContact C-N 3.25Å; N93-V95 PolarHBondContact O-N 2.99Å; N93-V95 PolarHBondContact OD1-N 2.9Å; N93-G96 PolarHBondContact O-N 3.18Å; N93-G96 PolarHBondContact OD1-N 3.4Å; N93-R97 VanDerWaalsContact O-CB 3.24Å; N93-R97 WeakPolarHBondContact O-CB 3.43Å; N93-R97 PolarHBondContact O-N 2.89Å
94F90.9Very high84.7Confident3 Ų357.3 Ų57.31%0.01333%0.332CS..Hα-helixtrans-56.2-35.8176.7-58.3-74.8000113.6M84 P85 M86 Y92 R97 I98 L176 V180M84-F94 HydrophobicContact CB-CD2 4.22Å; M84-F94 HydrophobicContact CB-CG 4.42Å; M84-F94 HydrophobicContact CE-CB 4.49Å; M84-F94 HydrophobicContact CG-CB 4.32Å; M84-F94 HydrophobicContact SD-CB 3.93Å; M84-F94 HydrophobicContact SD-CG 4.47Å; P85-F94 HydrophobicContact CG-CE1 3.87Å; P85-F94 HydrophobicContact CG-CZ 3.88Å; P85-F94 WeakPolarHBondContact O-CE2 3.22Å; P85-F94 VanDerWaalsContact O-CZ 3.24Å; P85-F94 WeakPolarHBondContact O-CZ 3.37Å; M86-F94 HydrophobicContact SD-CD2 3.57Å; M86-F94 VanDerWaalsContact SD-CD2 3.57Å; M86-F94 HydrophobicContact SD-CE2 3.64Å; Y92-F94 AromaticContact CD1-CD1 3.8Å; Y92-F94 HydrophobicContact CD1-CD1 3.8Å; Y92-F94 AromaticContact CD1-CE1 3.88Å; Y92-F94 HydrophobicContact CD1-CE1 3.88Å; Y92-F94 HydrophobicContact CD1-CG 4.15Å; Y92-F94 HydrophobicContact CD1-CZ 4.28Å; Y92-F94 HydrophobicContact CE1-CD1 4.32Å; Y92-F94 VanDerWaalsContact O-CD2 3.29Å; Y92-F94 WeakPolarHBondContact O-CD2 3.47Å; Y92-F94 PolarHBondContact O-N 2.91Å; Y92-F94 VanDerWaalsContact O-N 3.08Å; F94-R97 WeakPolarHBondContact O-CB 3.48Å; F94-R97 PolarHBondContact O-N 3.41Å; F94-I98 WeakPolarHBondContact O-CD1 3.48Å; F94-I98 VanDerWaalsContact O-CG1 3.27Å; F94-I98 WeakPolarHBondContact O-CG1 3.24Å; F94-I98 PolarHBondContact O-N 3.38Å; F94-L176 HydrophobicContact CB-CD2 4.28Å; F94-L176 HydrophobicContact CD1-CD2 3.91Å; F94-L176 HydrophobicContact CG-CD2 4.44Å; F94-V180 HydrophobicContact CE1-CG2 3.63Å; F94-V180 HydrophobicContact CZ-CG2 3.67Å
95V92.4Very high84.8Confident30 Ų3056.7 Ų56.718%0.18233%0.329CS..Hα-helixtrans-67.7-50.4-178179.90000111.1N93 R97 I98 L99 I119 L148N93-V95 VanDerWaalsContact C-N 3.25Å; N93-V95 PolarHBondContact O-N 2.99Å; N93-V95 PolarHBondContact OD1-N 2.9Å; V95-R97 VanDerWaalsContact C-N 3.28Å; V95-R97 PolarHBondContact O-N 2.67Å; V95-I98 PolarHBondContact O-N 2.88Å; V95-L99 HydrophobicContact CG1-CD1 3.94Å; V95-L99 VanDerWaalsContact O-CG 3.32Å; V95-L99 WeakPolarHBondContact O-CG 3.42Å; V95-L99 PolarHBondContact O-N 3Å; V95-L99 VanDerWaalsContact O-N 3.1Å; V95-I119 HydrophobicContact CG1-CD1 3.97Å; V95-I119 HydrophobicContact CG1-CG2 4.49Å; V95-I119 HydrophobicContact CG2-CG2 4.23Å; V95-L148 HydrophobicContact CG2-CD1 4.05Å; V95-L148 HydrophobicContact CG2-CD2 4.02Å
96G92.6Very high85.2Confident31 Ų3155.1 Ų55.132%0.3232%0.319SS..Hα-helixtrans-62.3-37.4175.200000112.3N93 G100N93-G96 PolarHBondContact O-N 3.18Å; N93-G96 PolarHBondContact OD1-N 3.4Å; G96-G100 PolarHBondContact O-N 2.99Å
97R91.1Very high86Confident8 Ų855.7 Ų55.73%0.0332%0.319CS..Hα-helixtrans-60.8-46175167.258.9172.2-158.4-13.3113.4Y92 N93 F94 V95 F175 D187 V189 Q193Y92-R97 HydrophobicContact CE1-CB 3.81Å; Y92-R97 HydrophobicContact CE1-CG 3.94Å; N93-R97 VanDerWaalsContact O-CB 3.24Å; N93-R97 WeakPolarHBondContact O-CB 3.43Å; N93-R97 PolarHBondContact O-N 2.89Å; F94-R97 WeakPolarHBondContact O-CB 3.48Å; F94-R97 PolarHBondContact O-N 3.41Å; V95-R97 VanDerWaalsContact C-N 3.28Å; V95-R97 PolarHBondContact O-N 2.67Å; R97-F175 HydrophobicContact CG-CE1 3.85Å; R97-F175 HydrophobicContact CG-CZ 4.01Å; R97-D187 IonicContact CZ-OD1 2.71Å; R97-D187 IonicContact CZ-OD2 3.85Å; R97-D187 IonicContact NH1-OD1 3.76Å; R97-D187 PolarHBondContact NH1-OD1 3.38Å; R97-D187 IonicContact NH1-OD2 3.74Å; R97-D187 PolarHBondContact NH1-OD2 3.05Å; R97-D187 VanDerWaalsContact NH2-CG 3.31Å; R97-D187 IonicContact NH2-OD1 2.78Å; R97-D187 PolarHBondContact NH2-OD1 3.21Å; R97-D187 IonicContact NH2-OD2 2.74Å; R97-D187 PolarHBondContact NH2-OD2 3.33Å; R97-D187 VanDerWaalsContact NH2-OD2 3.17Å; R97-V189 VanDerWaalsContact NH1-CB 3.33Å; R97-Q193 PolarHBondContact O-NE2 3.14Å
98I93.2Very high86.8Confident6 Ų651.6 Ų51.63%0.03130%0.297CS..Hα-helixtrans-72.3-42.1180-66.6159.9000111.2M84 F94 V95 T105 A106 I119 V150 F175 L176M84-I98 HydrophobicContact CE-CD1 3.58Å; M84-I98 HydrophobicContact SD-CD1 4.04Å; F94-I98 WeakPolarHBondContact O-CD1 3.48Å; F94-I98 VanDerWaalsContact O-CG1 3.27Å; F94-I98 WeakPolarHBondContact O-CG1 3.24Å; F94-I98 PolarHBondContact O-N 3.38Å; V95-I98 PolarHBondContact O-N 2.88Å; I98-T105 WeakPolarHBondContact O-CB 3.28Å; I98-T105 WeakPolarHBondContact O-CG2 3.39Å; I98-A106 PolarHBondContact O-N 3.44Å; I98-I119 HydrophobicContact CB-CD1 4.19Å; I98-I119 HydrophobicContact CD1-CD1 4.43Å; I98-I119 HydrophobicContact CG2-CD1 4.17Å; I98-V150 HydrophobicContact CD1-CG2 3.71Å; I98-F175 HydrophobicContact CB-CE1 4.49Å; I98-F175 HydrophobicContact CG1-CD1 4.28Å; I98-F175 HydrophobicContact CG1-CE1 3.9Å; I98-L176 HydrophobicContact CD1-CD2 3.72Å; I98-L176 HydrophobicContact CG1-CD2 4.21Å
99L93.6Very high87.9Confident71 Ų7145.5 Ų45.537%0.37225%0.254SS..Hα-helixtrans-70.6-49.4-177.4-65.6174.5000111.9V95 G103 S104 T105 A106 I119V95-L99 HydrophobicContact CG1-CD1 3.94Å; V95-L99 VanDerWaalsContact O-CG 3.32Å; V95-L99 WeakPolarHBondContact O-CG 3.42Å; V95-L99 PolarHBondContact O-N 3Å; V95-L99 VanDerWaalsContact O-N 3.1Å; L99-G103 CarbonylContact O-C 3.54Å; L99-G103 WeakPolarHBondContact O-CA 3.49Å; L99-S104 PolarHBondContact O-N 3.41Å; L99-T105 WeakPolarHBondContact O-CB 3.43Å; L99-T105 PolarHBondContact O-N 3.47Å; L99-T105 VanDerWaalsContact O-N 3.07Å; L99-A106 HydrophobicContact CD2-CB 4.13Å; L99-A106 PolarHBondContact O-N 3.17Å; L99-I119 HydrophobicContact CD1-CD1 4.31Å; L99-I119 HydrophobicContact CD2-CD1 3.97Å; L99-I119 HydrophobicContact CG-CD1 3.86Å
100G91.9Very high89.3Confident16 Ų1642.1 Ų42.117%0.16523%0.229CC..  trans65.3-179.6-165.400000112.8G96 H102 G103G96-G100 PolarHBondContact O-N 2.99Å; G100-H102 PolarHBondContact O-N 3.33Å; G100-G103 PolarHBondContact O-N 3.1Å
101P91Very high90.2Very high13 Ų1346.3 Ų46.38%0.08425%0.247CC..G310 helixtrans-61.6130.4179.426.2-33.6000111.2G103 S104 E196 L197 L200P101-G103 PolarHBondContact O-N 2.86Å; P101-S104 WeakPolarHBondContact O-CB 3.28Å; P101-S104 PolarHBondContact O-N 2.89Å; P101-S104 PolarHBondContact O-OG 3.41Å; P101-E196 HydrophobicContact CB-CG 4.42Å; P101-E196 HydrophobicContact CG-CB 3.84Å; P101-E196 HydrophobicContact CG-CG 3.62Å; P101-E196 VanDerWaalsContact CG-OE2 3.31Å; P101-E196 WeakPolarHBondContact CG-OE2 3.35Å; P101-L197 HydrophobicContact CB-CB 4.33Å; P101-L197 HydrophobicContact CB-CD1 4.33Å; P101-L200 HydrophobicContact CB-CD1 4.32Å
102H87.7Confident90.5Very high133 Ų13339.7 Ų39.762%0.61621%0.211SC*.G310 helixtrans51.222.5-176-53.6-81.9000115.5G100 K107G100-H102 PolarHBondContact O-N 3.33Å; H102-K107 PolarHBondContact O-NZ 3.08Å
103G90.9Very high90.6Very high16 Ų1638.6 Ų38.617%0.16521%0.206CC..G310 helixtrans74.119.3-174.900000114.3L99 G100 P101 T105 A106 K107L99-G103 CarbonylContact O-C 3.54Å; L99-G103 WeakPolarHBondContact O-CA 3.49Å; G100-G103 PolarHBondContact O-N 3.1Å; P101-G103 PolarHBondContact O-N 2.86Å; G103-T105 VanDerWaalsContact C-N 3.34Å; G103-T105 PolarHBondContact O-N 2.99Å; G103-A106 PolarHBondContact O-N 3.02Å; G103-K107 WeakPolarHBondContact O-CB 3.27Å; G103-K107 WeakPolarHBondContact O-CD 3.34Å; G103-K107 VanDerWaalsContact O-CG 3.27Å; G103-K107 WeakPolarHBondContact O-CG 3.23Å; G103-K107 PolarHBondContact O-N 3.27Å
104S89.1Confident90.6Very high18 Ų1835.4 Ų35.413%0.12620%0.2CC..Hα-helixtrans-58.2-44.2-176.766.40000112.3L99 P101 K107 C108 E196L99-S104 PolarHBondContact O-N 3.41Å; P101-S104 WeakPolarHBondContact O-CB 3.28Å; P101-S104 PolarHBondContact O-N 2.89Å; P101-S104 PolarHBondContact O-OG 3.41Å; S104-K107 PolarHBondContact O-N 3.17Å; S104-C108 WeakPolarHBondContact O-CB 3.32Å; S104-C108 PolarHBondContact O-N 2.87Å; S104-E196 PolarHBondContact OG-OE2 3.43Å
105T91.5Very high90.7Very high0 Ų035.8 Ų35.80%020%0.202CC..Hα-helixtrans-69.4-45.3-179-580000111.4F55 I98 L99 G103 K107 C108 L109 F175 Q193F55-T105 HydrophobicContact CE1-CG2 3.93Å; F55-T105 HydrophobicContact CZ-CG2 3.56Å; I98-T105 WeakPolarHBondContact O-CB 3.28Å; I98-T105 WeakPolarHBondContact O-CG2 3.39Å; L99-T105 WeakPolarHBondContact O-CB 3.43Å; L99-T105 PolarHBondContact O-N 3.47Å; L99-T105 VanDerWaalsContact O-N 3.07Å; G103-T105 VanDerWaalsContact C-N 3.34Å; G103-T105 PolarHBondContact O-N 2.99Å; T105-K107 VanDerWaalsContact C-N 3.34Å; T105-K107 PolarHBondContact O-N 3.27Å; T105-C108 PolarHBondContact O-N 3.29Å; T105-L109 HydrophobicContact CG2-CD1 3.98Å; T105-L109 HydrophobicContact CG2-CG 4.46Å; T105-L109 WeakPolarHBondContact O-CB 3.31Å; T105-L109 WeakPolarHBondContact O-CG 3.4Å; T105-L109 PolarHBondContact O-N 3.19Å; T105-F175 HydrophobicContact CG2-CZ 4.21Å; T105-Q193 VanDerWaalsContact CG2-NE2 3.34Å; T105-Q193 PolarHBondContact OG1-NE2 2.93Å
106A92.7Very high90.8Very high7 Ų740 Ų406%0.05822%0.218CC..Hα-helixtrans-61.1-42.2175.700000112I98 L99 G103 L109 Q110I98-A106 PolarHBondContact O-N 3.44Å; L99-A106 HydrophobicContact CD2-CB 4.13Å; L99-A106 PolarHBondContact O-N 3.17Å; G103-A106 PolarHBondContact O-N 3.02Å; A106-L109 PolarHBondContact O-N 3.29Å; A106-Q110 WeakPolarHBondContact O-CB 3.27Å; A106-Q110 VanDerWaalsContact O-CG 3.25Å; A106-Q110 WeakPolarHBondContact O-CG 3.12Å; A106-Q110 PolarHBondContact O-N 3.18Å
107K91.8Very high91Very high119 Ų11939.2 Ų39.252%0.51721%0.206SC..Hα-helixtrans-61.8-43.7175.4-73.8164.3-177.7160.70112.1H102 G103 S104 T105 Q110 Q111H102-K107 PolarHBondContact O-NZ 3.08Å; G103-K107 WeakPolarHBondContact O-CB 3.27Å; G103-K107 WeakPolarHBondContact O-CD 3.34Å; G103-K107 VanDerWaalsContact O-CG 3.27Å; G103-K107 WeakPolarHBondContact O-CG 3.23Å; G103-K107 PolarHBondContact O-N 3.27Å; S104-K107 PolarHBondContact O-N 3.17Å; T105-K107 VanDerWaalsContact C-N 3.34Å; T105-K107 PolarHBondContact O-N 3.27Å; K107-Q110 PolarHBondContact O-N 3.49Å; K107-Q111 WeakPolarHBondContact O-CG 3.25Å; K107-Q111 PolarHBondContact O-N 3.01Å
108C89.3Confident91.1Very high1 Ų141.7 Ų41.71%0.00722%0.219CC..Hα-helixtrans-63-48.5176.3-167.70000111.3L48 F55 S104 T105 Q110 Q111 F112L48-C108 HydrophobicContact CD2-CB 4.23Å; F55-C108 HydrophobicContact CE2-CB 3.94Å; S104-C108 WeakPolarHBondContact O-CB 3.32Å; S104-C108 PolarHBondContact O-N 2.87Å; T105-C108 PolarHBondContact O-N 3.29Å; C108-Q110 VanDerWaalsContact C-N 3.34Å; C108-Q110 PolarHBondContact O-N 2.73Å; C108-Q111 PolarHBondContact O-N 3.26Å; C108-F112 WeakPolarHBondContact O-CB 3.43Å; C108-F112 PolarHBondContact O-N 3.26Å
109L90.8Very high91.2Very high4 Ų443 Ų432%0.02123%0.225CC..Hα-helixtrans-59.7-41.7177.4-70.9169.5000112.3F55 I60 T105 A106 F112 L113 I117 F175F55-L109 HydrophobicContact CD1-CD2 4.41Å; F55-L109 HydrophobicContact CE1-CD2 4.5Å; I60-L109 HydrophobicContact CD1-CD2 4.47Å; T105-L109 HydrophobicContact CG2-CD1 3.98Å; T105-L109 HydrophobicContact CG2-CG 4.46Å; T105-L109 WeakPolarHBondContact O-CB 3.31Å; T105-L109 WeakPolarHBondContact O-CG 3.4Å; T105-L109 PolarHBondContact O-N 3.19Å; A106-L109 PolarHBondContact O-N 3.29Å; L109-F112 PolarHBondContact O-N 3.27Å; L109-L113 WeakPolarHBondContact O-CB 3.47Å; L109-L113 WeakPolarHBondContact O-CG 3.29Å; L109-L113 PolarHBondContact O-N 3.49Å; L109-I117 HydrophobicContact CB-CD1 3.81Å; L109-F175 HydrophobicContact CD1-CE1 4.33Å; L109-F175 HydrophobicContact CD1-CZ 4.4Å
110Q92.3Very high91.2Very high62 Ų6242.9 Ų42.929%0.2922%0.22SC..Hα-helixtrans-60.3-47.8174.6-77.7-179.8-123.100112.5A106 K107 C108 G114 V115 I117A106-Q110 WeakPolarHBondContact O-CB 3.27Å; A106-Q110 VanDerWaalsContact O-CG 3.25Å; A106-Q110 WeakPolarHBondContact O-CG 3.12Å; A106-Q110 PolarHBondContact O-N 3.18Å; K107-Q110 PolarHBondContact O-N 3.49Å; C108-Q110 VanDerWaalsContact C-N 3.34Å; C108-Q110 PolarHBondContact O-N 2.73Å; Q110-G114 WeakPolarHBondContact O-CA 3.42Å; Q110-G114 PolarHBondContact O-N 3.14Å; Q110-V115 WeakPolarHBondContact CA-O 3.29Å; Q110-V115 VanDerWaalsContact CB-O 3.29Å; Q110-V115 WeakPolarHBondContact CB-O 3.42Å; Q110-V115 VanDerWaalsContact CG-O 3.32Å; Q110-V115 WeakPolarHBondContact CG-O 3.41Å; Q110-V115 PolarHBondContact O-N 3.38Å; Q110-I117 HydrophobicContact CG-CB 3.8Å; Q110-I117 HydrophobicContact CG-CD1 3.85Å; Q110-I117 HydrophobicContact CG-CG1 3.69Å
111Q88.3Confident91.1Very high131 Ų13142.1 Ų42.161%0.61221%0.212SC*.Hα-helixtrans-64.6-39.2178.4-73.6174.2-15.700112.3K107 C108K107-Q111 WeakPolarHBondContact O-CG 3.25Å; K107-Q111 PolarHBondContact O-N 3.01Å; C108-Q111 PolarHBondContact O-N 3.26Å
112F84.2Confident90.9Very high28 Ų2848.6 Ų48.612%0.12324%0.235CC..Hα-helixtrans-76.8-31-174-170.7-91.8000113.5I60 P62 I63 C108 L109I60-F112 HydrophobicContact CG2-CD1 4.18Å; I60-F112 HydrophobicContact CG2-CE1 3.87Å; I60-F112 WeakPolarHBondContact O-CE1 3.47Å; I60-F112 WeakPolarHBondContact O-CZ 3.16Å; P62-F112 HydrophobicContact CB-CD1 4.19Å; P62-F112 HydrophobicContact CB-CD2 4.09Å; P62-F112 HydrophobicContact CB-CE1 3.94Å; P62-F112 HydrophobicContact CB-CE2 3.83Å; P62-F112 HydrophobicContact CB-CG 4.28Å; P62-F112 HydrophobicContact CB-CZ 3.78Å; P62-F112 VanDerWaalsContact CD-CZ 3.42Å; P62-F112 HydrophobicContact CG-CE1 4.5Å; P62-F112 HydrophobicContact CG-CE2 4.18Å; P62-F112 HydrophobicContact CG-CZ 4Å; I63-F112 PolarHBondContact N-O 2.94Å; C108-F112 WeakPolarHBondContact O-CB 3.43Å; C108-F112 PolarHBondContact O-N 3.26Å; L109-F112 PolarHBondContact O-N 3.27Å
113L88.2Confident90.9Very high3 Ų344.4 Ų44.42%0.01623%0.228CC..Hα-helixtrans-94.5-16.8174.9-61.9174.9000113.2I63 L109 V115 R164 A168 C171 I172I63-L113 HydrophobicContact CD1-CB 4.36Å; I63-L113 HydrophobicContact CD1-CD2 4.04Å; I63-L113 HydrophobicContact CG1-CD2 4.13Å; L109-L113 WeakPolarHBondContact O-CB 3.47Å; L109-L113 WeakPolarHBondContact O-CG 3.29Å; L109-L113 PolarHBondContact O-N 3.49Å; L113-V115 HydrophobicContact CB-CG1 4.21Å; L113-V115 HydrophobicContact CB-CG2 3.94Å; L113-V115 HydrophobicContact CD1-CG2 4.47Å; L113-R164 WeakPolarHBondContact O-CD 3.39Å; L113-A168 HydrophobicContact CB-CB 4.35Å; L113-A168 HydrophobicContact CD1-CB 4.19Å; L113-C171 HydrophobicContact CD1-CB 4.26Å; L113-C171 HydrophobicContact CD2-CB 3.89Å; L113-I172 HydrophobicContact CD1-CD1 3.97Å; L113-I172 HydrophobicContact CD1-CG1 4.02Å
114G88.9Confident90.8Very high43 Ų4344.8 Ų44.844%0.44323%0.228SC..THydrogen-bonded Turntrans69.734.5-17500000113.3Q110 R164Q110-G114 WeakPolarHBondContact O-CA 3.42Å; Q110-G114 PolarHBondContact O-N 3.14Å; G114-R164 VanDerWaalsContact O-CD 3.28Å; G114-R164 WeakPolarHBondContact O-CD 3.5Å
115V93.7Very high90.8Very high11 Ų1146.6 Ų46.67%0.06724%0.235CC..SBendtrans-132.1159.4-175.7-48.90000111.3Q110 L113 I117 I152 V154 R164 A168Q110-V115 WeakPolarHBondContact CA-O 3.29Å; Q110-V115 VanDerWaalsContact CB-O 3.29Å; Q110-V115 WeakPolarHBondContact CB-O 3.42Å; Q110-V115 VanDerWaalsContact CG-O 3.32Å; Q110-V115 WeakPolarHBondContact CG-O 3.41Å; Q110-V115 PolarHBondContact O-N 3.38Å; L113-V115 HydrophobicContact CB-CG1 4.21Å; L113-V115 HydrophobicContact CB-CG2 3.94Å; L113-V115 HydrophobicContact CD1-CG2 4.47Å; V115-I117 HydrophobicContact CG2-CD1 4.44Å; V115-I117 HydrophobicContact CG2-CG1 3.91Å; V115-I152 HydrophobicContact CB-CG2 3.92Å; V115-I152 HydrophobicContact CG1-CG2 4.32Å; V115-I152 HydrophobicContact CG2-CG2 3.85Å; V115-V154 HydrophobicContact CB-CG2 4.01Å; V115-V154 HydrophobicContact CG1-CG2 3.61Å; V115-R164 HydrophobicContact CG1-CG 3.94Å; V115-A168 HydrophobicContact CG1-CB 3.67Å; V115-A168 HydrophobicContact CG2-CB 4.25Å
116K94.9Very high90.5Very high120 Ų12058.1 Ų58.152%0.52228%0.279SS..EExtended strand (participates in β ladder)trans-100.8118173.2168.5-177.4174.9-175.20109.6M118 T153K116-M118 HydrophobicContact CG-CG 4.42Å; K116-T153 VanDerWaalsContact CB-OG1 3.27Å; K116-T153 WeakPolarHBondContact CB-OG1 3.44Å; K116-T153 WeakPolarHBondContact CG-OG1 3.46Å; K116-T153 PolarHBondContact N-O 2.97Å; K116-T153 PolarHBondContact O-N 2.96Å; K116-T153 PolarHBondContact O-OG1 3.39Å
117I95.1Very high90Very high14 Ų1460.6 Ų60.67%0.07229%0.291CS..EExtended strand (participates in β ladder)trans-100.1134.3-176.6-60.1174.3000108.7L109 Q110 V115 V150 I172L109-I117 HydrophobicContact CB-CD1 3.81Å; Q110-I117 HydrophobicContact CG-CB 3.8Å; Q110-I117 HydrophobicContact CG-CD1 3.85Å; Q110-I117 HydrophobicContact CG-CG1 3.69Å; V115-I117 HydrophobicContact CG2-CD1 4.44Å; V115-I117 HydrophobicContact CG2-CG1 3.91Å; I117-V150 HydrophobicContact CG2-CG1 3.66Å; I117-I172 HydrophobicContact CD1-CD1 3.75Å; I117-I172 HydrophobicContact CG1-CD1 4.02Å
118M94.3Very high89.1Confident60 Ų6062 Ų6230%0.29630%0.299SS..EExtended strand (participates in β ladder)trans-137.3140.3175.1-55.3-173.373.600110.1K116 V150 L151K116-M118 HydrophobicContact CG-CG 4.42Å; M118-V150 WeakPolarHBondContact O-CA 3.35Å; M118-L151 HydrophobicContact CB-CB 4.39Å; M118-L151 PolarHBondContact N-O 3.43Å; M118-L151 PolarHBondContact O-N 3.09Å
119I94.5Very high88.2Confident32 Ų3268 Ų6816%0.16434%0.337CS..EExtended strand (participates in β ladder)trans-98.5132175.1-55.9179.6000108.6M84 V95 I98 L99 L148M84-I119 HydrophobicContact CE-CG2 4.33Å; V95-I119 HydrophobicContact CG1-CD1 3.97Å; V95-I119 HydrophobicContact CG1-CG2 4.49Å; V95-I119 HydrophobicContact CG2-CG2 4.23Å; I98-I119 HydrophobicContact CB-CD1 4.19Å; I98-I119 HydrophobicContact CD1-CD1 4.43Å; I98-I119 HydrophobicContact CG2-CD1 4.17Å; L99-I119 HydrophobicContact CD1-CD1 4.31Å; L99-I119 HydrophobicContact CD2-CD1 3.97Å; L99-I119 HydrophobicContact CG-CD1 3.86Å; I119-L148 HydrophobicContact CG2-CD1 4.16Å
120R93.1Very high87.1Confident69 Ų6973.1 Ų73.126%0.2636%0.359SS..EExtended strand (participates in β ladder)trans-143.3175.5-171.2-66.7-65.7-178.280.4-15.6109.9H149 L151R120-H149 WeakPolarHBondContact CB-NE2 3.32Å; R120-H149 PolarHBondContact N-O 3.48Å; R120-H149 PolarHBondContact O-N 2.96Å; R120-L151 HydrophobicContact CG-CB 4.31Å
121G91Very high85.7Confident0 Ų072.3 Ų72.30%036%0.358CS..SBendtrans89.4172.4-174.300000115.3G123 S124 H143 D146 N147G121-G123 PolarHBondContact O-N 3.44Å; G121-S124 VanDerWaalsContact O-CB 3.26Å; G121-S124 WeakPolarHBondContact O-CB 3.36Å; G121-S124 PolarHBondContact O-N 2.87Å; G121-S124 VanDerWaalsContact O-N 3.14Å; G121-S124 PolarHBondContact O-OG 3.29Å; G121-H143 CarbonylContact C-O 3.58Å; G121-H143 WeakPolarHBondContact CA-O 3.46Å; G121-H143 PolarHBondContact N-O 3.28Å; G121-D146 CarbonylContact C-O 3.08Å; G121-D146 WeakPolarHBondContact CA-O 3.47Å; G121-N147 VanDerWaalsContact CA-O 3.29Å; G121-N147 WeakPolarHBondContact CA-O 3.44Å
122R87.3Confident84.3Confident149 Ų14968.5 Ų68.556%0.56235%0.354SS*.THydrogen-bonded Turntrans-51.3131.9169.6-74.9-177-74.3-176.72110.5S124 L144 N145 D146 N147 L148R122-S124 VanDerWaalsContact C-N 3.32Å; R122-S124 PolarHBondContact O-N 3.22Å; R122-L144 WeakPolarHBondContact CG-O 3.38Å; R122-N145 PolarHBondContact NE-O 2.88Å; R122-D146 WeakPolarHBondContact CG-O 3.46Å; R122-D146 PolarHBondContact N-O 3.33Å; R122-N147 PolarHBondContact NH2-OD1 2.91Å; R122-L148 WeakPolarHBondContact O-CB 3.49Å; R122-L148 WeakPolarHBondContact O-CD1 3.43Å
123G86.6Confident83.2Confident45 Ų4570.8 Ų70.846%0.46438%0.377SS..THydrogen-bonded Turntrans791.6-178.300000116G121 M125G121-G123 PolarHBondContact O-N 3.44Å; G123-M125 PolarHBondContact O-N 2.86Å
124S90.2Very high81.7Confident25 Ų2573.4 Ų73.418%0.17539%0.391CS..  trans-68.4-21.5173.759.50000113.8G121 R122G121-S124 VanDerWaalsContact O-CB 3.26Å; G121-S124 WeakPolarHBondContact O-CB 3.36Å; G121-S124 PolarHBondContact O-N 2.87Å; G121-S124 VanDerWaalsContact O-N 3.14Å; G121-S124 PolarHBondContact O-OG 3.29Å; R122-S124 VanDerWaalsContact C-N 3.32Å; R122-S124 PolarHBondContact O-N 3.22Å
125M87.1Confident80.2Confident55 Ų5577 Ų7727%0.27140%0.399SS..SBendtrans-90134.3173.3-70.6-177.461.800111.6G123 K130 V131 L144G123-M125 PolarHBondContact O-N 2.86Å; M125-K130 HydrophobicContact CE-CB 3.94Å; M125-V131 HydrophobicContact CB-CG2 4.42Å; M125-V131 HydrophobicContact SD-CG2 3.93Å; M125-L144 HydrophobicContact CG-CD2 4.38Å; M125-L144 HydrophobicContact SD-CD1 3.81Å; M125-L144 HydrophobicContact SD-CD2 4.41Å
126R86.3Confident78.4Confident242 Ų24282.6 Ų82.691%0.91343%0.433SS*.SBendtrans-60.3-43.9173.8-177.5-177.9-180167.3-0.2112.6Q128R126-Q128 PolarHBondContact O-N 2.86Å
127D82.1Confident76.8Confident59 Ų5982.9 Ų82.932%0.31643%0.431SS..  trans-100.287.5-172.9-57.4-12.5000109.1T129 K130D127-T129 PolarHBondContact O-N 3.46Å; D127-K130 HydrophobicContact CB-CB 4.34Å; D127-K130 HydrophobicContact CB-CD 3.83Å; D127-K130 HydrophobicContact CB-CG 4Å; D127-K130 PolarHBondContact O-N 3.46Å; D127-K130 WeakPolarHBondContact OD2-CE 3.33Å; D127-K130 IonicContact OD2-NZ 2.69Å; D127-K130 PolarHBondContact OD2-NZ 3.23Å
128Q73.3Confident75Confident148 Ų14887.9 Ų87.969%0.69246%0.464SS*.THydrogen-bonded Turntrans-60-29.3-177.4-63-174.111.500112.8R126 K130 V131R126-Q128 PolarHBondContact O-N 2.86Å; Q128-K130 PolarHBondContact O-N 2.99Å; Q128-V131 VanDerWaalsContact O-CB 3.28Å; Q128-V131 WeakPolarHBondContact O-CB 3.42Å; Q128-V131 WeakPolarHBondContact O-CG2 3.44Å; Q128-V131 PolarHBondContact O-N 3.42Å; Q128-V131 VanDerWaalsContact O-N 3.08Å
129T70.4Confident73.3Confident129 Ų12992.3 Ų92.379%0.79149%0.489SS*.Hα-helixtrans-60.5-28.4174.450.50000113.5D127 V131D127-T129 PolarHBondContact O-N 3.46Å; T129-V131 VanDerWaalsContact C-N 3.32Å
130K68.1Low71.5Confident111 Ų11193.4 Ų93.448%0.48350%0.5SS..Hα-helixtrans-78.3-16177.2-66.1179.7-177.5159.80113.1M125 D127 Q128 G132 A133 N134M125-K130 HydrophobicContact CE-CB 3.94Å; D127-K130 HydrophobicContact CB-CB 4.34Å; D127-K130 HydrophobicContact CB-CD 3.83Å; D127-K130 HydrophobicContact CB-CG 4Å; D127-K130 PolarHBondContact O-N 3.46Å; D127-K130 WeakPolarHBondContact OD2-CE 3.33Å; D127-K130 IonicContact OD2-NZ 2.69Å; D127-K130 PolarHBondContact OD2-NZ 3.23Å; Q128-K130 PolarHBondContact O-N 2.99Å; K130-G132 PolarHBondContact O-N 3.07Å; K130-A133 PolarHBondContact O-N 3.32Å; K130-N134 VanDerWaalsContact O-CG 3.31Å; K130-N134 PolarHBondContact O-N 2.99Å; K130-N134 PolarHBondContact O-ND2 3.43Å
131V62Low70Confident45 Ų4591.2 Ų91.227%0.27349%0.492SS..Hα-helixtrans-60.2-48.1177.11770000110.1M125 Q128 T129 A133 N134 I135 L144M125-V131 HydrophobicContact CB-CG2 4.42Å; M125-V131 HydrophobicContact SD-CG2 3.93Å; Q128-V131 VanDerWaalsContact O-CB 3.28Å; Q128-V131 WeakPolarHBondContact O-CB 3.42Å; Q128-V131 WeakPolarHBondContact O-CG2 3.44Å; Q128-V131 PolarHBondContact O-N 3.42Å; Q128-V131 VanDerWaalsContact O-N 3.08Å; T129-V131 VanDerWaalsContact C-N 3.32Å; V131-A133 VanDerWaalsContact C-N 3.29Å; V131-A133 PolarHBondContact O-N 2.8Å; V131-N134 PolarHBondContact O-N 3.45Å; V131-N134 VanDerWaalsContact O-N 3.15Å; V131-I135 WeakPolarHBondContact O-CG1 3.38Å; V131-L144 HydrophobicContact CG1-CD1 3.97Å; V131-L144 HydrophobicContact CG2-CD1 4.33Å
132G59Low69.2Low51 Ų5199.2 Ų99.253%0.52653%0.53SS..Hα-helixtrans-62.5-31.2-179.800000114.5K130K130-G132 PolarHBondContact O-N 3.07Å
133A60.1Low69Low75 Ų7594.6 Ų94.662%0.6251%0.514SS*.Hα-helixtrans-76.3-25.1177.400000113.3K130 V131K130-A133 PolarHBondContact O-N 3.32Å; V131-A133 VanDerWaalsContact C-N 3.29Å; V131-A133 PolarHBondContact O-N 2.8Å
134N57.6Low68.9Low58 Ų5893.1 Ų93.131%0.3150%0.496SS..Hα-helixtrans-78-34.8-176.5-72.7-21.3000113K130 V131 V136 R137 E141K130-N134 VanDerWaalsContact O-CG 3.31Å; K130-N134 PolarHBondContact O-N 2.99Å; K130-N134 PolarHBondContact O-ND2 3.43Å; V131-N134 PolarHBondContact O-N 3.45Å; V131-N134 VanDerWaalsContact O-N 3.15Å; N134-V136 PolarHBondContact O-N 3.38Å; N134-R137 PolarHBondContact O-N 2.94Å; N134-E141 HydrophobicContact CB-CG 3.87Å
135I57.6Low68.7Low119 Ų11998.1 Ų98.161%0.6152%0.52SS*.THydrogen-bonded Turntrans-41.4-25.2-170.5-67171.7000115.3V131 R137 E141V131-I135 WeakPolarHBondContact O-CG1 3.38Å; I135-R137 PolarHBondContact O-N 3.23Å; I135-E141 VanDerWaalsContact CA-OE2 3.27Å; I135-E141 WeakPolarHBondContact CA-OE2 3.48Å; I135-E141 PolarHBondContact N-OE2 2.98Å
136V55.6Low68.8Low129 Ų12997.2 Ų97.278%0.78252%0.517SS*.THydrogen-bonded Turntrans-58.7-18173.6-170.30000113.4N134N134-V136 PolarHBondContact O-N 3.38Å
137R61.9Low69Low126 Ų12689.8 Ų89.848%0.47550%0.495SS..  trans-98.3110.4-178.5-69.9-174.7172.8-133.30.2112.6N134 I135 N139 S140N134-R137 PolarHBondContact O-N 2.94Å; I135-R137 PolarHBondContact O-N 3.23Å; R137-N139 VanDerWaalsContact C-N 3.3Å; R137-N139 PolarHBondContact O-N 3.4Å; R137-N139 VanDerWaalsContact O-N 3.09Å; R137-S140 WeakPolarHBondContact CB-OG 3.41Å
138P56.1Low69.5Low118 Ų11888.2 Ų88.277%0.76649%0.487SS*.THydrogen-bonded Turntrans-64.9-25-165.524.1-35000115.7
139N59.3Low70.4Confident154 Ų15481.3 Ų81.382%0.82446%0.455SS*.THydrogen-bonded Turntrans-108.5-13.7-171.4-67.23.1000114.5R137R137-N139 VanDerWaalsContact C-N 3.3Å; R137-N139 PolarHBondContact O-N 3.4Å; R137-N139 VanDerWaalsContact O-N 3.09Å
140S56.8Low71.6Confident54 Ų5475.2 Ų75.238%0.37842%0.417SS..THydrogen-bonded Turntrans-91.3-27.8-172.333.60000114.4R137 H143R137-S140 WeakPolarHBondContact CB-OG 3.41Å; S140-H143 PolarHBondContact O-CD2 3.27Å
141E61.2Low72.9Confident24 Ų2470.6 Ų70.611%0.11240%0.397CS..SBendtrans-111.69.3-173.9-58.190.7-12500116.3N134 I135 H143 L144N134-E141 HydrophobicContact CB-CG 3.87Å; I135-E141 VanDerWaalsContact CA-OE2 3.27Å; I135-E141 WeakPolarHBondContact CA-OE2 3.48Å; I135-E141 PolarHBondContact N-OE2 2.98Å; E141-H143 PolarHBondContact O-N 3.43Å; E141-L144 HydrophobicContact CB-CB 4.25Å; E141-L144 HydrophobicContact CB-CD1 3.86Å; E141-L144 HydrophobicContact CB-CG 4.14Å; E141-L144 HydrophobicContact CG-CD1 3.64Å; E141-L144 HydrophobicContact CG-CG 4.37Å; E141-L144 WeakPolarHBondContact O-CB 3.45Å; E141-L144 PolarHBondContact O-N 2.88Å
142Q74.8Confident74.5Confident167 Ų16768.4 Ų68.478%0.7838%0.384SS*.G310 helixtrans-55.4-29.6174.6-163.8-176.126.600111.7L144Q142-L144 VanDerWaalsContact C-N 3.31Å; Q142-L144 PolarHBondContact O-N 3.02Å
143H83.3Confident76.2Confident52 Ų5266.7 Ų66.724%0.24136%0.364CS..G310 helixtrans-73.8-10.8174.384.769.2000115.2G121 S140 E141G121-H143 CarbonylContact C-O 3.58Å; G121-H143 WeakPolarHBondContact CA-O 3.46Å; G121-H143 PolarHBondContact N-O 3.28Å; S140-H143 PolarHBondContact O-CD2 3.27Å; E141-H143 PolarHBondContact O-N 3.43Å
144L84.5Confident77.9Confident15 Ų1563.2 Ų63.28%0.07934%0.335CS..G310 helixtrans-87.4-8.9177.5-67.3-177000112.6R122 M125 V131 E141 Q142R122-L144 WeakPolarHBondContact CG-O 3.38Å; M125-L144 HydrophobicContact CG-CD2 4.38Å; M125-L144 HydrophobicContact SD-CD1 3.81Å; M125-L144 HydrophobicContact SD-CD2 4.41Å; V131-L144 HydrophobicContact CG1-CD1 3.97Å; V131-L144 HydrophobicContact CG2-CD1 4.33Å; E141-L144 HydrophobicContact CB-CB 4.25Å; E141-L144 HydrophobicContact CB-CD1 3.86Å; E141-L144 HydrophobicContact CB-CG 4.14Å; E141-L144 HydrophobicContact CG-CD1 3.64Å; E141-L144 HydrophobicContact CG-CG 4.37Å; E141-L144 WeakPolarHBondContact O-CB 3.45Å; E141-L144 PolarHBondContact O-N 2.88Å; Q142-L144 VanDerWaalsContact C-N 3.31Å; Q142-L144 PolarHBondContact O-N 3.02Å
145N85.1Confident79.6Confident129 Ų12966.7 Ų66.769%0.6935%0.349SS*.SBendtrans-84.6-24.1168.7-65.7-24.9000112.1R122R122-N145 PolarHBondContact NE-O 2.88Å
146D89.4Confident81.3Confident37 Ų3761.8 Ų61.820%0.19832%0.324CS..SBendtrans-69.3162.8179.8-157.1-15.6000112.3K81 G121 R122 H149K81-D146 IonicContact NZ-OD2 3.68Å; K81-D146 PolarHBondContact NZ-OD2 3.46Å; G121-D146 CarbonylContact C-O 3.08Å; G121-D146 WeakPolarHBondContact CA-O 3.47Å; R122-D146 WeakPolarHBondContact CG-O 3.46Å; R122-D146 PolarHBondContact N-O 3.33Å; D146-H149 IonicContact OD2-CE1 3.31Å; D146-H149 PolarHBondContact OD2-CE1 3Å; D146-H149 IonicContact OD2-ND1 3.15Å; D146-H149 IonicContact OD2-NE2 3.2Å
147N90.1Very high83.1Confident86 Ų8659.4 Ų59.446%0.4630%0.301SS..PPolyproline II helixtrans-71.6154.2173-73.3-19000111.3Y83 G121 R122 H149Y83-N147 HydrophobicContact CD1-CB 3.85Å; Y83-N147 HydrophobicContact CE1-CB 4.1Å; G121-N147 VanDerWaalsContact CA-O 3.29Å; G121-N147 WeakPolarHBondContact CA-O 3.44Å; R122-N147 PolarHBondContact NH2-OD1 2.91Å; N147-H149 PolarHBondContact O-N 3Å; N147-H149 VanDerWaalsContact O-N 3.15Å; N147-H149 PolarHBondContact O-ND1 2.71Å
148L92.5Very high84.6Confident26 Ų2656.6 Ų56.614%0.13629%0.294CS..SBendtrans-57.2118.3179.7-173.466.2000110.3M84 M86 V95 I119 R122M84-L148 HydrophobicContact CB-CD2 4.37Å; M84-L148 HydrophobicContact CE-CG 4.26Å; M84-L148 HydrophobicContact CG-CB 4.2Å; M84-L148 HydrophobicContact CG-CD2 3.71Å; M84-L148 HydrophobicContact CG-CG 3.63Å; M84-L148 PolarHBondContact N-O 3.48Å; M86-L148 HydrophobicContact SD-CD2 4.11Å; V95-L148 HydrophobicContact CG2-CD1 4.05Å; V95-L148 HydrophobicContact CG2-CD2 4.02Å; I119-L148 HydrophobicContact CG2-CD1 4.16Å; R122-L148 WeakPolarHBondContact O-CB 3.49Å; R122-L148 WeakPolarHBondContact O-CD1 3.43Å
149H93.1Very high86.3Confident3 Ų354.9 Ų54.91%0.01428%0.278CS..EExtended strand (participates in β ladder)trans-144.6154-175.565.7-91.8000113.2I82 Y83 R120 D146 N147I82-H149 CarbonylContact O-C 3.5Å; I82-H149 WeakPolarHBondContact O-CA 3.45Å; I82-H149 VanDerWaalsContact O-CB 3.3Å; I82-H149 WeakPolarHBondContact O-CB 3.47Å; Y83-H149 HydrophobicContact CD1-CB 3.78Å; Y83-H149 HydrophobicContact CE1-CB 4.13Å; Y83-H149 HydrophobicContact CG-CB 4.42Å; R120-H149 WeakPolarHBondContact CB-NE2 3.32Å; R120-H149 PolarHBondContact N-O 3.48Å; R120-H149 PolarHBondContact O-N 2.96Å; D146-H149 IonicContact OD2-CE1 3.31Å; D146-H149 PolarHBondContact OD2-CE1 3Å; D146-H149 IonicContact OD2-ND1 3.15Å; D146-H149 IonicContact OD2-NE2 3.2Å; N147-H149 PolarHBondContact O-N 3Å; N147-H149 VanDerWaalsContact O-N 3.15Å; N147-H149 PolarHBondContact O-ND1 2.71Å
150V95.2Very high87.8Confident1 Ų148.3 Ų48.31%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-88126.3161.7-173.20000108.1I82 M84 I98 I117 M118 I152 I172 L176I82-V150 PolarHBondContact N-O 2.96Å; I82-V150 PolarHBondContact O-N 2.81Å; M84-V150 HydrophobicContact CE-CG2 3.55Å; M84-V150 HydrophobicContact SD-CG2 4.07Å; I98-V150 HydrophobicContact CD1-CG2 3.71Å; I117-V150 HydrophobicContact CG2-CG1 3.66Å; M118-V150 WeakPolarHBondContact O-CA 3.35Å; V150-I152 HydrophobicContact CG1-CG1 4.27Å; V150-I172 HydrophobicContact CB-CG2 4.48Å; V150-I172 HydrophobicContact CG1-CG2 4.35Å; V150-I172 HydrophobicContact CG2-CG2 4.37Å; V150-L176 HydrophobicContact CG2-CD1 4.46Å
151L95.2Very high89.5Confident13 Ų1345.7 Ų45.77%0.06822%0.224CC..EExtended strand (participates in β ladder)trans-97.4115.2166.7-177.769.9000108Q79 K81 M118 R120 T153Q79-L151 HydrophobicContact CB-CD1 4.17Å; K81-L151 HydrophobicContact CG-CD1 4.09Å; M118-L151 HydrophobicContact CB-CB 4.39Å; M118-L151 PolarHBondContact N-O 3.43Å; M118-L151 PolarHBondContact O-N 3.09Å; R120-L151 HydrophobicContact CG-CB 4.31Å; L151-T153 HydrophobicContact CD2-CG2 4.21Å; L151-T153 HydrophobicContact CG-CG2 4.02Å
152I96.1Very high91Very high0 Ų049.4 Ų49.40%024%0.24CC..EExtended strand (participates in β ladder)trans-94.1134.2170.7-55.2171.5000107.6Q79 A80 I82 V115 V150 V154 L165 A168 I172Q79-I152 VanDerWaalsContact CA-O 3.26Å; Q79-I152 WeakPolarHBondContact CA-O 2.95Å; A80-I152 PolarHBondContact N-O 3.14Å; A80-I152 PolarHBondContact O-N 3.24Å; I82-I152 HydrophobicContact CD1-CD1 3.53Å; I82-I152 HydrophobicContact CD1-CG1 4.42Å; I82-I152 HydrophobicContact CG1-CD1 4.44Å; V115-I152 HydrophobicContact CB-CG2 3.92Å; V115-I152 HydrophobicContact CG1-CG2 4.32Å; V115-I152 HydrophobicContact CG2-CG2 3.85Å; V150-I152 HydrophobicContact CG1-CG1 4.27Å; I152-V154 HydrophobicContact CG2-CG2 4.21Å; I152-L165 HydrophobicContact CB-CD1 4.12Å; I152-L165 HydrophobicContact CG2-CD1 3.82Å; I152-A168 HydrophobicContact CG2-CB 4.42Å; I152-I172 HydrophobicContact CD1-CB 4.38Å; I152-I172 HydrophobicContact CD1-CD1 3.57Å; I152-I172 HydrophobicContact CG1-CD1 3.82Å
153T95.5Very high91.9Very high14 Ų1443.4 Ų43.49%0.08621%0.214CC..EExtended strand (participates in β ladder)trans-128.5134.9176.757.90000110.3L78 Q79 K116 L151L78-T153 WeakPolarHBondContact O-CA 3.28Å; Q79-T153 HydrophobicContact CB-CG2 4.27Å; Q79-T153 HydrophobicContact CG-CG2 3.77Å; K116-T153 VanDerWaalsContact CB-OG1 3.27Å; K116-T153 WeakPolarHBondContact CB-OG1 3.44Å; K116-T153 WeakPolarHBondContact CG-OG1 3.46Å; K116-T153 PolarHBondContact N-O 2.97Å; K116-T153 PolarHBondContact O-N 2.96Å; K116-T153 PolarHBondContact O-OG1 3.39Å; L151-T153 HydrophobicContact CD2-CG2 4.21Å; L151-T153 HydrophobicContact CG-CG2 4.02Å
154V95.1Very high92.3Very high2 Ų242.1 Ų42.11%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-135120.7-173.7-1790000110.2N77 L78 V115 I152 A161 R164 L165N77-V154 WeakPolarHBondContact CA-O 3.35Å; L78-V154 PolarHBondContact N-O 3.19Å; L78-V154 PolarHBondContact O-N 3.23Å; V115-V154 HydrophobicContact CB-CG2 4.01Å; V115-V154 HydrophobicContact CG1-CG2 3.61Å; I152-V154 HydrophobicContact CG2-CG2 4.21Å; V154-A161 HydrophobicContact CG1-CB 4.23Å; V154-R164 HydrophobicContact CG1-CB 4.31Å; V154-R164 HydrophobicContact CG1-CG 4.49Å; V154-L165 HydrophobicContact CG2-CB 4.17Å; V154-L165 HydrophobicContact CG2-CD1 3.77Å
155E93.8Very high92.8Very high132 Ų13241.7 Ų41.762%0.61721%0.205SC*.EExtended strand (participates in β ladder)trans-102.4111.1168.8-171-161.6136.800109.2K75K75-E155 IonicContact NZ-OE1 2.72Å; K75-E155 PolarHBondContact NZ-OE1 2.91Å
156D92.5Very high93.1Very high15 Ų1541.8 Ų41.88%0.0820%0.201CC..EExtended strand (participates in β ladder)trans-160.3179.4170.8-148.6-50.9000108.8K75 V76 R160 A161 R164K75-D156 WeakPolarHBondContact CA-O 3.33Å; V76-D156 PolarHBondContact N-O 2.96Å; V76-D156 PolarHBondContact O-N 3.05Å; D156-R160 HydrophobicContact CB-CB 4.25Å; D156-R160 WeakPolarHBondContact OD1-CD 3.43Å; D156-R160 IonicContact OD1-CZ 2.79Å; D156-R160 IonicContact OD1-NE 2.8Å; D156-R160 PolarHBondContact OD1-NE 3.21Å; D156-R160 IonicContact OD1-NH2 2.61Å; D156-R160 IonicContact OD2-CZ 3Å; D156-R160 IonicContact OD2-NE 3.65Å; D156-R160 PolarHBondContact OD2-NE 3.17Å; D156-R160 IonicContact OD2-NH2 2.93Å; D156-R160 PolarHBondContact OD2-NH2 3.28Å; D156-A161 HydrophobicContact CB-CB 4.06Å; D156-R164 IonicContact OD2-CZ 2.69Å; D156-R164 IonicContact OD2-NH1 2.66Å; D156-R164 PolarHBondContact OD2-NH1 3.05Å; D156-R164 IonicContact OD2-NH2 3.23Å; D156-R164 PolarHBondContact OD2-NH2 2.88Å
157Y93.9Very high93.2Very high79 Ų7942.8 Ų42.831%0.3120%0.204SC..EExtended strand (participates in β ladder)trans-57.3139.9166.5-69.1-88.3000111P71 D72 G73 P74 K75 N159 R160 A161P71-Y157 HydrophobicContact CB-CD1 4.16Å; P71-Y157 HydrophobicContact CB-CD2 3.64Å; P71-Y157 HydrophobicContact CB-CE1 4.19Å; P71-Y157 HydrophobicContact CB-CE2 3.7Å; P71-Y157 HydrophobicContact CB-CG 3.9Å; P71-Y157 HydrophobicContact CG-CD2 4.21Å; P71-Y157 HydrophobicContact CG-CE2 4.26Å; D72-Y157 WeakPolarHBondContact O-CB 3.26Å; G73-Y157 VanDerWaalsContact O-CD1 3.25Å; G73-Y157 WeakPolarHBondContact O-CD1 3.27Å; G73-Y157 WeakPolarHBondContact O-CE1 3.43Å; P74-Y157 WeakPolarHBondContact O-CA 3.02Å; K75-Y157 HydrophobicContact CG-CE2 4.4Å; Y157-N159 VanDerWaalsContact C-N 3.3Å; Y157-N159 PolarHBondContact O-N 3.5Å; Y157-N159 VanDerWaalsContact O-N 3.1Å; Y157-R160 CarbonylContact O-C 3.56Å; Y157-R160 WeakPolarHBondContact O-CA 3.44Å; Y157-R160 WeakPolarHBondContact O-CB 3.18Å; Y157-R160 PolarHBondContact O-N 2.83Å; Y157-A161 WeakPolarHBondContact O-CB 3.49Å; Y157-A161 PolarHBondContact O-N 3.38Å
158E92.5Very high93.4Very high67 Ų6738.7 Ų38.731%0.31318%0.182SC..Hα-helixtrans-49.9-46.3-169-170.2-171.6148.100114.2P74 V76 R160 A161 K162P74-E158 PolarHBondContact O-N 3.24Å; V76-E158 HydrophobicContact CG1-CB 4.39Å; V76-E158 HydrophobicContact CG2-CB 3.84Å; V76-E158 HydrophobicContact CG2-CG 4.11Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 3.39Å; E158-A161 PolarHBondContact O-N 3.48Å; E158-K162 HydrophobicContact CG-CD 4.34Å; E158-K162 WeakPolarHBondContact O-CG 3.5Å; E158-K162 PolarHBondContact O-N 3.39Å; E158-K162 VanDerWaalsContact O-N 3.11Å; E158-K162 WeakPolarHBondContact OE1-CE 3.2Å; E158-K162 IonicContact OE1-NZ 3.96Å; E158-K162 PolarHBondContact OE1-NZ 3.02Å
159N91.5Very high93.4Very high82 Ų8238.1 Ų38.144%0.43918%0.18SC..Hα-helixtrans-64.7-33.6-178.8-145.4-15.7000112.1P69 Y157P69-N159 HydrophobicContact CG-CB 4.4Å; P69-N159 WeakPolarHBondContact CG-O 3.24Å; Y157-N159 VanDerWaalsContact C-N 3.3Å; Y157-N159 PolarHBondContact O-N 3.5Å; Y157-N159 VanDerWaalsContact O-N 3.1Å
160R92.8Very high93.3Very high16 Ų1642.9 Ų42.96%0.0620%0.202CC..Hα-helixtrans-81.4-39.4175.7-69.216850.2100.2-3112.5E65 P69 D156 Y157 E158 K162 V163 R164E65-R160 IonicContact OE1-CZ 2.71Å; E65-R160 VanDerWaalsContact OE1-CZ 3.23Å; E65-R160 IonicContact OE1-NH1 2.68Å; E65-R160 PolarHBondContact OE1-NH1 3Å; E65-R160 IonicContact OE1-NH2 3.71Å; E65-R160 PolarHBondContact OE1-NH2 3.44Å; E65-R160 IonicContact OE2-CZ 2.81Å; E65-R160 IonicContact OE2-NH1 3.92Å; E65-R160 IonicContact OE2-NH2 2.64Å; E65-R160 PolarHBondContact OE2-NH2 3.02Å; P69-R160 HydrophobicContact CG-CG 3.84Å; P69-R160 WeakPolarHBondContact O-CD 3.5Å; P69-R160 WeakPolarHBondContact O-CG 3.39Å; P69-R160 PolarHBondContact O-NH1 3.24Å; D156-R160 HydrophobicContact CB-CB 4.25Å; D156-R160 WeakPolarHBondContact OD1-CD 3.43Å; D156-R160 IonicContact OD1-CZ 2.79Å; D156-R160 IonicContact OD1-NE 2.8Å; D156-R160 PolarHBondContact OD1-NE 3.21Å; D156-R160 IonicContact OD1-NH2 2.61Å; D156-R160 IonicContact OD2-CZ 3Å; D156-R160 IonicContact OD2-NE 3.65Å; D156-R160 PolarHBondContact OD2-NE 3.17Å; D156-R160 IonicContact OD2-NH2 2.93Å; D156-R160 PolarHBondContact OD2-NH2 3.28Å; Y157-R160 CarbonylContact O-C 3.56Å; Y157-R160 WeakPolarHBondContact O-CA 3.44Å; Y157-R160 WeakPolarHBondContact O-CB 3.18Å; Y157-R160 PolarHBondContact O-N 2.83Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 3.39Å; R160-K162 PolarHBondContact O-N 2.71Å; R160-V163 PolarHBondContact O-N 2.79Å; R160-R164 PolarHBondContact O-N 3.43Å
161A92.5Very high93.1Very high0 Ų043.4 Ų43.40%021%0.206CC..Hα-helixtrans-62.7-42.6-177.900000111.1V76 L78 V154 D156 Y157 E158 R164 L165V76-A161 HydrophobicContact CG2-CB 4.13Å; L78-A161 HydrophobicContact CD1-CB 3.63Å; L78-A161 HydrophobicContact CG-CB 3.98Å; V154-A161 HydrophobicContact CG1-CB 4.23Å; D156-A161 HydrophobicContact CB-CB 4.06Å; Y157-A161 WeakPolarHBondContact O-CB 3.49Å; Y157-A161 PolarHBondContact O-N 3.38Å; E158-A161 PolarHBondContact O-N 3.48Å; A161-R164 PolarHBondContact O-N 3.45Å; A161-L165 WeakPolarHBondContact O-CB 3.35Å; A161-L165 PolarHBondContact O-N 2.8Å
162K92.8Very high92.9Very high102 Ų10243.1 Ų43.144%0.44320%0.204SC..Hα-helixtrans-56.9-54.8174.3-74.3169.7171.1171.80111.7L78 E158 R160 R164 L165 E166L78-K162 HydrophobicContact CD1-CG 3.74Å; E158-K162 HydrophobicContact CG-CD 4.34Å; E158-K162 WeakPolarHBondContact O-CG 3.5Å; E158-K162 PolarHBondContact O-N 3.39Å; E158-K162 VanDerWaalsContact O-N 3.11Å; E158-K162 WeakPolarHBondContact OE1-CE 3.2Å; E158-K162 IonicContact OE1-NZ 3.96Å; E158-K162 PolarHBondContact OE1-NZ 3.02Å; R160-K162 PolarHBondContact O-N 2.71Å; K162-R164 PolarHBondContact O-N 2.64Å; K162-L165 PolarHBondContact O-N 3.02Å; K162-E166 WeakPolarHBondContact O-CB 3.49Å; K162-E166 PolarHBondContact O-N 2.7Å
163V92.5Very high92.6Very high41 Ų4144 Ų4425%0.24821%0.21CC..Hα-helixtrans-63.1-39.3-179.4178.10000112.5L68 R160 K167L68-V163 HydrophobicContact CD2-CB 4.33Å; L68-V163 HydrophobicContact CD2-CG1 3.97Å; R160-V163 PolarHBondContact O-N 2.79Å; V163-K167 HydrophobicContact CG1-CD 4.41Å; V163-K167 WeakPolarHBondContact O-CB 3.47Å; V163-K167 WeakPolarHBondContact O-CG 3.31Å; V163-K167 PolarHBondContact O-N 3.14Å; V163-K167 VanDerWaalsContact O-N 3.14Å
164R91.9Very high92.2Very high25 Ų2547.4 Ų47.49%0.09422%0.224CC..Hα-helixtrans-69.4-41.4176.2-171.1-177-65.4128.98.6111.7I63 L68 L113 G114 V115 V154 D156 R160 A161 K162 A168I63-R164 HydrophobicContact CD1-CG 3.84Å; I63-R164 HydrophobicContact CG2-CG 4.34Å; L68-R164 HydrophobicContact CD2-CB 4.4Å; L113-R164 WeakPolarHBondContact O-CD 3.39Å; G114-R164 VanDerWaalsContact O-CD 3.28Å; G114-R164 WeakPolarHBondContact O-CD 3.5Å; V115-R164 HydrophobicContact CG1-CG 3.94Å; V154-R164 HydrophobicContact CG1-CB 4.31Å; V154-R164 HydrophobicContact CG1-CG 4.49Å; D156-R164 IonicContact OD2-CZ 2.69Å; D156-R164 IonicContact OD2-NH1 2.66Å; D156-R164 PolarHBondContact OD2-NH1 3.05Å; D156-R164 IonicContact OD2-NH2 3.23Å; D156-R164 PolarHBondContact OD2-NH2 2.88Å; R160-R164 PolarHBondContact O-N 3.43Å; A161-R164 PolarHBondContact O-N 3.45Å; K162-R164 PolarHBondContact O-N 2.64Å; R164-A168 WeakPolarHBondContact O-CB 3.36Å; R164-A168 PolarHBondContact O-N 3.42Å
165L94Very high91.9Very high5 Ų547.8 Ų47.83%0.02623%0.225CC..Hα-helixtrans-63.1-44.8178.6-174.770.8000111.4L78 A80 I152 V154 A161 K162 A168 S169 I564L78-L165 HydrophobicContact CB-CD2 3.9Å; A80-L165 HydrophobicContact CB-CD1 3.81Å; A80-L165 HydrophobicContact CB-CD2 4.07Å; A80-L165 HydrophobicContact CB-CG 4Å; I152-L165 HydrophobicContact CB-CD1 4.12Å; I152-L165 HydrophobicContact CG2-CD1 3.82Å; V154-L165 HydrophobicContact CG2-CB 4.17Å; V154-L165 HydrophobicContact CG2-CD1 3.77Å; A161-L165 WeakPolarHBondContact O-CB 3.35Å; A161-L165 PolarHBondContact O-N 2.8Å; K162-L165 PolarHBondContact O-N 3.02Å; L165-A168 PolarHBondContact O-N 3.48Å; L165-S169 VanDerWaalsContact O-CB 3.29Å; L165-S169 WeakPolarHBondContact O-CB 3.27Å; L165-S169 PolarHBondContact O-N 2.94Å; L165-S169 PolarHBondContact O-OG 3.32Å; L165-I564 HydrophobicContact CD2-CG2 4.2Å
166E93Very high91.7Very high132 Ų13241.6 Ų41.662%0.61720%0.197SC*.Hα-helixtrans-58.1-58.6175.4-177.2178.1-153.500111.2K162 A168 S169 E170K162-E166 WeakPolarHBondContact O-CB 3.49Å; K162-E166 PolarHBondContact O-N 2.7Å; E166-A168 VanDerWaalsContact C-N 3.32Å; E166-A168 PolarHBondContact O-N 3.28Å; E166-S169 PolarHBondContact O-N 3.43Å; E166-S169 PolarHBondContact O-OG 3.49Å; E166-E170 PolarHBondContact O-N 2.89Å
167K91.7Very high91.2Very high58 Ų5844.2 Ų44.225%0.25221%0.208SC..Hα-helixtrans-55.5-44177.4-75.6-177175.5-176.90112.6I63 E67 V163 S169 E170 C171I63-K167 HydrophobicContact CD1-CB 3.57Å; I63-K167 HydrophobicContact CG1-CB 4.1Å; I63-K167 HydrophobicContact CG1-CD 4.35Å; I63-K167 HydrophobicContact CG2-CD 4.16Å; E67-K167 IonicContact OE2-NZ 3.07Å; E67-K167 PolarHBondContact OE2-NZ 2.88Å; V163-K167 HydrophobicContact CG1-CD 4.41Å; V163-K167 WeakPolarHBondContact O-CB 3.47Å; V163-K167 WeakPolarHBondContact O-CG 3.31Å; V163-K167 PolarHBondContact O-N 3.14Å; V163-K167 VanDerWaalsContact O-N 3.14Å; K167-S169 VanDerWaalsContact C-N 3.33Å; K167-S169 PolarHBondContact O-N 3.01Å; K167-E170 PolarHBondContact O-N 2.8Å; K167-C171 WeakPolarHBondContact O-CB 3.33Å; K167-C171 PolarHBondContact O-N 3.1Å; K167-C171 PolarHBondContact O-SG 3.39Å
168A92.7Very high90.5Very high0 Ų043.8 Ų43.80%021%0.209CC..Hα-helixtrans-65.7-37178.400000112.2I63 L113 V115 I152 R164 L165 E166 C171 I172I63-A168 HydrophobicContact CD1-CB 4.23Å; L113-A168 HydrophobicContact CB-CB 4.35Å; L113-A168 HydrophobicContact CD1-CB 4.19Å; V115-A168 HydrophobicContact CG1-CB 3.67Å; V115-A168 HydrophobicContact CG2-CB 4.25Å; I152-A168 HydrophobicContact CG2-CB 4.42Å; R164-A168 WeakPolarHBondContact O-CB 3.36Å; R164-A168 PolarHBondContact O-N 3.42Å; L165-A168 PolarHBondContact O-N 3.48Å; E166-A168 VanDerWaalsContact C-N 3.32Å; E166-A168 PolarHBondContact O-N 3.28Å; A168-C171 PolarHBondContact O-N 3.07Å; A168-I172 WeakPolarHBondContact O-CB 3.25Å; A168-I172 WeakPolarHBondContact O-CG1 3.39Å; A168-I172 PolarHBondContact O-N 2.79Å
169S93.3Very high89.7Confident14 Ų1440.7 Ų40.710%0.09820%0.195CC..Hα-helixtrans-67.8-39.8177.174.50000112.4L165 E166 K167 S173L165-S169 VanDerWaalsContact O-CB 3.29Å; L165-S169 WeakPolarHBondContact O-CB 3.27Å; L165-S169 PolarHBondContact O-N 2.94Å; L165-S169 PolarHBondContact O-OG 3.32Å; E166-S169 PolarHBondContact O-N 3.43Å; E166-S169 PolarHBondContact O-OG 3.49Å; K167-S169 VanDerWaalsContact C-N 3.33Å; K167-S169 PolarHBondContact O-N 3.01Å; S169-S173 VanDerWaalsContact O-CB 3.27Å; S169-S173 WeakPolarHBondContact O-CB 3.34Å; S169-S173 PolarHBondContact O-N 3.43Å; S169-S173 PolarHBondContact O-OG 2.89Å
170E91.8Very high89.1Confident103 Ų10339.2 Ų39.248%0.48119%0.189SC..Hα-helixtrans-63.9-46.3174.1-160.1-150.2-169.900111E166 K167 I172 S173 K174E166-E170 PolarHBondContact O-N 2.89Å; K167-E170 PolarHBondContact O-N 2.8Å; E170-I172 PolarHBondContact O-N 2.87Å; E170-S173 PolarHBondContact O-N 3.07Å; E170-K174 VanDerWaalsContact CD-CE 3.45Å; E170-K174 HydrophobicContact CG-CD 4.43Å; E170-K174 WeakPolarHBondContact O-CB 3.32Å; E170-K174 WeakPolarHBondContact O-CG 3.29Å; E170-K174 PolarHBondContact O-N 2.88Å; E170-K174 WeakPolarHBondContact OE1-CE 2.99Å; E170-K174 IonicContact OE1-NZ 3.37Å; E170-K174 PolarHBondContact OE1-NZ 2.92Å; E170-K174 IonicContact OE2-NZ 2.65Å; E170-K174 PolarHBondContact OE2-NZ 2.91Å
171C89.8Confident88.2Confident11 Ų1145.4 Ų45.47%0.07422%0.216CC..Hα-helixtrans-60.9-43.2177.4-73.80000113.3I60 L113 K167 A168 F175I60-C171 HydrophobicContact CG2-CB 4.2Å; L113-C171 HydrophobicContact CD1-CB 4.26Å; L113-C171 HydrophobicContact CD2-CB 3.89Å; K167-C171 WeakPolarHBondContact O-CB 3.33Å; K167-C171 PolarHBondContact O-N 3.1Å; K167-C171 PolarHBondContact O-SG 3.39Å; A168-C171 PolarHBondContact O-N 3.07Å; C171-F175 PolarHBondContact O-N 3.24Å
172I91.3Very high87.2Confident7 Ų746.9 Ų46.94%0.03623%0.225CC..Hα-helixtrans-72.5-37.1178.8-73.5165000111I82 L113 I117 V150 I152 A168 E170 F175 L176I82-I172 HydrophobicContact CD1-CB 4.15Å; I82-I172 HydrophobicContact CD1-CG2 3.93Å; L113-I172 HydrophobicContact CD1-CD1 3.97Å; L113-I172 HydrophobicContact CD1-CG1 4.02Å; I117-I172 HydrophobicContact CD1-CD1 3.75Å; I117-I172 HydrophobicContact CG1-CD1 4.02Å; V150-I172 HydrophobicContact CB-CG2 4.48Å; V150-I172 HydrophobicContact CG1-CG2 4.35Å; V150-I172 HydrophobicContact CG2-CG2 4.37Å; I152-I172 HydrophobicContact CD1-CB 4.38Å; I152-I172 HydrophobicContact CD1-CD1 3.57Å; I152-I172 HydrophobicContact CG1-CD1 3.82Å; A168-I172 WeakPolarHBondContact O-CB 3.25Å; A168-I172 WeakPolarHBondContact O-CG1 3.39Å; A168-I172 PolarHBondContact O-N 2.79Å; E170-I172 PolarHBondContact O-N 2.87Å; I172-F175 PolarHBondContact O-N 3Å; I172-L176 HydrophobicContact CG2-CD1 4.29Å; I172-L176 WeakPolarHBondContact O-CG 3.31Å; I172-L176 PolarHBondContact O-N 2.89Å
173S90.3Very high86.1Confident18 Ų1844.7 Ų44.713%0.12622%0.223CC..Hα-helixtrans-62.5-42.8173.5-580000111.6S169 E170 L176 Q177S169-S173 VanDerWaalsContact O-CB 3.27Å; S169-S173 WeakPolarHBondContact O-CB 3.34Å; S169-S173 PolarHBondContact O-N 3.43Å; S169-S173 PolarHBondContact O-OG 2.89Å; E170-S173 PolarHBondContact O-N 3.07Å; S173-L176 PolarHBondContact O-N 2.97Å; S173-Q177 WeakPolarHBondContact O-CG 3.16Å; S173-Q177 PolarHBondContact O-N 3.37Å
174K87.5Confident85Confident87 Ų8746.4 Ų46.438%0.37823%0.23SC..Hα-helixtrans-59.8-47.3172.5-74.4168-179.3168.50111.7E170 L176 Q177 E178E170-K174 VanDerWaalsContact CD-CE 3.45Å; E170-K174 HydrophobicContact CG-CD 4.43Å; E170-K174 WeakPolarHBondContact O-CB 3.32Å; E170-K174 WeakPolarHBondContact O-CG 3.29Å; E170-K174 PolarHBondContact O-N 2.88Å; E170-K174 WeakPolarHBondContact OE1-CE 2.99Å; E170-K174 IonicContact OE1-NZ 3.37Å; E170-K174 PolarHBondContact OE1-NZ 2.92Å; E170-K174 IonicContact OE2-NZ 2.65Å; E170-K174 PolarHBondContact OE2-NZ 2.91Å; K174-L176 VanDerWaalsContact C-N 3.29Å; K174-L176 PolarHBondContact O-N 3.44Å; K174-Q177 PolarHBondContact O-N 3.19Å; K174-E178 VanDerWaalsContact O-CB 3.29Å; K174-E178 WeakPolarHBondContact O-CB 3.43Å; K174-E178 PolarHBondContact O-N 3.28Å
175F88.9Confident83.8Confident9 Ų951.5 Ų51.54%0.03925%0.254CS..Hα-helixtrans-59.4-37.5178-178.3-101.4000113.2F55 I60 R97 I98 T105 L109 C171 I172 S179 V189F55-F175 HydrophobicContact CE1-CE2 4.12Å; I60-F175 HydrophobicContact CD1-CB 3.93Å; I60-F175 HydrophobicContact CD1-CD2 3.7Å; I60-F175 HydrophobicContact CD1-CG 4.22Å; R97-F175 HydrophobicContact CG-CE1 3.85Å; R97-F175 HydrophobicContact CG-CZ 4.01Å; I98-F175 HydrophobicContact CB-CE1 4.49Å; I98-F175 HydrophobicContact CG1-CD1 4.28Å; I98-F175 HydrophobicContact CG1-CE1 3.9Å; T105-F175 HydrophobicContact CG2-CZ 4.21Å; L109-F175 HydrophobicContact CD1-CE1 4.33Å; L109-F175 HydrophobicContact CD1-CZ 4.4Å; C171-F175 PolarHBondContact O-N 3.24Å; I172-F175 PolarHBondContact O-N 3Å; F175-S179 PolarHBondContact O-N 3.22Å; F175-V189 HydrophobicContact CE2-CG1 4.16Å; F175-V189 HydrophobicContact CZ-CG1 4.41Å
176L88Confident83Confident3 Ų357.2 Ų57.22%0.01628%0.28CS..Hα-helixtrans-70.3-50174.8-72.1173.1000112.2I82 M84 F94 I98 V150 I172 S173 K174 E178 S179I82-L176 HydrophobicContact CG2-CD1 4Å; M84-L176 HydrophobicContact SD-CD1 3.89Å; M84-L176 HydrophobicContact SD-CD2 3.58Å; M84-L176 VanDerWaalsContact SD-CD2 3.58Å; M84-L176 HydrophobicContact SD-CG 4.41Å; F94-L176 HydrophobicContact CB-CD2 4.28Å; F94-L176 HydrophobicContact CD1-CD2 3.91Å; F94-L176 HydrophobicContact CG-CD2 4.44Å; I98-L176 HydrophobicContact CD1-CD2 3.72Å; I98-L176 HydrophobicContact CG1-CD2 4.21Å; V150-L176 HydrophobicContact CG2-CD1 4.46Å; I172-L176 HydrophobicContact CG2-CD1 4.29Å; I172-L176 WeakPolarHBondContact O-CG 3.31Å; I172-L176 PolarHBondContact O-N 2.89Å; S173-L176 PolarHBondContact O-N 2.97Å; K174-L176 VanDerWaalsContact C-N 3.29Å; K174-L176 PolarHBondContact O-N 3.44Å; L176-E178 VanDerWaalsContact C-N 3.34Å; L176-E178 PolarHBondContact O-N 3.05Å; L176-S179 PolarHBondContact O-N 3.3Å; L176-S179 VanDerWaalsContact O-N 3.16Å; L176-S179 PolarHBondContact O-OG 2.95Å
177Q82.7Confident82.5Confident69 Ų6951 Ų5132%0.32225%0.251SS..Hα-helixtrans-62.4-39.4179.5-71.9-176.415.100112.7S173 K174 S179 V180 K181S173-Q177 WeakPolarHBondContact O-CG 3.16Å; S173-Q177 PolarHBondContact O-N 3.37Å; K174-Q177 PolarHBondContact O-N 3.19Å; Q177-S179 PolarHBondContact O-N 3.01Å; Q177-V180 PolarHBondContact O-N 3.47Å; Q177-K181 WeakPolarHBondContact O-CG 3.41Å; Q177-K181 PolarHBondContact O-N 3.41Å
178E78.3Confident82.1Confident70 Ų7050.9 Ų50.933%0.32725%0.25SS..Hα-helixtrans-60.4-36.9176.9-168.572.6165.600110.9F58 K174 L176 V180 K181 V182F58-E178 HydrophobicContact CD1-CG 4.22Å; K174-E178 VanDerWaalsContact O-CB 3.29Å; K174-E178 WeakPolarHBondContact O-CB 3.43Å; K174-E178 PolarHBondContact O-N 3.28Å; L176-E178 VanDerWaalsContact C-N 3.34Å; L176-E178 PolarHBondContact O-N 3.05Å; E178-V180 PolarHBondContact O-N 2.9Å; E178-K181 PolarHBondContact O-N 3.41Å; E178-V182 VanDerWaalsContact CD-CG2 3.42Å; E178-V182 HydrophobicContact CG-CG2 3.69Å; E178-V182 WeakPolarHBondContact O-CB 3.28Å; E178-V182 WeakPolarHBondContact O-CG2 3.39Å; E178-V182 PolarHBondContact O-N 3.05Å; E178-V182 WeakPolarHBondContact OE1-CG2 3.26Å
179S77.1Confident81.7Confident2 Ų250.9 Ų50.91%0.01425%0.251CS..Hα-helixtrans-70.4-8.2176.374.30000115.2Y92 F175 L176 Q177Y92-S179 WeakPolarHBondContact CD2-O 3.44Å; Y92-S179 VanDerWaalsContact CE2-O 3.27Å; Y92-S179 WeakPolarHBondContact CE2-O 3.42Å; F175-S179 PolarHBondContact O-N 3.22Å; L176-S179 PolarHBondContact O-N 3.3Å; L176-S179 VanDerWaalsContact O-N 3.16Å; L176-S179 PolarHBondContact O-OG 2.95Å; Q177-S179 PolarHBondContact O-N 3.01Å
180V78.3Confident81.4Confident52 Ų5252.4 Ų52.432%0.31526%0.256SS..Hα-helixtrans-97.5-38.4169.1-179.50000111.5P85 F94 Q177 E178P85-V180 HydrophobicContact CB-CG2 4.46Å; P85-V180 HydrophobicContact CG-CG2 3.87Å; F94-V180 HydrophobicContact CE1-CG2 3.63Å; F94-V180 HydrophobicContact CZ-CG2 3.67Å; Q177-V180 PolarHBondContact O-N 3.47Å; E178-V180 PolarHBondContact O-N 2.9Å
181K73.2Confident81.2Confident145 Ų14550.3 Ų50.363%0.6325%0.252SS*.Hα-helixtrans-78.4-33.6-173.7-69166-178.8170.60113.4Q177 E178Q177-K181 WeakPolarHBondContact O-CG 3.41Å; Q177-K181 PolarHBondContact O-N 3.41Å; E178-K181 PolarHBondContact O-N 3.41Å
182V72.1Confident81.1Confident31 Ų3149.8 Ų49.819%0.18825%0.249CC..SBendtrans-91133.6-172.7178.70000110.5E178 E186 D187E178-V182 VanDerWaalsContact CD-CG2 3.42Å; E178-V182 HydrophobicContact CG-CG2 3.69Å; E178-V182 WeakPolarHBondContact O-CB 3.28Å; E178-V182 WeakPolarHBondContact O-CG2 3.39Å; E178-V182 PolarHBondContact O-N 3.05Å; E178-V182 WeakPolarHBondContact OE1-CG2 3.26Å; V182-E186 HydrophobicContact CG1-CB 3.49Å; V182-E186 VanDerWaalsContact CG1-CB 3.49Å; V182-D187 HydrophobicContact CG1-CB 4.07Å
183S69.6Low81.2Confident57 Ų5750.1 Ų50.140%0.39925%0.25SS..  trans-67.5151.7177.175.50000111.6K185 E186 D187S183-K185 PolarHBondContact O-N 3.25Å; S183-E186 WeakPolarHBondContact CB-OE2 3.45Å; S183-E186 PolarHBondContact N-OE2 2.92Å; S183-E186 PolarHBondContact O-N 3.28Å; S183-E186 VanDerWaalsContact OG-CD 3.31Å; S183-E186 WeakPolarHBondContact OG-CG 3.41Å; S183-E186 PolarHBondContact OG-OE2 2.91Å; S183-D187 PolarHBondContact O-N 2.95Å
184D69.3Low81.2Confident76 Ų7653.6 Ų53.641%0.40627%0.267SS..THydrogen-bonded Turntrans-54.9-17.9-177.7-98.116.7000115.1K190D184-K190 IonicContact OD1-NZ 2.67Å; D184-K190 PolarHBondContact OD1-NZ 3.02Å; D184-K190 IonicContact OD2-NZ 3.17Å; D184-K190 PolarHBondContact OD2-NZ 3.38Å
185K67.2Low81.3Confident133 Ų13350.8 Ų50.858%0.57826%0.255SS*.THydrogen-bonded Turntrans-89.8-22.5178-64.4-179.4178.7178.40113.6S183 Y678S183-K185 PolarHBondContact O-N 3.25Å; K185-Y678 HydrophobicContact CD-CE1 4.36Å
186E77.7Confident81.2Confident124 Ų12450.7 Ų50.758%0.57926%0.255SS*.THydrogen-bonded Turntrans-97-19.7-176.5-69.3167.1131.500112.5V182 S183 K188V182-E186 HydrophobicContact CG1-CB 3.49Å; V182-E186 VanDerWaalsContact CG1-CB 3.49Å; S183-E186 WeakPolarHBondContact CB-OE2 3.45Å; S183-E186 PolarHBondContact N-OE2 2.92Å; S183-E186 PolarHBondContact O-N 3.28Å; S183-E186 VanDerWaalsContact OG-CD 3.31Å; S183-E186 WeakPolarHBondContact OG-CG 3.41Å; S183-E186 PolarHBondContact OG-OE2 2.91Å; E186-K188 WeakPolarHBondContact O-CG 3.41Å; E186-K188 PolarHBondContact O-N 2.91Å
187D82.2Confident81.3Confident3 Ų354.8 Ų54.82%0.01628%0.276CS..  trans-7087.7-180-175.5-6.9000112.4Y92 R97 V182 S183 V189 K190 S191Y92-D187 PolarHBondContact OH-OD2 3.17Å; R97-D187 IonicContact CZ-OD1 2.71Å; R97-D187 IonicContact CZ-OD2 3.85Å; R97-D187 IonicContact NH1-OD1 3.76Å; R97-D187 PolarHBondContact NH1-OD1 3.38Å; R97-D187 IonicContact NH1-OD2 3.74Å; R97-D187 PolarHBondContact NH1-OD2 3.05Å; R97-D187 VanDerWaalsContact NH2-CG 3.31Å; R97-D187 IonicContact NH2-OD1 2.78Å; R97-D187 PolarHBondContact NH2-OD1 3.21Å; R97-D187 IonicContact NH2-OD2 2.74Å; R97-D187 PolarHBondContact NH2-OD2 3.33Å; R97-D187 VanDerWaalsContact NH2-OD2 3.17Å; V182-D187 HydrophobicContact CG1-CB 4.07Å; S183-D187 PolarHBondContact O-N 2.95Å; D187-V189 VanDerWaalsContact C-N 3.26Å; D187-V189 PolarHBondContact O-N 2.94Å; D187-V189 PolarHBondContact OD1-N 3.2Å; D187-K190 HydrophobicContact CB-CB 3.93Å; D187-K190 PolarHBondContact O-N 2.68Å; D187-K190 PolarHBondContact OD1-N 3.37Å; D187-K190 WeakPolarHBondContact OD2-CB 3.19Å; D187-S191 PolarHBondContact O-N 3.11Å
188K82.7Confident81.6Confident54 Ų5456.7 Ų56.724%0.23528%0.284CS..Hα-helixtrans-63-27.9-178.4-41.5175.4-169.8169.10113.2T12 F58 E186 M192T12-K188 HydrophobicContact CG2-CD 4.28Å; T12-K188 PolarHBondContact OG1-NZ 3.47Å; F58-K188 HydrophobicContact CE2-CB 4.12Å; F58-K188 HydrophobicContact CZ-CB 3.74Å; F58-K188 HydrophobicContact CZ-CD 4.13Å; F58-K188 HydrophobicContact CZ-CG 3.91Å; E186-K188 WeakPolarHBondContact O-CG 3.41Å; E186-K188 PolarHBondContact O-N 2.91Å; K188-M192 VanDerWaalsContact O-CB 3.31Å; K188-M192 WeakPolarHBondContact O-CB 3.39Å; K188-M192 PolarHBondContact O-N 2.88Å
189V85.5Confident81.9Confident1 Ų154 Ų541%0.00627%0.272CS..Hα-helixtrans-72.8-36.1174.61700000110.4F55 F58 R97 F175 D187 M192 Q193F55-V189 HydrophobicContact CD1-CG2 3.97Å; F55-V189 HydrophobicContact CE1-CG1 3.82Å; F55-V189 HydrophobicContact CE1-CG2 3.8Å; F55-V189 HydrophobicContact CZ-CG1 4.42Å; F58-V189 HydrophobicContact CD2-CG2 3.9Å; F58-V189 HydrophobicContact CE2-CG2 3.64Å; F58-V189 HydrophobicContact CZ-CG2 4.33Å; R97-V189 VanDerWaalsContact NH1-CB 3.33Å; F175-V189 HydrophobicContact CE2-CG1 4.16Å; F175-V189 HydrophobicContact CZ-CG1 4.41Å; D187-V189 VanDerWaalsContact C-N 3.26Å; D187-V189 PolarHBondContact O-N 2.94Å; D187-V189 PolarHBondContact OD1-N 3.2Å; V189-M192 HydrophobicContact CG1-CE 4.1Å; V189-M192 WeakPolarHBondContact O-CB 3.4Å; V189-M192 PolarHBondContact O-N 2.72Å; V189-Q193 HydrophobicContact CG1-CG 4.37Å; V189-Q193 WeakPolarHBondContact O-CB 3.35Å; V189-Q193 WeakPolarHBondContact O-CG 3.43Å; V189-Q193 PolarHBondContact O-N 3.07Å
190K87Confident82.2Confident46 Ų4655.1 Ų55.120%0.228%0.277CS..Hα-helixtrans-70.1-40.4174.4179.6167.1172.5173.60110.5D184 D187 M192 Q193 L194D184-K190 IonicContact OD1-NZ 2.67Å; D184-K190 PolarHBondContact OD1-NZ 3.02Å; D184-K190 IonicContact OD2-NZ 3.17Å; D184-K190 PolarHBondContact OD2-NZ 3.38Å; D187-K190 HydrophobicContact CB-CB 3.93Å; D187-K190 PolarHBondContact O-N 2.68Å; D187-K190 PolarHBondContact OD1-N 3.37Å; D187-K190 WeakPolarHBondContact OD2-CB 3.19Å; K190-M192 PolarHBondContact O-N 3.38Å; K190-Q193 PolarHBondContact O-N 2.95Å; K190-L194 HydrophobicContact CG-CD1 3.95Å; K190-L194 HydrophobicContact CG-CG 4.45Å; K190-L194 WeakPolarHBondContact O-CB 3.29Å; K190-L194 VanDerWaalsContact O-CG 3.23Å; K190-L194 WeakPolarHBondContact O-CG 3.39Å; K190-L194 PolarHBondContact O-N 3.46Å
191S86.9Confident82.4Confident59 Ų5962.3 Ų62.341%0.41330%0.299SS..Hα-helixtrans-55.8-48.8169.2-172.80000112D187 L194 M195D187-S191 PolarHBondContact O-N 3.11Å; S191-L194 PolarHBondContact O-N 3.49Å; S191-M195 VanDerWaalsContact O-CB 3.25Å; S191-M195 WeakPolarHBondContact O-CB 3.48Å; S191-M195 PolarHBondContact O-N 3.08Å
192M88.3Confident82.6Confident0 Ų062 Ų620%030%0.298CS..Hα-helixtrans-58.9-47.6174.6175-171.979.900113L16 L19 Q51 L54 F55 K188 V189 K190 M195 E196L16-M192 HydrophobicContact CD1-CB 3.95Å; L19-M192 HydrophobicContact CD2-CG 3.57Å; L19-M192 HydrophobicContact CD2-SD 3.66Å; Q51-M192 HydrophobicContact CB-SD 4.44Å; Q51-M192 HydrophobicContact CG-CE 4.38Å; Q51-M192 HydrophobicContact CG-SD 3.8Å; L54-M192 HydrophobicContact CD1-CG 4.3Å; L54-M192 HydrophobicContact CD1-SD 3.54Å; L54-M192 VanDerWaalsContact CD1-SD 3.54Å; F55-M192 HydrophobicContact CZ-CE 3.97Å; K188-M192 VanDerWaalsContact O-CB 3.31Å; K188-M192 WeakPolarHBondContact O-CB 3.39Å; K188-M192 PolarHBondContact O-N 2.88Å; V189-M192 HydrophobicContact CG1-CE 4.1Å; V189-M192 WeakPolarHBondContact O-CB 3.4Å; V189-M192 PolarHBondContact O-N 2.72Å; K190-M192 PolarHBondContact O-N 3.38Å; M192-M195 PolarHBondContact O-N 3.25Å; M192-E196 PolarHBondContact O-N 2.88Å
193Q91.8Very high82.3Confident14 Ų1460.8 Ų60.87%0.06529%0.291CS..Hα-helixtrans-64.1-42-179.7-75.1169.6-1900111.9R97 T105 V189 K190 L197R97-Q193 PolarHBondContact O-NE2 3.14Å; T105-Q193 VanDerWaalsContact CG2-NE2 3.34Å; T105-Q193 PolarHBondContact OG1-NE2 2.93Å; V189-Q193 HydrophobicContact CG1-CG 4.37Å; V189-Q193 WeakPolarHBondContact O-CB 3.35Å; V189-Q193 WeakPolarHBondContact O-CG 3.43Å; V189-Q193 PolarHBondContact O-N 3.07Å; K190-Q193 PolarHBondContact O-N 2.95Å; Q193-L197 WeakPolarHBondContact O-CB 3.27Å; Q193-L197 PolarHBondContact O-N 3.07Å
194L90.8Very high81.4Confident90 Ų9065 Ų6547%0.47130%0.298SS..Hα-helixtrans-68.3-36.2175.4-69.2171.5000111.5K190 S191 L197 F198K190-L194 HydrophobicContact CG-CD1 3.95Å; K190-L194 HydrophobicContact CG-CG 4.45Å; K190-L194 WeakPolarHBondContact O-CB 3.29Å; K190-L194 VanDerWaalsContact O-CG 3.23Å; K190-L194 WeakPolarHBondContact O-CG 3.39Å; K190-L194 PolarHBondContact O-N 3.46Å; S191-L194 PolarHBondContact O-N 3.49Å; L194-L197 PolarHBondContact O-N 2.76Å; L194-F198 WeakPolarHBondContact O-CB 3.3Å; L194-F198 PolarHBondContact O-N 3.15Å
195M89Confident80.6Confident29 Ų2964.9 Ų64.914%0.14330%0.301CS..Hα-helixtrans-65.7-47.9174.2-178.5176.873.100112.2L16 L19 K20 F23 S191 M192 L197 F198 I199L16-M195 HydrophobicContact CD1-CE 3.57Å; L16-M195 HydrophobicContact CD1-SD 4.37Å; L16-M195 HydrophobicContact CG-CE 4.06Å; L16-M195 HydrophobicContact CG-SD 4.37Å; L19-M195 HydrophobicContact CB-CE 4.23Å; L19-M195 HydrophobicContact CD2-CE 4.45Å; L19-M195 HydrophobicContact CG-CE 4.21Å; K20-M195 HydrophobicContact CB-CE 3.98Å; K20-M195 HydrophobicContact CB-SD 3.55Å; K20-M195 VanDerWaalsContact CB-SD 3.55Å; K20-M195 HydrophobicContact CD-SD 4.16Å; K20-M195 HydrophobicContact CG-SD 3.73Å; F23-M195 HydrophobicContact CD2-CE 4.15Å; F23-M195 HydrophobicContact CE2-CE 4.13Å; S191-M195 VanDerWaalsContact O-CB 3.25Å; S191-M195 WeakPolarHBondContact O-CB 3.48Å; S191-M195 PolarHBondContact O-N 3.08Å; M192-M195 PolarHBondContact O-N 3.25Å; M195-L197 VanDerWaalsContact C-N 3.35Å; M195-F198 PolarHBondContact O-N 2.91Å; M195-I199 HydrophobicContact CG-CD1 3.92Å; M195-I199 WeakPolarHBondContact O-CG1 3.21Å; M195-I199 PolarHBondContact O-N 3.23Å
196E88.6Confident79.3Confident6 Ų664.7 Ų64.73%0.02830%0.304CS..Hα-helixtrans-58.2-48.3173.4-178.7170-15800109.9F23 R26 Q51 P101 S104 M192 F198 I199 L200F23-E196 HydrophobicContact CD1-CG 4.19Å; F23-E196 HydrophobicContact CD2-CB 4.25Å; F23-E196 HydrophobicContact CE1-CB 4.1Å; F23-E196 VanDerWaalsContact CE1-CD 3.43Å; F23-E196 HydrophobicContact CE1-CG 3.62Å; F23-E196 WeakPolarHBondContact CE1-OE1 3.29Å; F23-E196 HydrophobicContact CE2-CB 3.62Å; F23-E196 HydrophobicContact CE2-CG 4.11Å; F23-E196 HydrophobicContact CZ-CB 3.54Å; F23-E196 VanDerWaalsContact CZ-CD 3.46Å; F23-E196 HydrophobicContact CZ-CG 3.58Å; R26-E196 IonicContact NH1-OE1 3.61Å; Q51-E196 PolarHBondContact NE2-OE2 2.65Å; P101-E196 HydrophobicContact CB-CG 4.42Å; P101-E196 HydrophobicContact CG-CB 3.84Å; P101-E196 HydrophobicContact CG-CG 3.62Å; P101-E196 VanDerWaalsContact CG-OE2 3.31Å; P101-E196 WeakPolarHBondContact CG-OE2 3.35Å; S104-E196 PolarHBondContact OG-OE2 3.43Å; M192-E196 PolarHBondContact O-N 2.88Å; E196-F198 VanDerWaalsContact C-N 3.35Å; E196-F198 PolarHBondContact O-N 3.03Å; E196-I199 PolarHBondContact O-N 2.87Å; E196-L200 HydrophobicContact CG-CD1 3.8Å; E196-L200 HydrophobicContact CG-CG 4.43Å; E196-L200 VanDerWaalsContact O-CB 3.27Å; E196-L200 WeakPolarHBondContact O-CB 3.43Å; E196-L200 WeakPolarHBondContact O-CG 3.44Å; E196-L200 PolarHBondContact O-N 3.17Å
197L89.9Confident77.5Confident89 Ų8962.1 Ų62.147%0.46629%0.294SS..Hα-helixtrans-62-36.3178-176.563.5000113.4P101 Q193 L194 M195 R201P101-L197 HydrophobicContact CB-CB 4.33Å; P101-L197 HydrophobicContact CB-CD1 4.33Å; Q193-L197 WeakPolarHBondContact O-CB 3.27Å; Q193-L197 PolarHBondContact O-N 3.07Å; L194-L197 PolarHBondContact O-N 2.76Å; M195-L197 VanDerWaalsContact C-N 3.35Å; L197-R201 WeakPolarHBondContact O-CB 3.47Å; L197-R201 PolarHBondContact O-N 2.8Å
198F87.8Confident75.3Confident109 Ų10968.7 Ų68.748%0.47832%0.323SS..Hα-helixtrans-73.4-44.4179.1176.5-105.9000112.3L194 M195 E196 L200 R201 K202L194-F198 WeakPolarHBondContact O-CB 3.3Å; L194-F198 PolarHBondContact O-N 3.15Å; M195-F198 PolarHBondContact O-N 2.91Å; E196-F198 VanDerWaalsContact C-N 3.35Å; E196-F198 PolarHBondContact O-N 3.03Å; F198-L200 VanDerWaalsContact C-N 3.34Å; F198-R201 PolarHBondContact O-N 2.66Å; F198-K202 HydrophobicContact CD1-CD 4.44Å; F198-K202 HydrophobicContact CE1-CD 4.05Å; F198-K202 HydrophobicContact CZ-CD 4.18Å; F198-K202 PolarHBondContact O-N 2.88Å
199I85.4Confident73.3Confident14 Ų1470.4 Ų70.47%0.07233%0.334CS..Hα-helixtrans-62.5-45.5174.6-67.1169.2000109.4K20 F23 M24 M27 M195 E196 K202 A203K20-I199 HydrophobicContact CG-CD1 4.28Å; F23-I199 HydrophobicContact CB-CB 4.49Å; F23-I199 HydrophobicContact CB-CD1 3.68Å; F23-I199 HydrophobicContact CB-CG2 4.06Å; F23-I199 HydrophobicContact CD2-CD1 4.24Å; F23-I199 HydrophobicContact CG-CD1 4.42Å; M24-I199 HydrophobicContact CG-CD1 4.45Å; M24-I199 HydrophobicContact SD-CG1 4.42Å; M24-I199 HydrophobicContact SD-CG2 4.01Å; M27-I199 HydrophobicContact CG-CG2 3.59Å; M195-I199 HydrophobicContact CG-CD1 3.92Å; M195-I199 WeakPolarHBondContact O-CG1 3.21Å; M195-I199 PolarHBondContact O-N 3.23Å; E196-I199 PolarHBondContact O-N 2.87Å; I199-K202 PolarHBondContact O-N 2.89Å; I199-A203 PolarHBondContact O-N 3.23Å
200L82.4Confident71.1Confident26 Ų2677.9 Ų77.914%0.13637%0.366CS..Hα-helixtrans-60.4-46.3172.8-71.7171000111.6P101 E196 F198 K202 A203 W204P101-L200 HydrophobicContact CB-CD1 4.32Å; E196-L200 HydrophobicContact CG-CD1 3.8Å; E196-L200 HydrophobicContact CG-CG 4.43Å; E196-L200 VanDerWaalsContact O-CB 3.27Å; E196-L200 WeakPolarHBondContact O-CB 3.43Å; E196-L200 WeakPolarHBondContact O-CG 3.44Å; E196-L200 PolarHBondContact O-N 3.17Å; F198-L200 VanDerWaalsContact C-N 3.34Å; L200-K202 VanDerWaalsContact C-N 3.26Å; L200-K202 PolarHBondContact O-N 2.8Å; L200-A203 WeakPolarHBondContact O-CA 3.27Å; L200-A203 WeakPolarHBondContact O-CB 3.47Å; L200-A203 PolarHBondContact O-N 3.27Å; L200-W204 PolarHBondContact O-NE1 2.83Å
201R84.1Confident68.8Low203 Ų20382.7 Ų82.777%0.76639%0.393SS*.Hα-helixtrans-60.3-35.4178.9-172.5169.5-177.9153.3-0.2112.3L197 F198 A203 W204L197-R201 WeakPolarHBondContact O-CB 3.47Å; L197-R201 PolarHBondContact O-N 2.8Å; F198-R201 PolarHBondContact O-N 2.66Å; R201-A203 PolarHBondContact O-N 2.8Å; R201-W204 PolarHBondContact O-N 3.28Å
202K76.6Confident66.5Low139 Ų13983.7 Ų83.760%0.60440%0.4SS*.Hα-helixtrans-67.5-15173.5-76.8-176.3169.3-177.10114F198 I199 L200 P205F198-K202 HydrophobicContact CD1-CD 4.44Å; F198-K202 HydrophobicContact CE1-CD 4.05Å; F198-K202 HydrophobicContact CZ-CD 4.18Å; F198-K202 PolarHBondContact O-N 2.88Å; I199-K202 PolarHBondContact O-N 2.89Å; L200-K202 VanDerWaalsContact C-N 3.26Å; L200-K202 PolarHBondContact O-N 2.8Å; K202-P205 WeakPolarHBondContact O-CD 3.48Å
203A65.9Low64.1Low5 Ų590.7 Ų90.74%0.04143%0.431CS..Hα-helixtrans-67.9-39173.100000114M27 I199 L200 R201 P205 M206M27-A203 HydrophobicContact CE-CB 3.33Å; M27-A203 HydrophobicContact SD-CB 3.41Å; M27-A203 WeakPolarHBondContact SD-CB 3.42Å; I199-A203 PolarHBondContact O-N 3.23Å; L200-A203 WeakPolarHBondContact O-CA 3.27Å; L200-A203 WeakPolarHBondContact O-CB 3.47Å; L200-A203 PolarHBondContact O-N 3.27Å; R201-A203 PolarHBondContact O-N 2.8Å; A203-P205 VanDerWaalsContact C-N 3.35Å; A203-P205 WeakPolarHBondContact O-CD 3.26Å; A203-P205 VanDerWaalsContact O-N 3.12Å; A203-M206 PolarHBondContact O-N 2.72Å
204W50.8Low61.3Low145 Ų14594.1 Ų94.155%0.54946%0.456SS..Hα-helixtrans-67.7-13.9-157.4-71.685.1000117.3L200 R201 F208L200-W204 PolarHBondContact O-NE1 2.83Å; R201-W204 PolarHBondContact O-N 3.28Å; W204-F208 HydrophobicContact CE3-CE2 4.18Å; W204-F208 AromaticContact CZ3-CE2 4Å; W204-F208 HydrophobicContact CZ3-CE2 4Å
205P51.2Low58.5Low74 Ų7496.6 Ų96.648%0.48147%0.47SS..Hα-helixtrans-69.3-32.2164.7-20.734.2000113.9K202 A203 I209K202-P205 WeakPolarHBondContact O-CD 3.48Å; A203-P205 VanDerWaalsContact C-N 3.35Å; A203-P205 WeakPolarHBondContact O-CD 3.26Å; A203-P205 VanDerWaalsContact O-N 3.12Å; P205-I209 VanDerWaalsContact O-CD1 3.25Å; P205-I209 WeakPolarHBondContact O-CD1 3.42Å; P205-I209 WeakPolarHBondContact O-CG1 3.43Å
206M40.8Very low55.7Low129 Ų129104.5 Ų104.564%0.63550%0.504SS*.Hα-helixtrans-82.4-34.9-166.3-72.9-66.1169.700114A203A203-M206 PolarHBondContact O-N 2.72Å
207N40.4Very low53.2Low70 Ų70109.6 Ų109.637%0.37454%0.537SS..Hα-helixtrans-73.9-32.7-170.4-65.80.5000113
208F36.3Very low50.4Low140 Ų140111.3 Ų111.361%0.61456%0.557SS**Hα-helixtrans-88-31.3178.5-81-89.6000114W204 K210 L211 S212W204-F208 HydrophobicContact CE3-CE2 4.18Å; W204-F208 AromaticContact CZ3-CE2 4Å; W204-F208 HydrophobicContact CZ3-CE2 4Å; F208-K210 VanDerWaalsContact C-N 3.29Å; F208-K210 PolarHBondContact O-N 2.91Å; F208-L211 PolarHBondContact O-N 2.93Å; F208-S212 WeakPolarHBondContact O-CB 3.13Å; F208-S212 PolarHBondContact O-N 3.34Å; F208-S212 VanDerWaalsContact O-N 3.16Å; F208-S212 PolarHBondContact O-OG 3.05Å
209I40.6Very low47.7Very low91 Ų91117.6 Ų117.647%0.46758%0.577SS.*Hα-helixtrans-72.1-22.8-175-66.1177.5000112.3P205 K213P205-I209 VanDerWaalsContact O-CD1 3.25Å; P205-I209 WeakPolarHBondContact O-CD1 3.42Å; P205-I209 WeakPolarHBondContact O-CG1 3.43Å; I209-K213 HydrophobicContact CG2-CD 4.19Å; I209-K213 WeakPolarHBondContact O-CG 3.44Å
210K39.6Very low45.2Very low157 Ų157120.5 Ų120.568%0.68361%0.611SS**Hα-helixtrans-82.7-35.2172.1-75.1-171.7175.5-1770113.6F208F208-K210 VanDerWaalsContact C-N 3.29Å; F208-K210 PolarHBondContact O-N 2.91Å
211L38.7Very low42.9Very low147 Ų147126.6 Ų126.677%0.7764%0.643SS**Hα-helixtrans-78.8-19.1-178.5-135.272.5000113.7F208F208-L211 PolarHBondContact O-N 2.93Å
212S37Very low40.8Very low80 Ų80123.3 Ų123.356%0.55965%0.646SS**THydrogen-bonded Turntrans-97.73.8179.854.90000114.7F208F208-S212 WeakPolarHBondContact O-CB 3.13Å; F208-S212 PolarHBondContact O-N 3.34Å; F208-S212 VanDerWaalsContact O-N 3.16Å; F208-S212 PolarHBondContact O-OG 3.05Å
213K38.5Very low38.8Very low148 Ų148123.8 Ų123.864%0.64365%0.654SS**  trans-120.7-3.9-175.8-71.8-172.9176.6-178.60115.5I209 N215I209-K213 HydrophobicContact CG2-CD 4.19Å; I209-K213 WeakPolarHBondContact O-CG 3.44Å; K213-N215 PolarHBondContact O-N 3.34Å
214S33.3Very low37.2Very low85 Ų85132.2 Ų132.259%0.59469%0.69SS**  trans-75.174.5160.351.40000109.5F216S214-F216 PolarHBondContact O-N 3.34Å; S214-F216 VanDerWaalsContact O-N 3.09Å
215N32.8Very low36.3Very low142 Ų142131.4 Ų131.476%0.75970%0.697SS**  trans-57.4113.4172.2-73.2-31.6000109.2K213 P217K213-N215 PolarHBondContact O-N 3.34Å; N215-P217 WeakPolarHBondContact O-CD 3.41Å
216F30.1Very low35.5Very low196 Ų196137.6 Ų137.686%0.8672%0.716SS**  trans-63.6121.4157.5-96.4-91.8000107.5S214 S218S214-F216 PolarHBondContact O-N 3.34Å; S214-F216 VanDerWaalsContact O-N 3.09Å; F216-S218 PolarHBondContact O-N 3.3Å
217P35.8Very low35.1Very low112 Ų112135.7 Ų135.773%0.72772%0.715SS**  trans-75.595.7175.430.3-32000108.7N215 R219N215-P217 WeakPolarHBondContact O-CD 3.41Å; P217-R219 PolarHBondContact O-N 2.88Å
218S29.8Very low34.6Very low125 Ų125141.9 Ų141.987%0.87474%0.739SS**  trans-56.5103.8173.8-61.10000110.5F216F216-S218 PolarHBondContact O-N 3.3Å
219R32.7Very low34.3Very low242 Ų242141.6 Ų141.691%0.91374%0.744SS**  trans-141.7106.3174.6-102.6-172.6167.6-160.3-4.7108.6P217P217-R219 PolarHBondContact O-N 2.88Å
220G31.5Very low34Very low75 Ų75145 Ų14577%0.77376%0.762SS**  trans-179.396.6-179.300000107.2
221N34.6Very low33.7Very low154 Ų154140.7 Ų140.782%0.82476%0.762SS**  trans-94124.6-172.1-61.9-7.5000110.7
222T39Very low33.7Very low134 Ų134141.5 Ų141.582%0.82276%0.762SS**  trans-153.5109142.729.30000105.3
223L34.8Very low33.6Very low148 Ų148144.6 Ų144.678%0.77577%0.772SS**  59.276.265.8-163.384.8000112.3
224F32.6Very low33.4Very low183 Ų183141 Ų14180%0.80377%0.766SS**  trans-145.5110.7141.6-114.6-73.4000109.5
225D33.4Very low33.6Very low127 Ų127146.4 Ų146.468%0.67977%0.773SS**  trans-70.4144.9168.5-83.5-58.8000110.7
226K34.1Very low33.9Very low204 Ų204148.4 Ų148.489%0.88777%0.771SS**  trans-158.193.1138.2-111.4159.5-171.4173.30109.9
227S31.1Very low34.2Very low89 Ų89146.6 Ų146.662%0.62277%0.767SS**  trans-55148.8169.9-43.30000111.4
228F30.2Very low34.1Very low200 Ų200145.8 Ų145.888%0.87776%0.764SS**  trans-134.2104.4147.9-145.9-87000108.7I230F228-I230 HydrophobicContact CE1-CD1 4.33Å
229D30.7Very low34.3Very low134 Ų134151.3 Ų151.372%0.71777%0.766SS**  trans-68.2154.3174.4-71.6-77.1000111.8
230I34.2Very low34.3Very low162 Ų162143.7 Ų143.783%0.83175%0.749SS**  trans174.3121.5140.7-89.6148.6000105.8F228F228-I230 HydrophobicContact CE1-CD1 4.33Å
231G32.7Very low34.3Very low67 Ų67150.4 Ų150.469%0.69175%0.753SS**  trans171.316.9-177.700000122.5
232H37.9Very low34.4Very low165 Ų165149.4 Ų149.476%0.76475%0.753SS**  trans60.4127.2162.7-77-71000122
233N35.3Very low34.1Very low144 Ų144148.4 Ų148.477%0.7775%0.751SS**  trans68.7141.5137-57.4-9.4000119.7
234S35.4Very low34.4Very low74 Ų74147.4 Ų147.452%0.51775%0.754SS.*  cis-174.8125.4-11.9155.20000110.9
235R37.5Very low34.5Very low197 Ų197143.5 Ų143.574%0.74376%0.755SS**  trans60.1151.7152.6-72.6172.4-85-170.7-2.5118
236Y38.1Very low34.6Very low185 Ų185145.2 Ų145.273%0.72576%0.763SS**  cis-141.21640.6-105.1-56.4000111.7
237M36.4Very low34.7Very low157 Ų157144.5 Ų144.577%0.77376%0.763SS**  trans-38.5171.7162.2-62.5165.277.200117.3
238S34Very low34.9Very low95 Ų95148.5 Ų148.566%0.66477%0.772SS**  cis177.3171.6-23.3-80.40000108.6
239R33.5Very low35.1Very low242 Ų242145.9 Ų145.991%0.91377%0.767SS**  trans75.1160.7166.8-68.9-177168-160.2-2.9118.2
240S32.9Very low35.4Very low81 Ų81149.3 Ų149.357%0.56677%0.77SS**  cis176123-45.7-101.30000112.2
241Y32.2Very low35.6Very low217 Ų217149 Ų14985%0.85177%0.77SS**  trans62.4168166.7-42.4-63.2000115.2
242T36.4Very low35.5Very low133 Ų133154.1 Ų154.182%0.81677%0.773SS**  cis-130-173.18.952.70000112.7
243S32.2Very low35.3Very low113 Ų113153.8 Ų153.879%0.7978%0.776SS**  trans-109.3-154.2-173.9-53.50000113.4
244P41.6Very low34.9Very low127 Ų127150.8 Ų150.883%0.82577%0.766SS**  -131.4170.4-103.141.1-23.9000116.4
245A34.9Very low34.7Very low101 Ų101156.2 Ų156.284%0.83578%0.781SS**  trans-162.3149.6154.600000116.4
246L34.4Very low34.5Very low162 Ų162152.3 Ų152.385%0.84878%0.784SS**  trans-28.1145.4165.2-60.1154.7000119.9
247Q37.1Very low34.2Very low189 Ų189152 Ų15288%0.88379%0.789SS**  -172-178.3103.3-103.9-177-8.100114.1
248H34.9Very low34.4Very low174 Ų174149.2 Ų149.281%0.80678%0.782SS**  trans-77.9177.6-176.3-65-70.4000112.1
249D35.5Very low34.5Very low145 Ų145151.9 Ų151.978%0.77578%0.784SS**  cis-159.1-170.633.6-139.4-40.3000115.7
250R37.2Very low34.6Very low205 Ų205147.4 Ų147.477%0.77477%0.773SS**  trans-87.8163.4-171.1-53.7168.6-174.1-163.51.7114.4
251N36.9Very low34.6Very low155 Ų155150.3 Ų150.383%0.82978%0.778SS**  -179.3-172.3112.8-88.9-31.7000114.3
252F32Very low34.7Very low175 Ų175146 Ų14677%0.76877%0.769SS**  trans-125.7154.1-151.1-100.4-120.7000114.3
253L32.2Very low34.8Very low158 Ų158148.2 Ų148.283%0.82777%0.77SS**  trans65.8163.5152.8-64.4164.8000118
254S27.8Very low35.1Very low81 Ų81147.3 Ų147.357%0.56676%0.761SS**  cis-170.1174.7-29.6-172.90000110.4
255F31.2Very low34.6Very low188 Ų188149.8 Ų149.883%0.82576%0.762SS**  trans65.2118.6164-66.6-76.6000120.5
256S33.7Very low34.6Very low115 Ų115152.5 Ų152.580%0.80476%0.762SS**  175.4167.5103.7-75.70000114.4
257H31.4Very low34.4Very low180 Ų180150.8 Ų150.883%0.83375%0.754SS**  trans-133.9-174.7179.5-107.159.5000106.5
258P39.7Very low34.4Very low97 Ų97149.9 Ų149.963%0.6375%0.75SS**  cis-141.8-169.7-16.433.4-10.1000116.1
259H36.6Very low34.3Very low151 Ų151148.8 Ų148.870%0.69975%0.745SS**  trans89.3142.2134.6-98.8-72.1000125.5
260H36.8Very low34.2Very low148 Ų148149.5 Ų149.569%0.68574%0.744SS**  trans68.8158.9160-62.7-62.2000121.1
261Q32.5Very low34Very low142 Ų142147.9 Ų147.966%0.66474%0.738SS**  cis-166.3177.1-46.9-141.6174.2-77.200111.7
262D34.6Very low34Very low126 Ų126146 Ų14667%0.67472%0.724SS**  trans80.7104.4152.6-54-30000124.4
263H37Very low34.2Very low181 Ų181145.8 Ų145.884%0.83873%0.725SS**  62.9174.9120.2-104.2-0.9000122.4
264P39.5Very low34.3Very low93 Ų93145.5 Ų145.560%0.60472%0.72SS**  -131.7179.8-85.835.7-14000117.5
265Q30.6Very low34.6Very low180 Ų180150 Ų15084%0.84173%0.732SS**  trans30.9129.2156.3-68.2-178-91.200122.2
266D34.9Very low34.4Very low157 Ų157145.7 Ų145.784%0.8472%0.724SS**  -158.9-175.5119.9-136.6-33.5000114.3
267N30.5Very low34.5Very low127 Ų127147.1 Ų147.168%0.67973%0.728SS**  trans-112.4-178.7-163.9-87.9-73.3000116
268Q36.1Very low34.4Very low170 Ų170145.2 Ų145.279%0.79472%0.724SS**  trans72.9160.9160.3-72.5168.661.500116.9
269Q33Very low34.2Very low151 Ų151148 Ų14871%0.70673%0.732SS**  cis-167.2176.6-28.5179.8165.276.400107.8
270E34.4Very low34Very low159 Ų159145.3 Ų145.374%0.74373%0.73SS**  trans112.4150.4162-63.8-152.6104.500118
271R32.7Very low33.7Very low171 Ų171146.1 Ų146.165%0.64574%0.739SS**  cis174.3165.7-41.6-102.5-98.9-63.3-83.6-11.3109.4
272Q36.2Very low33.7Very low115 Ų115143.1 Ų143.154%0.53775%0.747SS.*  trans66.5160.6-178.6-7276.7-123.100113.6
273Q36.3Very low33.6Very low171 Ų171146.2 Ų146.280%0.79976%0.757SS**  cis-164-174-18.9-108.8163.1-22.600107.9
274Q34.8Very low33.3Very low152 Ų152142.5 Ų142.571%0.7175%0.752SS**  -168.5173.1-68.8-163.258.436.900108.1
275Q33.3Very low32.9Very low175 Ų175148.9 Ų148.982%0.81876%0.764SS**  trans76.4114.3171.4-58.7-178.2-15.800114.4
276C27.4Very low32.8Very low99 Ų99145.5 Ų145.567%0.66976%0.759SS**  cis84.2104.820.7-42.60000116
277V36.6Very low32.7Very low144 Ų144145.3 Ų145.387%0.87376%0.758SS**  trans-147.8146.5148.6-175.90000107.5
278D28.9Very low32.9Very low141 Ų141144.8 Ų144.875%0.75476%0.761SS**  trans-110.4-166.9-168.3-58.4-83.7000114.7
279I35.1Very low32.7Very low155 Ų155142 Ų14280%0.79576%0.761SS**  trans94.992.8150-69.1159.3000119.4
280S32.2Very low32.5Very low94 Ų94145 Ų14566%0.65777%0.766SS**  81.1132.3120-61.60000124.9
281N31Very low32.3Very low165 Ų165145.7 Ų145.788%0.88277%0.766SS**  trans62.3122.2140.5-60.8-12.7000120.9
282G32.6Very low32.2Very low80 Ų80141.5 Ų141.583%0.82576%0.764SS**  trans175.9119.3163.300000112.7
283Q31.8Very low31.9Very low190 Ų190144 Ų14489%0.88878%0.775SS**  trans-87.2148.9-170.2-63.4160.6-70.100114.4
284S31.3Very low31.6Very low104 Ų104147 Ų14773%0.72778%0.781SS**  trans95.4155.6136.7850000121.5
285R32.2Very low31.2Very low226 Ų226146.5 Ų146.585%0.85378%0.778SS**  trans75.391.8160.7-65.6-174.3-179.5-150.8-2.2119.8
286C28.2Very low31.1Very low110 Ų110147.2 Ų147.274%0.74378%0.781SS**  69.6123.6112.3-64.70000121.2
287D31.7Very low31.1Very low153 Ų153150.3 Ų150.382%0.81878%0.78SS**  trans85.4146.5141.3-61.8-32000120.7
288P35.9Very low30.9Very low115 Ų115152.2 Ų152.275%0.74778%0.779SS**  trans-125.7145.7-146.637.4-21000114.6
289S30.9Very low31Very low113 Ų113151.7 Ų151.779%0.7978%0.776SS**  trans-172.4153.3137.745.50000114.2
290R29.4Very low30.8Very low214 Ų214151.8 Ų151.881%0.80878%0.778SS**  trans74.3119.6146.2-87-179.8171.2-156.5-2.9122.1
291F29.9Very low30.6Very low172 Ų172156.7 Ų156.775%0.75479%0.788SS**  trans89144.8138.7-80.1-63.8000122.4
292S31Very low30.6Very low84 Ų84155 Ų15559%0.58778%0.784SS**  trans57.2106.9166.5-68.90000118.1
293Q29.6Very low30.4Very low166 Ų166160.2 Ų160.278%0.77678%0.784SS**  75.2114.981.5-75.6168.2-53.800113.6
294Y28.9Very low30.3Very low234 Ų234156.6 Ų156.692%0.91878%0.777SS**  -167.4164.7114-104.2-71.8000110.4
295H27.9Very low30.2Very low143 Ų143157.2 Ų157.266%0.66278%0.781SS**  trans-100.1143.4-169.4-82-118.6000114.1Y297H295-Y297 HydrophobicContact CB-CD2 4.22Å; H295-Y297 HydrophobicContact CB-CE2 4.47Å; H295-Y297 AromaticContact ND1-CE2 3.67Å
296H31Very low30.4Very low189 Ų189152.6 Ų152.688%0.87578%0.781SS**  trans-160.2113.4131-10659.9000107.7
297Y28.1Very low30.6Very low165 Ų165150.8 Ų150.865%0.64778%0.781SS**  72.191.465.1-86.3-70.1000116.5H295H295-Y297 HydrophobicContact CB-CD2 4.22Å; H295-Y297 HydrophobicContact CB-CE2 4.47Å; H295-Y297 AromaticContact ND1-CE2 3.67Å
298Q31.8Very low30.4Very low184 Ų184149.7 Ų149.786%0.8678%0.78SS**  -171.296.7126.9-99.5176.130.400107.7
299N30.6Very low30.1Very low129 Ų129150.2 Ų150.269%0.6978%0.784SS**  69.992.991.4-77-1.3000115.3
300N30.1Very low30Very low157 Ų157151.9 Ų151.984%0.8478%0.784SS**  -154.8153.1123.7-103.5-29000111.2V302N300-V302 PolarHBondContact O-N 2.77Å
301F29.4Very low30.2Very low198 Ų198149.6 Ų149.687%0.86879%0.787SS**  trans-66.7123.2-153.6-86.5-103.7000116.2
302V30Very low30.2Very low130 Ų130147.5 Ų147.579%0.78878%0.784SS**  trans-111.3130.3159.6175.50000108.7N300N300-V302 PolarHBondContact O-N 2.77Å
303F28.8Very low30.1Very low189 Ų189149.4 Ų149.483%0.82979%0.792SS**PPolyproline II helixtrans-76.8130.9171.4-96.9-89.9000110.5
304P30.1Very low30Very low114 Ų114147.9 Ų147.974%0.7480%0.795SS**PPolyproline II helixtrans-75.7140.9-176.530-35000112.6
305S29Very low29.9Very low117 Ų117143.8 Ų143.882%0.81879%0.786SS**PPolyproline II helixtrans-76.4137.4163.7-60.50000110.4
306P37.1Very low29.9Very low129 Ų129147.5 Ų147.584%0.83880%0.796SS**PPolyproline II helixtrans-79.7124.6177.530.7-32.9000112
307G30.8Very low29.8Very low72 Ų72142.3 Ų142.374%0.74277%0.774SS**  trans55.4103.2144.800000118.8
308T28.9Very low29.9Very low130 Ų130143.7 Ų143.780%0.79879%0.786SS**  trans-66.1142.6150.143.40000110.2
309C29.8Very low29.9Very low125 Ų125140.9 Ų140.985%0.84578%0.776SS**  trans-132.9110.2155.445.80000107.2
310D27Very low29.8Very low148 Ų148142.2 Ų142.279%0.79178%0.784SS**  trans-79.9134.9177.7-63.6-64.2000110.1
311L33.8Very low30Very low166 Ų166140.6 Ų140.687%0.86979%0.785SS**  trans-147.5143.3145.8-152.870.6000109.8
312D30.7Very low30.1Very low128 Ų128134.7 Ų134.768%0.68478%0.779SS**  trans-30.2129.1-167.4-66.4-62.4000118.3
313T28.3Very low30.2Very low124 Ų124139 Ų13976%0.76178%0.782SS**  63.178.570.9-49.40000112.6
314T28.9Very low30.5Very low134 Ų134137 Ų13782%0.82278%0.775SS**  trans-145.7125.4137.8-25.90000110.8
315M25.6Very low30.6Very low149 Ų149137.6 Ų137.673%0.73477%0.771SS**  trans-63.2140162.4-79.1-101.8-70.600109.4
316Y28.7Very low30.7Very low221 Ų221140.2 Ų140.287%0.86777%0.768SS**  trans-152.1148.1131.3-111.5-73.3000111.6
317L27.5Very low30.6Very low80 Ų80140.1 Ų140.142%0.41977%0.766SS.*  trans-73.2149.6167.1-62.4110.7000109.5
318H31.7Very low30.7Very low193 Ų193139.9 Ų139.989%0.89476%0.763SS**  trans-126.5113.7148-119.9-78.7000109.3
319N30.3Very low30.9Very low125 Ų125144.2 Ų144.267%0.66877%0.766SS**  trans-79.4170.2170.4-65.3-26.8000109.8
320D29.7Very low31.1Very low157 Ų157145.9 Ų145.984%0.8477%0.766SS**  trans-51.9142.7159.4-56.1-84000111.7
321S34.2Very low31.2Very low124 Ų124142 Ų14287%0.86776%0.761SS**  trans171.592.9140.2-101.80000110.2
322G32.2Very low31.3Very low73 Ų73140 Ų14075%0.75376%0.761SS**  trans-90.5119.5163.500000110.3
323R31.4Very low31.2Very low221 Ų221139.8 Ų139.883%0.83477%0.769SS**  trans46.4114.6149.1-66.9-178.7178.9-158.90.7116.6
324H34.8Very low31.3Very low148 Ų148138.7 Ų138.769%0.68577%0.766SS**  cis177.7159.947.1-92.8-44.5000107.5
325D32.8Very low31.5Very low125 Ų125140.6 Ų140.667%0.66877%0.765SS**  cis-169.5-167.6-21.6-141.1100.5000109.8
326F31.2Very low31.7Very low172 Ų172141.4 Ų141.475%0.75477%0.767SS**  trans68.5112.5166.4-94.7-110000120.4
327T34.5Very low31.8Very low128 Ų128137.7 Ų137.779%0.78576%0.76SS**  trans19.6144.2134.665.10000121.2
328G32.7Very low31.8Very low66 Ų66142 Ų14268%0.6878%0.779SS**  cis154.6161.31.300000112.6
329Y34Very low31.9Very low221 Ų221141.5 Ų141.587%0.86777%0.774SS**  trans65.2115.2173-81.4-92.2000120.7
330L33.4Very low31.9Very low160 Ų160144.3 Ų144.384%0.83878%0.783SS**  trans21.2117.1132.1-75.6148.4000118.5
331G28.3Very low32Very low68 Ų68142.9 Ų142.970%0.70178%0.78SS**  trans-100.716316400000113.3
332S35.6Very low31.9Very low124 Ų124144.1 Ų144.187%0.86778%0.776SS**  trans-166.3104.2154.9-84.40000113.4
333S29.4Very low32Very low122 Ų122146.2 Ų146.285%0.85378%0.779SS**  trans67.3168.8152.7-147.60000121.3
334C30.1Very low31.9Very low101 Ų101142.3 Ų142.368%0.68278%0.775SS**  trans70.387.5162.8-69.20000121.6
335Q32.7Very low31.9Very low174 Ų174142.3 Ų142.381%0.81379%0.786SS**  64.2126.3121.2-66.4179.45.700123
336H29.9Very low32Very low167 Ų167142.6 Ų142.677%0.77379%0.794SS**  trans81.4137.4139.1-95.3-92.4000123.5
337I31.2Very low32.2Very low142 Ų142140 Ų14073%0.72880%0.797SS**  trans76.982.6152.9-55.6157.8000119.3
338Q28.6Very low32.3Very low171 Ų171141.7 Ų141.780%0.79980%0.801SS**  41140.8108.7-155176.71200122.4
339K33.8Very low32.2Very low182 Ų182144.7 Ų144.779%0.79181%0.808SS**  trans92.7125.7176.1-55.7176.6-178.7177.80113.1
340Q29.8Very low32.3Very low184 Ų184142.2 Ų142.286%0.8681%0.808SS**  59.6127.456.4-61.3-177.4-14.800111.4
341T32.1Very low32.3Very low127 Ų127138.7 Ų138.778%0.77980%0.802SS**  cis-140.4143.924.930.80000110.9
342L32Very low32.8Very low151 Ų151141.3 Ų141.379%0.79181%0.807SS**  72.3106.669.5-165.5106000115.7
343S33Very low32.6Very low116 Ų116143.8 Ų143.881%0.81181%0.81SS**  trans-156.1139.3149.358.70000110.7
344N30Very low32.8Very low140 Ų140142.7 Ų142.775%0.74981%0.808SS**  trans-123.1148-176.4-65.3-28.4000110.9
345T34.8Very low32.9Very low148 Ų148144.1 Ų144.191%0.90881%0.813SS**  trans-152.2135.2140.627.30000110.2
346P34.9Very low32.9Very low131 Ų131140.2 Ų140.285%0.85181%0.805SS**  trans-113.6166.9-174.340.8-34000114.6
347S34.8Very low32.9Very low116 Ų116142 Ų14281%0.81181%0.806SS**  trans-140.1121.3165.849.60000113.7
348L36.6Very low32.8Very low164 Ų164146.4 Ų146.486%0.85981%0.814SS**  trans21.7117.2154.5-62.9167.7000120.5
349P32Very low33Very low130 Ų130143 Ų14384%0.84481%0.809SS**  trans-85.9149.9165.535.2-33.2000112.8
350I34.5Very low32.6Very low168 Ų168140.2 Ų140.286%0.86281%0.811SS**  trans-124.3137.6168.7-64.2179000108.8
351A34.8Very low32.7Very low87 Ų87137.8 Ų137.872%0.71981%0.809SS**  trans-86.3144.6-171.100000113.8
352P37.3Very low32.5Very low122 Ų122143 Ų14379%0.79282%0.816SS**  trans-85.7119.5171.332.6-31.4000111.8
353L32.6Very low32.4Very low177 Ų177140.5 Ų140.593%0.92781%0.811SS**  trans-83.3110.4163-75.7172.6000109.4V355L353-V355 PolarHBondContact O-N 3.36Å
354A33.7Very low32.4Very low98 Ų98140.1 Ų140.181%0.8181%0.809SS**  trans-95.693.2179.600000111.9
355V31.6Very low32.5Very low132 Ų132141.5 Ų141.580%0.882%0.815SS**  trans-112.6119.9160.9178.60000107.6L353L353-V355 PolarHBondContact O-N 3.36Å
356S33.5Very low32.4Very low92 Ų92140.3 Ų140.364%0.64381%0.81SS**  trans-145.5105.3172.547.10000111.8
357Y28.7Very low32.2Very low204 Ų204139.4 Ų139.480%0.881%0.807SS**  trans-57.9140.9158-85.3-109.6000109.3
358W30.4Very low32.2Very low234 Ų234139.7 Ų139.789%0.88681%0.806SS**  trans-108.991.1168.6-89.956.2000110.6
359S31Very low32Very low100 Ų100139.9 Ų139.970%0.69981%0.808SS**  trans-81.3126.3163.7-63.40000108.8T361S359-T361 PolarHBondContact O-N 2.98Å
360C26.7Very low31.7Very low124 Ų124144.8 Ų144.884%0.83881%0.811SS**  trans-74.2116.4175.7-70.50000111
361T31.7Very low31.6Very low132 Ų132141.6 Ų141.681%0.8181%0.81SS**  trans-108.8108.7159.638.80000109.2S359S359-T361 PolarHBondContact O-N 2.98Å
362Y26.9Very low31.1Very low236 Ų236144.6 Ų144.693%0.92581%0.812SS**  trans-83.1119.2172.4-121.6-95.7000108.8
363S31.3Very low30.8Very low99 Ų99147 Ų14769%0.69281%0.813SS**  trans-143.4128.5173.6-72.60000112.3
364S32.6Very low30.7Very low109 Ų109145.8 Ų145.876%0.76280%0.802SS**  trans48.7114.2152.154.40000120.3
365L31Very low30.5Very low169 Ų169146.1 Ų146.189%0.88580%0.798SS**PPolyproline II helixtrans-63.6151.9150-71.668.8000110.4
366P33.4Very low30.6Very low122 Ų122147.5 Ų147.579%0.79280%0.796SS**PPolyproline II helixtrans-102.4153.5143.7-6.826.6000111.7
367S31.4Very low30.5Very low113 Ų113149.6 Ų149.679%0.7980%0.797SS**PPolyproline II helixtrans-77.5161.7174.4-60.80000112.4
368P35.1Very low30.7Very low122 Ų122145.6 Ų145.679%0.79279%0.79SS**PPolyproline II helixtrans-87.8132.1175.933.7-32.3000112.6
369D31.2Very low30.8Very low167 Ų167143.9 Ų143.989%0.89378%0.783SS**PPolyproline II helixtrans-101.7139.3164.9-77.5-48.7000110.7
370Y26.5Very low31Very low234 Ų234145.6 Ų145.692%0.91879%0.785SS**PPolyproline II helixtrans-96.1133.2170.8-103.7-92000110.1
371A31.3Very low31.4Very low100 Ų100144.7 Ų144.783%0.82678%0.775SS**  trans-131.1124165.700000110.4
372I24.8Very low31.6Very low150 Ų150144.1 Ų144.177%0.76977%0.772SS**  trans-85.8144.5171.1-63.2159000107.9
373Q31.1Very low31.9Very low173 Ų173138.6 Ų138.681%0.80876%0.763SS**  trans-169.2129.3135-82-142.7-28.900112.9
374H31.4Very low32.2Very low152 Ų152139.8 Ų139.870%0.70477%0.766SS**  trans33.6115.7137.5-62.3-87000119.9
375S29.7Very low32.2Very low104 Ų104140.8 Ų140.873%0.72776%0.762SS**  111.6156.681.166.40000110.2
376E32.6Very low32.5Very low161 Ų161137.4 Ų137.475%0.75275%0.749SS**  cis-142.4-176.924.3-69.1-171102.700114.8
377M31.7Very low32.6Very low136 Ų136139 Ų13967%0.6775%0.751SS**  trans-25.1148171.7-42.9-173.5-162.300118.2
378N33.4Very low32.8Very low121 Ų121137.8 Ų137.865%0.64774%0.742SS**  -156.1145.751.5-99.6-56.7000111.3
379R32.7Very low32.8Very low198 Ų198143.1 Ų143.175%0.74775%0.747SS**  48.4129.189.5-60.8-173.2-176151.9-1113.7
380N33.8Very low32.9Very low136 Ų136144.5 Ų144.573%0.72775%0.745SS**  cis-164.2170.913.3-101.51000107.6
381T35.6Very low33.3Very low105 Ų105138.8 Ų138.864%0.64474%0.736SS**  cis-167.7-172.8-2.320.40000108.9
382T35.2Very low33.3Very low120 Ų120139.7 Ų139.774%0.73674%0.735SS**  trans69.3130150.6360000119.2
383T34.6Very low33.7Very low119 Ų119140.7 Ų140.773%0.7374%0.736SS**  cis-169.5160.1-8.6-1.90000111.8
384V37.2Very low33.8Very low125 Ų125139.2 Ų139.276%0.75873%0.732SS**  trans70.5140151.4165.60000116.4
385N32.5Very low33.7Very low129 Ų129139.1 Ų139.169%0.6973%0.732SS**  cis-141.1125.89.9-141.511.6000114.9
386T37.1Very low33.6Very low99 Ų99140.5 Ų140.561%0.60773%0.727SS**  trans19.2144141.967.10000125.5
387N34.9Very low33.5Very low155 Ų155140.5 Ų140.583%0.82973%0.727SS**  trans79.5138.2138.3-70.8-18.8000120.2
388S35.9Very low33.2Very low88 Ų88143.4 Ų143.462%0.61574%0.736SS**  cis-161.31491.364.30000115.9
389R34.8Very low33.3Very low233 Ų233142.9 Ų142.988%0.87974%0.739SS**  trans64.7143.2154.1-63.4164.2-177.9-171.91.6117.5
390K33.4Very low33.1Very low196 Ų196137.9 Ų137.985%0.85274%0.735SS**  cis-160.9146.6-4.1-123.8-175.7178-168.90109.7
391P35.6Very low33.1Very low114 Ų114137.6 Ų137.674%0.7473%0.733SS**  trans-120.9165.2-17841.6-32.4000116.8
392C32Very low33Very low119 Ų119139.5 Ų139.580%0.80474%0.739SS**  trans-146129.8160.6-62.70000107.2
393H33.1Very low32.9Very low171 Ų171139.1 Ų139.179%0.79274%0.737SS**  65.113366.8-69.5-51.4000113.8
394I32.7Very low32.7Very low142 Ų142140.6 Ų140.673%0.72874%0.739SS**  cis-15614810.7-113.3156.1000111.5
395H29.2Very low32.5Very low151 Ų151138.2 Ų138.270%0.69973%0.727SS**  13.4157.8129.8-99.910.9000121
396E26.5Very low32.6Very low133 Ų133140.4 Ų140.462%0.62173%0.733SS**  cis-168.5-176.40.2-147.3171.7176.100111.7
397H32.2Very low32.5Very low161 Ų161139.5 Ų139.575%0.74573%0.731SS**  trans78.5140.7156.7-83.7-74.2000123.2
398F24.7Very low32.3Very low196 Ų196140.5 Ų140.586%0.8673%0.728SS**  trans-98167.8173.1-83.2-101.3000112.2
399P34.7Very low32.3Very low110 Ų110142.5 Ų142.571%0.71473%0.731SS**  trans-125.5173.4135.838.6-30.5000113.2
400S29.8Very low32.1Very low94 Ų94138 Ų13866%0.65773%0.725SS**  trans-121.6-178.5-166.544.30000114.4
401D33.4Very low31.9Very low129 Ų129132.8 Ų132.869%0.6971%0.713SS**  trans100.6139.2145.5-56.9-50.7000122.5
402N32.5Very low31.7Very low146 Ų146135.2 Ų135.278%0.78172%0.719SS**  trans76.6138.9145-73.5-25.1000120.8
403V33.1Very low31.9Very low112 Ų112135 Ų13568%0.67972%0.716SS**  cis-167.5168.5-11.575.60000111.1
404I32.2Very low31.7Very low150 Ų150138.3 Ų138.377%0.76972%0.721SS**  trans71.4135.8161.4-78.7170.5000117
405S32.6Very low31.6Very low75 Ų75136.5 Ų136.552%0.52472%0.722SS.*  cis-175.7165.3-8.358.90000113.5
406H35.1Very low31.5Very low175 Ų175136.1 Ų136.181%0.8173%0.725SS**  trans66.7149.5149.3-69-52.5000119.5
407S33.1Very low31.7Very low80 Ų80140.2 Ų140.256%0.55974%0.736SS**  cis178.4146.5-34.139.50000107
408F32.5Very low31.7Very low176 Ų176138.5 Ų138.577%0.77274%0.737SS**  -175.8143.779.2-109.5-100.8000110.7
409L34.2Very low31.9Very low130 Ų130134.9 Ų134.968%0.68173%0.731SS**  trans45.6124.3151.1-60.7178.1000120.6
410N31.3Very low32Very low139 Ų139135.7 Ų135.774%0.74374%0.736SS**  89.1148.553.2-74.720.3000114.1
411S29.5Very low31.9Very low85 Ų85138.5 Ų138.559%0.59474%0.743SS**  cis-178.4122-34.449.40000111.6
412L31Very low31.9Very low166 Ų166140.7 Ų140.787%0.86975%0.751SS**  trans60.9178157.1-69.1161.2000117.2
413P35.5Very low32Very low115 Ų115141 Ų14175%0.74775%0.751SS**  cis-125.4-171.4-17.219.95.3000115.1
414R29.9Very low31.7Very low239 Ų239144 Ų14490%0.90276%0.757SS**  trans-34.3154.9164.2-56.4164178167.1-2.9114.4
415S29.9Very low31.5Very low105 Ų105141.9 Ų141.973%0.73476%0.756SS**  -169.217454.158.40000116.8
416N27.2Very low31.7Very low143 Ų143143.3 Ų143.377%0.76576%0.764SS**  trans-34.8148172.1-43.5-23.6000118.4
417Y31.4Very low31.4Very low218 Ų218145.3 Ų145.386%0.85576%0.764SS**  -174.9115.3128.3-87.2-59.8000107.9
418T32.1Very low31.4Very low126 Ų126147.4 Ų147.477%0.77377%0.765SS**  86.2130.589.1-69.40000115.3
419T30.1Very low31.3Very low119 Ų119147 Ų14773%0.7377%0.766SS**PPolyproline II helixtrans-83.5148.7-177.751.10000114
420P35.3Very low30.8Very low128 Ų128146.6 Ų146.683%0.83177%0.773SS**PPolyproline II helixtrans-97.6119156.833.4-26.7000112
421L28.3Very low30.9Very low153 Ų153145.7 Ų145.780%0.80177%0.774SS**PPolyproline II helixtrans-101.5123.3159.7-96.2167.6000108.5
422M33.7Very low31Very low174 Ų174150.4 Ų150.486%0.85779%0.787SS**  trans-138.4121.1151.7-71.8-155.2-65.900107.4
423I33.6Very low30.9Very low152 Ų152148.2 Ų148.278%0.77979%0.786SS**  71.9131.360.7-59169.5000110.8
424H28Very low30.6Very low175 Ų175149.2 Ų149.281%0.8178%0.784SS**  trans-107.5161.7-163.5-98.237.4000113.4
425S27.2Very low30.8Very low106 Ų106147.3 Ų147.374%0.74179%0.786SS**  trans74.4159.3151-70.70000118.8
426P36.6Very low30.8Very low106 Ų106151.7 Ų151.769%0.68879%0.788SS**  cis-135.1-169.5-22.731.6-10.3000113.9
427R30.1Very low31Very low216 Ų216153 Ų15382%0.81579%0.793SS**  trans78.5152.4167.1-59.1173.2166.7-147.35.5116
428Q31.8Very low31.2Very low125 Ų125146.9 Ų146.958%0.58478%0.781SS**  cis-156.2145.4-15.4-116.8167.2-7200111.5
429Q30.5Very low31.5Very low166 Ų166150.6 Ų150.678%0.77679%0.787SS**  trans55.4129147.1-72.2162.4-45.700123.3
430C24.1Very low31.8Very low123 Ų123153.5 Ų153.583%0.83179%0.792SS**  trans-64.4173.4160.7-67.10000112.7
431P33.5Very low31.6Very low119 Ų119150.5 Ų150.577%0.77378%0.784SS**  cis-150.117731.243.8-22.2000120.8
432Q30.5Very low32.1Very low185 Ų185153.8 Ų153.886%0.86479%0.791SS**  trans10.3134155.2-63.3-177.7-17.800121.2
433S30.6Very low32.1Very low120 Ų120154.2 Ų154.284%0.83979%0.791SS**  -168.8165114.444.20000114.4
434N28.6Very low32Very low135 Ų135154.8 Ų154.872%0.72280%0.795SS**  trans-52.9156.8-172-48.9-42.1000117.4
435Q34.3Very low32.2Very low199 Ų199152.2 Ų152.293%0.9379%0.791SS**  -159.4167.6110.3-107169.156.900113.7
436Y29.8Very low32.3Very low197 Ų197153.1 Ų153.177%0.77379%0.793SS**  trans-98.2158.1-163.1-90.6-124.3000113.9
437L31.5Very low32.1Very low170 Ų170156 Ų15689%0.8980%0.802SS**  -171.9121.5120.1-102.4165.8000112
438P34.9Very low32Very low90 Ų90152.2 Ų152.258%0.58480%0.797SS**  trans-110.4163.6178.139.5-32.4000113.5
439F37.8Very low31.8Very low205 Ų205153.5 Ų153.590%0.89981%0.808SS**  trans-145.2155.9157-111.9-81.3000112.7
440H36.6Very low31.9Very low180 Ų180153.7 Ų153.783%0.83381%0.814SS**  trans-63.9158.9-176.3-69.7-3.9000114
441G32.3Very low32.1Very low65 Ų65153.3 Ų153.367%0.6781%0.808SS**  cis113.2111.30.600000114.2
442K38.6Very low32Very low221 Ų221155.3 Ų155.396%0.96181%0.812SS**  trans-161.9139.9156.4-110.4164.5-173177.30109.3
443Q32.4Very low31.8Very low183 Ų183155.5 Ų155.586%0.85581%0.813SS**  trans-150.6134.2-163.8174-167.92200109.1
444L31.8Very low31.8Very low165 Ų165155.7 Ų155.786%0.86481%0.809SS**  trans175.8141.4161.4-92.5138.8000107.2
445V33.4Very low31.6Very low120 Ų120161.1 Ų161.173%0.72782%0.819SS**  cis-153.5155.3-25.51050000108
446T27.8Very low31.6Very low126 Ų126157.9 Ų157.977%0.77381%0.807SS**  trans-80.8137.9176.643.60000112.8
447L32.4Very low31.3Very low167 Ų167156.3 Ų156.387%0.87481%0.812SS**  trans-138.1128.6157.3-116.5166.3000109.2
448N28.6Very low31.3Very low135 Ų135154 Ų15472%0.72281%0.805SS**  trans-98.4168.2-179.7-77-29.7000110.9
449N28.3Very low30.9Very low152 Ų152156.4 Ų156.481%0.81382%0.818SS**  trans67.4108.3167.7-54-15.5000116
450L32.8Very low30.6Very low171 Ų171151.3 Ų151.390%0.89581%0.808SS**  -162.2155.498.8-102.5156.6000111.4
451T27.6Very low30.2Very low114 Ų114149.8 Ų149.870%0.69981%0.806SS**  trans-72.8147.5172.346.40000111.1
452N31Very low30.1Very low162 Ų162156.7 Ų156.787%0.86682%0.818SS**  trans-168.8151.4137.5-95.7-22.4000112
453E26.6Very low29.8Very low188 Ų188154.8 Ų154.888%0.87981%0.812SS**  trans-78.3140.9167.6-51.9-177.812300110.5
454V31.4Very low29.7Very low125 Ų125151 Ų15176%0.75881%0.806SS**  trans-146.4128.9148.1-170.90000109.3I456V454-I456 HydrophobicContact CG1-CD1 4.34Å; V454-I456 HydrophobicContact CG1-CG1 3.94Å
455R24.8Very low29.6Very low248 Ų248150.5 Ų150.594%0.93680%0.804SS**  trans-79.5127162.9-68.8177.9175.2125.7-7.4109.4
456I32.6Very low29.7Very low131 Ų131152 Ų15267%0.67281%0.808SS**  trans-134.7124.4158.6-60.5-174.8000109.5V454 T458V454-I456 HydrophobicContact CG1-CD1 4.34Å; V454-I456 HydrophobicContact CG1-CG1 3.94Å; I456-T458 HydrophobicContact CG2-CG2 4.11Å
457N24.8Very low30Very low165 Ų165154.7 Ų154.788%0.88281%0.811SS**  trans-82.6130.8162.6-68.6-30.3000108.4
458T31.3Very low30.2Very low121 Ų121153.9 Ų153.974%0.74281%0.814SS**  trans-133.6107163.732.70000110.9I456I456-T458 HydrophobicContact CG2-CG2 4.11Å
459V26.3Very low30.5Very low140 Ų140159.1 Ų159.185%0.84882%0.823SS**  trans-77.3132156.8175.30000107.1
460S31.4Very low30.7Very low99 Ų99162.9 Ų162.969%0.69283%0.826SS**  trans-146.8140165.259.10000111.3
461N27.6Very low30.9Very low148 Ų148166.8 Ų166.879%0.79183%0.829SS**  trans-81.7133.9-174.6-65.3-56.3000111.1
462F30.2Very low31Very low210 Ų210171.7 Ų171.792%0.92184%0.835SS**  trans-88.5109.5156.2-91.5-87.2000109.2
463H33.7Very low31.4Very low181 Ų181171.6 Ų171.684%0.83883%0.829SS**  trans-111.3151.5168.8-133.975.4000110.5
464S29.4Very low32Very low104 Ų104169.9 Ų169.973%0.72782%0.821SS**  trans-66141.4-169.5-175.40000113.5
465N29.7Very low32.3Very low153 Ų153171.5 Ų171.582%0.81882%0.82SS**  trans-162.9122.3147.2-109.9-46.7000111.9
466N34.6Very low32.7Very low153 Ų153166.1 Ų166.182%0.81881%0.81SS**  trans-15478.4161-119-25.9000112.9
467Q35Very low32.9Very low181 Ų181162.4 Ų162.485%0.84680%0.803SS**  trans25.4114149.1-54.2-175.21200119.4
468T35.7Very low33.4Very low151 Ų151162.4 Ų162.493%0.92680%0.803SS**PPolyproline II helixtrans-98.2145158.7-340000110.6
469R36.7Very low33.6Very low244 Ų244160.5 Ų160.592%0.92180%0.8SS**PPolyproline II helixtrans-91135.3-164.9-163174.5-177.5-176.61.2113.4
470R31.6Very low34.1Very low231 Ų231159 Ų15987%0.87280%0.796SS**PPolyproline II helixtrans-49.9143.8-177.6-59.6170.7175166.2-3.3115.6
471R36.3Very low34.4Very low254 Ų254159.7 Ų159.796%0.95880%0.8SS**  -146.9161.3128.2-108.6173.7-176.1-174-0.5110.2
472R31.3Very low34.8Very low216 Ų216156 Ų15682%0.81580%0.797SS**  trans-108.4153.3-166.2-61.7171.3171.3161.5-6.8111.6
473H38.5Very low35Very low161 Ų161152.3 Ų152.375%0.74579%0.792SS**  -169.3173.9108.6-100-72.7000112
474H38.2Very low35Very low152 Ų152148.6 Ų148.670%0.70479%0.786SS**  trans-40.4163.2176.7-50-58000116.1
475Q38.7Very low35Very low159 Ų159149.1 Ų149.174%0.74379%0.785SS**  cis-166.6175.91.3-126.5-17461.400107.7
476N33.7Very low35.1Very low135 Ų135150.1 Ų150.172%0.72278%0.784SS**  cis-156.7175.3-9.5-154.8-9.7000109.6
477G36Very low34.9Very low52 Ų52150.4 Ų150.454%0.53678%0.781SS.*  trans86.8114.2168.600000113.8
478N35.1Very low34.5Very low165 Ų165150 Ų15088%0.88278%0.776SS**  84.2124.872.6-73.85.2000112.2
479A36.8Very low34.3Very low81 Ų81150 Ų15067%0.66977%0.766SS**  cis-159.5171.6-7.900000111
480S35.7Very low34.1Very low110 Ų110146.6 Ų146.677%0.76976%0.758SS**  trans26.9140151.155.60000121.2
481S38Very low34Very low112 Ų112142.4 Ų142.478%0.78375%0.753SS**  cis-174143.3-1.940.20000106.5
482G34.9Very low33.7Very low71 Ų71134.8 Ų134.873%0.73274%0.738SS**  75.4145.487.100000113.3
483V34.8Very low33.7Very low133 Ų133131.5 Ų131.581%0.80673%0.732SS**  cis-158.8154.5-7.2174.90000107
484S33.5Very low33.5Very low102 Ų102130 Ų13071%0.71372%0.723SS**  trans60.3132.3171.341.50000117.6
485V30.8Very low33.4Very low115 Ų115131.9 Ų131.970%0.69773%0.726SS**  cis83.3126.737.4178.50000113.1
486E31.4Very low33.2Very low174 Ų174129.2 Ų129.281%0.81373%0.725SS**  trans65144.1172.8-78.1135.5-147.100117.1
487E29.9Very low33.4Very low160 Ų160128.4 Ų128.475%0.74873%0.73SS**  cis-157.3142.7-14-172.1169.8-155.800111.9
488F26.9Very low33.4Very low171 Ų171129 Ų12975%0.7574%0.735SS**  trans60.9153160.9-93.2-124.6000124.4
489H31.1Very low33.5Very low152 Ų152129.4 Ų129.470%0.70474%0.738SS**  trans79.1116.3156.3-81.3-48.8000124.4
490K33.4Very low33.4Very low172 Ų172128.9 Ų128.975%0.74874%0.74SS**  trans82.8120.4138.6-70.2178.2179.9175.90121
491N28.2Very low33.4Very low143 Ų143128.8 Ų128.877%0.76574%0.739SS**  trans54.3116.5138.8-57.39.8000119.8
492S30.2Very low33.3Very low94 Ų94129.5 Ų129.566%0.65774%0.738SS**  169.5139.997.6-79.10000114.9
493Q31.9Very low33.3Very low148 Ų148132.8 Ų132.869%0.69274%0.738SS**  trans69.5157141.2-68.8173.132.800117.7
494K34.4Very low33.3Very low128 Ų128133.4 Ų133.456%0.55773%0.732SS**  cis-160.2150.84.8-130.2160.2-175.9158.20112
495Y35.1Very low33.4Very low193 Ų193135.9 Ų135.976%0.75773%0.732SS**  trans63154.7160.9-52.6-48000117.8
496S35.1Very low33.3Very low103 Ų103136.3 Ų136.372%0.7273%0.731SS**  cis180165.9-21.1-90.10000106.6
497S37.2Very low33.5Very low118 Ų118135.8 Ų135.883%0.82573%0.728SS**  cis-173.1162.1-21.149.80000106.1
498G36.9Very low33.5Very low63 Ų63132.8 Ų132.865%0.64973%0.725SS**  cis-174.9-165.23.300000110.8
499D36.3Very low33.4Very low175 Ų175133.6 Ų133.694%0.93673%0.731SS**  trans56.9134.1164.5-49.8-23.3000120.3
500G36.5Very low33.4Very low69 Ų69135 Ų13571%0.71174%0.738SS**  cis-165.2166.4-1.100000114.5
501S34.3Very low33.2Very low109 Ų109136.5 Ų136.576%0.76275%0.745SS**  trans-23.6139.6178.452.30000117.9
502V35.9Very low33.2Very low126 Ų126136.3 Ų136.376%0.76474%0.743SS**  -173.9145.280.3152.70000108.4
503L35.1Very low33.4Very low140 Ų140137.8 Ų137.873%0.73375%0.75SS**  cis-159.3-162.4-13.7-105-177.2000110.9
504H35Very low33.2Very low147 Ų147138.3 Ų138.368%0.68176%0.757SS**  trans-64.3165.7-178.7-70.2-147.5000116.4
505H35.7Very low33.1Very low154 Ų154137.8 Ų137.871%0.71377%0.77SS**  cis-149.6144.48.4-111.7-33000107.1
506N29.7Very low32.7Very low124 Ų124135.9 Ų135.966%0.66377%0.771SS**  58.5139.551.1-75.525000113.7
507Q33.6Very low32.5Very low162 Ų162138.7 Ų138.776%0.75778%0.776SS**  cis-167.1167.82.5-110.1173.5-103.400107
508S30.2Very low32Very low98 Ų98139.8 Ų139.869%0.68577%0.772SS**  cis-163.5172.1-15.832.80000108.9
509E25.2Very low31.8Very low187 Ų187144 Ų14487%0.87478%0.779SS**  trans-77.4148.1169.4-54.1174.812200111.8
510E30.9Very low31.5Very low182 Ų182141.7 Ų141.785%0.8577%0.767SS**  trans-162.3117.5139.2-128.9168.1-155.100115.6
511F30.3Very low31.3Very low203 Ų203144.8 Ų144.889%0.8977%0.767SS**  trans51152.8143.9-82.4-101.5000125.5
512I28.8Very low31.2Very low140 Ų140145.9 Ų145.972%0.71877%0.765SS**  trans-112153-176.9-27.2174.5000109
513P33Very low31Very low125 Ų125146.5 Ų146.581%0.81276%0.763SS**  -144.4164.8107.737.2-22.9000115.1
514N27.7Very low31.1Very low158 Ų158144.2 Ų144.285%0.84576%0.759SS**  trans-78.6144.4-175.3-37.9-75000113.5
515S32.1Very low31.2Very low118 Ų118142.9 Ų142.983%0.82576%0.757SS**  trans-145.3155.7148.2630000110.7
516I27Very low31.4Very low153 Ų153141.1 Ų141.179%0.78575%0.753SS**  trans-107.1132.6178.8-63.2164.8000107.7
517I31.3Very low31.7Very low161 Ų161140.9 Ų140.983%0.82675%0.752SS**  trans-153142.2149.6-97.1136.9000107.6
518I27Very low32Very low141 Ų141139.3 Ų139.372%0.72375%0.749SS**  trans-107.1133.2169.2-63.5164.9000105.5
519D33.1Very low32.4Very low152 Ų152142.2 Ų142.281%0.81375%0.751SS**  trans-159.1155.9145.7-110-37.4000112.3
520N28.8Very low33Very low127 Ų127137.4 Ų137.468%0.67974%0.739SS**  trans-100149.3-176.8-56.3-80.9000111.1
521N32.9Very low33.5Very low134 Ų134135.9 Ų135.972%0.71774%0.736SS**  162145.8112.6-85.2-48.4000112.7
522N31.5Very low34Very low132 Ų132132.1 Ų132.171%0.70673%0.725SS**  trans43.7136.2136.1-49.4-16.4000119.1
523N33.2Very low34.6Very low138 Ų138131.2 Ų131.274%0.73872%0.721SS**  cis-170.7165.527.3-131.77.9000110.7
524S35.9Very low34.8Very low93 Ų93131.2 Ų131.265%0.6571%0.714SS**  trans67.4149.9152.1-700000118.6
525N37.2Very low35.3Very low118 Ų118129 Ų12963%0.63170%0.702SS**  cis-159.3164.4-2.5-125.741.2000111.3
526D39.5Very low35.6Very low118 Ų118129.5 Ų129.563%0.63170%0.695SS**  trans64.3144.3148.5-56.9-28.8000120.8
527N37.9Very low36.3Very low119 Ų119130.3 Ų130.364%0.63670%0.695SS**  cis-164.1151.4-16-109.8-30.5000112.1
528N38.5Very low36.5Very low128 Ų128127 Ų12768%0.68468%0.684SS**  trans65.4153.1153-60.8-16.4000118.8
529Q39.7Very low36.7Very low159 Ų159127.8 Ų127.874%0.74369%0.69SS**  cis-154.7146.81.5-137.3160.2-4200112.5
530S37.5Very low36.8Very low87 Ų87125.5 Ų125.561%0.60869%0.685SS**  trans47.7137.6148.160.10000123
531D40.5Very low36.8Very low150 Ų150126.8 Ų126.880%0.80269%0.691SS**  cis-165.9-164.3-19.7-83.2-45.2000104.5
532D41.2Very low36.9Very low124 Ų124124.1 Ų124.166%0.66370%0.695SS**  cis-161.2179.64.2-154.9-7.3000110.7
533I41.4Very low37Very low121 Ų121122.2 Ų122.262%0.62170%0.697SS**  trans49.995149.3-74.1158.4000117.4
534N38.1Very low37Very low125 Ų125123 Ų12367%0.66870%0.7SS**  92.2148.379.8-77.8-22.6000114.2
535N37.4Very low36.8Very low110 Ų110126.2 Ų126.259%0.58870%0.703SS**  cis-162142.4-0.4-118.1-28.4000112.7
536N37.8Very low36.6Very low129 Ų129127.6 Ų127.669%0.6971%0.705SS**  trans60.4157142-59.7-26.6000121.3
537H41.4Very low36.1Very low170 Ų170128.2 Ų128.279%0.78771%0.709SS**  cis-146.6160.55.1-153.4-107.7000111.7
538P36.9Very low35.7Very low91 Ų91128.6 Ų128.659%0.59172%0.716SS**  trans-135.8-169-158.344.4-27.5000118
539L31.5Very low35.3Very low159 Ų159126.3 Ų126.383%0.83271%0.714SS**  trans86.5142.1150-73.6172000124.2
540S33.4Very low35Very low103 Ų103126.1 Ų126.172%0.7272%0.718SS**  trans114.993.7141.7-145.70000116.2
541I29.7Very low34.5Very low155 Ų155126 Ų12680%0.79573%0.73SS**  69.8116.582.7-62.7170.7000113.7
542G34Very low34.1Very low78 Ų78126.1 Ų126.180%0.80473%0.73SS**  trans-168.952.9-173.300000116.9
543A34.4Very low33.6Very low91 Ų91131 Ų13175%0.75274%0.739SS**  trans18.7136.9160.700000124.5
544L32.6Very low32.9Very low154 Ų154134.6 Ų134.681%0.80675%0.75SS**  trans101.9119.5132.2-118.579.8000123.3
545K33.1Very low32.5Very low162 Ų162134.2 Ų134.270%0.70476%0.756SS**  trans69.2107.7141.9-90-175.2177.4-178.50123.1
546Q31.6Very low32.2Very low147 Ų147137.2 Ų137.269%0.68777%0.766SS**  91.3127.3119.9-85.3177.6-13.900122.4
547N30Very low31.7Very low130 Ų130136.8 Ų136.870%0.69577%0.773SS**  trans90.893.9139.9-64.1-1.7000121.4
548T29.7Very low31.5Very low128 Ų128135 Ų13579%0.78577%0.769SS**  98.4116.4119.8-53.60000119.2
549A30.1Very low31.2Very low79 Ų79139.5 Ų139.565%0.65378%0.783SS**  trans49105.7153.600000119.8
550N32.8Very low31.3Very low155 Ų155135.6 Ų135.683%0.82977%0.767SS**  -167.9127.6108.4-95-39.2000112.1I552N550-I552 PolarHBondContact O-N 3.48Å; N550-I552 VanDerWaalsContact O-N 3.09Å
551G27.6Very low31.6Very low84 Ų84137 Ų13787%0.86677%0.767SS**  trans-84.972.4-172.900000114.4R553G551-R553 PolarHBondContact O-N 3.47Å
552I30.8Very low32.1Very low154 Ų154132.4 Ų132.479%0.7975%0.746SS**  trans-74.7103.6173.5-57.8177.1000109.6N550 K554N550-I552 PolarHBondContact O-N 3.48Å; N550-I552 VanDerWaalsContact O-N 3.09Å; I552-K554 PolarHBondContact O-N 2.93Å
553R31.9Very low33.1Very low225 Ų225132.6 Ų132.685%0.84973%0.728SS**  trans-75.8110.4167.2-75.3-167.1-70.2-108.41.1109.8G551 C555G551-R553 PolarHBondContact O-N 3.47Å; R553-C555 PolarHBondContact O-N 2.87Å
554K26.9Very low33.7Very low198 Ų198133.2 Ų133.286%0.86172%0.718SS**PPolyproline II helixtrans-57.2128.7164-70.4-177.1176-177.60108.9I552I552-K554 PolarHBondContact O-N 2.93Å
555C29.8Very low34.6Very low117 Ų117129.3 Ų129.379%0.79170%0.7SS**PPolyproline II helixtrans-96136.7163.9-63.30000108.1R553R553-C555 PolarHBondContact O-N 2.87Å
556H29.5Very low34.7Very low173 Ų173125.7 Ų125.780%0.80169%0.692SS**PPolyproline II helixtrans-69147.9167.2-100.7-117.2000110
557S28.4Very low34.9Very low119 Ų119122.2 Ų122.283%0.83268%0.681SS**  trans-107.286.7-175.7168.60000109.8
558D36.1Very low34.9Very low132 Ų132120.5 Ų120.571%0.70668%0.675SS**  trans-100.6141.2174.8-62.8-53.8000111.4
559Q31.1Very low35.1Very low187 Ų187120.6 Ų120.687%0.87468%0.676SS**  trans-51.4128.3-156.2-61169.20.600116.1
560C33.4Very low35.1Very low76 Ų76122.2 Ų122.251%0.51468%0.677SS.*  trans-145.5104.3163.8-83.50000110.1T562C560-T562 PolarHBondContact O-N 3.03Å
561N41.1Very low35Very low132 Ų132121.6 Ų121.671%0.70668%0.679SS**  trans-81.383.2-175.8-71.8-5.2000112.2I563N561-I563 PolarHBondContact O-N 3.43Å
562T38.6Very low35.2Very low59 Ų59123.1 Ų123.136%0.36267%0.672SS.*  trans-75109.6173.2-57.70000110.7A80 C560 I564A80-T562 HydrophobicContact CB-CG2 4.41Å; C560-T562 PolarHBondContact O-N 3.03Å; T562-I564 HydrophobicContact CG2-CG1 4.17Å
563I55.1Low35.2Very low82 Ų82122.2 Ų122.242%0.42167%0.674SS.*EExtended strand (participates in β ladder)trans-92114.6171.8-57.7177.3000108.4A80 K81 Y83 N561A80-I563 WeakPolarHBondContact CA-O 3.31Å; K81-I563 PolarHBondContact N-O 3.45Å; K81-I563 VanDerWaalsContact N-O 3.08Å; Y83-I563 HydrophobicContact CE2-CD1 4.39Å; N561-I563 PolarHBondContact O-N 3.43Å
564I47.4Very low35.2Very low105 Ų105117.6 Ų117.654%0.53867%0.671SS.*EExtended strand (participates in β ladder)trans-93.2131.7171.6-57.4177.1000108.1L165 T562L165-I564 HydrophobicContact CD2-CG2 4.2Å; T562-I564 HydrophobicContact CG2-CG1 4.17Å
565T52.2Low35.5Very low72 Ų72114.6 Ų114.644%0.44267%0.669SS.*EExtended strand (participates in β ladder)trans-122.4114.5175.6-53.50000110.1Q79Q79-T565 PolarHBondContact N-O 3.43Å; Q79-T565 PolarHBondContact O-N 2.93Å
566T34.4Very low35.6Very low85 Ų85115.2 Ų115.252%0.52167%0.67SS.*EExtended strand (participates in β ladder)trans-90.8118.7178.5-7.80000110L78L78-T566 HydrophobicContact CD2-CG2 3.57Å
567T36.2Very low35.5Very low75 Ų75112.9 Ų112.946%0.4667%0.668SS.*EExtended strand (participates in β ladder)trans-118.2102.3170.448.70000110.1N77N77-T567 PolarHBondContact O-OG1 3.46Å
568T30.4Very low35.8Very low93 Ų93113.7 Ų113.757%0.57167%0.668SS**  trans-92.9107.6178.622.10000111.4V76V76-T568 HydrophobicContact CG1-CG2 4.23Å
569T32.9Very low35.4Very low131 Ų131113.1 Ų113.180%0.80467%0.669SS**  trans-90.997.3165.846.70000109.8
570T30.7Very low35.6Very low112 Ų112110.6 Ų110.669%0.68767%0.667SS**  trans-84.6110.1175.1470000111.3T572T570-T572 PolarHBondContact O-N 2.99Å; T570-T572 PolarHBondContact O-OG1 2.74Å
571T31Very low35.4Very low142 Ų142112.5 Ų112.587%0.87168%0.676SS**  trans-76.1103.6165.590000109.8
572T30.8Very low35.1Very low116 Ų116112.8 Ų112.871%0.71268%0.683SS**  trans-94.7103.1-175.7-34.40000111.5T570 T574T570-T572 PolarHBondContact O-N 2.99Å; T570-T572 PolarHBondContact O-OG1 2.74Å; T572-T574 PolarHBondContact O-N 3.22Å
573T32.1Very low34.6Very low136 Ų136115.7 Ų115.783%0.83470%0.701SS**  trans-83.9112.5173.3-36.70000110
574T30.2Very low33.7Very low128 Ų128119 Ų11979%0.78573%0.725SS**  trans-93.4132-179.1-9.50000111.3T572T572-T574 PolarHBondContact O-N 3.22Å
575T33.2Very low32.8Very low135 Ų135120.1 Ų120.183%0.82874%0.737SS**  trans-138.3134.9165.2-30.20000109.6
576T32.7Very low32Very low130 Ų130123.9 Ų123.980%0.79876%0.76SS**  trans-95.2147.7-161.3-40.90000113.4
577T28Very low31.7Very low123 Ų123125.7 Ų125.776%0.75577%0.771SS**  trans-69.3142.9174.7-25.80000112.9
578T33.1Very low31.6Very low136 Ų136127.8 Ų127.883%0.83478%0.784SS**  trans-138.1121.115436.70000110.7
579T29.6Very low31.8Very low120 Ų120129 Ų12974%0.73679%0.791SS**  trans-78.3154.2175-28.10000110.8
580T33.6Very low31.8Very low134 Ų134128.3 Ų128.382%0.82279%0.787SS**  trans-143.9137.5159.1-45.20000109.2
581T29.7Very low32Very low117 Ų117129.6 Ų129.672%0.71880%0.795SS**  trans-118130.7-167.4-430000110
582T34.9Very low32.3Very low138 Ų138128.1 Ų128.185%0.84779%0.79SS**  trans-141127.8168.2-28.10000110.6
583T29.1Very low32.6Very low120 Ų120127.1 Ų127.174%0.73679%0.788SS**  trans-102.3138.9-176.446.80000112.4
584T34.9Very low32.9Very low151 Ų151125.6 Ų125.693%0.92678%0.783SS**  trans-152.7146.2146.33.50000111.9
585T28.4Very low33.2Very low129 Ų129124.1 Ų124.179%0.79178%0.778SS**  trans-110.5143.4-176.245.40000112.3
586T35Very low33.5Very low151 Ų151122.3 Ų122.393%0.92677%0.771SS**  trans-157.6155.4139.88.60000112.6
587T29Very low33.7Very low122 Ų122123.1 Ų123.175%0.74877%0.77SS**  trans-102.8161.6-18045.40000111.7
588T34.7Very low34.2Very low120 Ų120121.7 Ų121.774%0.73677%0.766SS**  167.3138.2112.5440000113.3
589T34.1Very low34.4Very low117 Ų117120.4 Ų120.472%0.71876%0.757SS**  trans36.7151.213966.10000122.5
590T32.8Very low34.8Very low117 Ų117120.9 Ų120.972%0.71876%0.761SS**  cis176.3148-18.637.30000106.3
591T34.7Very low35.1Very low140 Ų140118.3 Ų118.386%0.85975%0.753SS**  179.6155.6128.424.60000114.2
592S36.8Very low35.4Very low110 Ų110118 Ų11877%0.76976%0.755SS**  trans-52.1174.817756.30000117.7
593S37.6Very low35.7Very low95 Ų95117 Ų11766%0.66475%0.749SS**  cis-160.7164.423.457.90000115.3
594S37.9Very low36Very low104 Ų104117.4 Ų117.473%0.72775%0.747SS**  trans59.7142.614553.60000121.6
595S37.8Very low36.2Very low98 Ų98117.9 Ų117.969%0.68574%0.738SS**  cis-176152.3-6.946.30000112.2
596S38.5Very low36.5Very low97 Ų97119.5 Ų119.568%0.67874%0.74SS**  trans52.3140.1147.956.20000120.9
597N38.2Very low36.6Very low146 Ų146115.9 Ų115.978%0.78173%0.733SS**  cis-159.7144.810.7-105.9-8.9000111.5
598S37.6Very low37.1Very low94 Ų94118.4 Ų118.466%0.65774%0.736SS**  53.5150122.197.70000121.5
599T38.1Very low37.1Very low108 Ų108120.5 Ų120.566%0.66374%0.737SS**  cis-168.1149.84.42.20000112.5
600T38.5Very low37.1Very low131 Ų131123.5 Ų123.580%0.80474%0.743SS**  trans61.5149.2149.550.40000121.8
601A38Very low37Very low80 Ų80127 Ų12766%0.66175%0.749SS**  cis-171.4149.8-14.500000113.8
602S37.8Very low37Very low110 Ų110129.9 Ų129.977%0.76975%0.752SS**  trans62.7157.8142.3-57.80000121
603T39.9Very low36.6Very low116 Ų116135.4 Ų135.471%0.71276%0.756SS**  cis-157.1131.61.3-1.50000113
604D35.8Very low36.5Very low130 Ų130140.1 Ų140.170%0.69577%0.765SS**  trans53.8158.1130.3-60.6-2.7000127.9
605H39.7Very low36Very low161 Ų161141.1 Ų141.175%0.74576%0.762SS**  trans76.1114.6167.9-55.1-43000118.2
606I35Very low36Very low162 Ų162143.7 Ų143.783%0.83177%0.767SS**  cis83.2113.942.8-58.4168.6000113.4
607G36.8Very low35.6Very low75 Ų75147.1 Ų147.177%0.77377%0.773SS**  trans-174.1135.5172.700000112.7
608H38.7Very low35.3Very low176 Ų176144.1 Ų144.182%0.81577%0.768SS**  trans-90.5162.1-168.7-100.7-108.8000115.8
609H34.6Very low35.2Very low164 Ų164144.9 Ų144.976%0.75977%0.774SS**  trans-5.5140.6149.6-73.7-124.8000116.7
610Q33.9Very low35.2Very low179 Ų179145.9 Ų145.984%0.83678%0.779SS**  -175.5165.965.7-169.2153.8-2800113.2
611K30.4Very low34.8Very low192 Ų192146.6 Ų146.684%0.83578%0.778SS**  trans-49141.6-178-58.2170.5179.2173.40116.5
612Q35.6Very low34.6Very low200 Ų200150.4 Ų150.494%0.93578%0.783SS**  trans-154.6168.2130.1-113171.458.500112
613R28.4Very low34.3Very low226 Ų226151.1 Ų151.185%0.85378%0.778SS**  trans-104.3155.6-176.6-67.9172165.2163.5-7.9110.7
614F34.6Very low33.8Very low194 Ų194152 Ų15285%0.85178%0.783SS**  -167.5176.5111.7-114.5-81.1000112.4
615N29Very low33.5Very low125 Ų125151.5 Ų151.567%0.66878%0.784SS**  trans-93160.3-162.5-61.4-21.2000114.9
616L36.7Very low32.8Very low152 Ų152149.4 Ų149.480%0.79678%0.783SS**  -169.9115.3122.2-89.9152.4000105.6
617Q30.3Very low32.5Very low169 Ų169147.6 Ų147.679%0.7978%0.78SS**  60.113281.6-80.6-179.9-6000114.3
618A32.7Very low32Very low83 Ų83149.4 Ų149.469%0.68678%0.775SS**  cis-157.5-179.62.600000113.4
619S35.4Very low31.7Very low110 Ų110150.2 Ų150.277%0.76978%0.779SS**  trans77.7144.3170.5-56.60000115.7
620T37.3Very low31.5Very low128 Ų128147.4 Ų147.479%0.78578%0.778SS**  cis-146.6176.4-0.7-8.20000112.6
621N29.5Very low31.2Very low146 Ų146146.2 Ų146.278%0.78178%0.778SS**  trans-89.9174.6-176.7-43.8-29.7000110.8
622E34.6Very low31.4Very low161 Ų161146.1 Ų146.175%0.75278%0.78SS**  cis-144.9143.826.9-84.6-162.2-177.300116.6
623N32.2Very low31.1Very low125 Ų125145.4 Ų145.467%0.66878%0.776SS**  trans5883.2134.1-56.3-28.5000120.9
624V28.4Very low31.2Very low135 Ų135139.8 Ų139.882%0.81877%0.771SS**  trans-101124.7146.3174.50000108.6
625V30.2Very low30.9Very low118 Ų118138 Ų13872%0.71577%0.769SS**  trans-113.5110.6174.2178.60000109.8T627V625-T627 HydrophobicContact CG1-CG2 4.35Å
626T24.3Very low31Very low117 Ų117143.6 Ų143.672%0.71878%0.781SS**  trans-100.8111.6174.2-54.70000109.3
627T29.3Very low30.5Very low125 Ų125140.4 Ų140.477%0.76778%0.776SS**  trans-121.491.1170.940.70000110.9V625V625-T627 HydrophobicContact CG1-CG2 4.35Å
628T25.3Very low30.6Very low112 Ų112142.4 Ų142.469%0.68778%0.783SS**  trans-67.7141.8150.945.70000108.9
629H32.2Very low30.4Very low194 Ų194145.6 Ų145.690%0.89879%0.788SS**  trans-162.3149.9140.5-101.8-60.6000111.1
630S30.7Very low30.5Very low105 Ų105144.8 Ų144.873%0.73478%0.78SS**  trans-96.4161.5-172.153.10000112.9
631N27.1Very low30.1Very low154 Ų154144.5 Ų144.582%0.82478%0.779SS**  trans-49.3137.1166.5-62.6-31.3000112.2
632H35.4Very low30.3Very low190 Ų190143 Ų14388%0.8878%0.775SS**  trans-161.1140.3139.3-109.1-75.3000110.7
633H29.7Very low30.1Very low184 Ų184142.9 Ų142.985%0.85278%0.777SS**  trans-76.7139.4170.9-72.5-19.8000111.6
634S30.5Very low30.1Very low108 Ų108141.2 Ų141.276%0.75578%0.781SS**  -167116.2125.7-93.20000115.1
635I28.8Very low30.2Very low158 Ų158143.3 Ų143.381%0.8178%0.782SS**  32.298.4127.4-43.6173.3000117.3
636R29.5Very low30.3Very low242 Ų242143.2 Ų143.291%0.91378%0.782SS**  -166145.1111.2-104.8177.3-167.9-143.7-0.5111.3
637A27.3Very low30.8Very low85 Ų85144.8 Ų144.870%0.70279%0.785SS**  trans-99155.4168.500000109.9
638F32.1Very low30.8Very low211 Ų211149.4 Ų149.493%0.92579%0.789SS**  -165.1158.3128.2-97-64.1000109.9
639N27.5Very low31.3Very low149 Ų149150.8 Ų150.880%0.79779%0.792SS**  trans-159.7167.3-166.6-146.524.7000106.6
640P39Very low31.6Very low93 Ų93146.9 Ų146.960%0.60478%0.778SS**  cis-129.3-169.4-33.225.6-2.7000112.6
641T29.4Very low31.8Very low122 Ų122148 Ų14875%0.74878%0.775SS**  trans84.9151.5149.6-370000118.7
642V32.8Very low32.3Very low116 Ų116147 Ų14770%0.70377%0.771SS**  trans134.4108.7140.7175.10000115.6
643I30.9Very low32.5Very low157 Ų157143.8 Ų143.881%0.80576%0.76SS**  trans70.4154.5150.4-68.4170.5000120.1
644A31.6Very low32.9Very low91 Ų91140.9 Ų140.975%0.75275%0.75SS**  trans-144.9145.2176.700000111.4
645E31.5Very low33.1Very low178 Ų178142.5 Ų142.583%0.83275%0.751SS**  trans-151.7128.5166.8-96.7161.1-164.200105.7
646V31.7Very low33.6Very low117 Ų117141.6 Ų141.671%0.70975%0.747SS**  79.898.453.2179.40000113.7
647N33.6Very low33.8Very low149 Ų149137.6 Ų137.680%0.79774%0.744SS**  trans-170.2122.5143.2-84.5-39.2000105.6
648R29.3Very low34Very low222 Ų222141.7 Ų141.784%0.83875%0.754SS**  73.1144.356.9-77-162.3178.3-177.82.7114.4
649D37.2Very low33.9Very low142 Ų142136.7 Ų136.776%0.75975%0.745SS**  trans99.9134.9-174-65.96.9000114
650N37.1Very low34.1Very low112 Ų112134.3 Ų134.360%0.59974%0.74SS**  cis-157.6153.2-11.8-111.2-45.3000109.8
651N36.4Very low33.7Very low127 Ų127140.2 Ų140.268%0.67976%0.756SS**  trans33.6142.5141.9-53.2-18.7000120.7
652N37Very low33.8Very low135 Ų135139.9 Ų139.972%0.72276%0.759SS**  cis-171.1178.911.2-125.214000113
653N38.5Very low33.8Very low122 Ų122138.6 Ų138.665%0.65275%0.752SS**  trans80.1117.8159-69.526.2000121.2
654D39.8Very low34.1Very low122 Ų122137.3 Ų137.365%0.65275%0.746SS**  55.5110.4129.9-46-38.7000120
655N35.1Very low34.4Very low143 Ų143139.5 Ų139.577%0.76575%0.746SS**  98.5150.958.3-86.4-32.9000113.4
656D39.2Very low34.5Very low138 Ų138140 Ų14074%0.73874%0.74SS**  trans56.3108.2175.4-53.6-28.2000116.9
657N33.6Very low34.9Very low159 Ų159137.7 Ų137.785%0.8573%0.726SS**  -160.4151.562.5-92.3-89.2000114.2
658N30.7Very low35Very low171 Ų171135.3 Ų135.391%0.91471%0.713SS**  trans-86.9116.4171.9-83.5-59.7000112.6
659S29.1Very low35.5Very low105 Ų105130.6 Ų130.673%0.73470%0.701SS**  trans-162.4174145.977.60000112.5
660S31.6Very low35.4Very low99 Ų99129.3 Ų129.369%0.69269%0.69SS**  trans69.938.9153.9-52.80000119.3
661K31.2Very low35.5Very low217 Ų217130.5 Ų130.594%0.94369%0.69SS**  trans-114.667.1157.6-82-175.6176.9172.30112.3
662S31.1Very low35.6Very low115 Ų115130.3 Ų130.380%0.80469%0.685SS**SBendtrans-151.7-6.5174.2-166.10000116.5
663T34.4Very low35.5Very low89 Ų89129.7 Ų129.755%0.54668%0.678SS.*SBendtrans-103.8-25.8-164.940.90000115.7N665 R666T663-N665 VanDerWaalsContact C-N 3.34Å; T663-N665 PolarHBondContact O-N 3.35Å; T663-R666 PolarHBondContact O-N 2.94Å
664N36.2Very low35.2Very low130 Ų130132.1 Ų132.170%0.69568%0.679SS**THydrogen-bonded Turntrans-72.4-15.7-167-74.1-11.7000116.2
665N38Very low35Very low138 Ų138132.5 Ų132.574%0.73868%0.677SS**THydrogen-bonded Turntrans-83.3-29.8177.3-73.5-0.3000113.1T663T663-N665 VanDerWaalsContact C-N 3.34Å; T663-N665 PolarHBondContact O-N 3.35Å
666R33.2Very low35Very low187 Ų187132.5 Ų132.571%0.70667%0.672SS**Hα-helixtrans-79-27.3-174-143.6171.7-169171.31.8113.5T663 N668 E669 Q670T663-R666 PolarHBondContact O-N 2.94Å; R666-N668 VanDerWaalsContact C-N 3.34Å; R666-E669 PolarHBondContact O-N 3.49Å; R666-Q670 PolarHBondContact O-N 3.32Å
667V40.9Very low34.8Very low69 Ų69131.3 Ų131.342%0.41866%0.662SS.*Hα-helixtrans-69-31.5177.7179.70000111.9K671V667-K671 HydrophobicContact CG1-CD 4.46Å; V667-K671 WeakPolarHBondContact O-CB 3.28Å; V667-K671 WeakPolarHBondContact O-CG 3.41Å; V667-K671 PolarHBondContact O-N 2.94Å
668N36.5Very low35Very low99 Ų99130.9 Ų130.953%0.52965%0.649SS.*Hα-helixtrans-74.4-26.2177.6-79.8-17000113.1R666 Q672R666-N668 VanDerWaalsContact C-N 3.34Å; N668-Q672 WeakPolarHBondContact O-CG 3.39Å; N668-Q672 PolarHBondContact O-N 3.48Å; N668-Q672 PolarHBondContact O-NE2 2.73Å
669E38.2Very low35.4Very low124 Ų124128.2 Ų128.258%0.57963%0.627SS**Hα-helixtrans-74-48.5171.9-64.3-179.8136.900110.4R666 K671 Q672 Q673R666-E669 PolarHBondContact O-N 3.49Å; E669-K671 VanDerWaalsContact C-N 3.32Å; E669-K671 PolarHBondContact O-N 3.31Å; E669-Q672 PolarHBondContact O-N 2.72Å; E669-Q673 PolarHBondContact O-N 3.2Å
670Q36.3Very low35.7Very low115 Ų115127.9 Ų127.954%0.53762%0.618SS.*Hα-helixtrans-61.2-37177.6-71.3-179.3-29.300112.9R666 Q672 Q673 Y674R666-Q670 PolarHBondContact O-N 3.32Å; Q670-Q672 VanDerWaalsContact C-N 3.32Å; Q670-Q672 PolarHBondContact O-N 2.74Å; Q670-Q673 PolarHBondContact O-N 3.09Å; Q670-Y674 WeakPolarHBondContact O-CD2 3.44Å; Q670-Y674 PolarHBondContact O-N 3.4Å
671K39.6Very low35.9Very low137 Ų137127.7 Ų127.760%0.59662%0.616SS**Hα-helixtrans-65.3-30.1173.1-81.4-174.7175-178.10113.8V667 E669 Q675V667-K671 HydrophobicContact CG1-CD 4.46Å; V667-K671 WeakPolarHBondContact O-CB 3.28Å; V667-K671 WeakPolarHBondContact O-CG 3.41Å; V667-K671 PolarHBondContact O-N 2.94Å; E669-K671 VanDerWaalsContact C-N 3.32Å; E669-K671 PolarHBondContact O-N 3.31Å; K671-Q675 WeakPolarHBondContact O-CG 3.41Å; K671-Q675 PolarHBondContact O-N 3.31Å
672Q36.5Very low36.2Very low123 Ų123121.7 Ų121.758%0.57560%0.601SS**Hα-helixtrans-76.2-35.4173.7-75171.692.200111.6N668 E669 Q670 Q675 H676N668-Q672 WeakPolarHBondContact O-CG 3.39Å; N668-Q672 PolarHBondContact O-N 3.48Å; N668-Q672 PolarHBondContact O-NE2 2.73Å; E669-Q672 PolarHBondContact O-N 2.72Å; Q670-Q672 VanDerWaalsContact C-N 3.32Å; Q670-Q672 PolarHBondContact O-N 2.74Å; Q672-Q675 PolarHBondContact O-N 3.49Å; Q672-H676 PolarHBondContact O-N 2.88Å
673Q35Very low36.5Very low121 Ų121121.6 Ų121.657%0.56559%0.591SS**Hα-helixtrans-67.2-44.2177.9-158.8157.7-9.500111.8E669 Q670 Q675 H676 E677E669-Q673 PolarHBondContact O-N 3.2Å; Q670-Q673 PolarHBondContact O-N 3.09Å; Q673-Q675 PolarHBondContact O-N 3.3Å; Q673-H676 PolarHBondContact O-N 3.49Å; Q673-E677 PolarHBondContact O-N 3.43Å
674Y33.1Very low36.5Very low173 Ų173122.5 Ų122.568%0.67860%0.596SS**Hα-helixtrans-63.7-22.5171-88.9-72.5000114.3Q670Q670-Y674 WeakPolarHBondContact O-CD2 3.44Å; Q670-Y674 PolarHBondContact O-N 3.4Å
675Q34.6Very low36.3Very low131 Ų131119.9 Ų119.961%0.61260%0.6SS**Hα-helixtrans-79.1-16.4171.7-80.6-170.9-100113.6K671 Q672 Q673 Y679K671-Q675 WeakPolarHBondContact O-CG 3.41Å; K671-Q675 PolarHBondContact O-N 3.31Å; Q672-Q675 PolarHBondContact O-N 3.49Å; Q673-Q675 PolarHBondContact O-N 3.3Å; Q675-Y679 WeakPolarHBondContact O-CD2 3.39Å
676H36.2Very low36.1Very low142 Ų142121.9 Ų121.966%0.65761%0.607SS**Hα-helixtrans-85.4-53.6171.5-104-83.5000111.5Q672 Q673 Y678 Y679Q672-H676 PolarHBondContact O-N 2.88Å; Q673-H676 PolarHBondContact O-N 3.49Å; H676-Y678 VanDerWaalsContact C-N 3.33Å; H676-Y678 PolarHBondContact O-N 2.96Å; H676-Y679 PolarHBondContact O-N 3.2Å
677E35.7Very low36Very low114 Ų114121.3 Ų121.353%0.53361%0.612SS.*Hα-helixtrans-64.4-32.7-171.2-67177.7164.900113.7Q673 Y679 S681Q673-E677 PolarHBondContact O-N 3.43Å; E677-Y679 VanDerWaalsContact C-N 3.28Å; E677-Y679 PolarHBondContact O-N 3.16Å; E677-S681 PolarHBondContact O-OG 2.88Å
678Y36.9Very low35.6Very low149 Ų149127.5 Ų127.558%0.58463%0.634SS**Hα-helixtrans-71.1-17.8-177.9-153.6-82.7000114K185 H676K185-Y678 HydrophobicContact CD-CE1 4.36Å; H676-Y678 VanDerWaalsContact C-N 3.33Å; H676-Y678 PolarHBondContact O-N 2.96Å
679Y39.2Very low35.4Very low115 Ų115128.8 Ų128.845%0.45165%0.645SS.*Hα-helixtrans-92.3-34.6-177.8-80.4-87.9000113.3Q675 H676 E677 S681 S682Q675-Y679 WeakPolarHBondContact O-CD2 3.39Å; H676-Y679 PolarHBondContact O-N 3.2Å; E677-Y679 VanDerWaalsContact C-N 3.28Å; E677-Y679 PolarHBondContact O-N 3.16Å; Y679-S681 VanDerWaalsContact C-N 3.3Å; Y679-S681 PolarHBondContact O-N 3.03Å; Y679-S682 PolarHBondContact O-N 3.35Å; Y679-S682 VanDerWaalsContact O-N 3.14Å; Y679-S682 PolarHBondContact O-OG 2.97Å
680D34.8Very low35Very low99 Ų99130.2 Ų130.253%0.52966%0.657SS.*Hα-helixtrans-65.2-33.6-179.9-71.6-33.1000112.2S682 I683 T684D680-S682 PolarHBondContact O-N 3.22Å; D680-I683 PolarHBondContact O-N 2.61Å; D680-T684 PolarHBondContact O-N 3.03Å
681S36.7Very low34.7Very low95 Ų95131.7 Ų131.766%0.66467%0.673SS**THydrogen-bonded Turntrans-61.3-9174.6-49.30000114.9E677 Y679E677-S681 PolarHBondContact O-OG 2.88Å; Y679-S681 VanDerWaalsContact C-N 3.3Å; Y679-S681 PolarHBondContact O-N 3.03Å
682S37Very low34.2Very low90 Ų90133.8 Ų133.863%0.62969%0.687SS**THydrogen-bonded Turntrans-98.9-2.6174710000114.3Y679 D680Y679-S682 PolarHBondContact O-N 3.35Å; Y679-S682 VanDerWaalsContact O-N 3.14Å; Y679-S682 PolarHBondContact O-OG 2.97Å; D680-S682 PolarHBondContact O-N 3.22Å
683I37.7Very low33.9Very low114 Ų114133.2 Ų133.259%0.58570%0.697SS**THydrogen-bonded Turntrans-124.7-5.9-169.9-63.4-179.3000112.8D680 G685D680-I683 PolarHBondContact O-N 2.61Å; I683-G685 PolarHBondContact O-N 3.06Å
684T33.7Very low33.6Very low107 Ų107139.4 Ų139.466%0.65672%0.715SS**THydrogen-bonded Turntrans-61.88.917844.40000116.4D680D680-T684 PolarHBondContact O-N 3.03Å
685G31.9Very low33.5Very low75 Ų75137.9 Ų137.977%0.77372%0.719SS**THydrogen-bonded Turntrans-91.4-3.2178.700000116.6I683I683-G685 PolarHBondContact O-N 3.06Å
686M33.7Very low33.4Very low180 Ų180137.9 Ų137.989%0.88773%0.728SS**SBendtrans-131.910.1-175.7-75.5-168.5164.900115.7K688M686-K688 VanDerWaalsContact C-N 3.34Å; M686-K688 PolarHBondContact O-N 3.25Å
687E31.1Very low33Very low175 Ų175142.4 Ų142.482%0.81874%0.741SS**  trans-83.271.5180-168.5164.7-132.300112.3
688K32.4Very low32.8Very low200 Ų200146.7 Ų146.787%0.8776%0.758SS**  trans-156.229.9174.7-123161.3-168.8170.60117.2M686M686-K688 VanDerWaalsContact C-N 3.34Å; M686-K688 PolarHBondContact O-N 3.25Å
689V32.2Very low32.5Very low126 Ų126149 Ų14976%0.76477%0.77SS**SBendtrans-136.7133.6171.3-172.60000110.6
690N31Very low32.1Very low154 Ų154151.8 Ų151.882%0.82479%0.793SS**  trans68.455.1174.1-63.1-14.3000118.1
691T29.3Very low31.8Very low145 Ų145151.9 Ų151.989%0.8980%0.802SS**  trans-84.3105.2149.6420000110.4
692M29.4Very low31.6Very low181 Ų181155.9 Ų155.989%0.89281%0.808SS**  trans-130131.1160.7-73-132.677.200109
693S30.7Very low31.2Very low111 Ų111160.9 Ų160.978%0.77682%0.818SS**  trans-68.5149-165.2-57.30000114.2D695S693-D695 VanDerWaalsContact C-N 3.26Å; S693-D695 PolarHBondContact O-N 3.05Å
694R28.6Very low30.9Very low251 Ų251161 Ų16195%0.94783%0.829SS**SBendtrans-74.278.1163.9-79.4-172.8168.5114.5-8.2110.5
695D30.3Very low30.7Very low141 Ų141165.1 Ų165.175%0.75484%0.837SS**  trans-148.9170.2163.4-99.5-50.8000111S693S693-D695 VanDerWaalsContact C-N 3.26Å; S693-D695 PolarHBondContact O-N 3.05Å
696V32.8Very low30.8Very low132 Ų132167.3 Ų167.380%0.884%0.836SS**  trans66.662.6179.8-160.70000114.9
697Y28.7Very low30.6Very low237 Ų237165.4 Ų165.493%0.92983%0.83SS**  trans-131.937.7158.6-103-82.3000113.2
698K31Very low30.5Very low204 Ų204166.7 Ų166.789%0.88784%0.835SS**SBendtrans-143.162.2173.7-88.4-169176.3177.60113.3
699K29.5Very low30.6Very low196 Ų196163 Ų16385%0.85283%0.829SS**  trans-178.3112.9154.2-105.5161.6-175.3178.50110.2
700N31.6Very low30.6Very low174 Ų174162.7 Ų162.793%0.9382%0.824SS**  trans169.671.3147.4-88.4-7.5000108.3
701S28.2Very low30.8Very low101 Ų101159.7 Ų159.771%0.70682%0.82SS**  trans-100155.9165.6-173.50000109
702F31.6Very low31.1Very low180 Ų180159.3 Ų159.379%0.78981%0.811SS**  trans77137175.8-79.3-82.4000120.4
703K30Very low31.5Very low195 Ų195154.4 Ų154.485%0.84879%0.792SS**  trans6499.7161-62.3169.3-176.11790115.2
704S31.8Very low31.7Very low116 Ų116154.8 Ų154.881%0.81179%0.785SS**  -144.1153.873.4-164.50000115
705K28.9Very low32.1Very low193 Ų193146.6 Ų146.684%0.83976%0.763SS**  trans-98.8131.8161.1-70.2178.8176.2-1790108
706T33.5Very low32.3Very low122 Ų122144.6 Ų144.675%0.74875%0.752SS**  trans176.4151.4130.4310000112.7
707N30.4Very low32.5Very low140 Ų140140.5 Ų140.575%0.74973%0.732SS**  trans70.2114155.8-57.3-6.7000119.7T709N707-T709 PolarHBondContact O-N 3.21Å
708H28.8Very low32.7Very low201 Ų201133 Ų13393%0.93171%0.714SS**  trans-83.484.1177-80.6-105.9000112.9
709T34.1Very low33Very low122 Ų122127.5 Ų127.575%0.74869%0.693SS**  trans-147.950.2172.7480000114.1N707N707-T709 PolarHBondContact O-N 3.21Å
710N32.9Very low33.4Very low121 Ų121121 Ų12165%0.64767%0.672SS**  trans-151.742.3-178.2-109.3-46.2000116.5T713N710-T713 PolarHBondContact OD1-OG1 3.16Å
711A33.8Very low33.8Very low90 Ų90118.9 Ų118.974%0.74466%0.656SS**SBendtrans-86.9-19.4176.900000114.7
712I36Very low34.5Very low138 Ų138118 Ų11871%0.70864%0.644SS**SBendtrans-96-13-168-63.2172.6000112.6T715I712-T715 PolarHBondContact O-OG1 3.35Å
713T38.2Very low35.2Very low78 Ų78113.9 Ų113.948%0.47963%0.63SS.*Hα-helixtrans-84.6-28.3-173.837.10000114.2N710N710-T713 PolarHBondContact OD1-OG1 3.16Å
714N35.6Very low36.4Very low118 Ų118109.7 Ų109.763%0.63162%0.62SS**Hα-helixtrans-76.6-27.7-177.4-81.1-28.8000114.5A717 C718N714-A717 PolarHBondContact O-N 3.45Å; N714-C718 PolarHBondContact O-N 3.42Å
715T37Very low37.4Very low79 Ų79109.2 Ų109.249%0.48561%0.608SS.*Hα-helixtrans-63.3-43.6177.647.20000111.6I712 A717 C718 I719I712-T715 PolarHBondContact O-OG1 3.35Å; T715-A717 VanDerWaalsContact C-N 3.28Å; T715-A717 PolarHBondContact O-N 2.97Å; T715-C718 PolarHBondContact O-N 3.35Å; T715-C718 VanDerWaalsContact O-N 3.15Å; T715-I719 WeakPolarHBondContact O-CG1 3.48Å; T715-I719 PolarHBondContact O-N 3.34Å
716N34.4Very low38.6Very low100 Ų100101.2 Ų101.254%0.53557%0.574SS.*Hα-helixtrans-63.7-31.2179-69.7-31.6000113I719 S720N716-I719 PolarHBondContact O-N 2.93Å; N716-S720 PolarHBondContact O-N 3.28Å; N716-S720 PolarHBondContact O-OG 3.32Å
717A36Very low39.8Very low45 Ų4598.3 Ų98.337%0.37256%0.556SS.*Hα-helixtrans-69.9-36.5174.200000112.6N714 T715 S720 H721N714-A717 PolarHBondContact O-N 3.45Å; T715-A717 VanDerWaalsContact C-N 3.28Å; T715-A717 PolarHBondContact O-N 2.97Å; A717-S720 PolarHBondContact O-OG 3.02Å; A717-S720 VanDerWaalsContact O-OG 3.07Å; A717-H721 PolarHBondContact O-CD2 3.08Å; A717-H721 PolarHBondContact O-N 3.41Å
718C32.6Very low41.4Very low81 Ų8195.2 Ų95.255%0.54754%0.543SS..Hα-helixtrans-68.8-38.9173.1-62.80000112N714 T715 N722N714-C718 PolarHBondContact O-N 3.42Å; T715-C718 PolarHBondContact O-N 3.35Å; T715-C718 VanDerWaalsContact O-N 3.15Å; C718-N722 WeakPolarHBondContact O-CB 3.24Å; C718-N722 PolarHBondContact O-N 2.99Å; C718-N722 VanDerWaalsContact O-N 3.13Å
719I37.5Very low42.7Very low87 Ų8786 Ų8645%0.44650%0.502SS..Hα-helixtrans-66-42178-66.3163.3000111.1T715 N716 N722 N723T715-I719 WeakPolarHBondContact O-CG1 3.48Å; T715-I719 PolarHBondContact O-N 3.34Å; N716-I719 PolarHBondContact O-N 2.93Å; I719-N722 PolarHBondContact O-N 3.01Å; I719-N723 PolarHBondContact O-N 3.37Å
720S37.8Very low44.2Very low60 Ų6082.1 Ų82.142%0.4248%0.476SS..Hα-helixtrans-66.1-44.417867.80000112.5N716 A717 N722 N723 V724N716-S720 PolarHBondContact O-N 3.28Å; N716-S720 PolarHBondContact O-OG 3.32Å; A717-S720 PolarHBondContact O-OG 3.02Å; A717-S720 VanDerWaalsContact O-OG 3.07Å; S720-N722 VanDerWaalsContact C-N 3.33Å; S720-N722 PolarHBondContact O-N 2.71Å; S720-N723 PolarHBondContact O-N 3.48Å; S720-V724 WeakPolarHBondContact O-CG2 3.39Å; S720-V724 PolarHBondContact O-N 2.89Å
721H40.3Very low45.7Very low129 Ų12980.7 Ų80.760%0.59747%0.468SS*.Hα-helixtrans-60.7-39.6176.2-91.5-67.2000113.1A717 I725A717-H721 PolarHBondContact O-CD2 3.08Å; A717-H721 PolarHBondContact O-N 3.41Å; H721-I725 PolarHBondContact O-N 2.96Å
722N43.3Very low47.3Very low83 Ų8378.1 Ų78.144%0.44445%0.445SS..Hα-helixtrans-61.8-51.2173.5-77-11000110.7C718 I719 S720 V724 I725 I726C718-N722 WeakPolarHBondContact O-CB 3.24Å; C718-N722 PolarHBondContact O-N 2.99Å; C718-N722 VanDerWaalsContact O-N 3.13Å; I719-N722 PolarHBondContact O-N 3.01Å; S720-N722 VanDerWaalsContact C-N 3.33Å; S720-N722 PolarHBondContact O-N 2.71Å; N722-V724 VanDerWaalsContact C-N 3.32Å; N722-V724 PolarHBondContact O-N 2.91Å; N722-I725 PolarHBondContact O-N 2.98Å; N722-I726 HydrophobicContact CB-CD1 3.8Å; N722-I726 VanDerWaalsContact O-CB 3.25Å; N722-I726 WeakPolarHBondContact O-CB 3.32Å; N722-I726 WeakPolarHBondContact O-CD1 3.45Å; N722-I726 WeakPolarHBondContact O-CG1 3.37Å; N722-I726 PolarHBondContact O-N 3.47Å
723N47Very low48.5Very low93 Ų9371.8 Ų71.850%0.49741%0.413SS..Hα-helixtrans-61.2-36.2-178.9-72.7-11.1000113.2I719 S720 I725 T727I719-N723 PolarHBondContact O-N 3.37Å; S720-N723 PolarHBondContact O-N 3.48Å; N723-I725 PolarHBondContact O-N 3.01Å; N723-T727 WeakPolarHBondContact O-CB 3.47Å; N723-T727 PolarHBondContact O-N 3.5Å; N723-T727 PolarHBondContact O-OG1 2.98Å
724V53.7Low49.8Very low107 Ų10770.4 Ų70.465%0.64840%0.404SS*.Hα-helixtrans-65.8-34.7179.5168.20000113.1S720 N722 P728S720-V724 WeakPolarHBondContact O-CG2 3.39Å; S720-V724 PolarHBondContact O-N 2.89Å; N722-V724 VanDerWaalsContact C-N 3.32Å; N722-V724 PolarHBondContact O-N 2.91Å; V724-P728 VanDerWaalsContact O-CD 3.22Å; V724-P728 WeakPolarHBondContact O-CD 3.34Å; V724-P728 VanDerWaalsContact O-CG 3.23Å; V724-P728 WeakPolarHBondContact O-CG 3.37Å
725I53.6Low51.2Low107 Ų10767.9 Ų67.955%0.54940%0.395SS..Hα-helixtrans-91.9-39.3-178.4-60.5173.6000111.5H721 N722 N723 T729H721-I725 PolarHBondContact O-N 2.96Å; N722-I725 PolarHBondContact O-N 2.98Å; N723-I725 PolarHBondContact O-N 3.01Å; I725-T729 PolarHBondContact O-OG1 3.19Å
726I54.2Low52.5Low24 Ų2467 Ų6712%0.12338%0.383CS..Hα-helixtrans-79.5-44.7-171.1-60.3165.3000111.2T32 Y36 N722 T729 I730T32-I726 HydrophobicContact CG2-CD1 3.75Å; T32-I726 HydrophobicContact CG2-CG1 4.32Å; Y36-I726 HydrophobicContact CE2-CG2 3.61Å; Y36-I726 WeakPolarHBondContact OH-CG2 3.29Å; N722-I726 HydrophobicContact CB-CD1 3.8Å; N722-I726 VanDerWaalsContact O-CB 3.25Å; N722-I726 WeakPolarHBondContact O-CB 3.32Å; N722-I726 WeakPolarHBondContact O-CD1 3.45Å; N722-I726 WeakPolarHBondContact O-CG1 3.37Å; N722-I726 PolarHBondContact O-N 3.47Å; I726-T729 CarbonylContact O-C 3.58Å; I726-T729 WeakPolarHBondContact O-CA 3.32Å; I726-T729 WeakPolarHBondContact O-CB 3.17Å; I726-T729 PolarHBondContact O-N 3.26Å; I726-I730 HydrophobicContact CG2-CD1 3.72Å; I726-I730 HydrophobicContact CG2-CG1 4.03Å; I726-I730 WeakPolarHBondContact O-CG1 3.39Å; I726-I730 PolarHBondContact O-N 3.25Å
727T59Low53.9Low62 Ų6263.7 Ų63.738%0.3837%0.365SS..Hα-helixtrans-56.5-48.8-178-46.80000114N723 T729 I730 N731N723-T727 WeakPolarHBondContact O-CB 3.47Å; N723-T727 PolarHBondContact O-N 3.5Å; N723-T727 PolarHBondContact O-OG1 2.98Å; T727-T729 VanDerWaalsContact C-N 3.25Å; T727-T729 PolarHBondContact O-N 2.98Å; T727-I730 PolarHBondContact O-N 3.49Å; T727-N731 WeakPolarHBondContact O-CB 3.28Å; T727-N731 VanDerWaalsContact O-CG 3.29Å; T727-N731 PolarHBondContact O-N 3.2Å; T727-N731 PolarHBondContact O-ND2 3.4Å
728P63.1Low55.2Low74 Ų7467.8 Ų67.848%0.48138%0.375SS..Hα-helixtrans-66.1-28.2175.626.4-34.6000112.6V724 S732V724-P728 VanDerWaalsContact O-CD 3.22Å; V724-P728 WeakPolarHBondContact O-CD 3.34Å; V724-P728 VanDerWaalsContact O-CG 3.23Å; V724-P728 WeakPolarHBondContact O-CG 3.37Å; P728-S732 VanDerWaalsContact O-CB 3.26Å; P728-S732 WeakPolarHBondContact O-CB 3.2Å; P728-S732 PolarHBondContact O-N 3.06Å
729T57.2Low56.6Low9 Ų967.3 Ų67.36%0.05537%0.369CS..Hα-helixtrans-69-47.8174.6-55.30000111.3K28 I725 I726 T727 N731 S732 V733K28-T729 HydrophobicContact CB-CG2 3.95Å; K28-T729 HydrophobicContact CD-CG2 3.64Å; K28-T729 WeakPolarHBondContact CD-OG1 3.16Å; K28-T729 HydrophobicContact CG-CG2 4.45Å; I725-T729 PolarHBondContact O-OG1 3.19Å; I726-T729 CarbonylContact O-C 3.58Å; I726-T729 WeakPolarHBondContact O-CA 3.32Å; I726-T729 WeakPolarHBondContact O-CB 3.17Å; I726-T729 PolarHBondContact O-N 3.26Å; T727-T729 VanDerWaalsContact C-N 3.25Å; T727-T729 PolarHBondContact O-N 2.98Å; T729-N731 VanDerWaalsContact C-N 3.31Å; T729-N731 PolarHBondContact O-N 3.43Å; T729-S732 PolarHBondContact O-N 3.46Å; T729-V733 WeakPolarHBondContact O-CG2 3.43Å; T729-V733 PolarHBondContact O-N 3.31Å
730I64.5Low57.4Low40 Ų4064.4 Ų64.421%0.20535%0.354CS..Hα-helixtrans-57.9-46.3172.8-63.9169.3000110.2Y36 I39 I726 T727 V733 T734Y36-I730 HydrophobicContact CE1-CD1 3.63Å; Y36-I730 HydrophobicContact CE1-CG1 4.28Å; Y36-I730 HydrophobicContact CE2-CD1 4.43Å; I39-I730 HydrophobicContact CD1-CG2 4.46Å; I726-I730 HydrophobicContact CG2-CD1 3.72Å; I726-I730 HydrophobicContact CG2-CG1 4.03Å; I726-I730 WeakPolarHBondContact O-CG1 3.39Å; I726-I730 PolarHBondContact O-N 3.25Å; T727-I730 PolarHBondContact O-N 3.49Å; I730-V733 PolarHBondContact O-N 3.29Å; I730-T734 WeakPolarHBondContact O-CB 3.44Å; I730-T734 PolarHBondContact O-N 3.48Å; I730-T734 PolarHBondContact O-OG1 3.27Å
731N65.6Low58.3Low90 Ų9068.2 Ų68.248%0.48136%0.363SS..Hα-helixtrans-66.7-38.5-178.1-72.9-16.3000112T727 T729 S735T727-N731 WeakPolarHBondContact O-CB 3.28Å; T727-N731 VanDerWaalsContact O-CG 3.29Å; T727-N731 PolarHBondContact O-N 3.2Å; T727-N731 PolarHBondContact O-ND2 3.4Å; T729-N731 VanDerWaalsContact C-N 3.31Å; T729-N731 PolarHBondContact O-N 3.43Å; N731-S735 WeakPolarHBondContact O-CB 3.48Å; N731-S735 PolarHBondContact O-N 2.87Å; N731-S735 PolarHBondContact O-OG 2.78Å
732S66.8Low59Low36 Ų3667.5 Ų67.525%0.25236%0.36SS..Hα-helixtrans-58.3-59.9170.6176.20000110.8P728 T729 T734 S735 R736P728-S732 VanDerWaalsContact O-CB 3.26Å; P728-S732 WeakPolarHBondContact O-CB 3.2Å; P728-S732 PolarHBondContact O-N 3.06Å; T729-S732 PolarHBondContact O-N 3.46Å; S732-T734 PolarHBondContact O-N 3.48Å; S732-S735 PolarHBondContact O-N 3.46Å; S732-R736 WeakPolarHBondContact O-CB 3.21Å; S732-R736 WeakPolarHBondContact O-CD 3.43Å; S732-R736 VanDerWaalsContact O-CG 3.24Å; S732-R736 WeakPolarHBondContact O-CG 3.43Å; S732-R736 PolarHBondContact O-N 3.31Å; S732-R736 PolarHBondContact OG-NE 2.89Å
733V61.5Low59.1Low6 Ų667.9 Ų67.94%0.03636%0.362CS..Hα-helixtrans-61.6-43.1-176.4175.90000111.4D25 I39 T729 I730 S735 R736 I737D25-V733 HydrophobicContact CB-CG2 3.89Å; D25-V733 VanDerWaalsContact OD2-CG2 3.32Å; D25-V733 WeakPolarHBondContact OD2-CG2 3.49Å; I39-V733 HydrophobicContact CG2-CB 4.4Å; I39-V733 HydrophobicContact CG2-CG1 3.53Å; T729-V733 WeakPolarHBondContact O-CG2 3.43Å; T729-V733 PolarHBondContact O-N 3.31Å; I730-V733 PolarHBondContact O-N 3.29Å; V733-S735 PolarHBondContact O-N 3.49Å; V733-R736 PolarHBondContact O-N 3.24Å; V733-I737 HydrophobicContact CG1-CD1 3.63Å; V733-I737 HydrophobicContact CG1-CG1 4.38Å; V733-I737 WeakPolarHBondContact O-CB 3.42Å; V733-I737 VanDerWaalsContact O-CG1 3.22Å; V733-I737 WeakPolarHBondContact O-CG1 3.48Å; V733-I737 PolarHBondContact O-N 2.85Å
734T64.2Low59.1Low48 Ų4868.7 Ų68.729%0.29436%0.361SS..Hα-helixtrans-65.9-37.1177.5-57.20000112I730 S732 K738I730-T734 WeakPolarHBondContact O-CB 3.44Å; I730-T734 PolarHBondContact O-N 3.48Å; I730-T734 PolarHBondContact O-OG1 3.27Å; S732-T734 PolarHBondContact O-N 3.48Å; T734-K738 HydrophobicContact CG2-CD 4.42Å; T734-K738 VanDerWaalsContact O-CG 3.28Å; T734-K738 WeakPolarHBondContact O-CG 3.49Å; T734-K738 PolarHBondContact O-N 2.88Å
735S65.5Low58.9Low65 Ų6570.2 Ų70.246%0.45536%0.359SS..Hα-helixtrans-70-44.6176.3-57.70000111.1N731 S732 V733 I737 K738 T739N731-S735 WeakPolarHBondContact O-CB 3.48Å; N731-S735 PolarHBondContact O-N 2.87Å; N731-S735 PolarHBondContact O-OG 2.78Å; S732-S735 PolarHBondContact O-N 3.46Å; V733-S735 PolarHBondContact O-N 3.49Å; S735-I737 PolarHBondContact O-N 3.06Å; S735-K738 WeakPolarHBondContact O-CB 3.48Å; S735-K738 PolarHBondContact O-N 2.89Å; S735-K738 VanDerWaalsContact O-N 3.1Å; S735-T739 PolarHBondContact O-N 3.27Å; S735-T739 PolarHBondContact O-OG1 2.88Å
736R64.7Low58.3Low62 Ų6272.3 Ų72.323%0.23436%0.361CS..Hα-helixtrans-56.7-47.3173.6-68.6161.2180-105.6-10.2111.5E21 S732 V733 K738 T739 I740E21-R736 IonicContact OE1-NH2 2.74Å; E21-R736 IonicContact OE2-CZ 3.17Å; E21-R736 IonicContact OE2-NH1 3.9Å; E21-R736 PolarHBondContact OE2-NH1 3.1Å; E21-R736 IonicContact OE2-NH2 2.68Å; E21-R736 PolarHBondContact OE2-NH2 2.78Å; S732-R736 WeakPolarHBondContact O-CB 3.21Å; S732-R736 WeakPolarHBondContact O-CD 3.43Å; S732-R736 VanDerWaalsContact O-CG 3.24Å; S732-R736 WeakPolarHBondContact O-CG 3.43Å; S732-R736 PolarHBondContact O-N 3.31Å; S732-R736 PolarHBondContact OG-NE 2.89Å; V733-R736 PolarHBondContact O-N 3.24Å; R736-K738 VanDerWaalsContact C-N 3.31Å; R736-K738 PolarHBondContact O-N 3.35Å; R736-T739 WeakPolarHBondContact O-CB 3.45Å; R736-T739 PolarHBondContact O-N 2.88Å; R736-I740 WeakPolarHBondContact O-CD1 3.48Å; R736-I740 WeakPolarHBondContact O-CG1 3.46Å; R736-I740 PolarHBondContact O-N 2.93Å
737I63.4Low57.6Low30 Ų3076.8 Ų76.815%0.15439%0.385CS..Hα-helixtrans-62.9-34.3176.2-70.2168000112L42 V733 S735 K741L42-I737 HydrophobicContact CB-CD1 3.98Å; L42-I737 HydrophobicContact CD1-CD1 4.23Å; V733-I737 HydrophobicContact CG1-CD1 3.63Å; V733-I737 HydrophobicContact CG1-CG1 4.38Å; V733-I737 WeakPolarHBondContact O-CB 3.42Å; V733-I737 VanDerWaalsContact O-CG1 3.22Å; V733-I737 WeakPolarHBondContact O-CG1 3.48Å; V733-I737 PolarHBondContact O-N 2.85Å; S735-I737 PolarHBondContact O-N 3.06Å; I737-K741 HydrophobicContact CG2-CD 4.46Å; I737-K741 WeakPolarHBondContact O-CB 3.25Å; I737-K741 WeakPolarHBondContact O-CG 3.39Å; I737-K741 PolarHBondContact O-N 2.69Å
738K64.4Low57.1Low131 Ų13178.3 Ų78.357%0.5739%0.39SS*.Hα-helixtrans-65.3-44.5172.6-76.8168.1179.2176.40111.6T734 S735 R736 K741 Q742T734-K738 HydrophobicContact CG2-CD 4.42Å; T734-K738 VanDerWaalsContact O-CG 3.28Å; T734-K738 WeakPolarHBondContact O-CG 3.49Å; T734-K738 PolarHBondContact O-N 2.88Å; S735-K738 WeakPolarHBondContact O-CB 3.48Å; S735-K738 PolarHBondContact O-N 2.89Å; S735-K738 VanDerWaalsContact O-N 3.1Å; R736-K738 VanDerWaalsContact C-N 3.31Å; R736-K738 PolarHBondContact O-N 3.35Å; K738-K741 PolarHBondContact O-N 3.37Å; K738-Q742 WeakPolarHBondContact O-CG 3.25Å; K738-Q742 PolarHBondContact O-N 2.91Å
739T61.2Low56.2Low71 Ų7180.2 Ų80.244%0.43639%0.391SS..Hα-helixtrans-59.2-51.5174.5-47.90000111.2S735 R736 K741 Q742 D743S735-T739 PolarHBondContact O-N 3.27Å; S735-T739 PolarHBondContact O-OG1 2.88Å; R736-T739 WeakPolarHBondContact O-CB 3.45Å; R736-T739 PolarHBondContact O-N 2.88Å; T739-K741 PolarHBondContact O-N 3.28Å; T739-K741 VanDerWaalsContact O-N 3.17Å; T739-Q742 CarbonylContact O-C 3.32Å; T739-Q742 WeakPolarHBondContact O-CA 3.29Å; T739-Q742 WeakPolarHBondContact O-CB 3.33Å; T739-Q742 PolarHBondContact O-N 3.32Å; T739-D743 PolarHBondContact O-N 3Å
740I54.9Low55.4Low26 Ų2684.6 Ų84.613%0.13341%0.414CS..Hα-helixtrans-55.7-38.4177.5-64.2155.6000112E46 R736 K744E46-I740 VanDerWaalsContact CD-CD1 3.45Å; E46-I740 HydrophobicContact CG-CD1 3.82Å; R736-I740 WeakPolarHBondContact O-CD1 3.48Å; R736-I740 WeakPolarHBondContact O-CG1 3.46Å; R736-I740 PolarHBondContact O-N 2.93Å; I740-K744 HydrophobicContact CG2-CD 4.35Å; I740-K744 WeakPolarHBondContact O-CG 3.47Å; I740-K744 PolarHBondContact O-N 3.33Å; I740-K744 VanDerWaalsContact O-N 3.11Å
741K57.1Low54.4Low140 Ų14086.1 Ų86.161%0.60943%0.425SS*.Hα-helixtrans-71.6-32.4175.7-76.7-174.7177-170.60112.9I737 K738 T739 K745I737-K741 HydrophobicContact CG2-CD 4.46Å; I737-K741 WeakPolarHBondContact O-CB 3.25Å; I737-K741 WeakPolarHBondContact O-CG 3.39Å; I737-K741 PolarHBondContact O-N 2.69Å; K738-K741 PolarHBondContact O-N 3.37Å; T739-K741 PolarHBondContact O-N 3.28Å; T739-K741 VanDerWaalsContact O-N 3.17Å; K741-K745 WeakPolarHBondContact O-CB 3.5Å; K741-K745 PolarHBondContact O-N 3.38Å
742Q53.5Low53.3Low113 Ų11386.4 Ų86.453%0.52842%0.423SS..Hα-helixtrans-67.5-47.5171.5-73.3175.1-47.200110.9K738 T739 K744 K745 Y746K738-Q742 WeakPolarHBondContact O-CG 3.25Å; K738-Q742 PolarHBondContact O-N 2.91Å; T739-Q742 CarbonylContact O-C 3.32Å; T739-Q742 WeakPolarHBondContact O-CA 3.29Å; T739-Q742 WeakPolarHBondContact O-CB 3.33Å; T739-Q742 PolarHBondContact O-N 3.32Å; Q742-K744 VanDerWaalsContact C-N 3.35Å; Q742-K744 PolarHBondContact O-N 3.05Å; Q742-K745 CarbonylContact O-C 3.56Å; Q742-K745 WeakPolarHBondContact O-CA 3.42Å; Q742-K745 WeakPolarHBondContact O-CB 3.34Å; Q742-K745 PolarHBondContact O-N 2.91Å; Q742-Y746 HydrophobicContact CB-CD2 4.49Å; Q742-Y746 HydrophobicContact CB-CE2 4.36Å; Q742-Y746 WeakPolarHBondContact O-CD2 3.39Å; Q742-Y746 PolarHBondContact O-N 3.07Å
743D45.6Very low52.3Low92 Ų9287.8 Ų87.849%0.49243%0.43SS..Hα-helixtrans-59.6-44-179.8-61.7-32.7000111.8T739 K745 Y746 L747T739-D743 PolarHBondContact O-N 3Å; D743-K745 VanDerWaalsContact C-N 3.3Å; D743-K745 PolarHBondContact O-N 3.42Å; D743-Y746 PolarHBondContact O-N 2.93Å; D743-L747 WeakPolarHBondContact O-CB 3.27Å; D743-L747 PolarHBondContact O-N 2.93Å
744K48.2Very low51.4Low109 Ų10992.3 Ų92.347%0.47445%0.454SS..Hα-helixtrans-59.6-38.6172-73.2176.2-178.9175.90112.2I740 Q742 L747 I748I740-K744 HydrophobicContact CG2-CD 4.35Å; I740-K744 WeakPolarHBondContact O-CG 3.47Å; I740-K744 PolarHBondContact O-N 3.33Å; I740-K744 VanDerWaalsContact O-N 3.11Å; Q742-K744 VanDerWaalsContact C-N 3.35Å; Q742-K744 PolarHBondContact O-N 3.05Å; K744-L747 PolarHBondContact O-N 2.71Å; K744-I748 WeakPolarHBondContact O-CD1 3.32Å; K744-I748 VanDerWaalsContact O-CG1 3.26Å; K744-I748 WeakPolarHBondContact O-CG1 3.29Å; K744-I748 PolarHBondContact O-N 3.34Å
745K49.1Very low50.5Low140 Ų14095 Ų9561%0.60947%0.466SS*.Hα-helixtrans-71.4-32177.7-169.3163.7-173.4160.10113.1K741 Q742 D743 K749K741-K745 WeakPolarHBondContact O-CB 3.5Å; K741-K745 PolarHBondContact O-N 3.38Å; Q742-K745 CarbonylContact O-C 3.56Å; Q742-K745 WeakPolarHBondContact O-CA 3.42Å; Q742-K745 WeakPolarHBondContact O-CB 3.34Å; Q742-K745 PolarHBondContact O-N 2.91Å; D743-K745 VanDerWaalsContact C-N 3.3Å; D743-K745 PolarHBondContact O-N 3.42Å; K745-K749 WeakPolarHBondContact O-CG 3.2Å; K745-K749 PolarHBondContact O-N 2.98Å
746Y39.7Very low49.2Very low150 Ų15098 Ų9859%0.58847%0.474SS*.Hα-helixtrans-72.4-41.5170.9-76.3-71.5000111.9Q742 D743 K749 N750Q742-Y746 HydrophobicContact CB-CD2 4.49Å; Q742-Y746 HydrophobicContact CB-CE2 4.36Å; Q742-Y746 WeakPolarHBondContact O-CD2 3.39Å; Q742-Y746 PolarHBondContact O-N 3.07Å; D743-Y746 PolarHBondContact O-N 2.93Å; Y746-K749 PolarHBondContact O-N 3.14Å; Y746-N750 PolarHBondContact O-N 2.98Å
747L41.2Very low48.2Very low119 Ų119102.4 Ų102.462%0.62350%0.495SS*.Hα-helixtrans-62.2-46.5178.2-171.366.6000111.9D743 K744 K749 N750 T751D743-L747 WeakPolarHBondContact O-CB 3.27Å; D743-L747 PolarHBondContact O-N 2.93Å; K744-L747 PolarHBondContact O-N 2.71Å; L747-K749 PolarHBondContact O-N 2.95Å; L747-N750 PolarHBondContact O-N 2.66Å; L747-T751 PolarHBondContact O-N 2.79Å; L747-T751 PolarHBondContact O-OG1 2.98Å
748I47.6Very low47Very low94 Ų94106.6 Ų106.648%0.48252%0.522SS..Hα-helixtrans-57.2-51.1177-71.8164000110.7K744 N750 T751 E752K744-I748 WeakPolarHBondContact O-CD1 3.32Å; K744-I748 VanDerWaalsContact O-CG1 3.26Å; K744-I748 WeakPolarHBondContact O-CG1 3.29Å; K744-I748 PolarHBondContact O-N 3.34Å; I748-N750 VanDerWaalsContact C-N 3.29Å; I748-N750 PolarHBondContact O-N 3.17Å; I748-T751 WeakPolarHBondContact CA-OG1 3.36Å; I748-T751 PolarHBondContact O-N 3.21Å; I748-T751 VanDerWaalsContact O-N 3.09Å; I748-T751 PolarHBondContact O-OG1 3.3Å; I748-E752 HydrophobicContact CG2-CG 4.35Å; I748-E752 WeakPolarHBondContact O-CG 3.48Å; I748-E752 PolarHBondContact O-N 3.44Å
749K43.8Very low45.7Very low114 Ų114105.1 Ų105.150%0.49652%0.524SS..Hα-helixtrans-56.7-40.9176.9-77.3-176.3170.7-163.40112.9K745 Y746 L747 E752 V753K745-K749 WeakPolarHBondContact O-CG 3.2Å; K745-K749 PolarHBondContact O-N 2.98Å; Y746-K749 PolarHBondContact O-N 3.14Å; L747-K749 PolarHBondContact O-N 2.95Å; K749-E752 PolarHBondContact O-N 3.49Å; K749-V753 WeakPolarHBondContact O-CB 3.45Å; K749-V753 VanDerWaalsContact O-CG2 3.29Å; K749-V753 WeakPolarHBondContact O-CG2 3.38Å; K749-V753 PolarHBondContact O-N 2.61Å
750N41Very low44.2Very low100 Ų100106.2 Ų106.254%0.53554%0.535SS..Hα-helixtrans-69.1-35.6178.3-72-11.4000112.1Y746 L747 I748 N754Y746-N750 PolarHBondContact O-N 2.98Å; L747-N750 PolarHBondContact O-N 2.66Å; I748-N750 VanDerWaalsContact C-N 3.29Å; I748-N750 PolarHBondContact O-N 3.17Å; N750-N754 WeakPolarHBondContact O-CB 3.43Å; N750-N754 PolarHBondContact O-N 3.38Å; N750-N754 VanDerWaalsContact O-N 3.07Å
751T43.2Very low43.1Very low72 Ų72110 Ų11044%0.44256%0.563SS.*Hα-helixtrans-67.3-41.2170.540.40000112.9L747 I748 N754 I755L747-T751 PolarHBondContact O-N 2.79Å; L747-T751 PolarHBondContact O-OG1 2.98Å; I748-T751 WeakPolarHBondContact CA-OG1 3.36Å; I748-T751 PolarHBondContact O-N 3.21Å; I748-T751 VanDerWaalsContact O-N 3.09Å; I748-T751 PolarHBondContact O-OG1 3.3Å; T751-N754 PolarHBondContact O-N 3.43Å; T751-I755 WeakPolarHBondContact O-CB 3.45Å; T751-I755 WeakPolarHBondContact O-CD1 3.36Å; T751-I755 VanDerWaalsContact O-CG1 3.25Å; T751-I755 WeakPolarHBondContact O-CG1 3.48Å; T751-I755 PolarHBondContact O-N 3.11Å
752E41.9Very low41.8Very low97 Ų97109.9 Ų109.945%0.45357%0.569SS.*Hα-helixtrans-62-47.1176.7-71168.716100111.5I748 K749 N754 I755 M756I748-E752 HydrophobicContact CG2-CG 4.35Å; I748-E752 WeakPolarHBondContact O-CG 3.48Å; I748-E752 PolarHBondContact O-N 3.44Å; K749-E752 PolarHBondContact O-N 3.49Å; E752-N754 VanDerWaalsContact C-N 3.33Å; E752-N754 PolarHBondContact O-N 2.8Å; E752-I755 PolarHBondContact O-N 2.75Å; E752-M756 WeakPolarHBondContact O-CG 3.47Å; E752-M756 PolarHBondContact O-N 2.93Å
753V47.3Very low40.8Very low64 Ų64115.6 Ų115.639%0.38859%0.586SS.*Hα-helixtrans-62.2-38.1176.71690000111.8K749 K757K749-V753 WeakPolarHBondContact O-CB 3.45Å; K749-V753 VanDerWaalsContact O-CG2 3.29Å; K749-V753 WeakPolarHBondContact O-CG2 3.38Å; K749-V753 PolarHBondContact O-N 2.61Å; V753-K757 HydrophobicContact CG1-CD 4Å; V753-K757 WeakPolarHBondContact O-CB 3.34Å; V753-K757 VanDerWaalsContact O-CG 3.25Å; V753-K757 WeakPolarHBondContact O-CG 3.35Å; V753-K757 PolarHBondContact O-N 3.28Å
754N41Very low40Very low101 Ų101121 Ų12154%0.5461%0.605SS.*Hα-helixtrans-72.3-34.8176.4-77.4-12.6000113N750 T751 E752 T758N750-N754 WeakPolarHBondContact O-CB 3.43Å; N750-N754 PolarHBondContact O-N 3.38Å; N750-N754 VanDerWaalsContact O-N 3.07Å; T751-N754 PolarHBondContact O-N 3.43Å; E752-N754 VanDerWaalsContact C-N 3.33Å; E752-N754 PolarHBondContact O-N 2.8Å; N754-T758 WeakPolarHBondContact O-CB 3.49Å; N754-T758 WeakPolarHBondContact O-CG2 3.25Å; N754-T758 PolarHBondContact O-N 3.38Å; N754-T758 VanDerWaalsContact O-N 3.15Å; N754-T758 PolarHBondContact O-OG1 3.31Å
755I46.1Very low39.2Very low105 Ų105123.7 Ų123.754%0.53862%0.624SS.*Hα-helixtrans-64.8-50173.1-69.8163.5000109.9T751 E752 K757 T758 T759T751-I755 WeakPolarHBondContact O-CB 3.45Å; T751-I755 WeakPolarHBondContact O-CD1 3.36Å; T751-I755 VanDerWaalsContact O-CG1 3.25Å; T751-I755 WeakPolarHBondContact O-CG1 3.48Å; T751-I755 PolarHBondContact O-N 3.11Å; E752-I755 PolarHBondContact O-N 2.75Å; I755-K757 VanDerWaalsContact C-N 3.3Å; I755-K757 PolarHBondContact O-N 3.31Å; I755-T758 PolarHBondContact O-N 3.25Å; I755-T758 VanDerWaalsContact O-N 3.11Å; I755-T758 PolarHBondContact O-OG1 3.11Å; I755-T758 VanDerWaalsContact O-OG1 3.07Å; I755-T759 PolarHBondContact O-N 2.79Å; I755-T759 PolarHBondContact O-OG1 3.15Å
756M39.3Very low38.3Very low127 Ų127121.2 Ų121.263%0.62662%0.624SS**Hα-helixtrans-61.7-35.4179.2-66.6175.7-168.300113.2E752 T759 S760E752-M756 WeakPolarHBondContact O-CG 3.47Å; E752-M756 PolarHBondContact O-N 2.93Å; M756-T759 PolarHBondContact O-OG1 3.41Å; M756-S760 PolarHBondContact O-OG 3.21Å; M756-S760 VanDerWaalsContact O-OG 3.1Å
757K42.9Very low37.9Very low155 Ų155120.7 Ų120.767%0.67463%0.632SS**Hα-helixtrans-71.5-27.4175.7-76.9175.7178.2179.10113.8V753 I755V753-K757 HydrophobicContact CG1-CD 4Å; V753-K757 WeakPolarHBondContact O-CB 3.34Å; V753-K757 VanDerWaalsContact O-CG 3.25Å; V753-K757 WeakPolarHBondContact O-CG 3.35Å; V753-K757 PolarHBondContact O-N 3.28Å; I755-K757 VanDerWaalsContact C-N 3.3Å; I755-K757 PolarHBondContact O-N 3.31Å
758T37.8Very low37.5Very low118 Ų118119.9 Ų119.972%0.72464%0.636SS**Hα-helixtrans-91.2-16.3-177.348.40000113.9N754 I755N754-T758 WeakPolarHBondContact O-CB 3.49Å; N754-T758 WeakPolarHBondContact O-CG2 3.25Å; N754-T758 PolarHBondContact O-N 3.38Å; N754-T758 VanDerWaalsContact O-N 3.15Å; N754-T758 PolarHBondContact O-OG1 3.31Å; I755-T758 PolarHBondContact O-N 3.25Å; I755-T758 VanDerWaalsContact O-N 3.11Å; I755-T758 PolarHBondContact O-OG1 3.11Å; I755-T758 VanDerWaalsContact O-OG1 3.07Å
759T36.6Very low36.6Very low101 Ų101122.7 Ų122.762%0.6265%0.652SS**SBendtrans-92.6-0.4178.155.60000115I755 M756 S761I755-T759 PolarHBondContact O-N 2.79Å; I755-T759 PolarHBondContact O-OG1 3.15Å; M756-T759 PolarHBondContact O-OG1 3.41Å; T759-S761 PolarHBondContact O-N 3.3Å
760S30.6Very low36.1Very low94 Ų94125.4 Ų125.466%0.65767%0.671SS**  trans-85.268.8-172.9-67.70000113.2M756M756-S760 PolarHBondContact O-OG 3.21Å; M756-S760 VanDerWaalsContact O-OG 3.1Å
761S32.3Very low35.9Very low104 Ų104130.1 Ų130.173%0.72769%0.687SS**  trans-158.2121.2166.8-84.90000114.8T759T759-S761 PolarHBondContact O-N 3.3Å
762N28.5Very low35.3Very low139 Ų139132.4 Ų132.474%0.74370%0.703SS**  trans51.591.8153-62.8-31.9000119.7
763R32.7Very low35Very low233 Ų233135.9 Ų135.988%0.87972%0.723SS**  -168.6141.5102.2-104.8156.3-75.5-161.6-1.1113.4
764K28.5Very low34.2Very low205 Ų205135.7 Ų135.789%0.89173%0.734SS**  trans-81.4131.1156.3-68.9-179.8178.8179.60107.8
765L32.7Very low33.8Very low165 Ų165138.9 Ų138.986%0.86475%0.75SS**  trans-160.7145.5156.5-108.1148.9000107.7
766S28.9Very low33.1Very low89 Ų89139.7 Ų139.762%0.62276%0.759SS**  trans-97.1-178.2-170.846.60000112.4
767D32.1Very low32.9Very low138 Ų138138.9 Ų138.974%0.73876%0.762SS**  trans79.688.5155.2-49.3-48.1000119.3
768S31.9Very low32.4Very low102 Ų102137.6 Ų137.671%0.71376%0.763SS**  trans91.2131.5132.880.30000121.2
769N29.2Very low32.1Very low153 Ų153140.5 Ų140.582%0.81877%0.768SS**  trans66.541.9138.5-60.6-15.1000121.4
770L34.5Very low32.1Very low172 Ų172142.1 Ų142.190%0.90177%0.771SS**  trans-132.6122.3151.7-74.7177.3000112.1
771K35.5Very low32.1Very low198 Ų198145.2 Ų145.286%0.86178%0.775SS**PPolyproline II helixtrans-76.2133.4169.7-77.1-176.9176.1179.10109.8
772P31.9Very low32.3Very low121 Ų121150.2 Ų150.279%0.78678%0.778SS**PPolyproline II helixtrans-68.1134.4165.729.4-32.7000109.9G774P772-G774 PolarHBondContact O-N 3.06Å
773I34.3Very low32.5Very low169 Ų169148.5 Ų148.587%0.86778%0.775SS**PPolyproline II helixtrans-73118174.5-64170.8000108
774G30.7Very low32.4Very low60 Ų60148.3 Ų148.362%0.61977%0.774SS**PPolyproline II helixtrans-68.7130.9176.800000111.5P772 V776P772-G774 PolarHBondContact O-N 3.06Å; G774-V776 PolarHBondContact O-N 3.1Å; G774-V776 VanDerWaalsContact O-N 3.14Å
775L32.8Very low32.6Very low168 Ų168146.8 Ų146.888%0.8878%0.775SS**  trans-71.1102.1164.6-79166000108.3T777L775-T777 PolarHBondContact O-N 3.5Å
776V31.9Very low32.5Very low122 Ų122141.4 Ų141.474%0.73976%0.759SS**  trans-70.9101.1170.8-1790000108.1G774G774-V776 PolarHBondContact O-N 3.1Å; G774-V776 VanDerWaalsContact O-N 3.14Å
777T34.3Very low32.6Very low110 Ų110144.1 Ų144.168%0.67577%0.772SS**  trans-85.4111.4159.549.80000107.8L775 E779L775-T777 PolarHBondContact O-N 3.5Å; T777-E779 VanDerWaalsContact C-N 3.27Å; T777-E779 PolarHBondContact O-N 3.32Å
778D32.1Very low32.6Very low129 Ų129142.5 Ų142.569%0.6977%0.772SS**  trans-67.685.8172.8-68.7-38.7000109.9I780D778-I780 PolarHBondContact O-N 3.45Å
779E32.7Very low32.6Very low178 Ų178144.4 Ų144.483%0.83278%0.779SS**  trans-70.582.5167.9-69.7-152.7130.500109.2T777 E781T777-E779 VanDerWaalsContact C-N 3.27Å; T777-E779 PolarHBondContact O-N 3.32Å; E779-E781 VanDerWaalsContact C-N 3.28Å; E779-E781 PolarHBondContact O-N 2.59Å
780I36.9Very low32.6Very low135 Ų135144.7 Ų144.769%0.69278%0.78SS**  trans-65.493167.7-60.3178.2000107.6D778 W782D778-I780 PolarHBondContact O-N 3.45Å; I780-W782 VanDerWaalsContact O-CD1 3.26Å; I780-W782 PolarHBondContact O-N 3.07Å; I780-W782 VanDerWaalsContact O-N 3.14Å
781E30.9Very low32.4Very low159 Ų159141.8 Ų141.874%0.74377%0.774SS**  trans-64.7109.9175-173.8172.2-157.800109.3E779E779-E781 VanDerWaalsContact C-N 3.28Å; E779-E781 PolarHBondContact O-N 2.59Å
782W35.1Very low32.1Very low209 Ų209141.1 Ų141.179%0.79278%0.779SS**  trans-72.7134175.8-77.574.9000109.9I780 R784I780-W782 VanDerWaalsContact O-CD1 3.26Å; I780-W782 PolarHBondContact O-N 3.07Å; I780-W782 VanDerWaalsContact O-N 3.14Å; W782-R784 PolarHBondContact O-N 3.04Å
783P34Very low32Very low104 Ų104144 Ų14468%0.67578%0.782SS**  trans-59.2133.4-179.324.4-34000110.6L785P783-L785 VanDerWaalsContact C-N 3.31Å; P783-L785 PolarHBondContact O-N 3.38Å
784R30.1Very low31.8Very low229 Ų229145.5 Ų145.586%0.86478%0.783SS**  trans-69.284.3178.7-65.5-175.7-175.8-172.72.8110.7W782 G786W782-R784 PolarHBondContact O-N 3.04Å; R784-G786 PolarHBondContact O-N 3.33Å
785L32.1Very low31.7Very low173 Ų173147.7 Ų147.791%0.90679%0.788SS**  trans-69.179.2167-82.3170.1000110.3P783P783-L785 VanDerWaalsContact C-N 3.31Å; P783-L785 PolarHBondContact O-N 3.38Å
786G31.4Very low31.6Very low52 Ų52146.3 Ų146.354%0.53679%0.787SS.*  trans-77.2147.8168.400000112R784R784-G786 PolarHBondContact O-N 3.33Å
787T31Very low31.7Very low146 Ų146146.6 Ų146.690%0.89679%0.788SS**  trans48.484.2145.657.60000118.6
788S30.7Very low31.5Very low104 Ų104148.2 Ų148.273%0.72779%0.793SS**  -15899.5126.4-168.30000111.6
789V32.6Very low31.4Very low142 Ų142149.5 Ų149.586%0.86180%0.8SS**  trans-134.450.9170.3-162.80000109
790N29Very low31.4Very low158 Ų158146.4 Ų146.485%0.84580%0.798SS**  trans-166.466.1176.7-98.3-30.1000112
791S29.6Very low31.3Very low111 Ų111148.5 Ų148.578%0.77681%0.805SS**  trans-166.858.8168.4-90.50000114.1
792L30.5Very low31.3Very low184 Ų184146.2 Ų146.296%0.96381%0.806SS**  trans-13849.7165.1-94177.3000111.3
793Q28.9Very low31.3Very low183 Ų183141.5 Ų141.586%0.85581%0.805SS**  trans-15265.9177-158.7-179.621.800113.1
794K31.3Very low31.2Very low200 Ų200141.5 Ų141.587%0.8781%0.807SS**SBendtrans-168.5146.7157.1-109.1154.4-173.2179.90113.3
795S28Very low31.4Very low106 Ų106135.3 Ų135.374%0.74180%0.799SS**  trans4486.3153.659.80000120
796V31.2Very low31.6Very low139 Ų139136.2 Ų136.284%0.84280%0.796SS**  -135.889.6123.3-175.30000108.2
797V34Very low31.8Very low127 Ų127138.6 Ų138.677%0.7780%0.804SS**  trans-139.978.1169.1-176.90000107.5N799V797-N799 PolarHBondContact O-N 3.19Å
798N30.4Very low32Very low145 Ų145138 Ų13878%0.77580%0.796SS**  trans-96.974.2176-73.79000109.4
799N29.9Very low32.1Very low155 Ų155140.1 Ų140.183%0.82980%0.797SS**  trans-110.971.1168.3-112.26.6000108.9V797 Q801V797-N799 PolarHBondContact O-N 3.19Å; N799-Q801 PolarHBondContact O-N 3.09Å
800S32.3Very low32.3Very low113 Ų113138.7 Ų138.779%0.7979%0.788SS**  trans-85.2104.6178.7-520000110
801Q35.1Very low32.6Very low180 Ų180136.5 Ų136.584%0.84178%0.781SS**  trans-74.8146.4168.5-63.4178.9-66.500110.3N799N799-Q801 PolarHBondContact O-N 3.09Å
802S30.8Very low33Very low111 Ų111136.6 Ų136.678%0.77677%0.773SS**  trans38.2123.2154.857.70000118.7
803S34.1Very low33.4Very low110 Ų110133.8 Ų133.877%0.76976%0.758SS**  -164.5155.657.951.20000115.4
804S32Very low33.9Very low103 Ų103131.6 Ų131.672%0.7275%0.753SS**  trans-19.9134.4163.553.10000118
805S34.9Very low34.3Very low99 Ų99127.1 Ų127.169%0.69274%0.738SS**  -176.515473.8-68.60000113.5
806K36.7Very low34.9Very low192 Ų192131.8 Ų131.884%0.83574%0.74SS**  trans29.7134.5140.8-57.6176.1-177.6179.10118
807S35.8Very low35.2Very low102 Ų102130.6 Ų130.671%0.71373%0.728SS**  cis163.7167.219.545.80000105.6
808N33.8Very low35.6Very low134 Ų134132 Ų13272%0.71773%0.726SS**  cis-171.8165.15.4-120.211000107.8
809I34.2Very low36.2Very low149 Ų149131.8 Ų131.876%0.76472%0.72SS**  trans68.6139.8146.9-72.9167.1000116.2
810V35.4Very low36.6Very low111 Ų111131.2 Ų131.267%0.67371%0.712SS**  cis-161.5140.6-0.1116.40000106.1
811V36.6Very low36.6Very low113 Ų113132.1 Ų132.169%0.68571%0.708SS**  62.9130.881.4154.70000111.6
812N37.1Very low36.8Very low113 Ų113131.2 Ų131.260%0.60470%0.704SS**  cis-165.4169.89.2-114.727.7000112.7
813D38.7Very low36.9Very low124 Ų124132.2 Ų132.266%0.66370%0.7SS**  trans49.3158.3137.8-46-10.9000122
814D39.3Very low36.9Very low137 Ų137132.2 Ų132.273%0.73370%0.696SS**  cis-162.4-168.6-11-128.4-38000112.4
815D40.4Very low36.9Very low107 Ų107135.7 Ų135.757%0.57270%0.701SS**  trans79.5123.4159.7-71.4-31.2000117.9
816R39.6Very low36.9Very low203 Ų203136 Ų13677%0.76670%0.703SS**  82.7144.264.6-85.5-166-76.4-167-4.3113.9
817D39Very low36.9Very low114 Ų114133.4 Ų133.461%0.6170%0.697SS**  cis-163.2167.1-2-133.7-39.6000111.6
818H42.2Very low37Very low156 Ų156134.4 Ų134.472%0.72269%0.694SS**  trans62.3169153.3-75.438.3000119.7
819H41.2Very low37.1Very low141 Ų141133.8 Ų133.865%0.65369%0.691SS**  cis-159.6157.9-44.8-135.2-82.2000110.2
820H38.9Very low37.1Very low143 Ų143132.7 Ų132.766%0.66269%0.685SS**  trans55.8110.4160.8-73.7-49.3000123.4
821D33.8Very low37.4Very low132 Ų132134.3 Ų134.371%0.70669%0.689SS**  54.1154.3110-59.6-49.9000125.5
822H39.2Very low37.6Very low161 Ų161138.7 Ų138.775%0.74572%0.716SS**  trans80.490.7163-74.3-69.9000121.2
823D31.9Very low37.6Very low132 Ų132140 Ų14071%0.70672%0.721SS**  87.8149.4114.4-85.3-34.9000124.2
824T34Very low37.5Very low110 Ų110140.8 Ų140.868%0.67572%0.724SS**  trans6999.2157.444.50000121.5
825Q32.6Very low37.4Very low177 Ų177141 Ų14183%0.82772%0.724SS**  71.8157.7126.2-64.6177.73.900120
826S34.3Very low37.3Very low104 Ų104143 Ų14373%0.72773%0.733SS**  trans67.3148.6169.7-73.80000116.7
827I36Very low37.1Very low138 Ų138139.3 Ų139.371%0.70873%0.731SS**  cis-164162.3-27.6-135.1165.4000106.1
828D38Very low37Very low124 Ų124140.9 Ų140.966%0.66374%0.739SS**  trans62.6171.1166.4-78.117.7000116
829N36.8Very low36.6Very low120 Ų120139.9 Ų139.964%0.64274%0.74SS**  cis-160.6162.5-14.9-107.3-21000107.1
830I35Very low36.3Very low127 Ų127139.8 Ų139.865%0.65175%0.747SS**  cis-172170-14-160.6176.7000107.9
831I40.2Very low36Very low145 Ų145139.5 Ų139.574%0.74475%0.754SS**  trans72.4132.2166-66.3165.1000114.9
832T40.9Very low36.2Very low204 Ų204140.2 Ų140.2100%1.25276%0.758SS**  cis-127.209.4-31.80000111.5

Retrieved 832 of 832 residues in 230.8 ms (Link to these results)

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