A0A3Q0KI77_SCHMA Loading...

BTB/POZ domain-containing protein KCTD3

AlphaFold DB , UniProt , Accession A0A3Q0KI77, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,170 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
1M39.6Very low79.2Confident246 Ų24691.5 Ų91.5100%1.21247%0.471SS*.  0148.70-71.3169.2167.800108.5
2N54.9Low80.3Confident112 Ų11284.2 Ų84.260%0.59943%0.434SS*.  trans-83.8130.2173.1-73.1-38.2000109.6I4 R29N2-I4 PolarHBondContact O-N 2.97Å; N2-R29 PolarHBondContact ND2-NH2 2.85Å
3S61.3Low81.1Confident77 Ų7779.8 Ų79.854%0.53841%0.414SS..  trans-68.2113.5177.636.70000111.3R29S3-R29 WeakPolarHBondContact O-CB 3.38Å; S3-R29 VanDerWaalsContact O-CD 3.23Å; S3-R29 WeakPolarHBondContact O-CD 3.38Å
4I78.2Confident81.8Confident115 Ų11574.2 Ų74.259%0.5939%0.385SS*.  trans-83.9140.1168-67.1167.3000107.8N2 A31N2-I4 PolarHBondContact O-N 2.97Å; I4-A31 HydrophobicContact CD1-CB 4.27Å; I4-A31 HydrophobicContact CG2-CB 3.67Å
5G84.3Confident82.1Confident23 Ų2371.5 Ų71.524%0.23737%0.369CS..EExtended strand (participates in β ladder)trans110.2-160.2-177.900000113.6L7 E28 R29G5-L7 PolarHBondContact O-N 2.97Å; G5-E28 CarbonylContact O-C 3.57Å; G5-E28 WeakPolarHBondContact O-CA 3.49Å; G5-E28 WeakPolarHBondContact O-CG 3.3Å; G5-R29 PolarHBondContact N-O 2.99Å; G5-R29 PolarHBondContact O-N 2.92Å
6R88.8Confident82.1Confident145 Ų14568.6 Ų68.655%0.54736%0.356SS..EExtended strand (participates in β ladder)trans-66128.2-177.4-66.6-175.3-179-166.7-5.6110.5E9R6-E9 WeakPolarHBondContact CD-OE2 3.36Å; R6-E9 IonicContact CZ-OE1 2.78Å; R6-E9 IonicContact CZ-OE2 3.98Å; R6-E9 IonicContact NE-OE2 3.83Å; R6-E9 IonicContact NH1-OE1 2.78Å; R6-E9 PolarHBondContact NH1-OE1 3.44Å; R6-E9 IonicContact NH1-OE2 2.67Å; R6-E9 PolarHBondContact NH1-OE2 2.83Å
7L92Very high81.8Confident31 Ų3171.3 Ų71.316%0.16238%0.382CS..EExtended strand (participates in β ladder)trans-96.9-43178.2-60.8175.9000111.7G5 L27 R29 L37 I94 N98G5-L7 PolarHBondContact O-N 2.97Å; L7-L27 WeakPolarHBondContact CB-O 3.25Å; L7-L27 HydrophobicContact CD1-CD2 4.44Å; L7-L27 PolarHBondContact N-O 3.4Å; L7-R29 HydrophobicContact CD1-CB 4.1Å; L7-R29 HydrophobicContact CD2-CB 4.07Å; L7-R29 HydrophobicContact CG-CB 4.14Å; L7-L37 HydrophobicContact CD1-CD1 3.98Å; L7-L37 HydrophobicContact CD1-CD2 3.99Å; L7-I94 HydrophobicContact CB-CG2 3.73Å; L7-I94 HydrophobicContact CD1-CG2 4.29Å; L7-N98 HydrophobicContact CD1-CB 3.83Å
8I93.9Very high81.6Confident29 Ų2970.6 Ų70.615%0.14939%0.394CS..EExtended strand (participates in β ladder)trans-153.7149.8175.8-175.7156.4000109.7A26 L27 K90 W91 I94I8-A26 CarbonylContact O-C 3.52Å; I8-A26 WeakPolarHBondContact O-CA 3.49Å; I8-L27 HydrophobicContact CG2-CB 3.83Å; I8-L27 HydrophobicContact CG2-CD2 4.32Å; I8-L27 PolarHBondContact O-N 3.31Å; I8-K90 HydrophobicContact CD1-CB 4.45Å; I8-W91 VanDerWaalsContact CD1-CD1 3.43Å; I8-W91 HydrophobicContact CD1-CD2 4.06Å; I8-W91 HydrophobicContact CD1-CG 3.82Å; I8-W91 HydrophobicContact CG1-CD2 4.37Å; I8-W91 HydrophobicContact CG1-CZ2 4.23Å; I8-W91 HydrophobicContact CG2-CD2 3.95Å; I8-W91 HydrophobicContact CG2-CE3 3.87Å; I8-W91 HydrophobicContact CG2-CH2 4.16Å; I8-W91 HydrophobicContact CG2-CZ2 4.23Å; I8-W91 HydrophobicContact CG2-CZ3 3.98Å; I8-I94 HydrophobicContact CB-CD1 3.84Å; I8-I94 HydrophobicContact CD1-CD1 3.89Å; I8-I94 HydrophobicContact CG1-CD1 4.39Å; I8-I94 HydrophobicContact CG2-CD1 4.39Å; I8-I94 HydrophobicContact CG2-CG2 4.17Å
9E93.6Very high81.7Confident72 Ų7275 Ų7534%0.33641%0.409SS..EExtended strand (participates in β ladder)trans-149130.4178.2177.9165.7-14700110.4R6 L24 C25 A26R6-E9 WeakPolarHBondContact CD-OE2 3.36Å; R6-E9 IonicContact CZ-OE1 2.78Å; R6-E9 IonicContact CZ-OE2 3.98Å; R6-E9 IonicContact NE-OE2 3.83Å; R6-E9 IonicContact NH1-OE1 2.78Å; R6-E9 PolarHBondContact NH1-OE1 3.44Å; R6-E9 IonicContact NH1-OE2 2.67Å; R6-E9 PolarHBondContact NH1-OE2 2.83Å; E9-L24 HydrophobicContact CG-CD1 3.67Å; E9-L24 HydrophobicContact CG-CG 4.24Å; E9-C25 CarbonylContact C-O 3.56Å; E9-C25 VanDerWaalsContact CA-O 3.28Å; E9-C25 WeakPolarHBondContact CA-O 3.23Å; E9-A26 HydrophobicContact CB-CB 3.95Å; E9-A26 HydrophobicContact CG-CB 3.91Å
10D92.6Very high81.9Confident54 Ų5474.2 Ų74.229%0.28940%0.399SS..EExtended strand (participates in β ladder)trans-160.3158.8-172-165.64.3000112.9V12 L24 C25 W91D10-V12 HydrophobicContact CB-CG1 4.17Å; D10-V12 PolarHBondContact O-N 2.89Å; D10-L24 WeakPolarHBondContact O-CA 3.35Å; D10-C25 PolarHBondContact N-O 2.99Å; D10-C25 PolarHBondContact O-N 2.86Å; D10-W91 HydrophobicContact CB-CZ2 3.92Å
11I92.4Very high82.3Confident102 Ų10276.1 Ų76.152%0.52340%0.404SS..EExtended strand (participates in β ladder)trans-9565.2-177.3-50-179.5000111.1K22 L24I11-K22 HydrophobicContact CG2-CB 4.37Å; I11-L24 HydrophobicContact CG1-CB 4.49Å; I11-L24 HydrophobicContact CG1-CD1 3.87Å
12V92Very high84.8Confident4 Ų470.5 Ų70.52%0.02437%0.373CS..EExtended strand (participates in β ladder)trans-81.6148.5-177.2-63.90000113.4D10 V14 K23 C25 I80 F82 W91D10-V12 HydrophobicContact CB-CG1 4.17Å; D10-V12 PolarHBondContact O-N 2.89Å; V12-V14 HydrophobicContact CG2-CG2 4.27Å; V12-V14 PolarHBondContact O-N 3.32Å; V12-K23 PolarHBondContact N-O 2.89Å; V12-K23 PolarHBondContact O-N 3.47Å; V12-K23 VanDerWaalsContact O-O 3.09Å; V12-C25 HydrophobicContact CG2-CB 3.8Å; V12-C25 VanDerWaalsContact CG2-SG 3.59Å; V12-I80 HydrophobicContact CB-CB 4.37Å; V12-I80 HydrophobicContact CG2-CB 3.9Å; V12-I80 HydrophobicContact CG2-CD1 4.19Å; V12-I80 HydrophobicContact CG2-CG2 3.88Å; V12-F82 HydrophobicContact CG1-CD1 4.16Å; V12-F82 HydrophobicContact CG1-CE1 3.51Å; V12-F82 HydrophobicContact CG1-CZ 3.98Å; V12-W91 HydrophobicContact CG1-CZ2 4.45Å
13P91Very high86.6Confident27 Ų2765.9 Ų65.918%0.17535%0.347CS..EExtended strand (participates in β ladder)trans-63.8122.8162.6-20.830.5000112.6W20 K21 K22 I80 S81P13-W20 HydrophobicContact CB-CE3 4.22Å; P13-W20 WeakPolarHBondContact O-CZ3 3.3Å; P13-K21 WeakPolarHBondContact CA-O 3.39Å; P13-K22 HydrophobicContact CG-CG 4.42Å; P13-I80 CarbonylContact O-C 3.5Å; P13-I80 WeakPolarHBondContact O-CA 3.17Å; P13-S81 WeakPolarHBondContact CD-O 3.47Å; P13-S81 PolarHBondContact O-N 3.39Å
14V90.1Very high88.1Confident2 Ų264.8 Ų64.81%0.01234%0.335CS..EExtended strand (participates in β ladder)trans-110.5136.6178.8-170.90000110.9V12 V16 W20 K21 K23 C25 V41 I80V12-V14 HydrophobicContact CG2-CG2 4.27Å; V12-V14 PolarHBondContact O-N 3.32Å; V14-V16 HydrophobicContact CB-CG2 4.2Å; V14-V16 HydrophobicContact CG1-CG2 3.97Å; V14-V16 PolarHBondContact O-N 2.97Å; V14-V16 VanDerWaalsContact O-N 3.13Å; V14-W20 VanDerWaalsContact C-CE3 3.49Å; V14-W20 WeakPolarHBondContact O-CA 3.26Å; V14-K21 PolarHBondContact N-O 2.92Å; V14-K21 PolarHBondContact O-N 3.01Å; V14-K23 HydrophobicContact CG2-CB 3.84Å; V14-K23 HydrophobicContact CG2-CG 4.39Å; V14-C25 WeakPolarHBondContact CG2-SG 3.5Å; V14-V41 HydrophobicContact CG2-CG1 4.41Å; V14-I80 HydrophobicContact CG1-CG2 4.44Å; V14-I80 HydrophobicContact CG2-CG2 4.09Å
15K86.5Confident88.8Confident34 Ų3459.3 Ų59.315%0.14831%0.307CS..EExtended strand (participates in β ladder)trans-76.597.4174.8-156.7164.4-174.81640110.1W20 D62 C79K15-W20 HydrophobicContact CB-CD2 4.15Å; K15-W20 HydrophobicContact CB-CE3 3.89Å; K15-W20 HydrophobicContact CB-CH2 3.97Å; K15-W20 HydrophobicContact CB-CZ2 4.21Å; K15-W20 HydrophobicContact CB-CZ3 3.8Å; K15-W20 HydrophobicContact CD-CH2 4.17Å; K15-W20 HydrophobicContact CD-CZ2 3.72Å; K15-W20 HydrophobicContact CG-CD2 4.34Å; K15-W20 HydrophobicContact CG-CZ2 4.26Å; K15-D62 IonicContact NZ-OD2 2.59Å; K15-D62 PolarHBondContact NZ-OD2 3.08Å; K15-C79 HydrophobicContact CB-CB 3.9Å; K15-C79 HydrophobicContact CD-CB 4.12Å; K15-C79 PolarHBondContact N-O 3.02Å
16V82.7Confident89.3Confident25 Ų2558.2 Ų58.215%0.15230%0.296CS..EExtended strand (participates in β ladder)trans-113115.8-179.2178.60000110.2V14 G18 K19V14-V16 HydrophobicContact CB-CG2 4.2Å; V14-V16 HydrophobicContact CG1-CG2 3.97Å; V14-V16 PolarHBondContact O-N 2.97Å; V14-V16 VanDerWaalsContact O-N 3.13Å; V16-G18 PolarHBondContact O-N 3.31Å; V16-K19 CarbonylContact C-O 3.6Å; V16-K19 PolarHBondContact N-O 2.69Å; V16-K19 PolarHBondContact O-N 2.93Å
17S77.2Confident89.5Confident114 Ų11451.3 Ų51.380%0.79727%0.27SS*.THydrogen-bonded Turntrans52.541.3179.2-53.70000113.2K19S17-K19 VanDerWaalsContact C-N 3.25Å; S17-K19 PolarHBondContact O-N 3.25Å
18G77.4Confident89.5Confident58 Ų5852.1 Ų52.160%0.59827%0.273SS*.THydrogen-bonded Turntrans78.3-4.8-179.200000115.6V16V16-G18 PolarHBondContact O-N 3.31Å
19K83.2Confident89.3Confident155 Ų15553.3 Ų53.367%0.67428%0.276SS*.EExtended strand (participates in β ladder)trans-109140.7174.3-62.2-173.7179.8-175.20110.2V16 S17V16-K19 CarbonylContact C-O 3.6Å; V16-K19 PolarHBondContact N-O 2.69Å; V16-K19 PolarHBondContact O-N 2.93Å; S17-K19 VanDerWaalsContact C-N 3.25Å; S17-K19 PolarHBondContact O-N 3.25Å
20W87.1Confident88.9Confident59 Ų5950.3 Ų50.322%0.22326%0.262CS..EExtended strand (participates in β ladder)trans-77135.3169.5-67.6104.7000109.6P13 V14 K15 D62 H65 V68 C79P13-W20 HydrophobicContact CB-CE3 4.22Å; P13-W20 WeakPolarHBondContact O-CZ3 3.3Å; V14-W20 VanDerWaalsContact C-CE3 3.49Å; V14-W20 WeakPolarHBondContact O-CA 3.26Å; K15-W20 HydrophobicContact CB-CD2 4.15Å; K15-W20 HydrophobicContact CB-CE3 3.89Å; K15-W20 HydrophobicContact CB-CH2 3.97Å; K15-W20 HydrophobicContact CB-CZ2 4.21Å; K15-W20 HydrophobicContact CB-CZ3 3.8Å; K15-W20 HydrophobicContact CD-CH2 4.17Å; K15-W20 HydrophobicContact CD-CZ2 3.72Å; K15-W20 HydrophobicContact CG-CD2 4.34Å; K15-W20 HydrophobicContact CG-CZ2 4.26Å; W20-D62 WeakPolarHBondContact CZ2-OD2 3.31Å; W20-H65 AromaticContact CD1-NE2 3.26Å; W20-H65 VanDerWaalsContact CD1-NE2 3.26Å; W20-H65 AromaticContact CD2-NE2 3.41Å; W20-H65 AromaticContact CE2-CD2 3.57Å; W20-H65 AromaticContact CE2-NE2 3.21Å; W20-H65 AromaticContact CG-NE2 3.45Å; W20-H65 AromaticContact CZ2-CD2 3.72Å; W20-H65 AromaticContact CZ2-NE2 3.83Å; W20-H65 AromaticContact NE1-CD2 3.62Å; W20-H65 AromaticContact NE1-NE2 3.11Å; W20-H65 PolarHBondContact NE1-NE2 2.81Å; W20-H65 VanDerWaalsContact NE1-NE2 3.11Å; W20-V68 HydrophobicContact CH2-CG1 4.19Å; W20-V68 HydrophobicContact CH2-CG2 4.35Å; W20-C79 HydrophobicContact CH2-CB 3.66Å; W20-C79 HydrophobicContact CZ2-CB 4.47Å; W20-C79 HydrophobicContact CZ3-CB 4.22Å; W20-C79 WeakPolarHBondContact CZ3-O 3.36Å
21K89.4Confident87.9Confident114 Ų11451.3 Ų51.350%0.49628%0.278SS..EExtended strand (participates in β ladder)trans-140.2132.4174.7-70.3-164.7171.1-1560109.8P13 V14 K23P13-K21 WeakPolarHBondContact CA-O 3.39Å; V14-K21 PolarHBondContact N-O 2.92Å; V14-K21 PolarHBondContact O-N 3.01Å; K21-K23 PolarHBondContact O-N 2.85Å
22K91Very high86.8Confident128 Ų12850.7 Ų50.756%0.55728%0.279SS*.EExtended strand (participates in β ladder)trans-59.3131.2168.4-73.5-167.3173.1-164.30109.7I11 P13I11-K22 HydrophobicContact CG2-CB 4.37Å; P13-K22 HydrophobicContact CG-CG 4.42Å
23K92.7Very high85.3Confident16 Ų1659.1 Ų59.17%0.0732%0.316CS..EExtended strand (participates in β ladder)trans-148.2140.2174.3-70.1-69.8139.6-170.60108.9V12 V14 K21 C25 V41 F42 E44V12-K23 PolarHBondContact N-O 2.89Å; V12-K23 PolarHBondContact O-N 3.47Å; V12-K23 VanDerWaalsContact O-O 3.09Å; V14-K23 HydrophobicContact CG2-CB 3.84Å; V14-K23 HydrophobicContact CG2-CG 4.39Å; K21-K23 PolarHBondContact O-N 2.85Å; K23-C25 PolarHBondContact O-N 3.48Å; K23-C25 PolarHBondContact O-SG 2.59Å; K23-V41 HydrophobicContact CB-CG1 3.74Å; K23-V41 HydrophobicContact CG-CG1 4.05Å; K23-F42 WeakPolarHBondContact CD-O 3.39Å; K23-E44 WeakPolarHBondContact CE-OE1 3.31Å; K23-E44 IonicContact NZ-OE1 3.97Å; K23-E44 PolarHBondContact NZ-OE1 3.46Å
24L93.3Very high84.2Confident53 Ų5361.9 Ų61.928%0.27733%0.328SS..EExtended strand (participates in β ladder)trans-62.4123.4166.5-178.869.8000108.5E9 D10 I11 F42E9-L24 HydrophobicContact CG-CD1 3.67Å; E9-L24 HydrophobicContact CG-CG 4.24Å; D10-L24 WeakPolarHBondContact O-CA 3.35Å; I11-L24 HydrophobicContact CG1-CB 4.49Å; I11-L24 HydrophobicContact CG1-CD1 3.87Å; L24-F42 HydrophobicContact CB-CB 4.25Å; L24-F42 HydrophobicContact CB-CD2 4.43Å; L24-F42 HydrophobicContact CD2-CB 4.4Å; L24-F42 HydrophobicContact CD2-CD2 4.02Å; L24-F42 HydrophobicContact CD2-CG 4.42Å; L24-F42 HydrophobicContact CG-CD2 4.06Å; L24-F42 PolarHBondContact O-N 2.99Å
25C94Very high83.6Confident0 Ų064.7 Ų64.70%034%0.343CS..EExtended strand (participates in β ladder)trans-124.4131.9178.5-62.90000109.3E9 D10 V12 V14 K23 L39 F40 W91E9-C25 CarbonylContact C-O 3.56Å; E9-C25 VanDerWaalsContact CA-O 3.28Å; E9-C25 WeakPolarHBondContact CA-O 3.23Å; D10-C25 PolarHBondContact N-O 2.99Å; D10-C25 PolarHBondContact O-N 2.86Å; V12-C25 HydrophobicContact CG2-CB 3.8Å; V12-C25 VanDerWaalsContact CG2-SG 3.59Å; V14-C25 WeakPolarHBondContact CG2-SG 3.5Å; K23-C25 PolarHBondContact O-N 3.48Å; K23-C25 PolarHBondContact O-SG 2.59Å; C25-L39 HydrophobicContact CB-CD1 4.39Å; C25-F40 CarbonylContact C-O 3.6Å; C25-F40 VanDerWaalsContact CA-O 3.29Å; C25-F40 WeakPolarHBondContact CA-O 3.32Å; C25-W91 HydrophobicContact CB-CH2 4.11Å
26A93.5Very high83.7Confident1 Ų163.3 Ų63.31%0.00834%0.338CS..EExtended strand (participates in β ladder)trans-122.9140.2175.300000110.5I8 E9 F40 F42I8-A26 CarbonylContact O-C 3.52Å; I8-A26 WeakPolarHBondContact O-CA 3.49Å; E9-A26 HydrophobicContact CB-CB 3.95Å; E9-A26 HydrophobicContact CG-CB 3.91Å; A26-F40 HydrophobicContact CB-CB 4.43Å; A26-F40 PolarHBondContact N-O 3.35Å; A26-F40 PolarHBondContact O-N 3.37Å; A26-F42 HydrophobicContact CB-CE2 4.03Å
27L94.3Very high84.2Confident0 Ų062.3 Ų62.30%033%0.331CS..EExtended strand (participates in β ladder)trans-107.4124.4173.4-167.870.2000108.6L7 I8 L37 K38 L39 W91 L95L7-L27 WeakPolarHBondContact CB-O 3.25Å; L7-L27 HydrophobicContact CD1-CD2 4.44Å; L7-L27 PolarHBondContact N-O 3.4Å; I8-L27 HydrophobicContact CG2-CB 3.83Å; I8-L27 HydrophobicContact CG2-CD2 4.32Å; I8-L27 PolarHBondContact O-N 3.31Å; L27-L37 HydrophobicContact CD1-CB 3.83Å; L27-L37 HydrophobicContact CD1-CD1 4.37Å; L27-L37 HydrophobicContact CD2-CD1 3.8Å; L27-L37 HydrophobicContact CG-CB 4.19Å; L27-L37 HydrophobicContact CG-CD1 4.12Å; L27-K38 WeakPolarHBondContact CA-O 3.42Å; L27-L39 HydrophobicContact CD1-CB 4.46Å; L27-W91 HydrophobicContact CB-CZ3 4.2Å; L27-L95 HydrophobicContact CD2-CD2 3.66Å; L27-L95 HydrophobicContact CD2-CG 4.21Å
28E92.2Very high84.9Confident47 Ų4759.8 Ų59.822%0.2231%0.306CS..EExtended strand (participates in β ladder)trans-120.2138.1-176.5-172.5-165.598.200110.8G5 P30 K38 F40G5-E28 CarbonylContact O-C 3.57Å; G5-E28 WeakPolarHBondContact O-CA 3.49Å; G5-E28 WeakPolarHBondContact O-CG 3.3Å; E28-P30 WeakPolarHBondContact O-CD 3.43Å; E28-K38 HydrophobicContact CB-CB 4.29Å; E28-K38 PolarHBondContact N-O 3.32Å; E28-K38 PolarHBondContact O-N 3.23Å; E28-F40 HydrophobicContact CB-CD2 4.14Å; E28-F40 HydrophobicContact CB-CE2 3.68Å; E28-F40 HydrophobicContact CG-CE2 4.3Å; E28-F40 VanDerWaalsContact OE2-CE2 3.31Å; E28-F40 WeakPolarHBondContact OE2-CE2 3.36Å
29R89.8Confident85.7Confident55 Ų5557.1 Ų57.121%0.20828%0.278CS..EExtended strand (participates in β ladder)trans-86.8113.6165.7-168.1171-167.5151.4-1.8109.3N2 S3 G5 L7 L37 N98N2-R29 PolarHBondContact ND2-NH2 2.85Å; S3-R29 WeakPolarHBondContact O-CB 3.38Å; S3-R29 VanDerWaalsContact O-CD 3.23Å; S3-R29 WeakPolarHBondContact O-CD 3.38Å; G5-R29 PolarHBondContact N-O 2.99Å; G5-R29 PolarHBondContact O-N 2.92Å; L7-R29 HydrophobicContact CD1-CB 4.1Å; L7-R29 HydrophobicContact CD2-CB 4.07Å; L7-R29 HydrophobicContact CG-CB 4.14Å; R29-L37 HydrophobicContact CB-CD2 4.12Å; R29-L37 HydrophobicContact CG-CD2 4.1Å; R29-N98 PolarHBondContact NH1-OD1 2.76Å
30P85.5Confident86.1Confident9 Ų951.3 Ų51.36%0.05825%0.253CS..  trans-63.9150.3177.927.8-34.6000111E28 T32 I34E28-P30 WeakPolarHBondContact O-CD 3.43Å; P30-T32 PolarHBondContact O-N 3.43Å; P30-I34 HydrophobicContact CG-CB 4.35Å; P30-I34 HydrophobicContact CG-CD1 4.35Å
31A71.7Confident86.4Confident74 Ų7448.7 Ų48.761%0.61224%0.243SC*.SBendtrans-66.1-24178.100000113.6I4I4-A31 HydrophobicContact CD1-CB 4.27Å; I4-A31 HydrophobicContact CG2-CB 3.67Å
32T68.7Low86.5Confident89 Ų8944.3 Ų44.355%0.54622%0.224SC..SBendtrans-81.1147.9175.3400000111.5P30 I34P30-T32 PolarHBondContact O-N 3.43Å; T32-I34 PolarHBondContact O-N 2.71Å; T32-I34 VanDerWaalsContact OG1-CD1 3.31Å; T32-I34 WeakPolarHBondContact OG1-CD1 3.38Å; T32-I34 WeakPolarHBondContact OG1-CG1 3.46Å
33F59.7Low86.3Confident182 Ų18240.6 Ų40.680%0.79821%0.21SC*.  trans-7064.4175.8-66.4-86.5000112.6P638F33-P638 HydrophobicContact CD2-CG 3.89Å; F33-P638 HydrophobicContact CE2-CG 4.23Å
34I67.9Low85.8Confident84 Ų8447.7 Ų47.743%0.43124%0.244SC..  trans-96.2141.3174.6-46.5179.2000108.8P30 T32 S36P30-I34 HydrophobicContact CG-CB 4.35Å; P30-I34 HydrophobicContact CG-CD1 4.35Å; T32-I34 PolarHBondContact O-N 2.71Å; T32-I34 VanDerWaalsContact OG1-CD1 3.31Å; T32-I34 WeakPolarHBondContact OG1-CD1 3.38Å; T32-I34 WeakPolarHBondContact OG1-CG1 3.46Å; I34-S36 WeakPolarHBondContact CG2-OG 3.22Å; I34-S36 PolarHBondContact O-N 3.29Å
35N77.9Confident85.4Confident62 Ų6250.9 Ų50.933%0.33226%0.261SS..SBendtrans-7520.6177.9-60.9-43.4000113.9L99 R160N35-L99 WeakPolarHBondContact O-CD1 3.42Å; N35-R160 HydrophobicContact CB-CB 4.17Å; N35-R160 WeakPolarHBondContact OD1-CD 3.05Å
36S88.6Confident84.8Confident5 Ų553.2 Ų53.24%0.03529%0.285CS..SBendtrans-143.7148.4-171.866.60000112I34 V54I34-S36 WeakPolarHBondContact CG2-OG 3.22Å; I34-S36 PolarHBondContact O-N 3.29Å; S36-V54 CarbonylContact C-O 3.5Å; S36-V54 WeakPolarHBondContact CA-O 3.06Å; S36-V54 WeakPolarHBondContact CB-O 3.49Å
37L92.5Very high84.3Confident4 Ų455.4 Ų55.42%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-97.2153.3174.3-59176.2000110.9L7 L27 R29 D53 V54 L95 N98 L99L7-L37 HydrophobicContact CD1-CD1 3.98Å; L7-L37 HydrophobicContact CD1-CD2 3.99Å; L27-L37 HydrophobicContact CD1-CB 3.83Å; L27-L37 HydrophobicContact CD1-CD1 4.37Å; L27-L37 HydrophobicContact CD2-CD1 3.8Å; L27-L37 HydrophobicContact CG-CB 4.19Å; L27-L37 HydrophobicContact CG-CD1 4.12Å; R29-L37 HydrophobicContact CB-CD2 4.12Å; R29-L37 HydrophobicContact CG-CD2 4.1Å; L37-D53 CarbonylContact O-C 3.57Å; L37-D53 WeakPolarHBondContact O-CA 3.44Å; L37-V54 PolarHBondContact N-O 3.39Å; L37-V54 PolarHBondContact O-N 2.92Å; L37-L95 HydrophobicContact CD1-CD2 4.31Å; L37-N98 HydrophobicContact CD1-CB 3.78Å; L37-N98 HydrophobicContact CD2-CB 4.11Å; L37-L99 HydrophobicContact CD1-CB 4.05Å; L37-L99 HydrophobicContact CG-CB 4.47Å; L37-L99 HydrophobicContact CG-CD1 4.48Å
38K92.5Very high83.9Confident61 Ų6159.6 Ų59.627%0.26532%0.323SS..EExtended strand (participates in β ladder)trans-94.7118.4176.3-70.8179.9-178.9172.20110.7L27 E28 F40 Q52L27-K38 WeakPolarHBondContact CA-O 3.42Å; E28-K38 HydrophobicContact CB-CB 4.29Å; E28-K38 PolarHBondContact N-O 3.32Å; E28-K38 PolarHBondContact O-N 3.23Å; K38-F40 HydrophobicContact CB-CD2 4.22Å; K38-F40 HydrophobicContact CB-CE2 3.63Å; K38-F40 HydrophobicContact CB-CZ 4.24Å; K38-F40 HydrophobicContact CD-CE2 4.22Å; K38-F40 HydrophobicContact CD-CZ 4.1Å; K38-Q52 CarbonylContact C-O 3.59Å; K38-Q52 WeakPolarHBondContact CA-O 3.39Å
39L93.9Very high83.4Confident1 Ų159.6 Ų59.61%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-91.2109.9169.1177.465.1000109.6C25 L27 V41 C51 Q52 V54 F71 R78C25-L39 HydrophobicContact CB-CD1 4.39Å; L27-L39 HydrophobicContact CD1-CB 4.46Å; L39-V41 HydrophobicContact CG-CG2 4.27Å; L39-C51 CarbonylContact O-C 3.59Å; L39-C51 WeakPolarHBondContact O-CA 3.37Å; L39-Q52 PolarHBondContact N-O 3.44Å; L39-Q52 PolarHBondContact O-N 2.81Å; L39-V54 HydrophobicContact CB-CG2 3.67Å; L39-V54 HydrophobicContact CD2-CG2 4.49Å; L39-F71 HydrophobicContact CD1-CE2 4.34Å; L39-F71 HydrophobicContact CD2-CD2 3.66Å; L39-F71 HydrophobicContact CD2-CE2 3.96Å; L39-F71 HydrophobicContact CD2-CG 4.34Å; L39-R78 HydrophobicContact CD2-CB 4.23Å; L39-R78 HydrophobicContact CD2-CG 4.23Å
40F92.6Very high83.1Confident33 Ų3360.8 Ų60.815%0.14533%0.331CS..EExtended strand (participates in β ladder)trans-91.5138.4167.5-62.6-93.9000109.7C25 A26 E28 K38 F42 L48 R50 C51C25-F40 CarbonylContact C-O 3.6Å; C25-F40 VanDerWaalsContact CA-O 3.29Å; C25-F40 WeakPolarHBondContact CA-O 3.32Å; A26-F40 HydrophobicContact CB-CB 4.43Å; A26-F40 PolarHBondContact N-O 3.35Å; A26-F40 PolarHBondContact O-N 3.37Å; E28-F40 HydrophobicContact CB-CD2 4.14Å; E28-F40 HydrophobicContact CB-CE2 3.68Å; E28-F40 HydrophobicContact CG-CE2 4.3Å; E28-F40 VanDerWaalsContact OE2-CE2 3.31Å; E28-F40 WeakPolarHBondContact OE2-CE2 3.36Å; K38-F40 HydrophobicContact CB-CD2 4.22Å; K38-F40 HydrophobicContact CB-CE2 3.63Å; K38-F40 HydrophobicContact CB-CZ 4.24Å; K38-F40 HydrophobicContact CD-CE2 4.22Å; K38-F40 HydrophobicContact CD-CZ 4.1Å; F40-F42 HydrophobicContact CB-CE2 3.7Å; F40-F42 HydrophobicContact CB-CZ 3.74Å; F40-F42 HydrophobicContact CD1-CZ 4.46Å; F40-F42 HydrophobicContact CG-CZ 4.3Å; F40-L48 HydrophobicContact CB-CD1 4.18Å; F40-L48 HydrophobicContact CD1-CD1 3.74Å; F40-L48 HydrophobicContact CD1-CD2 4.03Å; F40-L48 HydrophobicContact CE1-CD2 4.28Å; F40-L48 HydrophobicContact CG-CD1 4.46Å; F40-R50 CarbonylContact C-O 3.53Å; F40-R50 WeakPolarHBondContact CA-O 3.48Å; F40-C51 HydrophobicContact CD1-CB 4.21Å; F40-C51 HydrophobicContact CE1-CB 4.23Å
41V92.1Very high83.2Confident4 Ų463 Ų632%0.02435%0.346CS..EExtended strand (participates in β ladder)trans-127.8119.9171.9-176.80000106.8V14 K23 L39 C49 R50V14-V41 HydrophobicContact CG2-CG1 4.41Å; K23-V41 HydrophobicContact CB-CG1 3.74Å; K23-V41 HydrophobicContact CG-CG1 4.05Å; L39-V41 HydrophobicContact CG-CG2 4.27Å; V41-C49 WeakPolarHBondContact O-CA 3.41Å; V41-C49 WeakPolarHBondContact O-CB 3.46Å; V41-C49 PolarHBondContact O-N 3.07Å; V41-R50 PolarHBondContact N-O 3.33Å; V41-R50 PolarHBondContact O-N 2.91Å
42F91.5Very high84Confident22 Ų2260 Ų6010%0.09632%0.32CS..EExtended strand (participates in β ladder)trans-100.4159.6180-54.7-87.4000111.1K23 L24 A26 F40 G46 S47 L48K23-F42 WeakPolarHBondContact CD-O 3.39Å; L24-F42 HydrophobicContact CB-CB 4.25Å; L24-F42 HydrophobicContact CB-CD2 4.43Å; L24-F42 HydrophobicContact CD2-CB 4.4Å; L24-F42 HydrophobicContact CD2-CD2 4.02Å; L24-F42 HydrophobicContact CD2-CG 4.42Å; L24-F42 HydrophobicContact CG-CD2 4.06Å; L24-F42 PolarHBondContact O-N 2.99Å; A26-F42 HydrophobicContact CB-CE2 4.03Å; F40-F42 HydrophobicContact CB-CE2 3.7Å; F40-F42 HydrophobicContact CB-CZ 3.74Å; F40-F42 HydrophobicContact CD1-CZ 4.46Å; F40-F42 HydrophobicContact CG-CZ 4.3Å; F42-G46 WeakPolarHBondContact CD1-O 3.39Å; F42-S47 CarbonylContact C-O 3.59Å; F42-S47 VanDerWaalsContact CA-O 3.29Å; F42-S47 WeakPolarHBondContact CA-O 3.21Å; F42-L48 HydrophobicContact CD1-CB 4.28Å; F42-L48 HydrophobicContact CD1-CD1 4.13Å; F42-L48 HydrophobicContact CE1-CB 4.32Å; F42-L48 HydrophobicContact CE1-CD1 3.96Å; F42-L48 HydrophobicContact CZ-CD1 4.48Å
43N87.2Confident85.1Confident50 Ų5058.4 Ų58.427%0.26731%0.308SS..  trans-85.8-178.5170.8-75.8-43.1000111D45 G46 S47 C49N43-D45 VanDerWaalsContact C-N 3.29Å; N43-D45 WeakPolarHBondContact CB-OD1 3.27Å; N43-G46 PolarHBondContact O-N 2.88Å; N43-S47 WeakPolarHBondContact CB-OG 3.4Å; N43-S47 PolarHBondContact N-O 3.14Å; N43-S47 PolarHBondContact ND2-OG 3.09Å; N43-C49 WeakPolarHBondContact OD1-CB 3.48Å; N43-C49 PolarHBondContact OD1-SG 3.16Å
44E82.9Confident86.7Confident166 Ų16649.8 Ų49.878%0.77627%0.27SS*.THydrogen-bonded Turntrans-74.9-20-179.6-71.7139.1-118.200112.6K23 G46K23-E44 WeakPolarHBondContact CE-OE1 3.31Å; K23-E44 IonicContact NZ-OE1 3.97Å; K23-E44 PolarHBondContact NZ-OE1 3.46Å; E44-G46 VanDerWaalsContact C-N 3.26Å
45D84.3Confident87.9Confident120 Ų12046.1 Ų46.164%0.64225%0.251SS*.THydrogen-bonded Turntrans-85.18.6171.362.9-7.2000113.1N43 S47N43-D45 VanDerWaalsContact C-N 3.29Å; N43-D45 WeakPolarHBondContact CB-OD1 3.27Å; D45-S47 VanDerWaalsContact CG-OG 3.23Å; D45-S47 PolarHBondContact O-N 3.48Å; D45-S47 VanDerWaalsContact OD1-CB 3.25Å; D45-S47 WeakPolarHBondContact OD1-CB 3.38Å; D45-S47 PolarHBondContact OD1-N 3.38Å; D45-S47 PolarHBondContact OD1-OG 2.85Å; D45-S47 PolarHBondContact OD2-OG 2.97Å; D45-S47 VanDerWaalsContact OD2-OG 3.07Å
46G81.6Confident88.6Confident49 Ų4943.1 Ų43.151%0.50524%0.235SC..SBendtrans72.3-3.8-173.300000115.1F42 N43 E44F42-G46 WeakPolarHBondContact CD1-O 3.39Å; N43-G46 PolarHBondContact O-N 2.88Å; E44-G46 VanDerWaalsContact C-N 3.26Å
47S84Confident88.9Confident46 Ų4643.9 Ų43.932%0.32224%0.238SC..  trans-66.3142.1-179.769.50000111.4F42 N43 D45 C49F42-S47 CarbonylContact C-O 3.59Å; F42-S47 VanDerWaalsContact CA-O 3.29Å; F42-S47 WeakPolarHBondContact CA-O 3.21Å; N43-S47 WeakPolarHBondContact CB-OG 3.4Å; N43-S47 PolarHBondContact N-O 3.14Å; N43-S47 PolarHBondContact ND2-OG 3.09Å; D45-S47 VanDerWaalsContact CG-OG 3.23Å; D45-S47 PolarHBondContact O-N 3.48Å; D45-S47 VanDerWaalsContact OD1-CB 3.25Å; D45-S47 WeakPolarHBondContact OD1-CB 3.38Å; D45-S47 PolarHBondContact OD1-N 3.38Å; D45-S47 PolarHBondContact OD1-OG 2.85Å; D45-S47 PolarHBondContact OD2-OG 2.97Å; D45-S47 VanDerWaalsContact OD2-OG 3.07Å; S47-C49 PolarHBondContact O-N 3.18Å
48L84.6Confident88.8Confident89 Ų8943.9 Ų43.947%0.46624%0.237SC..EExtended strand (participates in β ladder)trans-69100.7178.617855.6000110.4F40 F42 R50F40-L48 HydrophobicContact CB-CD1 4.18Å; F40-L48 HydrophobicContact CD1-CD1 3.74Å; F40-L48 HydrophobicContact CD1-CD2 4.03Å; F40-L48 HydrophobicContact CE1-CD2 4.28Å; F40-L48 HydrophobicContact CG-CD1 4.46Å; F42-L48 HydrophobicContact CD1-CB 4.28Å; F42-L48 HydrophobicContact CD1-CD1 4.13Å; F42-L48 HydrophobicContact CE1-CB 4.32Å; F42-L48 HydrophobicContact CE1-CD1 3.96Å; F42-L48 HydrophobicContact CZ-CD1 4.48Å; L48-R50 WeakPolarHBondContact CD1-O 3.4Å
49C81.8Confident88.7Confident46 Ų4642.7 Ų42.731%0.31123%0.234SC..EExtended strand (participates in β ladder)trans-66-48.1176.9-165.60000110.7V41 N43 S47V41-C49 WeakPolarHBondContact O-CA 3.41Å; V41-C49 WeakPolarHBondContact O-CB 3.46Å; V41-C49 PolarHBondContact O-N 3.07Å; N43-C49 WeakPolarHBondContact OD1-CB 3.48Å; N43-C49 PolarHBondContact OD1-SG 3.16Å; S47-C49 PolarHBondContact O-N 3.18Å
50R84Confident87.9Confident80 Ų8042.8 Ų42.830%0.30224%0.235SC..EExtended strand (participates in β ladder)trans-157.3140.6-178.5-56.2-173.9176.5116.17.1113.2F40 V41 L48 R78F40-R50 CarbonylContact C-O 3.53Å; F40-R50 WeakPolarHBondContact CA-O 3.48Å; V41-R50 PolarHBondContact N-O 3.33Å; V41-R50 PolarHBondContact O-N 2.91Å; L48-R50 WeakPolarHBondContact CD1-O 3.4Å; R50-R78 VanDerWaalsContact CD-NH2 3.26Å
51C87.1Confident86.6Confident55 Ų5543.9 Ų43.937%0.37225%0.245SC..EExtended strand (participates in β ladder)trans-103.9151.5157.8-173.80000110L39 F40L39-C51 CarbonylContact O-C 3.59Å; L39-C51 WeakPolarHBondContact O-CA 3.37Å; F40-C51 HydrophobicContact CD1-CB 4.21Å; F40-C51 HydrophobicContact CE1-CB 4.23Å
52Q89.6Confident85.5Confident12 Ų1244.9 Ų44.96%0.05625%0.25CC..EExtended strand (participates in β ladder)trans-152.6144.6168.2-86114.6129.700110.7K38 L39 C73K38-Q52 CarbonylContact C-O 3.59Å; K38-Q52 WeakPolarHBondContact CA-O 3.39Å; L39-Q52 PolarHBondContact N-O 3.44Å; L39-Q52 PolarHBondContact O-N 2.81Å; Q52-C73 HydrophobicContact CB-CB 3.98Å; Q52-C73 HydrophobicContact CG-CB 4.08Å
53D91.3Very high84.1Confident56 Ų5647.6 Ų47.630%0.29927%0.271SS..EExtended strand (participates in β ladder)trans-82.8131.7167-31.6-77.4000109.8L37 C73 T74L37-D53 CarbonylContact O-C 3.57Å; L37-D53 WeakPolarHBondContact O-CA 3.44Å; D53-C73 WeakPolarHBondContact O-CA 3.47Å; D53-C73 VanDerWaalsContact O-CB 3.29Å; D53-C73 WeakPolarHBondContact O-CB 3.37Å; D53-T74 PolarHBondContact O-N 3.41Å; D53-T74 PolarHBondContact OD2-OG1 3.46Å
54V93.2Very high83.1Confident0 Ų053.1 Ų53.10%029%0.293CS..EExtended strand (participates in β ladder)trans-110.1117.5-176.8177.20000109S36 L37 L39 A56 F71 L99S36-V54 CarbonylContact C-O 3.5Å; S36-V54 WeakPolarHBondContact CA-O 3.06Å; S36-V54 WeakPolarHBondContact CB-O 3.49Å; L37-V54 PolarHBondContact N-O 3.39Å; L37-V54 PolarHBondContact O-N 2.92Å; L39-V54 HydrophobicContact CB-CG2 3.67Å; L39-V54 HydrophobicContact CD2-CG2 4.49Å; V54-A56 WeakPolarHBondContact CG1-O 3.45Å; V54-F71 HydrophobicContact CG1-CB 3.98Å; V54-F71 HydrophobicContact CG1-CD1 3.77Å; V54-F71 HydrophobicContact CG1-CG 4.25Å; V54-F71 HydrophobicContact CG2-CB 4.17Å; V54-F71 HydrophobicContact CG2-CD1 4.43Å; V54-F71 HydrophobicContact CG2-CG 4.37Å; V54-L99 HydrophobicContact CG1-CD2 3.96Å
55H92.3Very high82.6Confident7 Ų746.8 Ų46.83%0.03226%0.264CS..EExtended strand (participates in β ladder)trans-100.7-31.9-175.2-54.8-80.3000112.6V72 T74 T159 R162H55-V72 PolarHBondContact N-O 3.22Å; H55-T74 PolarHBondContact NE2-OG1 2.84Å; H55-T159 HydrophobicContact CB-CG2 4.38Å; H55-T159 WeakPolarHBondContact O-CG2 3.49Å; H55-R162 PolarHBondContact ND1-NE 3.05Å
56A93.5Very high82Confident0 Ų047.2 Ų47.20%027%0.266CS..EExtended strand (participates in β ladder)trans-146.9171174.600000110.7V54 V72 C101 H157 T159V54-A56 WeakPolarHBondContact CG1-O 3.45Å; A56-V72 HydrophobicContact CB-CB 4.02Å; A56-V72 HydrophobicContact CB-CG2 4.04Å; A56-V72 PolarHBondContact O-N 2.98Å; A56-C101 HydrophobicContact CB-CB 3.64Å; A56-H157 HydrophobicContact CB-CB 3.87Å; A56-T159 HydrophobicContact CB-CG2 3.84Å
57Y94.3Very high82.2Confident21 Ų2145 Ų458%0.08224%0.243CC..EExtended strand (participates in β ladder)trans-146.5165.2169.576.2-72.3000110.5L59 I69 M70 D92 L95 K96 L99Y57-L59 HydrophobicContact CD2-CD2 4.27Å; Y57-L59 HydrophobicContact CE2-CD2 4.02Å; Y57-L59 HydrophobicContact CE2-CG 4.44Å; Y57-I69 HydrophobicContact CD2-CG2 4.11Å; Y57-M70 CarbonylContact C-O 3.51Å; Y57-M70 VanDerWaalsContact CA-O 3.27Å; Y57-M70 WeakPolarHBondContact CA-O 3.34Å; Y57-D92 WeakPolarHBondContact CE2-OD1 3.24Å; Y57-D92 VanDerWaalsContact CZ-OD1 3.31Å; Y57-D92 PolarHBondContact OH-OD1 2.59Å; Y57-L95 HydrophobicContact CD1-CB 4.01Å; Y57-L95 HydrophobicContact CD1-CD1 4.35Å; Y57-L95 HydrophobicContact CD1-CD2 4.36Å; Y57-L95 HydrophobicContact CD1-CG 4.48Å; Y57-L95 HydrophobicContact CD2-CD1 3.78Å; Y57-L95 HydrophobicContact CE1-CB 3.59Å; Y57-L95 HydrophobicContact CE1-CG 4.5Å; Y57-L95 HydrophobicContact CE2-CB 4.13Å; Y57-L95 HydrophobicContact CE2-CD1 3.95Å; Y57-L95 HydrophobicContact CG-CB 4.47Å; Y57-L95 HydrophobicContact CG-CD1 3.99Å; Y57-K96 WeakPolarHBondContact OH-CG 3.33Å; Y57-L99 HydrophobicContact CD1-CD2 4.28Å
58I91.3Very high82.4Confident3 Ų343 Ų432%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-145.4140.6171.2-175.7171000109.5M70 Y103 Y155I58-M70 HydrophobicContact CG2-CB 3.96Å; I58-M70 HydrophobicContact CG2-CE 3.41Å; I58-M70 VanDerWaalsContact CG2-CE 3.41Å; I58-M70 PolarHBondContact N-O 3.32Å; I58-M70 PolarHBondContact O-N 3.31Å; I58-Y103 HydrophobicContact CB-CD1 4.05Å; I58-Y103 HydrophobicContact CB-CE1 4.31Å; I58-Y103 HydrophobicContact CB-CG 4.31Å; I58-Y103 HydrophobicContact CD1-CD1 4.21Å; I58-Y103 HydrophobicContact CD1-CD2 3.45Å; I58-Y103 VanDerWaalsContact CD1-CD2 3.45Å; I58-Y103 HydrophobicContact CD1-CE1 4.46Å; I58-Y103 HydrophobicContact CD1-CE2 3.74Å; I58-Y103 HydrophobicContact CD1-CG 3.72Å; I58-Y103 HydrophobicContact CG1-CD1 3.89Å; I58-Y103 HydrophobicContact CG1-CD2 3.94Å; I58-Y103 HydrophobicContact CG1-CE1 3.87Å; I58-Y103 HydrophobicContact CG1-CE2 3.92Å; I58-Y103 HydrophobicContact CG1-CG 3.94Å; I58-Y155 HydrophobicContact CD1-CD1 3.41Å; I58-Y155 VanDerWaalsContact CD1-CD1 3.41Å; I58-Y155 HydrophobicContact CD1-CE1 3.47Å; I58-Y155 VanDerWaalsContact CD1-CE1 3.47Å; I58-Y155 HydrophobicContact CD1-CG 4Å
59L88.6Confident82.8Confident36 Ų3638.8 Ų38.819%0.18821%0.207CC..EExtended strand (participates in β ladder)trans-81.2147.6172.4-53.5-176.3000110.5Y57 I69 M88 D92Y57-L59 HydrophobicContact CD2-CD2 4.27Å; Y57-L59 HydrophobicContact CE2-CD2 4.02Å; Y57-L59 HydrophobicContact CE2-CG 4.44Å; L59-I69 HydrophobicContact CD2-CD1 4.26Å; L59-I69 HydrophobicContact CD2-CG1 3.75Å; L59-M88 HydrophobicContact CD2-SD 4.46Å; L59-D92 HydrophobicContact CD2-CB 4.28Å
60G77.4Confident83.3Confident4 Ų436.6 Ų36.64%0.04119%0.192CC..EExtended strand (participates in β ladder)trans-167-179.4171.300000112.3V68G60-V68 PolarHBondContact N-O 3.36Å; G60-V68 WeakPolarHBondContact O-CA 3.49Å; G60-V68 WeakPolarHBondContact O-CB 3.41Å; G60-V68 PolarHBondContact O-N 3.19Å; G60-V68 VanDerWaalsContact O-O 3.13Å
61V66.1Low83.8Confident56 Ų5632.8 Ų32.834%0.33918%0.178SC..EExtended strand (participates in β ladder)trans-118.1126.6179.2-171.50000107.9H65 L907V61-H65 WeakPolarHBondContact CG1-O 3.4Å; V61-L907 HydrophobicContact CB-CD1 3.86Å; V61-L907 HydrophobicContact CG2-CD1 3.86Å
62D68.8Low84.1Confident24 Ų2430.2 Ų30.213%0.12816%0.16CC..EExtended strand (participates in β ladder)trans-88.1154.3167.5-170.1-11.9000107.7K15 W20 K64 H65 V68K15-D62 IonicContact NZ-OD2 2.59Å; K15-D62 PolarHBondContact NZ-OD2 3.08Å; W20-D62 WeakPolarHBondContact CZ2-OD2 3.31Å; D62-K64 PolarHBondContact O-N 2.92Å; D62-H65 PolarHBondContact N-O 3.48Å; D62-H65 PolarHBondContact O-N 2.85Å; D62-H65 VanDerWaalsContact O-O 3.13Å; D62-V68 HydrophobicContact CB-CG2 3.77Å
63S62.2Low84.2Confident79 Ų7929.7 Ų29.755%0.55216%0.158SC*.THydrogen-bonded Turntrans-48-2.2170.659.80000117.4
64K67.2Low84Confident166 Ų16628.6 Ų28.672%0.72215%0.153SC*.THydrogen-bonded Turntrans-145.70.8-172.1-58-171.7179.1-111.40114.6D62D62-K64 PolarHBondContact O-N 2.92Å
65H72.5Confident83.6Confident34 Ų3437.7 Ų37.716%0.15719%0.189CC..EExtended strand (participates in β ladder)trans-150.7129.8-179.3-51.4-92.6000109.6W20 V61 D62 G67 V68 S81W20-H65 AromaticContact CD1-NE2 3.26Å; W20-H65 VanDerWaalsContact CD1-NE2 3.26Å; W20-H65 AromaticContact CD2-NE2 3.41Å; W20-H65 AromaticContact CE2-CD2 3.57Å; W20-H65 AromaticContact CE2-NE2 3.21Å; W20-H65 AromaticContact CG-NE2 3.45Å; W20-H65 AromaticContact CZ2-CD2 3.72Å; W20-H65 AromaticContact CZ2-NE2 3.83Å; W20-H65 AromaticContact NE1-CD2 3.62Å; W20-H65 AromaticContact NE1-NE2 3.11Å; W20-H65 PolarHBondContact NE1-NE2 2.81Å; W20-H65 VanDerWaalsContact NE1-NE2 3.11Å; V61-H65 WeakPolarHBondContact CG1-O 3.4Å; D62-H65 PolarHBondContact N-O 3.48Å; D62-H65 PolarHBondContact O-N 2.85Å; D62-H65 VanDerWaalsContact O-O 3.13Å; H65-G67 VanDerWaalsContact C-N 3.31Å; H65-G67 PolarHBondContact O-N 3.09Å; H65-V68 HydrophobicContact CB-CG2 4.01Å; H65-S81 PolarHBondContact CE1-OG 2.88Å; H65-S81 VanDerWaalsContact CG-CB 3.43Å; H65-S81 VanDerWaalsContact CG-OG 3.28Å; H65-S81 PolarHBondContact ND1-OG 3.33Å
66D71.1Confident83.5Confident128 Ų12841.4 Ų41.468%0.68421%0.205SC*.EExtended strand (participates in β ladder)trans-71.2-28.4-169.8-47.5-72.9000112.4
67G85Confident83.3Confident4 Ų442.2 Ų42.24%0.04121%0.209CC..EExtended strand (participates in β ladder)trans-126.2131.7170.100000112.7H65 S81 F82 M88H65-G67 VanDerWaalsContact C-N 3.31Å; H65-G67 PolarHBondContact O-N 3.09Å; G67-S81 CarbonylContact O-C 3.57Å; G67-S81 VanDerWaalsContact O-CA 3.27Å; G67-S81 WeakPolarHBondContact O-CA 3.2Å; G67-S81 WeakPolarHBondContact O-CB 3.47Å; G67-F82 PolarHBondContact O-N 2.88Å; G67-M88 WeakPolarHBondContact CA-SD 3.38Å
68V89.2Confident83.1Confident4 Ų442.7 Ų42.72%0.02421%0.211CC..EExtended strand (participates in β ladder)trans-136.6121.4172.9178.20000110.6W20 G60 D62 H65 C79 I80W20-V68 HydrophobicContact CH2-CG1 4.19Å; W20-V68 HydrophobicContact CH2-CG2 4.35Å; G60-V68 PolarHBondContact N-O 3.36Å; G60-V68 WeakPolarHBondContact O-CA 3.49Å; G60-V68 WeakPolarHBondContact O-CB 3.41Å; G60-V68 PolarHBondContact O-N 3.19Å; G60-V68 VanDerWaalsContact O-O 3.13Å; D62-V68 HydrophobicContact CB-CG2 3.77Å; H65-V68 HydrophobicContact CB-CG2 4.01Å; V68-C79 HydrophobicContact CG1-CB 3.93Å; V68-I80 WeakPolarHBondContact CA-O 3.32Å; V68-I80 WeakPolarHBondContact CG1-O 3.46Å
69I92.4Very high83Confident0 Ų043 Ų430%021%0.213CC..EExtended strand (participates in β ladder)trans-92.7122168.9-60.9-177000108.5Y57 L59 F71 C79 I80 F82 M88 W91 L95Y57-I69 HydrophobicContact CD2-CG2 4.11Å; L59-I69 HydrophobicContact CD2-CD1 4.26Å; L59-I69 HydrophobicContact CD2-CG1 3.75Å; I69-F71 HydrophobicContact CG2-CD1 4Å; I69-F71 HydrophobicContact CG2-CE1 3.6Å; I69-F71 HydrophobicContact CG2-CE2 4.22Å; I69-F71 HydrophobicContact CG2-CG 4.47Å; I69-F71 HydrophobicContact CG2-CZ 3.73Å; I69-C79 WeakPolarHBondContact O-CA 3.5Å; I69-I80 HydrophobicContact CB-CD1 4.46Å; I69-I80 HydrophobicContact CB-CG1 3.94Å; I69-I80 PolarHBondContact N-O 3.19Å; I69-I80 PolarHBondContact O-N 2.86Å; I69-F82 HydrophobicContact CB-CE2 4.36Å; I69-F82 HydrophobicContact CD1-CE2 3.63Å; I69-F82 HydrophobicContact CD1-CZ 4.22Å; I69-F82 HydrophobicContact CG1-CD2 4.39Å; I69-F82 HydrophobicContact CG1-CE2 3.77Å; I69-M88 HydrophobicContact CD1-CG 3.96Å; I69-M88 HydrophobicContact CG1-CG 3.84Å; I69-M88 HydrophobicContact CG1-SD 4.32Å; I69-W91 HydrophobicContact CD1-CB 3.54Å; I69-W91 HydrophobicContact CD1-CG 4.46Å; I69-L95 HydrophobicContact CD1-CD1 4.19Å; I69-L95 HydrophobicContact CG2-CD1 4.12Å
70M92.1Very high83.2Confident0 Ų041.3 Ų41.30%020%0.204CC..EExtended strand (participates in β ladder)trans-104.6104.3174.7-174.1171.470.200111.1Y57 I58 L77 R78 P169 P174Y57-M70 CarbonylContact C-O 3.51Å; Y57-M70 VanDerWaalsContact CA-O 3.27Å; Y57-M70 WeakPolarHBondContact CA-O 3.34Å; I58-M70 HydrophobicContact CG2-CB 3.96Å; I58-M70 HydrophobicContact CG2-CE 3.41Å; I58-M70 VanDerWaalsContact CG2-CE 3.41Å; I58-M70 PolarHBondContact N-O 3.32Å; I58-M70 PolarHBondContact O-N 3.31Å; M70-L77 HydrophobicContact CE-CD1 4Å; M70-L77 HydrophobicContact CG-CB 4.27Å; M70-L77 HydrophobicContact CG-CD1 4.23Å; M70-L77 HydrophobicContact SD-CB 4.43Å; M70-L77 HydrophobicContact SD-CD1 3.53Å; M70-L77 VanDerWaalsContact SD-CD1 3.53Å; M70-R78 CarbonylContact C-O 3.59Å; M70-R78 VanDerWaalsContact CA-O 3.26Å; M70-R78 WeakPolarHBondContact CA-O 3.37Å; M70-P169 HydrophobicContact CE-CB 4.14Å; M70-P169 HydrophobicContact SD-CB 4.38Å; M70-P174 HydrophobicContact SD-CB 3.49Å; M70-P174 WeakPolarHBondContact SD-CB 3.18Å; M70-P174 HydrophobicContact SD-CG 4.16Å
71F94Very high83.8Confident0 Ų041.1 Ų41.10%020%0.203CC..EExtended strand (participates in β ladder)trans-79.5135.1174.8-55.7-68.4000112L39 V54 I69 L77 R78 I80 W91 L95L39-F71 HydrophobicContact CD1-CE2 4.34Å; L39-F71 HydrophobicContact CD2-CD2 3.66Å; L39-F71 HydrophobicContact CD2-CE2 3.96Å; L39-F71 HydrophobicContact CD2-CG 4.34Å; V54-F71 HydrophobicContact CG1-CB 3.98Å; V54-F71 HydrophobicContact CG1-CD1 3.77Å; V54-F71 HydrophobicContact CG1-CG 4.25Å; V54-F71 HydrophobicContact CG2-CB 4.17Å; V54-F71 HydrophobicContact CG2-CD1 4.43Å; V54-F71 HydrophobicContact CG2-CG 4.37Å; I69-F71 HydrophobicContact CG2-CD1 4Å; I69-F71 HydrophobicContact CG2-CE1 3.6Å; I69-F71 HydrophobicContact CG2-CE2 4.22Å; I69-F71 HydrophobicContact CG2-CG 4.47Å; I69-F71 HydrophobicContact CG2-CZ 3.73Å; F71-L77 CarbonylContact O-C 3.58Å; F71-L77 VanDerWaalsContact O-CA 3.29Å; F71-L77 WeakPolarHBondContact O-CA 3.45Å; F71-R78 HydrophobicContact CB-CB 4.26Å; F71-R78 HydrophobicContact CD2-CB 4.14Å; F71-R78 PolarHBondContact N-O 2.89Å; F71-R78 PolarHBondContact O-N 2.95Å; F71-I80 HydrophobicContact CE2-CD1 3.66Å; F71-I80 HydrophobicContact CE2-CG1 3.75Å; F71-I80 HydrophobicContact CE2-CG2 4.05Å; F71-I80 HydrophobicContact CZ-CD1 3.79Å; F71-I80 HydrophobicContact CZ-CG1 4.24Å; F71-W91 HydrophobicContact CZ-CE3 4.07Å; F71-W91 HydrophobicContact CZ-CZ3 4.01Å; F71-L95 HydrophobicContact CE1-CD1 3.77Å; F71-L95 HydrophobicContact CE1-CD2 3.93Å; F71-L95 HydrophobicContact CE1-CG 4.48Å
72V93.7Very high85Confident0 Ų038.6 Ų38.60%019%0.187CC..EExtended strand (participates in β ladder)trans-94.6100.4171.5-171.70000108.7H55 A56 L77 C164 T166 L176H55-V72 PolarHBondContact N-O 3.22Å; A56-V72 HydrophobicContact CB-CB 4.02Å; A56-V72 HydrophobicContact CB-CG2 4.04Å; A56-V72 PolarHBondContact O-N 2.98Å; V72-L77 HydrophobicContact CB-CD2 4.15Å; V72-L77 HydrophobicContact CG1-CD2 4Å; V72-L77 HydrophobicContact CG2-CD2 4.06Å; V72-C164 HydrophobicContact CG1-CB 3.88Å; V72-T166 HydrophobicContact CG1-CG2 4.3Å; V72-T166 HydrophobicContact CG2-CG2 4.17Å; V72-L176 HydrophobicContact CG1-CD1 4.15Å
73C92Very high85.7Confident2 Ų246.1 Ų46.11%0.01421%0.214CC..EExtended strand (participates in β ladder)trans-99159.8178.5-45.30000111.1Q52 D53 Y75 K76Q52-C73 HydrophobicContact CB-CB 3.98Å; Q52-C73 HydrophobicContact CG-CB 4.08Å; D53-C73 WeakPolarHBondContact O-CA 3.47Å; D53-C73 VanDerWaalsContact O-CB 3.29Å; D53-C73 WeakPolarHBondContact O-CB 3.37Å; C73-Y75 PolarHBondContact O-N 3.47Å; C73-K76 CarbonylContact C-O 3.59Å; C73-K76 WeakPolarHBondContact CA-O 3.35Å; C73-K76 WeakPolarHBondContact CB-O 3.17Å; C73-K76 PolarHBondContact N-O 2.94Å; C73-K76 PolarHBondContact O-N 3.39Å
74T88Confident86.7Confident32 Ų3247.2 Ų47.220%0.19621%0.21CC..THydrogen-bonded Turntrans-43.4-32-172.4-38.90000116.2D53 H55D53-T74 PolarHBondContact O-N 3.41Å; D53-T74 PolarHBondContact OD2-OG1 3.46Å; H55-T74 PolarHBondContact NE2-OG1 2.84Å
75Y84.8Confident87.5Confident191 Ų19145.6 Ų45.675%0.74920%0.203SC*.THydrogen-bonded Turntrans-134.24.1-175.4-53.2-65.8000115C73C73-Y75 PolarHBondContact O-N 3.47Å
76K89.1Confident88.2Confident85 Ų8549.6 Ų49.637%0.3722%0.222SC..EExtended strand (participates in β ladder)trans-174.5164.7-17459.8-135.2176.2-157.40111.7C73C73-K76 CarbonylContact C-O 3.59Å; C73-K76 WeakPolarHBondContact CA-O 3.35Å; C73-K76 WeakPolarHBondContact CB-O 3.17Å; C73-K76 PolarHBondContact N-O 2.94Å; C73-K76 PolarHBondContact O-N 3.39Å
77L89.7Confident89Confident18 Ų1846.5 Ų46.59%0.09420%0.203CC..EExtended strand (participates in β ladder)trans-92.1156.9169.8-49.8-174000111.7M70 F71 V72 T166 P174 R175 L176M70-L77 HydrophobicContact CE-CD1 4Å; M70-L77 HydrophobicContact CG-CB 4.27Å; M70-L77 HydrophobicContact CG-CD1 4.23Å; M70-L77 HydrophobicContact SD-CB 4.43Å; M70-L77 HydrophobicContact SD-CD1 3.53Å; M70-L77 VanDerWaalsContact SD-CD1 3.53Å; F71-L77 CarbonylContact O-C 3.58Å; F71-L77 VanDerWaalsContact O-CA 3.29Å; F71-L77 WeakPolarHBondContact O-CA 3.45Å; V72-L77 HydrophobicContact CB-CD2 4.15Å; V72-L77 HydrophobicContact CG1-CD2 4Å; V72-L77 HydrophobicContact CG2-CD2 4.06Å; L77-T166 HydrophobicContact CD1-CG2 4.14Å; L77-T166 HydrophobicContact CD2-CG2 3.8Å; L77-P174 HydrophobicContact CD1-CB 3.95Å; L77-R175 VanDerWaalsContact CD1-C 3.45Å; L77-L176 HydrophobicContact CD2-CB 4.03Å; L77-L176 HydrophobicContact CG-CB 4.34Å
78R89.6Confident89.3Confident30 Ų3046.9 Ų46.911%0.11320%0.204CC..EExtended strand (participates in β ladder)trans-127.5138.8166.4-73.5-69.1174.8-148.8-8.1109.7L39 R50 M70 F71L39-R78 HydrophobicContact CD2-CB 4.23Å; L39-R78 HydrophobicContact CD2-CG 4.23Å; R50-R78 VanDerWaalsContact CD-NH2 3.26Å; M70-R78 CarbonylContact C-O 3.59Å; M70-R78 VanDerWaalsContact CA-O 3.26Å; M70-R78 WeakPolarHBondContact CA-O 3.37Å; F71-R78 HydrophobicContact CB-CB 4.26Å; F71-R78 HydrophobicContact CD2-CB 4.14Å; F71-R78 PolarHBondContact N-O 2.89Å; F71-R78 PolarHBondContact O-N 2.95Å
79C90Very high89.4Confident9 Ų948.8 Ų48.86%0.06122%0.216CC..EExtended strand (participates in β ladder)trans-114.2127.1169.6-490000107.7K15 W20 V68 I69K15-C79 HydrophobicContact CB-CB 3.9Å; K15-C79 HydrophobicContact CD-CB 4.12Å; K15-C79 PolarHBondContact N-O 3.02Å; W20-C79 HydrophobicContact CH2-CB 3.66Å; W20-C79 HydrophobicContact CZ2-CB 4.47Å; W20-C79 HydrophobicContact CZ3-CB 4.22Å; W20-C79 WeakPolarHBondContact CZ3-O 3.36Å; V68-C79 HydrophobicContact CG1-CB 3.93Å; I69-C79 WeakPolarHBondContact O-CA 3.5Å
80I91.6Very high89.4Confident1 Ų155 Ų551%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-109.7145.8159.765172.1000107.8V12 P13 V14 V68 I69 F71 F82 W91V12-I80 HydrophobicContact CB-CB 4.37Å; V12-I80 HydrophobicContact CG2-CB 3.9Å; V12-I80 HydrophobicContact CG2-CD1 4.19Å; V12-I80 HydrophobicContact CG2-CG2 3.88Å; P13-I80 CarbonylContact O-C 3.5Å; P13-I80 WeakPolarHBondContact O-CA 3.17Å; V14-I80 HydrophobicContact CG1-CG2 4.44Å; V14-I80 HydrophobicContact CG2-CG2 4.09Å; V68-I80 WeakPolarHBondContact CA-O 3.32Å; V68-I80 WeakPolarHBondContact CG1-O 3.46Å; I69-I80 HydrophobicContact CB-CD1 4.46Å; I69-I80 HydrophobicContact CB-CG1 3.94Å; I69-I80 PolarHBondContact N-O 3.19Å; I69-I80 PolarHBondContact O-N 2.86Å; F71-I80 HydrophobicContact CE2-CD1 3.66Å; F71-I80 HydrophobicContact CE2-CG1 3.75Å; F71-I80 HydrophobicContact CE2-CG2 4.05Å; F71-I80 HydrophobicContact CZ-CD1 3.79Å; F71-I80 HydrophobicContact CZ-CG1 4.24Å; I80-F82 HydrophobicContact CD1-CE2 3.72Å; I80-F82 HydrophobicContact CD1-CZ 3.53Å; I80-F82 HydrophobicContact CG1-CE2 3.84Å; I80-F82 HydrophobicContact CG1-CZ 4.14Å; I80-W91 HydrophobicContact CD1-CD2 4.07Å; I80-W91 HydrophobicContact CD1-CE3 3.83Å; I80-W91 HydrophobicContact CD1-CH2 4.21Å; I80-W91 HydrophobicContact CD1-CZ2 4.42Å; I80-W91 HydrophobicContact CD1-CZ3 3.9Å
81S91.4Very high89.5Confident1 Ų155.1 Ų55.11%0.00724%0.243CC..EExtended strand (participates in β ladder)trans-117.5158.9175.470.60000112P13 H65 G67P13-S81 WeakPolarHBondContact CD-O 3.47Å; P13-S81 PolarHBondContact O-N 3.39Å; H65-S81 PolarHBondContact CE1-OG 2.88Å; H65-S81 VanDerWaalsContact CG-CB 3.43Å; H65-S81 VanDerWaalsContact CG-OG 3.28Å; H65-S81 PolarHBondContact ND1-OG 3.33Å; G67-S81 CarbonylContact O-C 3.57Å; G67-S81 VanDerWaalsContact O-CA 3.27Å; G67-S81 WeakPolarHBondContact O-CA 3.2Å; G67-S81 WeakPolarHBondContact O-CB 3.47Å
82F90.4Very high89.5Confident3 Ų355.9 Ų55.91%0.01325%0.248CC..EExtended strand (participates in β ladder)trans-125.1155.4-179.9-65.1-82.2000109.7V12 G67 I69 I80 E87 M88 W91V12-F82 HydrophobicContact CG1-CD1 4.16Å; V12-F82 HydrophobicContact CG1-CE1 3.51Å; V12-F82 HydrophobicContact CG1-CZ 3.98Å; G67-F82 PolarHBondContact O-N 2.88Å; I69-F82 HydrophobicContact CB-CE2 4.36Å; I69-F82 HydrophobicContact CD1-CE2 3.63Å; I69-F82 HydrophobicContact CD1-CZ 4.22Å; I69-F82 HydrophobicContact CG1-CD2 4.39Å; I69-F82 HydrophobicContact CG1-CE2 3.77Å; I80-F82 HydrophobicContact CD1-CE2 3.72Å; I80-F82 HydrophobicContact CD1-CZ 3.53Å; I80-F82 HydrophobicContact CG1-CE2 3.84Å; I80-F82 HydrophobicContact CG1-CZ 4.14Å; F82-E87 HydrophobicContact CD1-CB 3.49Å; F82-E87 VanDerWaalsContact CD1-CB 3.49Å; F82-E87 HydrophobicContact CE1-CB 4.07Å; F82-E87 HydrophobicContact CG-CB 4.32Å; F82-M88 HydrophobicContact CB-CB 4.03Å; F82-M88 HydrophobicContact CD2-CB 3.63Å; F82-M88 HydrophobicContact CD2-CG 3.71Å; F82-M88 HydrophobicContact CD2-SD 4.41Å; F82-M88 HydrophobicContact CE2-CB 4.25Å; F82-M88 HydrophobicContact CE2-CG 4.11Å; F82-M88 HydrophobicContact CG-CB 3.79Å; F82-M88 HydrophobicContact CG-CG 4.38Å; F82-W91 AromaticContact CE1-CD1 3.41Å; F82-W91 VanDerWaalsContact CE1-CD1 3.41Å; F82-W91 HydrophobicContact CE1-CG 4.03Å; F82-W91 AromaticContact CE1-NE1 3.57Å; F82-W91 HydrophobicContact CE2-CG 4.47Å; F82-W91 HydrophobicContact CZ-CB 4Å; F82-W91 AromaticContact CZ-CD1 3.38Å; F82-W91 AromaticContact CZ-CD2 3.9Å; F82-W91 HydrophobicContact CZ-CD2 3.9Å; F82-W91 AromaticContact CZ-CG 3.5Å; F82-W91 HydrophobicContact CZ-CG 3.5Å; F82-W91 AromaticContact CZ-NE1 3.69Å
83R84.2Confident89.5Confident181 Ų18159.6 Ų59.668%0.68327%0.268SS*.SBendtrans-98.7-34170.7-74177.5166.4-167.4-8.9111.4
84H83.8Confident89.5Confident102 Ų10261.7 Ų61.747%0.47228%0.278SS..SBendtrans-110132.2-176.8-57.5-70.5000108.4E86 E87 M88H84-E86 WeakPolarHBondContact CB-OE2 3.39Å; H84-E86 PolarHBondContact O-N 2.81Å; H84-E87 HydrophobicContact CB-CG 3.91Å; H84-E87 IonicContact CD2-OE1 3.2Å; H84-E87 PolarHBondContact CD2-OE1 3.03Å; H84-E87 IonicContact CD2-OE2 3.44Å; H84-E87 PolarHBondContact N-OE2 3.3Å; H84-E87 WeakPolarHBondContact O-CB 3.37Å; H84-E87 PolarHBondContact O-N 2.57Å; H84-M88 PolarHBondContact O-N 3.23Å
85F84Confident89.8Confident132 Ų13260.1 Ų60.158%0.57927%0.269SS*.Hα-helixtrans-64.3-34-177.1-173.8-95000110.3E87 M88 T89F85-E87 VanDerWaalsContact C-N 3.3Å; F85-E87 PolarHBondContact O-N 2.82Å; F85-M88 HydrophobicContact CD2-CE 3.66Å; F85-M88 HydrophobicContact CE2-CE 3.51Å; F85-M88 HydrophobicContact CZ-CE 4.39Å; F85-M88 CarbonylContact O-C 3.57Å; F85-M88 WeakPolarHBondContact O-CA 3.4Å; F85-M88 WeakPolarHBondContact O-CB 3.48Å; F85-M88 PolarHBondContact O-N 3.39Å; F85-T89 WeakPolarHBondContact CD1-OG1 3.3Å; F85-T89 VanDerWaalsContact CE1-OG1 3.32Å; F85-T89 WeakPolarHBondContact CE1-OG1 3.37Å; F85-T89 PolarHBondContact O-N 3.36Å; F85-T89 PolarHBondContact O-OG1 3.08Å
86E86.8Confident90.1Very high119 Ų11956.5 Ų56.556%0.55626%0.256SS*.Hα-helixtrans-60.7-33.7176.5-54.178.2-175.300112.8H84 K90H84-E86 WeakPolarHBondContact CB-OE2 3.39Å; H84-E86 PolarHBondContact O-N 2.81Å; E86-K90 WeakPolarHBondContact O-CD 3.47Å; E86-K90 VanDerWaalsContact O-CG 3.25Å; E86-K90 WeakPolarHBondContact O-CG 3.29Å; E86-K90 PolarHBondContact O-N 3.01Å
87E88.3Confident90.1Very high63 Ų6356 Ų5629%0.29427%0.269SS..Hα-helixtrans-68.1-47.8171.8-64.4166.4160.900109.9F82 H84 F85 T89 K90 W91F82-E87 HydrophobicContact CD1-CB 3.49Å; F82-E87 VanDerWaalsContact CD1-CB 3.49Å; F82-E87 HydrophobicContact CE1-CB 4.07Å; F82-E87 HydrophobicContact CG-CB 4.32Å; H84-E87 HydrophobicContact CB-CG 3.91Å; H84-E87 IonicContact CD2-OE1 3.2Å; H84-E87 PolarHBondContact CD2-OE1 3.03Å; H84-E87 IonicContact CD2-OE2 3.44Å; H84-E87 PolarHBondContact N-OE2 3.3Å; H84-E87 WeakPolarHBondContact O-CB 3.37Å; H84-E87 PolarHBondContact O-N 2.57Å; F85-E87 VanDerWaalsContact C-N 3.3Å; F85-E87 PolarHBondContact O-N 2.82Å; E87-T89 VanDerWaalsContact C-N 3.35Å; E87-T89 PolarHBondContact O-N 3.25Å; E87-K90 PolarHBondContact O-N 2.87Å; E87-W91 PolarHBondContact O-N 3Å
88M90.7Very high90.1Very high11 Ų1156.7 Ų56.75%0.05427%0.272CS..Hα-helixtrans-62.6-40.5178.9-170.5176.86400112L59 G67 I69 F82 H84 F85 W91 D92L59-M88 HydrophobicContact CD2-SD 4.46Å; G67-M88 WeakPolarHBondContact CA-SD 3.38Å; I69-M88 HydrophobicContact CD1-CG 3.96Å; I69-M88 HydrophobicContact CG1-CG 3.84Å; I69-M88 HydrophobicContact CG1-SD 4.32Å; F82-M88 HydrophobicContact CB-CB 4.03Å; F82-M88 HydrophobicContact CD2-CB 3.63Å; F82-M88 HydrophobicContact CD2-CG 3.71Å; F82-M88 HydrophobicContact CD2-SD 4.41Å; F82-M88 HydrophobicContact CE2-CB 4.25Å; F82-M88 HydrophobicContact CE2-CG 4.11Å; F82-M88 HydrophobicContact CG-CB 3.79Å; F82-M88 HydrophobicContact CG-CG 4.38Å; H84-M88 PolarHBondContact O-N 3.23Å; F85-M88 HydrophobicContact CD2-CE 3.66Å; F85-M88 HydrophobicContact CE2-CE 3.51Å; F85-M88 HydrophobicContact CZ-CE 4.39Å; F85-M88 CarbonylContact O-C 3.57Å; F85-M88 WeakPolarHBondContact O-CA 3.4Å; F85-M88 WeakPolarHBondContact O-CB 3.48Å; F85-M88 PolarHBondContact O-N 3.39Å; M88-W91 PolarHBondContact O-N 3.3Å; M88-D92 WeakPolarHBondContact O-CB 3.19Å; M88-D92 PolarHBondContact O-N 2.67Å
89T90.7Very high90Very high45 Ų4555.6 Ų55.628%0.27627%0.269SS..Hα-helixtrans-61.6-44.1177.2-55.10000111.5F85 E87 W91 D92 D93F85-T89 WeakPolarHBondContact CD1-OG1 3.3Å; F85-T89 VanDerWaalsContact CE1-OG1 3.32Å; F85-T89 WeakPolarHBondContact CE1-OG1 3.37Å; F85-T89 PolarHBondContact O-N 3.36Å; F85-T89 PolarHBondContact O-OG1 3.08Å; E87-T89 VanDerWaalsContact C-N 3.35Å; E87-T89 PolarHBondContact O-N 3.25Å; T89-W91 VanDerWaalsContact C-N 3.3Å; T89-W91 PolarHBondContact O-N 2.96Å; T89-D92 PolarHBondContact O-N 3.16Å; T89-D92 VanDerWaalsContact O-N 3.15Å; T89-D93 WeakPolarHBondContact CG2-OD2 3.47Å; T89-D93 PolarHBondContact O-N 2.94Å
90K92.6Very high89.8Confident131 Ų13164.2 Ų64.257%0.5731%0.305SS*.Hα-helixtrans-58-41.8175-70.3163.2-171.2172.30112.2I8 E86 E87 I94I8-K90 HydrophobicContact CD1-CB 4.45Å; E86-K90 WeakPolarHBondContact O-CD 3.47Å; E86-K90 VanDerWaalsContact O-CG 3.25Å; E86-K90 WeakPolarHBondContact O-CG 3.29Å; E86-K90 PolarHBondContact O-N 3.01Å; E87-K90 PolarHBondContact O-N 2.87Å; K90-I94 WeakPolarHBondContact O-CB 3.41Å; K90-I94 WeakPolarHBondContact O-CD1 3.37Å; K90-I94 VanDerWaalsContact O-CG1 3.28Å; K90-I94 WeakPolarHBondContact O-CG1 3.2Å; K90-I94 PolarHBondContact O-N 3.13Å
91W94.5Very high89.7Confident1 Ų165.3 Ų65.30%0.00431%0.312CS..Hα-helixtrans-67.6-42.6175-8379.4000112.1I8 D10 V12 C25 L27 I69 F71 I80 F82 E87 M88 T89 L95I8-W91 VanDerWaalsContact CD1-CD1 3.43Å; I8-W91 HydrophobicContact CD1-CD2 4.06Å; I8-W91 HydrophobicContact CD1-CG 3.82Å; I8-W91 HydrophobicContact CG1-CD2 4.37Å; I8-W91 HydrophobicContact CG1-CZ2 4.23Å; I8-W91 HydrophobicContact CG2-CD2 3.95Å; I8-W91 HydrophobicContact CG2-CE3 3.87Å; I8-W91 HydrophobicContact CG2-CH2 4.16Å; I8-W91 HydrophobicContact CG2-CZ2 4.23Å; I8-W91 HydrophobicContact CG2-CZ3 3.98Å; D10-W91 HydrophobicContact CB-CZ2 3.92Å; V12-W91 HydrophobicContact CG1-CZ2 4.45Å; C25-W91 HydrophobicContact CB-CH2 4.11Å; L27-W91 HydrophobicContact CB-CZ3 4.2Å; I69-W91 HydrophobicContact CD1-CB 3.54Å; I69-W91 HydrophobicContact CD1-CG 4.46Å; F71-W91 HydrophobicContact CZ-CE3 4.07Å; F71-W91 HydrophobicContact CZ-CZ3 4.01Å; I80-W91 HydrophobicContact CD1-CD2 4.07Å; I80-W91 HydrophobicContact CD1-CE3 3.83Å; I80-W91 HydrophobicContact CD1-CH2 4.21Å; I80-W91 HydrophobicContact CD1-CZ2 4.42Å; I80-W91 HydrophobicContact CD1-CZ3 3.9Å; F82-W91 AromaticContact CE1-CD1 3.41Å; F82-W91 VanDerWaalsContact CE1-CD1 3.41Å; F82-W91 HydrophobicContact CE1-CG 4.03Å; F82-W91 AromaticContact CE1-NE1 3.57Å; F82-W91 HydrophobicContact CE2-CG 4.47Å; F82-W91 HydrophobicContact CZ-CB 4Å; F82-W91 AromaticContact CZ-CD1 3.38Å; F82-W91 AromaticContact CZ-CD2 3.9Å; F82-W91 HydrophobicContact CZ-CD2 3.9Å; F82-W91 AromaticContact CZ-CG 3.5Å; F82-W91 HydrophobicContact CZ-CG 3.5Å; F82-W91 AromaticContact CZ-NE1 3.69Å; E87-W91 PolarHBondContact O-N 3Å; M88-W91 PolarHBondContact O-N 3.3Å; T89-W91 VanDerWaalsContact C-N 3.3Å; T89-W91 PolarHBondContact O-N 2.96Å; W91-L95 WeakPolarHBondContact O-CB 3.43Å; W91-L95 VanDerWaalsContact O-CD1 3.29Å; W91-L95 WeakPolarHBondContact O-CD1 2.91Å; W91-L95 WeakPolarHBondContact O-CG 3.3Å; W91-L95 PolarHBondContact O-N 3.41Å
92D93Very high89.6Confident17 Ų1768 Ų689%0.09133%0.331CS..Hα-helixtrans-63-46178.4-179.236.8000112.5Y57 L59 M88 T89 I94 L95 K96Y57-D92 WeakPolarHBondContact CE2-OD1 3.24Å; Y57-D92 VanDerWaalsContact CZ-OD1 3.31Å; Y57-D92 PolarHBondContact OH-OD1 2.59Å; L59-D92 HydrophobicContact CD2-CB 4.28Å; M88-D92 WeakPolarHBondContact O-CB 3.19Å; M88-D92 PolarHBondContact O-N 2.67Å; T89-D92 PolarHBondContact O-N 3.16Å; T89-D92 VanDerWaalsContact O-N 3.15Å; D92-I94 PolarHBondContact O-N 3.08Å; D92-L95 CarbonylContact O-C 3.6Å; D92-L95 WeakPolarHBondContact O-CA 3.37Å; D92-L95 WeakPolarHBondContact O-CB 3.43Å; D92-L95 PolarHBondContact O-N 3.38Å; D92-L95 VanDerWaalsContact O-N 3.12Å; D92-K96 VanDerWaalsContact CG-CE 3.4Å; D92-K96 WeakPolarHBondContact O-CG 3.27Å; D92-K96 PolarHBondContact O-N 3.05Å; D92-K96 WeakPolarHBondContact OD1-CE 3.28Å; D92-K96 IonicContact OD1-NZ 3.64Å; D92-K96 WeakPolarHBondContact OD2-CE 3.46Å; D92-K96 IonicContact OD2-NZ 3.32Å; D92-K96 PolarHBondContact OD2-NZ 2.87Å
93D93.7Very high89.7Confident78 Ų7872 Ų7242%0.41735%0.347SS..Hα-helixtrans-66.4-37.4179.7-67.2-26.2000112.4T89 L95 K96 A97T89-D93 WeakPolarHBondContact CG2-OD2 3.47Å; T89-D93 PolarHBondContact O-N 2.94Å; D93-L95 VanDerWaalsContact C-N 3.31Å; D93-L95 PolarHBondContact O-N 2.87Å; D93-K96 PolarHBondContact O-N 3.34Å; D93-K96 IonicContact OD1-NZ 3.01Å; D93-K96 PolarHBondContact OD1-NZ 2.76Å; D93-A97 WeakPolarHBondContact O-CB 3.33Å; D93-A97 PolarHBondContact O-N 2.78Å
94I92.8Very high89.9Confident45 Ų4563.7 Ų63.723%0.23132%0.316CS..Hα-helixtrans-66.3-34.9172.9-71173.1000111.3L7 I8 K90 D92 N98L7-I94 HydrophobicContact CB-CG2 3.73Å; L7-I94 HydrophobicContact CD1-CG2 4.29Å; I8-I94 HydrophobicContact CB-CD1 3.84Å; I8-I94 HydrophobicContact CD1-CD1 3.89Å; I8-I94 HydrophobicContact CG1-CD1 4.39Å; I8-I94 HydrophobicContact CG2-CD1 4.39Å; I8-I94 HydrophobicContact CG2-CG2 4.17Å; K90-I94 WeakPolarHBondContact O-CB 3.41Å; K90-I94 WeakPolarHBondContact O-CD1 3.37Å; K90-I94 VanDerWaalsContact O-CG1 3.28Å; K90-I94 WeakPolarHBondContact O-CG1 3.2Å; K90-I94 PolarHBondContact O-N 3.13Å; D92-I94 PolarHBondContact O-N 3.08Å; I94-N98 WeakPolarHBondContact O-CB 3.42Å; I94-N98 PolarHBondContact O-N 3.22Å; I94-N98 PolarHBondContact O-ND2 3.19Å
95L93.3Very high90.2Very high0 Ų061.5 Ų61.50%031%0.305CS..Hα-helixtrans-68.2-49173.3-72.4159.2000111.4L27 L37 Y57 I69 F71 W91 D92 D93 A97 N98 L99L27-L95 HydrophobicContact CD2-CD2 3.66Å; L27-L95 HydrophobicContact CD2-CG 4.21Å; L37-L95 HydrophobicContact CD1-CD2 4.31Å; Y57-L95 HydrophobicContact CD1-CB 4.01Å; Y57-L95 HydrophobicContact CD1-CD1 4.35Å; Y57-L95 HydrophobicContact CD1-CD2 4.36Å; Y57-L95 HydrophobicContact CD1-CG 4.48Å; Y57-L95 HydrophobicContact CD2-CD1 3.78Å; Y57-L95 HydrophobicContact CE1-CB 3.59Å; Y57-L95 HydrophobicContact CE1-CG 4.5Å; Y57-L95 HydrophobicContact CE2-CB 4.13Å; Y57-L95 HydrophobicContact CE2-CD1 3.95Å; Y57-L95 HydrophobicContact CG-CB 4.47Å; Y57-L95 HydrophobicContact CG-CD1 3.99Å; I69-L95 HydrophobicContact CD1-CD1 4.19Å; I69-L95 HydrophobicContact CG2-CD1 4.12Å; F71-L95 HydrophobicContact CE1-CD1 3.77Å; F71-L95 HydrophobicContact CE1-CD2 3.93Å; F71-L95 HydrophobicContact CE1-CG 4.48Å; W91-L95 WeakPolarHBondContact O-CB 3.43Å; W91-L95 VanDerWaalsContact O-CD1 3.29Å; W91-L95 WeakPolarHBondContact O-CD1 2.91Å; W91-L95 WeakPolarHBondContact O-CG 3.3Å; W91-L95 PolarHBondContact O-N 3.41Å; D92-L95 CarbonylContact O-C 3.6Å; D92-L95 WeakPolarHBondContact O-CA 3.37Å; D92-L95 WeakPolarHBondContact O-CB 3.43Å; D92-L95 PolarHBondContact O-N 3.38Å; D92-L95 VanDerWaalsContact O-N 3.12Å; D93-L95 VanDerWaalsContact C-N 3.31Å; D93-L95 PolarHBondContact O-N 2.87Å; L95-A97 VanDerWaalsContact C-N 3.27Å; L95-A97 PolarHBondContact O-N 3.38Å; L95-N98 PolarHBondContact O-N 3.04Å; L95-N98 VanDerWaalsContact O-N 3.11Å; L95-L99 HydrophobicContact CD2-CD2 4.44Å; L95-L99 WeakPolarHBondContact O-CB 3.3Å; L95-L99 PolarHBondContact O-N 3.41Å
96K91.2Very high90.3Very high114 Ų11455.2 Ų55.250%0.49628%0.278SS..Hα-helixtrans-53-44.1174.4-68.6170.9-165.8144.80112.1Y57 D92 D93 N98Y57-K96 WeakPolarHBondContact OH-CG 3.33Å; D92-K96 VanDerWaalsContact CG-CE 3.4Å; D92-K96 WeakPolarHBondContact O-CG 3.27Å; D92-K96 PolarHBondContact O-N 3.05Å; D92-K96 WeakPolarHBondContact OD1-CE 3.28Å; D92-K96 IonicContact OD1-NZ 3.64Å; D92-K96 WeakPolarHBondContact OD2-CE 3.46Å; D92-K96 IonicContact OD2-NZ 3.32Å; D92-K96 PolarHBondContact OD2-NZ 2.87Å; D93-K96 PolarHBondContact O-N 3.34Å; D93-K96 IonicContact OD1-NZ 3.01Å; D93-K96 PolarHBondContact OD1-NZ 2.76Å; K96-N98 VanDerWaalsContact C-N 3.32Å; K96-N98 PolarHBondContact O-N 3.32Å
97A89.6Confident90.3Very high76 Ų7650.6 Ų50.663%0.62826%0.257SS*.Hα-helixtrans-69.6-24.8-178.500000114D93 L95D93-A97 WeakPolarHBondContact O-CB 3.33Å; D93-A97 PolarHBondContact O-N 2.78Å; L95-A97 VanDerWaalsContact C-N 3.27Å; L95-A97 PolarHBondContact O-N 3.38Å
98N89.3Confident90.3Very high32 Ų3247.7 Ų47.717%0.17124%0.244CC..Hα-helixtrans-118.9-17.8-170.2-70.9-82.7000115.3L7 R29 L37 I94 L95 K96L7-N98 HydrophobicContact CD1-CB 3.83Å; R29-N98 PolarHBondContact NH1-OD1 2.76Å; L37-N98 HydrophobicContact CD1-CB 3.78Å; L37-N98 HydrophobicContact CD2-CB 4.11Å; I94-N98 WeakPolarHBondContact O-CB 3.42Å; I94-N98 PolarHBondContact O-N 3.22Å; I94-N98 PolarHBondContact O-ND2 3.19Å; L95-N98 PolarHBondContact O-N 3.04Å; L95-N98 VanDerWaalsContact O-N 3.11Å; K96-N98 VanDerWaalsContact C-N 3.32Å; K96-N98 PolarHBondContact O-N 3.32Å
99L88.6Confident90.1Very high7 Ų748.7 Ų48.74%0.03725%0.249CC..  trans-130.3107.1-174.1-171.265.3000111.4N35 L37 V54 Y57 L95 C101N35-L99 WeakPolarHBondContact O-CD1 3.42Å; L37-L99 HydrophobicContact CD1-CB 4.05Å; L37-L99 HydrophobicContact CG-CB 4.47Å; L37-L99 HydrophobicContact CG-CD1 4.48Å; V54-L99 HydrophobicContact CG1-CD2 3.96Å; Y57-L99 HydrophobicContact CD1-CD2 4.28Å; L95-L99 HydrophobicContact CD2-CD2 4.44Å; L95-L99 WeakPolarHBondContact O-CB 3.3Å; L95-L99 PolarHBondContact O-N 3.41Å; L99-C101 PolarHBondContact O-N 3.47Å; L99-C101 VanDerWaalsContact O-N 3.15Å
100K85.9Confident89.9Confident190 Ų19049.4 Ų49.483%0.82625%0.253SS*.  trans-8193.2176.1-70-163.9173.6-163.80111
101C88.9Confident89.8Confident23 Ų2343.6 Ų43.616%0.15523%0.23CC..EExtended strand (participates in β ladder)trans-136.4163.2172.3630000111.6A56 L99 V158 T159A56-C101 HydrophobicContact CB-CB 3.64Å; L99-C101 PolarHBondContact O-N 3.47Å; L99-C101 VanDerWaalsContact O-N 3.15Å; C101-V158 CarbonylContact C-O 3.59Å; C101-V158 WeakPolarHBondContact CA-O 3.32Å; C101-T159 HydrophobicContact CB-CG2 3.96Å
102S90Very high89.5Confident57 Ų5745.1 Ų45.140%0.39924%0.24SC..EExtended strand (participates in β ladder)trans-151.7150.7173.2-70.10000110.4H157 V158 M238S102-H157 CarbonylContact O-C 3.53Å; S102-H157 WeakPolarHBondContact O-CA 3.48Å; S102-V158 PolarHBondContact N-O 3.01Å; S102-V158 PolarHBondContact O-N 2.85Å; S102-M238 WeakPolarHBondContact CB-SD 3.48Å
103Y91Very high89.2Confident87 Ų8751.4 Ų51.434%0.34127%0.266SS..EExtended strand (participates in β ladder)trans-126.4146.3-173.960.2-97.6000112.6I58 Y155 L156I58-Y103 HydrophobicContact CB-CD1 4.05Å; I58-Y103 HydrophobicContact CB-CE1 4.31Å; I58-Y103 HydrophobicContact CB-CG 4.31Å; I58-Y103 HydrophobicContact CD1-CD1 4.21Å; I58-Y103 HydrophobicContact CD1-CD2 3.45Å; I58-Y103 VanDerWaalsContact CD1-CD2 3.45Å; I58-Y103 HydrophobicContact CD1-CE1 4.46Å; I58-Y103 HydrophobicContact CD1-CE2 3.74Å; I58-Y103 HydrophobicContact CD1-CG 3.72Å; I58-Y103 HydrophobicContact CG1-CD1 3.89Å; I58-Y103 HydrophobicContact CG1-CD2 3.94Å; I58-Y103 HydrophobicContact CG1-CE1 3.87Å; I58-Y103 HydrophobicContact CG1-CE2 3.92Å; I58-Y103 HydrophobicContact CG1-CG 3.94Å; Y103-Y155 HydrophobicContact CD2-CD1 4.08Å; Y103-Y155 HydrophobicContact CD2-CE1 4.22Å; Y103-L156 CarbonylContact C-O 3.53Å; Y103-L156 WeakPolarHBondContact CA-O 3.46Å
104F90.1Very high88.8Confident8 Ų852.9 Ų52.94%0.03527%0.274CS..EExtended strand (participates in β ladder)trans-133.5130.6-174.5-64.4-99.2000108.6A106 Y155 L156 R231 D234 L235 M238F104-A106 PolarHBondContact O-N 2.81Å; F104-Y155 CarbonylContact O-C 3.6Å; F104-Y155 VanDerWaalsContact O-CA 3.29Å; F104-Y155 WeakPolarHBondContact O-CA 3.49Å; F104-L156 PolarHBondContact N-O 2.77Å; F104-L156 PolarHBondContact O-N 3.32Å; F104-R231 HydrophobicContact CD1-CB 3.84Å; F104-R231 HydrophobicContact CE1-CB 4.25Å; F104-D234 HydrophobicContact CE1-CB 3.76Å; F104-L235 HydrophobicContact CB-CD1 4.49Å; F104-L235 HydrophobicContact CD1-CB 4.02Å; F104-L235 HydrophobicContact CD2-CD1 3.81Å; F104-L235 HydrophobicContact CE1-CB 4.28Å; F104-L235 HydrophobicContact CE2-CD1 4.32Å; F104-L235 HydrophobicContact CG-CB 4.25Å; F104-L235 HydrophobicContact CG-CD1 4.02Å; F104-M238 HydrophobicContact CD2-CE 3.92Å; F104-M238 HydrophobicContact CE2-CE 3.15Å; F104-M238 HydrophobicContact CE2-SD 3.42Å; F104-M238 WeakPolarHBondContact CE2-SD 3.37Å; F104-M238 HydrophobicContact CZ-CE 3.56Å; F104-M238 HydrophobicContact CZ-SD 3.68Å
105H88.1Confident88.6Confident55 Ų5550.9 Ų50.926%0.25526%0.264SS..EExtended strand (participates in β ladder)trans-62.2127.8168.2-174.9-73.7000108.5D107 D153 Y155 S229H105-D107 IonicContact CE1-OD1 3.17Å; H105-D107 IonicContact CE1-OD2 3.47Å; H105-D153 IonicContact CD2-OD1 2.73Å; H105-D153 IonicContact CE1-OD1 2.82Å; H105-D153 IonicContact NE2-OD1 3.6Å; H105-D153 PolarHBondContact NE2-OD1 2.94Å; H105-Y155 HydrophobicContact CB-CE1 4.47Å; H105-S229 WeakPolarHBondContact O-CB 3.43Å; H105-S229 PolarHBondContact O-OG 2.93Å
106A87.9Confident88.4Confident0 Ų055.1 Ų55.10%029%0.286CS..  trans-152.5110.6-169.100000111F104 G154 L156 F165 F227 L228F104-A106 PolarHBondContact O-N 2.81Å; A106-G154 PolarHBondContact N-O 3.39Å; A106-G154 CarbonylContact O-C 3.44Å; A106-G154 VanDerWaalsContact O-C 3.3Å; A106-G154 VanDerWaalsContact O-CA 3.27Å; A106-G154 WeakPolarHBondContact O-CA 3.05Å; A106-L156 HydrophobicContact CB-CB 4.02Å; A106-L156 HydrophobicContact CB-CD1 3.59Å; A106-L156 HydrophobicContact CB-CG 3.56Å; A106-F165 WeakPolarHBondContact O-CE2 3.3Å; A106-F227 HydrophobicContact CB-CB 4.4Å; A106-F227 HydrophobicContact CB-CD1 4.18Å; A106-L228 WeakPolarHBondContact CA-O 3.34Å
107D85.8Confident88.3Confident23 Ų2349.9 Ų49.912%0.12326%0.263CS..EExtended strand (participates in β ladder)trans-98.5108.9-178.8-88.5-5.4000111.6H105 I109 R124 G154 F227 L228H105-D107 IonicContact CE1-OD1 3.17Å; H105-D107 IonicContact CE1-OD2 3.47Å; D107-I109 WeakPolarHBondContact O-CG1 3.44Å; D107-I109 PolarHBondContact O-N 2.86Å; D107-I109 VanDerWaalsContact O-N 3.16Å; D107-R124 IonicContact OD1-CZ 2.68Å; D107-R124 IonicContact OD1-NH1 3.57Å; D107-R124 PolarHBondContact OD1-NH1 2.85Å; D107-R124 IonicContact OD1-NH2 2.76Å; D107-R124 PolarHBondContact OD1-NH2 2.77Å; D107-R124 IonicContact OD2-CZ 2.85Å; D107-R124 IonicContact OD2-NH1 3.88Å; D107-R124 PolarHBondContact OD2-NH1 2.96Å; D107-G154 PolarHBondContact OD1-N 3.05Å; D107-F227 CarbonylContact O-C 3.57Å; D107-F227 WeakPolarHBondContact O-CA 3.19Å; D107-L228 HydrophobicContact CB-CB 4.16Å; D107-L228 PolarHBondContact N-O 2.95Å; D107-L228 PolarHBondContact O-N 3.19Å
108L89.2Confident88.3Confident2 Ų250.1 Ų50.11%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-64114.3178.1-176.778.4000111.2V110 A111 L117 Y120 A121 F165 H225 F227L108-V110 WeakPolarHBondContact CD1-O 3.22Å; L108-A111 HydrophobicContact CD2-CB 4.22Å; L108-L117 HydrophobicContact CD2-CB 3.72Å; L108-L117 HydrophobicContact CD2-CD1 4.4Å; L108-L117 HydrophobicContact CD2-CG 4.49Å; L108-Y120 HydrophobicContact CB-CD1 4.14Å; L108-Y120 HydrophobicContact CB-CE1 4.37Å; L108-Y120 HydrophobicContact CD2-CD1 3.99Å; L108-A121 HydrophobicContact CD2-CB 3.88Å; L108-A121 HydrophobicContact CG-CB 4.19Å; L108-F165 HydrophobicContact CB-CE1 3.97Å; L108-F165 HydrophobicContact CB-CZ 3.88Å; L108-F165 HydrophobicContact CD2-CE1 4.32Å; L108-H225 HydrophobicContact CD1-CB 4.12Å; L108-F227 HydrophobicContact CB-CD1 4.01Å; L108-F227 HydrophobicContact CB-CE1 4Å; L108-F227 HydrophobicContact CD1-CD1 3.94Å; L108-F227 HydrophobicContact CD1-CD2 4.48Å; L108-F227 HydrophobicContact CD1-CE1 3.56Å; L108-F227 HydrophobicContact CD1-CE2 4.14Å; L108-F227 HydrophobicContact CD1-CG 4.39Å; L108-F227 HydrophobicContact CD1-CZ 3.67Å; L108-F227 HydrophobicContact CG-CE1 4.37Å
109I86.1Confident88Confident32 Ų3251.8 Ų51.816%0.16426%0.263CS..EExtended strand (participates in β ladder)trans-94.2-44.6178.7-40.3176.3000111D107 L129 L209 L226 L228D107-I109 WeakPolarHBondContact O-CG1 3.44Å; D107-I109 PolarHBondContact O-N 2.86Å; D107-I109 VanDerWaalsContact O-N 3.16Å; I109-L129 HydrophobicContact CD1-CD1 4.35Å; I109-L129 HydrophobicContact CG2-CD1 3.81Å; I109-L209 HydrophobicContact CD1-CD2 3.52Å; I109-L226 HydrophobicContact CD1-CD2 4.36Å; I109-L226 HydrophobicContact CD1-CG 4.48Å; I109-L226 PolarHBondContact N-O 3.46Å; I109-L228 HydrophobicContact CD1-CB 3.9Å; I109-L228 HydrophobicContact CD1-CD1 4.06Å; I109-L228 HydrophobicContact CG1-CB 4.13Å
110V86.3Confident87.7Confident60 Ų6053.5 Ų53.536%0.36427%0.269SS..EExtended strand (participates in β ladder)trans-132.1136.5-172.9-173.10000110.1L108 H225 L226L108-V110 WeakPolarHBondContact CD1-O 3.22Å; V110-H225 WeakPolarHBondContact O-CA 3.48Å; V110-L226 HydrophobicContact CB-CB 3.8Å; V110-L226 HydrophobicContact CG2-CB 4.07Å; V110-L226 HydrophobicContact CG2-CD2 4.07Å; V110-L226 PolarHBondContact N-O 3.23Å; V110-L226 PolarHBondContact O-N 3.1Å
111A89.6Confident87.6Confident9 Ų945.1 Ų45.17%0.07424%0.235CC..  trans-144.2154.1166.900000108.8L108 L117 Y118 A121L108-A111 HydrophobicContact CD2-CB 4.22Å; A111-L117 HydrophobicContact CB-CB 3.89Å; A111-Y118 WeakPolarHBondContact O-CD2 3.41Å; A111-A121 HydrophobicContact CB-CB 4.28Å
112P88.2Confident87.1Confident33 Ų3353.2 Ų53.221%0.21426%0.262CS..  trans-83.2153.1-178.335.1-34.4000111N114 S115 Y118 P222 S224P112-N114 WeakPolarHBondContact CB-OD1 3.48Å; P112-N114 WeakPolarHBondContact CG-OD1 3.48Å; P112-N114 PolarHBondContact O-N 2.99Å; P112-S115 WeakPolarHBondContact O-CB 3.41Å; P112-S115 PolarHBondContact O-N 2.93Å; P112-Y118 WeakPolarHBondContact O-CB 3.33Å; P112-P222 WeakPolarHBondContact CG-O 3.44Å; P112-S224 WeakPolarHBondContact CD-O 3.26Å
113K87.4Confident86Confident149 Ų14958.3 Ų58.365%0.64828%0.279SS*.THydrogen-bonded Turntrans-59.8-18.7-170-69.5177.1-178.9171.30115.6Y118K113-Y118 HydrophobicContact CG-CD2 4.15Å; K113-Y118 HydrophobicContact CG-CE1 4.17Å; K113-Y118 HydrophobicContact CG-CE2 3.77Å
114N86.3Confident84.6Confident108 Ų10855.8 Ų55.858%0.57827%0.269SS*.THydrogen-bonded Turntrans-88.5-12.4176.158.1-34000113.8P112 P222P112-N114 WeakPolarHBondContact CB-OD1 3.48Å; P112-N114 WeakPolarHBondContact CG-OD1 3.48Å; P112-N114 PolarHBondContact O-N 2.99Å; N114-P222 WeakPolarHBondContact ND2-CG 3.19Å
115S88.6Confident82.7Confident4 Ų467 Ų673%0.02831%0.311CS..SBendtrans-84138.5175173.80000111.3P112 L117 Y118 A221P112-S115 WeakPolarHBondContact O-CB 3.41Å; P112-S115 PolarHBondContact O-N 2.93Å; S115-L117 PolarHBondContact O-N 3.48Å; S115-L117 VanDerWaalsContact O-N 3.13Å; S115-L117 WeakPolarHBondContact OG-CB 3.29Å; S115-L117 PolarHBondContact OG-N 2.8Å; S115-Y118 VanDerWaalsContact O-CB 3.25Å; S115-Y118 WeakPolarHBondContact O-CB 3.43Å; S115-Y118 PolarHBondContact O-N 3.03Å; S115-A221 WeakPolarHBondContact OG-CA 3.38Å; S115-A221 WeakPolarHBondContact OG-CB 3.22Å
116I88.1Confident80.6Confident89 Ų8975.8 Ų75.846%0.45634%0.342SS..THydrogen-bonded Turntrans-58.6-27.2174.266.6-179.6000111.6Y118 S119 L177 E220I116-Y118 PolarHBondContact O-N 3.27Å; I116-S119 PolarHBondContact O-N 3.18Å; I116-S119 PolarHBondContact O-OG 2.88Å; I116-L177 WeakPolarHBondContact CD1-O 3.36Å; I116-E220 HydrophobicContact CD1-CB 3.83Å; I116-E220 HydrophobicContact CD1-CG 4.33Å; I116-E220 HydrophobicContact CG1-CB 4.44Å; I116-E220 WeakPolarHBondContact CG1-O 3.23Å; I116-E220 PolarHBondContact N-O 3.15Å; I116-E220 VanDerWaalsContact N-O 3.08Å
117L90.2Very high78.3Confident3 Ų378.9 Ų78.92%0.01636%0.356CS..Hα-helixtrans-67.6-16.2176.3-59.6-177.1000113.9L108 A111 S115 S119 Y120 A121 F165 L177 A178 W180 A221L108-L117 HydrophobicContact CD2-CB 3.72Å; L108-L117 HydrophobicContact CD2-CD1 4.4Å; L108-L117 HydrophobicContact CD2-CG 4.49Å; A111-L117 HydrophobicContact CB-CB 3.89Å; S115-L117 PolarHBondContact O-N 3.48Å; S115-L117 VanDerWaalsContact O-N 3.13Å; S115-L117 WeakPolarHBondContact OG-CB 3.29Å; S115-L117 PolarHBondContact OG-N 2.8Å; L117-S119 PolarHBondContact O-N 3.2Å; L117-Y120 PolarHBondContact O-N 2.8Å; L117-A121 PolarHBondContact O-N 3.03Å; L117-F165 HydrophobicContact CD1-CD1 4.41Å; L117-F165 HydrophobicContact CD2-CD1 4.04Å; L117-F165 HydrophobicContact CD2-CE1 4.48Å; L117-L177 HydrophobicContact CD2-CB 3.75Å; L117-L177 WeakPolarHBondContact CD2-O 3.47Å; L117-A178 HydrophobicContact CD1-CB 3.86Å; L117-A178 HydrophobicContact CD2-CB 4.14Å; L117-A178 HydrophobicContact CG-CB 4.2Å; L117-W180 HydrophobicContact CD1-CH2 3.78Å; L117-W180 HydrophobicContact CD1-CZ2 3.74Å; L117-A221 HydrophobicContact CD1-CB 3.76Å; L117-A221 HydrophobicContact CG-CB 4.01Å
118Y88Confident75.9Confident82 Ų8282 Ų8232%0.32238%0.378SS..Hα-helixtrans-56.8-34.9172-178.4-109.9000112A111 P112 K113 S115 I116 R122A111-Y118 WeakPolarHBondContact O-CD2 3.41Å; P112-Y118 WeakPolarHBondContact O-CB 3.33Å; K113-Y118 HydrophobicContact CG-CD2 4.15Å; K113-Y118 HydrophobicContact CG-CE1 4.17Å; K113-Y118 HydrophobicContact CG-CE2 3.77Å; S115-Y118 VanDerWaalsContact O-CB 3.25Å; S115-Y118 WeakPolarHBondContact O-CB 3.43Å; S115-Y118 PolarHBondContact O-N 3.03Å; I116-Y118 PolarHBondContact O-N 3.27Å; Y118-R122 WeakPolarHBondContact O-CB 3.33Å; Y118-R122 PolarHBondContact O-N 3.03Å
119S83.9Confident73.7Confident67 Ų6785.8 Ų85.847%0.46940%0.397SS..Hα-helixtrans-62.3-48.9173.4680000111.1I116 L117 R122 H123I116-S119 PolarHBondContact O-N 3.18Å; I116-S119 PolarHBondContact O-OG 2.88Å; L117-S119 PolarHBondContact O-N 3.2Å; S119-R122 PolarHBondContact O-N 3.12Å; S119-H123 PolarHBondContact O-N 3.1Å; S119-H123 PolarHBondContact O-ND1 3.22Å
120Y83Confident71.2Confident43 Ų4390.4 Ų90.417%0.16942%0.421CS..Hα-helixtrans-63.4-48.5-178.8-168.9-93.1000112L108 L117 R122 H123 R124 F165 T167 L177L108-Y120 HydrophobicContact CB-CD1 4.14Å; L108-Y120 HydrophobicContact CB-CE1 4.37Å; L108-Y120 HydrophobicContact CD2-CD1 3.99Å; L117-Y120 PolarHBondContact O-N 2.8Å; Y120-R122 VanDerWaalsContact C-N 3.3Å; Y120-R122 PolarHBondContact O-N 3.36Å; Y120-H123 PolarHBondContact O-N 3.31Å; Y120-R124 VanDerWaalsContact CE1-NE 3.35Å; Y120-R124 PolarHBondContact OH-NH2 2.88Å; Y120-F165 HydrophobicContact CD1-CE1 4.02Å; Y120-F165 HydrophobicContact CD1-CZ 4.38Å; Y120-F165 AromaticContact CE1-CE1 3.88Å; Y120-F165 HydrophobicContact CE1-CE1 3.88Å; Y120-F165 AromaticContact CE1-CZ 3.82Å; Y120-F165 HydrophobicContact CE1-CZ 3.82Å; Y120-T167 HydrophobicContact CE2-CG2 4.36Å; Y120-L177 HydrophobicContact CD1-CD1 4.46Å; Y120-L177 HydrophobicContact CD2-CD1 3.83Å; Y120-L177 HydrophobicContact CD2-CD2 4.28Å; Y120-L177 HydrophobicContact CE1-CD1 4.22Å; Y120-L177 HydrophobicContact CE2-CD1 3.56Å; Y120-L177 HydrophobicContact CE2-CD2 4.45Å; Y120-L177 HydrophobicContact CG-CD1 4.28Å
121A84Confident68.5Low14 Ų1494.7 Ų94.712%0.11644%0.437CS..Hα-helixtrans-58.5-39.4175.900000112.3L108 A111 L117L108-A121 HydrophobicContact CD2-CB 3.88Å; L108-A121 HydrophobicContact CG-CB 4.19Å; A111-A121 HydrophobicContact CB-CB 4.28Å; L117-A121 PolarHBondContact O-N 3.03Å
122R77.9Confident65.7Low192 Ų19296.7 Ų96.773%0.72546%0.458SS*.Hα-helixtrans-70.7-28.1-179.2-178.3176.8176.3-165.1-1.5114.2Y118 S119 Y120Y118-R122 WeakPolarHBondContact O-CB 3.33Å; Y118-R122 PolarHBondContact O-N 3.03Å; S119-R122 PolarHBondContact O-N 3.12Å; Y120-R122 VanDerWaalsContact C-N 3.3Å; Y120-R122 PolarHBondContact O-N 3.36Å
123H66.6Low62.9Low165 Ų165101.3 Ų101.376%0.76449%0.488SS*.Hα-helixtrans-79.5-24.6-178.5-76.689.6000113.2S119 Y120S119-H123 PolarHBondContact O-N 3.1Å; S119-H123 PolarHBondContact O-ND1 3.22Å; Y120-H123 PolarHBondContact O-N 3.31Å
124R61.4Low60.2Low34 Ų34100.5 Ų100.513%0.12849%0.485CS..SBendtrans-68.4136.1172.3-71.8171.9169.1-103.716.7109.3D107 Y120 R126 S152D107-R124 IonicContact OD1-CZ 2.68Å; D107-R124 IonicContact OD1-NH1 3.57Å; D107-R124 PolarHBondContact OD1-NH1 2.85Å; D107-R124 IonicContact OD1-NH2 2.76Å; D107-R124 PolarHBondContact OD1-NH2 2.77Å; D107-R124 IonicContact OD2-CZ 2.85Å; D107-R124 IonicContact OD2-NH1 3.88Å; D107-R124 PolarHBondContact OD2-NH1 2.96Å; Y120-R124 VanDerWaalsContact CE1-NE 3.35Å; Y120-R124 PolarHBondContact OH-NH2 2.88Å; R124-R126 PolarHBondContact O-N 2.99Å; R124-S152 PolarHBondContact NH1-O 3.01Å; R124-S152 PolarHBondContact NH1-OG 3.36Å; R124-S152 PolarHBondContact NH2-O 2.98Å
125R49.7Very low57.5Low243 Ų243103.2 Ų103.292%0.91750%0.499SS*.  trans-56.7129.2175.5-71.8-178.2177.1177.7-0.3108.2F127R125-F127 PolarHBondContact O-N 3.45Å
126R44.7Very low55Low239 Ų239109.5 Ų109.590%0.90253%0.528SS*.  trans-51.8115.7-179.8-69.8176.7175.7168.3-4109.6R124R124-R126 PolarHBondContact O-N 2.99Å
127F40.4Very low52.2Low65 Ų65113.7 Ų113.729%0.28555%0.55SS..  trans-54.6129163.2-85.4-89000108.1R125 L129 L147 L228R125-F127 PolarHBondContact O-N 3.45Å; F127-L129 HydrophobicContact CB-CD1 4.25Å; F127-L129 HydrophobicContact CB-CG 4.09Å; F127-L129 PolarHBondContact O-N 3.15Å; F127-L147 HydrophobicContact CE1-CD1 4.06Å; F127-L147 HydrophobicContact CE1-CD2 4.31Å; F127-L228 HydrophobicContact CE1-CD2 3.91Å; F127-L228 HydrophobicContact CE2-CD2 4.3Å; F127-L228 HydrophobicContact CZ-CD2 3.65Å
128P35.1Very low49.3Very low90 Ų90119.4 Ų119.458%0.58458%0.575SS**  trans-75.560.7172.332.6-34.7000109.7I130 Q131P128-I130 PolarHBondContact O-N 2.9Å; P128-Q131 HydrophobicContact CB-CG 4.11Å
129L43.2Very low46.5Very low80 Ų80119 Ų11942%0.41958%0.584SS.*SBendtrans-58-20.9-176.3-96.8160000113.5I109 F127 V195I109-L129 HydrophobicContact CD1-CD1 4.35Å; I109-L129 HydrophobicContact CG2-CD1 3.81Å; F127-L129 HydrophobicContact CB-CD1 4.25Å; F127-L129 HydrophobicContact CB-CG 4.09Å; F127-L129 PolarHBondContact O-N 3.15Å; L129-V195 HydrophobicContact CD2-CG1 4.5Å; L129-V195 HydrophobicContact CD2-CG2 4.13Å
130I32.4Very low44.1Very low129 Ų129119.5 Ų119.566%0.66259%0.588SS**  trans-139.297168-49.3176.7000108.3P128 L423P128-I130 PolarHBondContact O-N 2.9Å; I130-L423 HydrophobicContact CD1-CD1 4.34Å
131Q30.2Very low41.6Very low151 Ų151128.4 Ų128.471%0.70662%0.621SS**  trans-103.7122.6150.9-83.6-172.6-1.900107.9P128P128-Q131 HydrophobicContact CB-CG 4.11Å
132G29.9Very low39Very low50 Ų50135.5 Ų135.552%0.51565%0.649SS.*  trans-67170.317600000112.6K134G132-K134 PolarHBondContact O-N 3.31Å
133P29.7Very low36.9Very low131 Ų131130.7 Ų130.785%0.85164%0.637SS**  trans-65.495.3-172.127-35.3000112.4
134K31.7Very low35.2Very low131 Ų131129.3 Ų129.357%0.5763%0.626SS**  trans-126.868.6170.4-79.1-165.5172.3-171.60111.1G132 Q136 Y437G132-K134 PolarHBondContact O-N 3.31Å; K134-Q136 VanDerWaalsContact C-N 3.33Å; K134-Q136 PolarHBondContact O-N 2.81Å; K134-Y437 PolarHBondContact NZ-OH 2.84Å
135N29.5Very low33.6Very low166 Ų166132.1 Ų132.189%0.88865%0.649SS**  trans31.852.5157-63.13.3000117.3
136Q35.1Very low32.6Very low135 Ų135125.2 Ų125.263%0.63163%0.634SS**  trans-112.7116.1163.2-70.5-167.2-700108.7K134 F138K134-Q136 VanDerWaalsContact C-N 3.33Å; K134-Q136 PolarHBondContact O-N 2.81Å; Q136-F138 HydrophobicContact CB-CD2 3.79Å; Q136-F138 HydrophobicContact CB-CE2 3.58Å; Q136-F138 HydrophobicContact CB-CZ 4.43Å; Q136-F138 HydrophobicContact CG-CE2 4.43Å; Q136-F138 PolarHBondContact O-N 3.23Å; Q136-F138 VanDerWaalsContact OE1-CZ 3.26Å
137I28.9Very low32Very low177 Ų177119.5 Ų119.591%0.90862%0.621SS**  trans-76.972.1179.6-53.7174.9000108.1S139I137-S139 PolarHBondContact O-N 3.24Å; I137-S139 VanDerWaalsContact O-N 3.09Å
138F30.9Very low31.6Very low123 Ų123120.4 Ų120.454%0.53963%0.634SS.*  trans-69.4105.2171.3-79.4-72.8000109Q136 S140 L143Q136-F138 HydrophobicContact CB-CD2 3.79Å; Q136-F138 HydrophobicContact CB-CE2 3.58Å; Q136-F138 HydrophobicContact CB-CZ 4.43Å; Q136-F138 HydrophobicContact CG-CE2 4.43Å; Q136-F138 PolarHBondContact O-N 3.23Å; Q136-F138 VanDerWaalsContact OE1-CZ 3.26Å; F138-S140 PolarHBondContact O-N 3.49Å; F138-S140 VanDerWaalsContact O-N 3.08Å; F138-L143 HydrophobicContact CB-CD1 4.03Å; F138-L143 HydrophobicContact CD1-CD2 4.18Å
139S28.1Very low31.3Very low73 Ų73121.9 Ų121.951%0.5164%0.637SS.*  trans-55.4115.9176-174.80000110I137 R141 K142I137-S139 PolarHBondContact O-N 3.24Å; I137-S139 VanDerWaalsContact O-N 3.09Å; S139-R141 PolarHBondContact O-N 3.39Å; S139-K142 PolarHBondContact O-N 2.94Å
140S34Very low30.8Very low79 Ų79123.2 Ų123.255%0.55265%0.645SS**THydrogen-bonded Turntrans-60.6-12-170.847.20000114.5F138F138-S140 PolarHBondContact O-N 3.49Å; F138-S140 VanDerWaalsContact O-N 3.08Å
141R30.4Very low31.3Very low230 Ų230122.1 Ų122.187%0.86865%0.649SS**THydrogen-bonded Turntrans-88.9-1.8175.9-58.2-171.7-176-164.81.6114.9S139S139-R141 PolarHBondContact O-N 3.39Å
142K29.7Very low32.4Very low162 Ų162117.3 Ų117.370%0.70463%0.631SS**SBendtrans-118.9-1-174.1-75.7-167.9174.1-1750116.8S139S139-K142 PolarHBondContact O-N 2.94Å
143L33.4Very low34Very low91 Ų91117 Ų11748%0.47662%0.618SS.*SBendtrans-86.2-12.6-176.7-79.3172.2000115.7F138F138-L143 HydrophobicContact CB-CD1 4.03Å; F138-L143 HydrophobicContact CD1-CD2 4.18Å
144Y31Very low36.7Very low136 Ų136110.8 Ų110.853%0.53358%0.578SS.*SBendtrans-100.4-34.4-172.5-78.7-79000116.9P207Y144-P207 WeakPolarHBondContact OH-CD 3.34Å
145P26.9Very low39.6Very low93 Ų93106 Ų10660%0.60456%0.556SS**G310 helixtrans-74.4-30.6-177.4-20.433.6000114.9L147P145-L147 PolarHBondContact O-N 2.9Å
146T28.8Very low42.6Very low99 Ų9998.1 Ų98.161%0.60751%0.514SS*.G310 helixtrans-90.52.8-159.740.70000115.8
147L33.2Very low45.4Very low119 Ų11991.7 Ų91.762%0.62348%0.484SS*.G310 helixtrans-86.2-15.6178.8-84.9158.4000114.1F127 P145 N149F127-L147 HydrophobicContact CE1-CD1 4.06Å; F127-L147 HydrophobicContact CE1-CD2 4.31Å; P145-L147 PolarHBondContact O-N 2.9Å; L147-N149 PolarHBondContact O-N 3.16Å; L147-N149 VanDerWaalsContact O-N 3.09Å
148C30.7Very low48.4Very low84 Ų8483.3 Ų83.357%0.56844%0.441SS*.  trans-81.322.8-174.7-55.50000114.6N150C148-N150 PolarHBondContact O-N 2.78Å
149N29.1Very low51.1Low120 Ų12077.6 Ų77.664%0.64242%0.416SS*.  trans-79.889.5-173.1-92.2-16.3000113.5L147 S151L147-N149 PolarHBondContact O-N 3.16Å; L147-N149 VanDerWaalsContact O-N 3.09Å; N149-S151 PolarHBondContact O-N 3.24Å; N149-S151 VanDerWaalsContact O-N 3.15Å
150N34Very low53.7Low109 Ų10981.5 Ų81.558%0.58342%0.42SS*.SBendtrans66.417.3138.6-61.7-22000120C148C148-N150 PolarHBondContact O-N 2.78Å
151S41.6Very low56.1Low106 Ų10678.4 Ų78.474%0.74140%0.397SS*.SBendtrans-150.4-16.8175.959.90000118.8N149N149-S151 PolarHBondContact O-N 3.24Å; N149-S151 VanDerWaalsContact O-N 3.15Å
152S53Low58.9Low49 Ų4969.2 Ų69.234%0.34336%0.362SS..  trans-149.468.7-172.167.70000114.5R124R124-S152 PolarHBondContact NH1-O 3.01Å; R124-S152 PolarHBondContact NH1-OG 3.36Å; R124-S152 PolarHBondContact NH2-O 2.98Å
153D64.7Low61.9Low45 Ų4561.5 Ų61.524%0.24133%0.329CS..  trans-90131.1164.4-57.6-58.4000110.6H105 Y155 G168H105-D153 IonicContact CD2-OD1 2.73Å; H105-D153 IonicContact CE1-OD1 2.82Å; H105-D153 IonicContact NE2-OD1 3.6Å; H105-D153 PolarHBondContact NE2-OD1 2.94Å; D153-Y155 HydrophobicContact CB-CD2 4.44Å; D153-Y155 HydrophobicContact CB-CE2 3.74Å; D153-G168 PolarHBondContact O-N 2.95Å
154G86.5Confident64.7Low0 Ų057.2 Ų57.20%031%0.307CS..EExtended strand (participates in β ladder)trans-102149.8167.400000110.7A106 D107 T166A106-G154 PolarHBondContact N-O 3.39Å; A106-G154 CarbonylContact O-C 3.44Å; A106-G154 VanDerWaalsContact O-C 3.3Å; A106-G154 VanDerWaalsContact O-CA 3.27Å; A106-G154 WeakPolarHBondContact O-CA 3.05Å; D107-G154 PolarHBondContact OD1-N 3.05Å; G154-T166 CarbonylContact C-O 3.58Å; G154-T166 WeakPolarHBondContact CA-O 3.45Å
155Y91.7Very high67.7Low30 Ų3050.8 Ų50.812%0.11828%0.281CS..EExtended strand (participates in β ladder)trans-131126.2176.3-73.4-98.6000110.4I58 Y103 F104 H105 D153 F165 T166 G168I58-Y155 HydrophobicContact CD1-CD1 3.41Å; I58-Y155 VanDerWaalsContact CD1-CD1 3.41Å; I58-Y155 HydrophobicContact CD1-CE1 3.47Å; I58-Y155 VanDerWaalsContact CD1-CE1 3.47Å; I58-Y155 HydrophobicContact CD1-CG 4Å; Y103-Y155 HydrophobicContact CD2-CD1 4.08Å; Y103-Y155 HydrophobicContact CD2-CE1 4.22Å; F104-Y155 CarbonylContact O-C 3.6Å; F104-Y155 VanDerWaalsContact O-CA 3.29Å; F104-Y155 WeakPolarHBondContact O-CA 3.49Å; H105-Y155 HydrophobicContact CB-CE1 4.47Å; D153-Y155 HydrophobicContact CB-CD2 4.44Å; D153-Y155 HydrophobicContact CB-CE2 3.74Å; Y155-F165 WeakPolarHBondContact O-CA 3.48Å; Y155-F165 WeakPolarHBondContact O-CD2 3.25Å; Y155-T166 PolarHBondContact N-O 2.8Å; Y155-T166 PolarHBondContact O-N 3.08Å; Y155-G168 VanDerWaalsContact CD2-CA 3.41Å; Y155-G168 VanDerWaalsContact CE2-CA 3.47Å
156L93.2Very high70.9Confident0 Ų046.3 Ų46.30%025%0.252CS..EExtended strand (participates in β ladder)trans-91.5120.1166.2-75.5171.3000108.4Y103 F104 A106 I163 F165 W180 F210 F227 L235Y103-L156 CarbonylContact C-O 3.53Å; Y103-L156 WeakPolarHBondContact CA-O 3.46Å; F104-L156 PolarHBondContact N-O 2.77Å; F104-L156 PolarHBondContact O-N 3.32Å; A106-L156 HydrophobicContact CB-CB 4.02Å; A106-L156 HydrophobicContact CB-CD1 3.59Å; A106-L156 HydrophobicContact CB-CG 3.56Å; L156-I163 HydrophobicContact CD2-CG2 3.86Å; L156-F165 HydrophobicContact CD2-CB 3.96Å; L156-F165 HydrophobicContact CD2-CD2 3.81Å; L156-F165 HydrophobicContact CD2-CG 4.23Å; L156-F165 HydrophobicContact CG-CD2 4.09Å; L156-W180 HydrophobicContact CD2-CZ3 4.35Å; L156-F210 HydrophobicContact CD1-CD1 3.7Å; L156-F210 HydrophobicContact CD1-CE1 3.96Å; L156-F227 HydrophobicContact CD1-CB 4.41Å; L156-F227 HydrophobicContact CD1-CD1 4.01Å; L156-F227 HydrophobicContact CD1-CD2 4.13Å; L156-F227 HydrophobicContact CD1-CE1 4.25Å; L156-F227 HydrophobicContact CD1-CE2 4.37Å; L156-F227 HydrophobicContact CD1-CG 3.94Å; L156-F227 HydrophobicContact CD1-CZ 4.43Å; L156-F227 HydrophobicContact CD2-CE1 3.99Å; L156-F227 HydrophobicContact CD2-CZ 3.98Å; L156-F227 HydrophobicContact CG-CD1 4.33Å; L156-F227 HydrophobicContact CG-CE1 4.26Å; L156-L235 HydrophobicContact CD1-CD2 3.82Å
157H93.3Very high73.6Confident0 Ų042.2 Ų42.20%023%0.227CC..EExtended strand (participates in β ladder)trans-102.2124.6173.4-54.9-112.1000107.9A56 S102 I163 C164 T166A56-H157 HydrophobicContact CB-CB 3.87Å; S102-H157 CarbonylContact O-C 3.53Å; S102-H157 WeakPolarHBondContact O-CA 3.48Å; H157-I163 CarbonylContact O-C 3.48Å; H157-I163 WeakPolarHBondContact O-CA 3.37Å; H157-C164 HydrophobicContact CB-CB 4.3Å; H157-C164 PolarHBondContact N-O 3.36Å; H157-C164 PolarHBondContact O-N 3.23Å; H157-T166 PolarHBondContact NE2-OG1 3.41Å
158V91.4Very high75.7Confident2 Ų236.8 Ų36.81%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-107.9141.4172.4-177.50000108.7C101 S102 I163 L235 M238 I239C101-V158 CarbonylContact C-O 3.59Å; C101-V158 WeakPolarHBondContact CA-O 3.32Å; S102-V158 PolarHBondContact N-O 3.01Å; S102-V158 PolarHBondContact O-N 2.85Å; V158-I163 HydrophobicContact CG2-CG1 4.28Å; V158-I163 HydrophobicContact CG2-CG2 4.47Å; V158-L235 HydrophobicContact CG2-CD1 3.51Å; V158-M238 HydrophobicContact CB-CE 3.37Å; V158-M238 HydrophobicContact CB-SD 4.08Å; V158-M238 HydrophobicContact CG1-CE 3.82Å; V158-M238 HydrophobicContact CG1-SD 4.43Å; V158-M238 HydrophobicContact CG2-CE 3.43Å; V158-M238 VanDerWaalsContact CG2-CE 3.43Å; V158-I239 HydrophobicContact CG1-CG1 3.86Å; V158-I239 HydrophobicContact CG2-CD1 4.27Å; V158-I239 HydrophobicContact CG2-CG1 3.97Å
159T88.8Confident77.6Confident2 Ų233.4 Ų33.41%0.01218%0.177CC..EExtended strand (participates in β ladder)trans-142.3177.4-174.867.60000108H55 A56 C101 D161 R162 T242H55-T159 HydrophobicContact CB-CG2 4.38Å; H55-T159 WeakPolarHBondContact O-CG2 3.49Å; A56-T159 HydrophobicContact CB-CG2 3.84Å; C101-T159 HydrophobicContact CB-CG2 3.96Å; T159-D161 VanDerWaalsContact C-N 3.27Å; T159-D161 PolarHBondContact O-N 3.22Å; T159-D161 PolarHBondContact OG1-OD1 3.36Å; T159-R162 PolarHBondContact N-O 2.9Å; T159-R162 VanDerWaalsContact N-O 3.09Å; T159-R162 WeakPolarHBondContact OG1-CG 3.17Å; T159-R162 PolarHBondContact OG1-N 2.88Å; T159-R162 PolarHBondContact OG1-O 3.25Å; T159-T242 VanDerWaalsContact O-CG2 3.32Å; T159-T242 WeakPolarHBondContact O-CG2 3.37Å
160R82.8Confident79.4Confident155 Ų15530.2 Ų30.259%0.58517%0.173SC*.SBendtrans-63.5-25.7-177.1-169.5164.5-174.7175.73.8115.4N35 T242N35-R160 HydrophobicContact CB-CB 4.17Å; N35-R160 WeakPolarHBondContact OD1-CD 3.05Å; R160-T242 HydrophobicContact CB-CG2 4.4Å
161D84.2Confident81Confident14 Ų1427 Ų278%0.07516%0.158CC..SBendtrans-125.8-8.3-174.267.7-10.7000114.9T159 T181 F182T159-D161 VanDerWaalsContact C-N 3.27Å; T159-D161 PolarHBondContact O-N 3.22Å; T159-D161 PolarHBondContact OG1-OD1 3.36Å; D161-T181 CarbonylContact O-C 3.6Å; D161-T181 WeakPolarHBondContact O-CA 3.07Å; D161-F182 PolarHBondContact O-N 3.31Å
162R89.2Confident82.3Confident37 Ų3726 Ų2614%0.1415%0.151CC..EExtended strand (participates in β ladder)trans-155.3160.3-176.367.2-164.974.6-141.7-1.6115.4H55 T159 T179 W180 T181H55-R162 PolarHBondContact ND1-NE 3.05Å; T159-R162 PolarHBondContact N-O 2.9Å; T159-R162 VanDerWaalsContact N-O 3.09Å; T159-R162 WeakPolarHBondContact OG1-CG 3.17Å; T159-R162 PolarHBondContact OG1-N 2.88Å; T159-R162 PolarHBondContact OG1-O 3.25Å; R162-T179 HydrophobicContact CB-CG2 4.12Å; R162-T179 HydrophobicContact CG-CG2 4.34Å; R162-W180 CarbonylContact C-O 3.59Å; R162-W180 VanDerWaalsContact CA-O 3.26Å; R162-W180 WeakPolarHBondContact CA-O 3.13Å; R162-W180 WeakPolarHBondContact CB-O 3.19Å; R162-T181 HydrophobicContact CB-CG2 4.14Å
163I92.6Very high83.3Confident0 Ų029.1 Ų29.10%016%0.16CC..EExtended strand (participates in β ladder)trans-107.8127163.3-53.4-177000108.2L156 H157 V158 T179 W180 F182 I187 F210 L212 I239L156-I163 HydrophobicContact CD2-CG2 3.86Å; H157-I163 CarbonylContact O-C 3.48Å; H157-I163 WeakPolarHBondContact O-CA 3.37Å; V158-I163 HydrophobicContact CG2-CG1 4.28Å; V158-I163 HydrophobicContact CG2-CG2 4.47Å; I163-T179 CarbonylContact O-C 3.58Å; I163-T179 WeakPolarHBondContact O-CA 3.49Å; I163-W180 HydrophobicContact CB-CE3 4.31Å; I163-W180 HydrophobicContact CG2-CE3 4.24Å; I163-W180 HydrophobicContact CG2-CZ3 4.47Å; I163-W180 PolarHBondContact N-O 3.31Å; I163-W180 PolarHBondContact O-N 3.35Å; I163-F182 HydrophobicContact CD1-CE1 4.05Å; I163-F182 HydrophobicContact CD1-CZ 3.86Å; I163-F182 HydrophobicContact CG1-CE1 4.06Å; I163-F182 HydrophobicContact CG1-CE2 4.25Å; I163-F182 HydrophobicContact CG1-CZ 3.49Å; I163-F182 VanDerWaalsContact CG1-CZ 3.49Å; I163-I187 HydrophobicContact CD1-CD1 3.87Å; I163-I187 HydrophobicContact CG1-CD1 4.1Å; I163-F210 HydrophobicContact CD1-CZ 4.46Å; I163-L212 HydrophobicContact CD1-CD1 3.91Å; I163-L212 HydrophobicContact CG2-CD1 4.48Å; I163-I239 HydrophobicContact CD1-CD1 3.7Å; I163-I239 HydrophobicContact CD1-CG1 4.27Å
164C93Very high84Confident2 Ų228.1 Ų28.11%0.01416%0.156CC..EExtended strand (participates in β ladder)trans-116132.2176.2-63.20000110.2V72 H157 L176V72-C164 HydrophobicContact CG1-CB 3.88Å; H157-C164 HydrophobicContact CB-CB 4.3Å; H157-C164 PolarHBondContact N-O 3.36Å; H157-C164 PolarHBondContact O-N 3.23Å; C164-L176 HydrophobicContact CB-CD1 3.95Å
165F93.8Very high84Confident0 Ų035.4 Ų35.40%018%0.183CC..EExtended strand (participates in β ladder)trans-103125.5173.1-174.8-129.8000110.8A106 L108 L117 Y120 Y155 L156 L177 A178 W180 F227A106-F165 WeakPolarHBondContact O-CE2 3.3Å; L108-F165 HydrophobicContact CB-CE1 3.97Å; L108-F165 HydrophobicContact CB-CZ 3.88Å; L108-F165 HydrophobicContact CD2-CE1 4.32Å; L117-F165 HydrophobicContact CD1-CD1 4.41Å; L117-F165 HydrophobicContact CD2-CD1 4.04Å; L117-F165 HydrophobicContact CD2-CE1 4.48Å; Y120-F165 HydrophobicContact CD1-CE1 4.02Å; Y120-F165 HydrophobicContact CD1-CZ 4.38Å; Y120-F165 AromaticContact CE1-CE1 3.88Å; Y120-F165 HydrophobicContact CE1-CE1 3.88Å; Y120-F165 AromaticContact CE1-CZ 3.82Å; Y120-F165 HydrophobicContact CE1-CZ 3.82Å; Y155-F165 WeakPolarHBondContact O-CA 3.48Å; Y155-F165 WeakPolarHBondContact O-CD2 3.25Å; L156-F165 HydrophobicContact CD2-CB 3.96Å; L156-F165 HydrophobicContact CD2-CD2 3.81Å; L156-F165 HydrophobicContact CD2-CG 4.23Å; L156-F165 HydrophobicContact CG-CD2 4.09Å; F165-L177 HydrophobicContact CD1-CB 3.76Å; F165-L177 HydrophobicContact CD1-CD1 3.75Å; F165-L177 HydrophobicContact CD1-CG 4.38Å; F165-L177 HydrophobicContact CE1-CB 4.34Å; F165-L177 HydrophobicContact CE1-CD1 3.53Å; F165-L177 HydrophobicContact CG-CB 4.49Å; F165-L177 HydrophobicContact CZ-CD1 4.18Å; F165-L177 WeakPolarHBondContact O-CB 3.49Å; F165-L177 PolarHBondContact O-N 2.92Å; F165-A178 PolarHBondContact N-O 3.1Å; F165-A178 PolarHBondContact O-N 3.36Å; F165-W180 HydrophobicContact CB-CH2 4.18Å; F165-W180 HydrophobicContact CB-CZ3 3.95Å; F165-F227 HydrophobicContact CD1-CE1 4.15Å; F165-F227 HydrophobicContact CD2-CD1 4.46Å; F165-F227 AromaticContact CD2-CE1 3.75Å; F165-F227 HydrophobicContact CD2-CE1 3.75Å; F165-F227 HydrophobicContact CE1-CE1 4.14Å; F165-F227 HydrophobicContact CE2-CD1 4.13Å; F165-F227 AromaticContact CE2-CE1 3.74Å; F165-F227 HydrophobicContact CE2-CE1 3.74Å; F165-F227 AromaticContact CG-CE1 3.98Å; F165-F227 HydrophobicContact CG-CE1 3.98Å; F165-F227 HydrophobicContact CZ-CD1 4.41Å; F165-F227 AromaticContact CZ-CE1 3.95Å; F165-F227 HydrophobicContact CZ-CE1 3.95Å
166T92.3Very high84Confident0 Ų035.5 Ų35.50%019%0.186CC..EExtended strand (participates in β ladder)trans-127.9159.9-179.277.20000112.4V72 L77 G154 Y155 H157 R175 L176V72-T166 HydrophobicContact CG1-CG2 4.3Å; V72-T166 HydrophobicContact CG2-CG2 4.17Å; L77-T166 HydrophobicContact CD1-CG2 4.14Å; L77-T166 HydrophobicContact CD2-CG2 3.8Å; G154-T166 CarbonylContact C-O 3.58Å; G154-T166 WeakPolarHBondContact CA-O 3.45Å; Y155-T166 PolarHBondContact N-O 2.8Å; Y155-T166 PolarHBondContact O-N 3.08Å; H157-T166 PolarHBondContact NE2-OG1 3.41Å; T166-R175 WeakPolarHBondContact CA-O 3.14Å; T166-L176 HydrophobicContact CG2-CD1 4.03Å
167T86.8Confident83.9Confident12 Ų1236.7 Ų36.77%0.07419%0.192CC..EExtended strand (participates in β ladder)trans-66.7154.9155.657.60000110.5Y120 P174 R175 L177Y120-T167 HydrophobicContact CE2-CG2 4.36Å; T167-P174 VanDerWaalsContact OG1-CA 3.29Å; T167-P174 WeakPolarHBondContact OG1-CA 3.19Å; T167-R175 HydrophobicContact CG2-CB 4.5Å; T167-R175 PolarHBondContact N-O 3.01Å; T167-R175 PolarHBondContact OG1-N 3.25Å; T167-R175 PolarHBondContact OG1-O 3.27Å; T167-L177 HydrophobicContact CG2-CD1 4.03Å; T167-L177 HydrophobicContact CG2-CD2 4.23Å; T167-L177 HydrophobicContact CG2-CG 4.34Å
168G76.2Confident83.8Confident5 Ų536.7 Ų36.75%0.05219%0.192CC..  trans-65.4160.9171.700000115.1D153 Y155 G170 C171D153-G168 PolarHBondContact O-N 2.95Å; Y155-G168 VanDerWaalsContact CD2-CA 3.41Å; Y155-G168 VanDerWaalsContact CE2-CA 3.47Å; G168-G170 VanDerWaalsContact C-N 3.33Å; G168-G170 PolarHBondContact O-N 3.25Å; G168-C171 VanDerWaalsContact O-CB 3.22Å; G168-C171 WeakPolarHBondContact O-CB 3.13Å; G168-C171 PolarHBondContact O-N 2.94Å; G168-C171 VanDerWaalsContact O-N 3.16Å
169P71.1Confident83.9Confident14 Ų1437.6 Ų37.69%0.09120%0.197CC..THydrogen-bonded Turntrans-65.9-30.8-175.525.4-33.8000113.6M70 C171M70-P169 HydrophobicContact CE-CB 4.14Å; M70-P169 HydrophobicContact SD-CB 4.38Å; P169-C171 PolarHBondContact O-N 3.39Å
170G66.3Low84Confident53 Ų5337.5 Ų37.555%0.54620%0.197SC..THydrogen-bonded Turntrans-70.1-2.9174.700000114.9G168G168-G170 VanDerWaalsContact C-N 3.33Å; G168-G170 PolarHBondContact O-N 3.25Å
171C69.6Low84.2Confident42 Ų4230.9 Ų30.928%0.28417%0.174SC..SBendtrans-68.3136.3174.5-170.90000110.8G168 P169 H173 P174G168-C171 VanDerWaalsContact O-CB 3.22Å; G168-C171 WeakPolarHBondContact O-CB 3.13Å; G168-C171 PolarHBondContact O-N 2.94Å; G168-C171 VanDerWaalsContact O-N 3.16Å; P169-C171 PolarHBondContact O-N 3.39Å; C171-H173 PolarHBondContact O-N 3.32Å; C171-H173 VanDerWaalsContact O-N 3.13Å; C171-P174 VanDerWaalsContact O-CD 3.26Å; C171-P174 WeakPolarHBondContact O-CD 3.38Å; C171-P174 WeakPolarHBondContact O-CG 3.3Å
172S67.4Low84.1Confident84 Ų8431.5 Ų31.559%0.58718%0.176SC*.SBendtrans-55.8-33.6177.161.40000112.9
173H73.8Confident83.3Confident114 Ų11435.7 Ų35.753%0.52820%0.201SC..SBendtrans-130.280.9179.8-62.381.9000111C171 R175C171-H173 PolarHBondContact O-N 3.32Å; C171-H173 VanDerWaalsContact O-N 3.13Å; H173-R175 WeakPolarHBondContact O-CG 3.13Å; H173-R175 PolarHBondContact O-N 3.36Å
174P79.6Confident82.3Confident24 Ų2440.2 Ų40.216%0.15623%0.225CC..  trans-63.7134.6-178.2-21.834.5000112.4M70 L77 T167 C171M70-P174 HydrophobicContact SD-CB 3.49Å; M70-P174 WeakPolarHBondContact SD-CB 3.18Å; M70-P174 HydrophobicContact SD-CG 4.16Å; L77-P174 HydrophobicContact CD1-CB 3.95Å; T167-P174 VanDerWaalsContact OG1-CA 3.29Å; T167-P174 WeakPolarHBondContact OG1-CA 3.19Å; C171-P174 VanDerWaalsContact O-CD 3.26Å; C171-P174 WeakPolarHBondContact O-CD 3.38Å; C171-P174 WeakPolarHBondContact O-CG 3.3Å
175R86.5Confident81.2Confident153 Ų15342.9 Ų42.958%0.57724%0.239SC*.  trans-138.5141.3-175.7-67.7173.2-164.1-161.52.8111.9L77 T166 T167 H173 L177L77-R175 VanDerWaalsContact CD1-C 3.45Å; T166-R175 WeakPolarHBondContact CA-O 3.14Å; T167-R175 HydrophobicContact CG2-CB 4.5Å; T167-R175 PolarHBondContact N-O 3.01Å; T167-R175 PolarHBondContact OG1-N 3.25Å; T167-R175 PolarHBondContact OG1-O 3.27Å; H173-R175 WeakPolarHBondContact O-CG 3.13Å; H173-R175 PolarHBondContact O-N 3.36Å; R175-L177 HydrophobicContact CB-CD2 4.12Å
176L91.6Very high80.7Confident33 Ų3344.7 Ų44.717%0.17325%0.248CC..EExtended strand (participates in β ladder)trans-72.3130157.4-177.363000106.6V72 L77 C164 T166V72-L176 HydrophobicContact CG1-CD1 4.15Å; L77-L176 HydrophobicContact CD2-CB 4.03Å; L77-L176 HydrophobicContact CG-CB 4.34Å; C164-L176 HydrophobicContact CB-CD1 3.95Å; T166-L176 HydrophobicContact CG2-CD1 4.03Å
177L91.5Very high80.4Confident25 Ų2545.8 Ų45.813%0.13125%0.253CS..EExtended strand (participates in β ladder)trans-108.7-33-172.7-60.7175.2000112I116 L117 Y120 F165 T167 R175I116-L177 WeakPolarHBondContact CD1-O 3.36Å; L117-L177 HydrophobicContact CD2-CB 3.75Å; L117-L177 WeakPolarHBondContact CD2-O 3.47Å; Y120-L177 HydrophobicContact CD1-CD1 4.46Å; Y120-L177 HydrophobicContact CD2-CD1 3.83Å; Y120-L177 HydrophobicContact CD2-CD2 4.28Å; Y120-L177 HydrophobicContact CE1-CD1 4.22Å; Y120-L177 HydrophobicContact CE2-CD1 3.56Å; Y120-L177 HydrophobicContact CE2-CD2 4.45Å; Y120-L177 HydrophobicContact CG-CD1 4.28Å; F165-L177 HydrophobicContact CD1-CB 3.76Å; F165-L177 HydrophobicContact CD1-CD1 3.75Å; F165-L177 HydrophobicContact CD1-CG 4.38Å; F165-L177 HydrophobicContact CE1-CB 4.34Å; F165-L177 HydrophobicContact CE1-CD1 3.53Å; F165-L177 HydrophobicContact CG-CB 4.49Å; F165-L177 HydrophobicContact CZ-CD1 4.18Å; F165-L177 WeakPolarHBondContact O-CB 3.49Å; F165-L177 PolarHBondContact O-N 2.92Å; T167-L177 HydrophobicContact CG2-CD1 4.03Å; T167-L177 HydrophobicContact CG2-CD2 4.23Å; T167-L177 HydrophobicContact CG2-CG 4.34Å; R175-L177 HydrophobicContact CB-CD2 4.12Å
178A92.2Very high80.1Confident0 Ų048 Ų480%027%0.267CS..EExtended strand (participates in β ladder)trans-161.8160.9168.600000110L117 F165 W180 A221L117-A178 HydrophobicContact CD1-CB 3.86Å; L117-A178 HydrophobicContact CD2-CB 4.14Å; L117-A178 HydrophobicContact CG-CB 4.2Å; F165-A178 PolarHBondContact N-O 3.1Å; F165-A178 PolarHBondContact O-N 3.36Å; A178-W180 HydrophobicContact CB-CH2 3.76Å; A178-W180 HydrophobicContact CB-CZ2 3.8Å; A178-W180 HydrophobicContact CB-CZ3 4.18Å; A178-A221 HydrophobicContact CB-CB 3.74Å
179T92.9Very high80.4Confident20 Ų2051.1 Ų51.112%0.12328%0.28CS..EExtended strand (participates in β ladder)trans-135142.9166.7-59.10000108.1R162 I163 H218R162-T179 HydrophobicContact CB-CG2 4.12Å; R162-T179 HydrophobicContact CG-CG2 4.34Å; I163-T179 CarbonylContact O-C 3.58Å; I163-T179 WeakPolarHBondContact O-CA 3.49Å; T179-H218 PolarHBondContact O-CE1 3.41Å; T179-H218 VanDerWaalsContact O-CE1 3.25Å; T179-H218 PolarHBondContact O-NE2 3.04Å; T179-H218 VanDerWaalsContact O-NE2 3.11Å
180W91Very high81.2Confident0 Ų050.5 Ų50.50%028%0.276CS..EExtended strand (participates in β ladder)trans-132.6130.4171-53.4-88.9000109.2L117 L156 R162 I163 F165 A178 I187 L212 H218 A221 F227L117-W180 HydrophobicContact CD1-CH2 3.78Å; L117-W180 HydrophobicContact CD1-CZ2 3.74Å; L156-W180 HydrophobicContact CD2-CZ3 4.35Å; R162-W180 CarbonylContact C-O 3.59Å; R162-W180 VanDerWaalsContact CA-O 3.26Å; R162-W180 WeakPolarHBondContact CA-O 3.13Å; R162-W180 WeakPolarHBondContact CB-O 3.19Å; I163-W180 HydrophobicContact CB-CE3 4.31Å; I163-W180 HydrophobicContact CG2-CE3 4.24Å; I163-W180 HydrophobicContact CG2-CZ3 4.47Å; I163-W180 PolarHBondContact N-O 3.31Å; I163-W180 PolarHBondContact O-N 3.35Å; F165-W180 HydrophobicContact CB-CH2 4.18Å; F165-W180 HydrophobicContact CB-CZ3 3.95Å; A178-W180 HydrophobicContact CB-CH2 3.76Å; A178-W180 HydrophobicContact CB-CZ2 3.8Å; A178-W180 HydrophobicContact CB-CZ3 4.18Å; W180-I187 HydrophobicContact CB-CD1 3.85Å; W180-I187 HydrophobicContact CB-CG1 3.62Å; W180-I187 HydrophobicContact CG-CG1 4.42Å; W180-L212 HydrophobicContact CD2-CD1 4.1Å; W180-L212 HydrophobicContact CD2-CD2 3.92Å; W180-L212 HydrophobicContact CE3-CD1 3.91Å; W180-L212 HydrophobicContact CE3-CD2 4.48Å; W180-L212 HydrophobicContact CG-CD2 4.13Å; W180-L212 HydrophobicContact CZ2-CD2 4.21Å; W180-L212 HydrophobicContact CZ3-CD1 4.26Å; W180-H218 AromaticContact CD1-CD2 3.67Å; W180-H218 AromaticContact CD1-CE1 3.7Å; W180-H218 AromaticContact CD1-NE2 3.31Å; W180-H218 VanDerWaalsContact CD1-NE2 3.31Å; W180-H218 AromaticContact NE1-CE1 3.99Å; W180-A221 HydrophobicContact CZ2-CB 3.59Å; W180-A221 PolarHBondContact NE1-O 3.45Å; W180-F227 HydrophobicContact CH2-CZ 4.02Å
181T87.5Confident82.1Confident17 Ų1748.1 Ų48.110%0.10425%0.252CS..EExtended strand (participates in β ladder)trans-96.5154.7179.464.30000112.9D161 R162 N184 E186D161-T181 CarbonylContact O-C 3.6Å; D161-T181 WeakPolarHBondContact O-CA 3.07Å; R162-T181 HydrophobicContact CB-CG2 4.14Å; T181-N184 WeakPolarHBondContact OG1-CB 3.25Å; T181-N184 PolarHBondContact OG1-ND2 2.9Å; T181-E186 WeakPolarHBondContact CB-OE2 3.33Å; T181-E186 PolarHBondContact N-OE2 3.25Å; T181-E186 PolarHBondContact OG1-OE2 3.14Å
182F82.1Confident82.8Confident26 Ų2646.6 Ų46.611%0.11424%0.241CC..THydrogen-bonded Turntrans-83.3-29.3173.1-59.2-64.4000112.3D161 I163 I187 I239 N243D161-F182 PolarHBondContact O-N 3.31Å; I163-F182 HydrophobicContact CD1-CE1 4.05Å; I163-F182 HydrophobicContact CD1-CZ 3.86Å; I163-F182 HydrophobicContact CG1-CE1 4.06Å; I163-F182 HydrophobicContact CG1-CE2 4.25Å; I163-F182 HydrophobicContact CG1-CZ 3.49Å; I163-F182 VanDerWaalsContact CG1-CZ 3.49Å; F182-I187 HydrophobicContact CD1-CD1 3.74Å; F182-I187 HydrophobicContact CE1-CD1 3.56Å; F182-I187 HydrophobicContact CZ-CD1 4.37Å; F182-I239 HydrophobicContact CE1-CG2 4.18Å; F182-I239 HydrophobicContact CZ-CG2 4.24Å; F182-N243 WeakPolarHBondContact CB-OD1 3.26Å; F182-N243 WeakPolarHBondContact CD2-OD1 3.27Å; F182-N243 WeakPolarHBondContact CE1-ND2 3.35Å; F182-N243 WeakPolarHBondContact CE2-ND2 3.37Å; F182-N243 WeakPolarHBondContact CG-OD1 3.29Å; F182-N243 WeakPolarHBondContact CZ-ND2 3.45Å
183D72.7Confident83.1Confident126 Ų12644.2 Ų44.267%0.67423%0.226SC*.THydrogen-bonded Turntrans-77.1-30-173.5-69.3-32.9000114.5D185D183-D185 VanDerWaalsContact C-N 3.29Å; D183-D185 PolarHBondContact O-N 3.17Å
184N70.4Confident82.8Confident95 Ų9545.7 Ų45.751%0.50823%0.227SC..THydrogen-bonded Turntrans-86.56.4-177.7-70.8-22000114T181 E186T181-N184 WeakPolarHBondContact OG1-CB 3.25Å; T181-N184 PolarHBondContact OG1-ND2 2.9Å; N184-E186 HydrophobicContact CB-CB 4.45Å; N184-E186 HydrophobicContact CB-CG 3.7Å; N184-E186 WeakPolarHBondContact CB-OE1 3.44Å; N184-E186 PolarHBondContact ND2-OE1 2.83Å; N184-E186 PolarHBondContact O-N 3.17Å
185D70.4Confident82Confident57 Ų5746.3 Ų46.331%0.30523%0.231SC..THydrogen-bonded Turntrans50.533.4-164.2-64.4-48.1000112.6D183 I187 R368D183-D185 VanDerWaalsContact C-N 3.29Å; D183-D185 PolarHBondContact O-N 3.17Å; D185-I187 VanDerWaalsContact C-N 3.29Å; D185-I187 PolarHBondContact O-N 3.39Å; D185-R368 IonicContact OD1-CZ 2.84Å; D185-R368 IonicContact OD1-NE 2.93Å; D185-R368 PolarHBondContact OD1-NE 2.91Å; D185-R368 IonicContact OD1-NH2 3.16Å; D185-R368 PolarHBondContact OD1-NH2 2.7Å
186E83.9Confident80.3Confident38 Ų3846.2 Ų46.218%0.17824%0.237CC..  trans-70.1-24.7178.6-84.2165.7-166.500113T181 N184 A214 F215 H218T181-E186 WeakPolarHBondContact CB-OE2 3.33Å; T181-E186 PolarHBondContact N-OE2 3.25Å; T181-E186 PolarHBondContact OG1-OE2 3.14Å; N184-E186 HydrophobicContact CB-CB 4.45Å; N184-E186 HydrophobicContact CB-CG 3.7Å; N184-E186 WeakPolarHBondContact CB-OE1 3.44Å; N184-E186 PolarHBondContact ND2-OE1 2.83Å; N184-E186 PolarHBondContact O-N 3.17Å; E186-A214 CarbonylContact O-C 3.59Å; E186-A214 VanDerWaalsContact O-CA 3.23Å; E186-A214 WeakPolarHBondContact O-CA 3.33Å; E186-F215 PolarHBondContact O-N 2.93Å; E186-H218 IonicContact OE2-NE2 3.58Å
187I84.8Confident78.2Confident23 Ų2350.1 Ų50.112%0.11826%0.258CS..EExtended strand (participates in β ladder)trans-103.1117.9172.7-57.9170000108.4I163 W180 F182 D185 L212I163-I187 HydrophobicContact CD1-CD1 3.87Å; I163-I187 HydrophobicContact CG1-CD1 4.1Å; W180-I187 HydrophobicContact CB-CD1 3.85Å; W180-I187 HydrophobicContact CB-CG1 3.62Å; W180-I187 HydrophobicContact CG-CG1 4.42Å; F182-I187 HydrophobicContact CD1-CD1 3.74Å; F182-I187 HydrophobicContact CE1-CD1 3.56Å; F182-I187 HydrophobicContact CZ-CD1 4.37Å; D185-I187 VanDerWaalsContact C-N 3.29Å; D185-I187 PolarHBondContact O-N 3.39Å; I187-L212 HydrophobicContact CD1-CD1 4.5Å
188V80.9Confident75.8Confident58 Ų5855 Ų5535%0.35229%0.288SS..EExtended strand (participates in β ladder)trans-85.7-38.9178.2-177.90000110.9T213 F215V188-T213 HydrophobicContact CB-CG2 4.36Å; V188-T213 PolarHBondContact N-O 3.06Å; V188-F215 HydrophobicContact CG2-CB 4.28Å; V188-F215 HydrophobicContact CG2-CD2 4.34Å
189Q82.9Confident73.3Confident72 Ų7260 Ų6034%0.33632%0.319SS..EExtended strand (participates in β ladder)trans-159.1146.9178.3-167.1-178.59.800110.9F211 T213 R369Q189-F211 HydrophobicContact CG-CE2 3.98Å; Q189-T213 PolarHBondContact N-O 3.29Å; Q189-T213 PolarHBondContact O-N 3.2Å; Q189-R369 WeakPolarHBondContact CG-O 3.32Å; Q189-R369 PolarHBondContact NE2-O 2.84Å
190C87.4Confident70.4Confident1 Ų170.7 Ų70.71%0.00736%0.357CS..EExtended strand (participates in β ladder)trans-144.4162.5160.659.10000110.8F210 F211 L212 L371C190-F210 HydrophobicContact CB-CE2 3.93Å; C190-F210 HydrophobicContact CB-CZ 3.72Å; C190-F211 WeakPolarHBondContact CA-O 3.45Å; C190-F211 WeakPolarHBondContact CB-O 3.42Å; C190-L212 HydrophobicContact CB-CB 4.38Å; C190-L371 WeakPolarHBondContact SG-CD2 3.41Å
191G84.9Confident67.7Low3 Ų374.5 Ų74.53%0.03140%0.396CS..EExtended strand (participates in β ladder)trans177-178.9-177.100000113.7F211 C236G191-F211 PolarHBondContact N-O 2.88Å; G191-F211 VanDerWaalsContact N-O 3.13Å; G191-F211 WeakPolarHBondContact O-CD1 3.5Å; G191-F211 WeakPolarHBondContact O-CE1 3.33Å; G191-F211 PolarHBondContact O-N 3.26Å; G191-C236 VanDerWaalsContact C-SG 3.51Å; G191-C236 VanDerWaalsContact CA-SG 3.54Å
192T84.2Confident65.3Low10 Ų1076.7 Ų76.76%0.06141%0.412CS..EExtended strand (participates in β ladder)trans-94.1150.8173.8680000112.7L209 A232 C236T192-L209 CarbonylContact C-O 3.3Å; T192-L209 WeakPolarHBondContact CA-O 3.23Å; T192-A232 HydrophobicContact CG2-CB 4.28Å; T192-A232 VanDerWaalsContact CG2-O 3.29Å; T192-A232 WeakPolarHBondContact CG2-O 3.47Å; T192-C236 HydrophobicContact CG2-CB 4.12Å
193A74.2Confident63.1Low33 Ų3386 Ų8627%0.27345%0.453SS..EExtended strand (participates in β ladder)trans-137.8154.3165.200000110.1L209 F211A193-L209 HydrophobicContact CB-CB 4.18Å; A193-L209 PolarHBondContact N-O 3Å; A193-L209 WeakPolarHBondContact O-CB 3.26Å; A193-L209 PolarHBondContact O-N 3.43Å; A193-F211 HydrophobicContact CB-CD1 4.44Å
194R67.3Low61.5Low145 Ų14584.1 Ų84.155%0.54745%0.446SS..EExtended strand (participates in β ladder)trans-114.5137.2177.4-70.1-179.5171.4-178.1-4.9110.1Q196 P206 P375R194-Q196 PolarHBondContact O-N 3.44Å; R194-P206 HydrophobicContact CG-CG 4.49Å; R194-P375 HydrophobicContact CG-CB 4.25Å
195V61.9Low60.4Low38 Ų3885.9 Ų85.923%0.2346%0.456CS..  trans-77.6115169.8-177.50000108.4L129 N197 L209L129-V195 HydrophobicContact CD2-CG1 4.5Å; L129-V195 HydrophobicContact CD2-CG2 4.13Å; V195-N197 PolarHBondContact O-N 2.96Å; V195-L209 HydrophobicContact CG2-CD1 3.59Å; V195-L209 HydrophobicContact CG2-CG 4.02Å
196Q51.4Low59.4Low151 Ų15185.2 Ų85.271%0.70645%0.454SS*.  trans-72.698.2173.5-168.6-177.84900109.3R194 T198R194-Q196 PolarHBondContact O-N 3.44Å; Q196-T198 PolarHBondContact O-N 3.23Å
197N47.5Very low58Low115 Ų11585.3 Ų85.362%0.61546%0.458SS*.  trans-77119.1178-164.80.6000109.6V195 V199V195-N197 PolarHBondContact O-N 2.96Å; N197-V199 PolarHBondContact O-N 3.49Å
198T42.3Very low57.4Low126 Ų12685 Ų8577%0.77346%0.458SS*.  trans-75.1-2.8-172.150.10000114.3Q196 R200Q196-T198 PolarHBondContact O-N 3.23Å; T198-R200 PolarHBondContact O-N 3.2Å
199V39.5Very low57.6Low105 Ų10583 Ų8364%0.63645%0.446SS*.SBendtrans-79105.6175.8-174.40000110.1N197 G201N197-V199 PolarHBondContact O-N 3.49Å; V199-G201 PolarHBondContact O-N 2.7Å
200R31.5Very low57.9Low246 Ų24679.6 Ų79.693%0.92843%0.43SS*.THydrogen-bonded Turntrans-51.3131.9172.1-75.5-177.2171.7-172.6-2.3111.1T198T198-R200 PolarHBondContact O-N 3.2Å
201G34.4Very low58.1Low80 Ų8082 Ų8283%0.82544%0.44SS*.THydrogen-bonded Turntrans107.89.4154.300000119.1V199V199-G201 PolarHBondContact O-N 2.7Å
202S36.5Very low58.4Low63 Ų6381.9 Ų81.944%0.44144%0.439SS..  trans-122.792.7175.8-156.30000112.5T204S202-T204 PolarHBondContact O-N 2.87Å; S202-T204 PolarHBondContact OG-OG1 3.49Å; S202-T204 VanDerWaalsContact OG-OG1 3.04Å
203F35.4Very low58.7Low222 Ų22283 Ų8397%0.97445%0.446SS*.  trans-76.264.4168.4-79.8-86.3000111
204T39.7Very low59.4Low85 Ų8581.6 Ų81.652%0.52143%0.434SS..SBendtrans-124.4120.6171.549.50000106.6S202S202-T204 PolarHBondContact O-N 2.87Å; S202-T204 PolarHBondContact OG-OG1 3.49Å; S202-T204 VanDerWaalsContact OG-OG1 3.04Å
205D47.6Very low60.3Low133 Ų13376.5 Ų76.571%0.71142%0.416SS*.PPolyproline II helixtrans-47.1127.9-153.2-66.2-78.1000115
206P49.7Very low61.3Low42 Ų4278.1 Ų78.127%0.27343%0.429SS..PPolyproline II helixtrans-63.3144.8173.928.7-33.9000109.1R194 S208R194-P206 HydrophobicContact CG-CG 4.49Å; P206-S208 PolarHBondContact O-N 3.47Å
207P54.1Low62.7Low40 Ų4076.8 Ų76.826%0.2643%0.426SS..PPolyproline II helixtrans-65.4117.8-176.129.8-33.2000107.9Y144 L228Y144-P207 WeakPolarHBondContact OH-CD 3.34Å; P207-L228 HydrophobicContact CB-CD1 3.82Å; P207-L228 HydrophobicContact CB-CG 4.49Å; P207-L228 HydrophobicContact CG-CD1 4.25Å
208S72.2Confident64.6Low18 Ų1871.9 Ų71.913%0.12640%0.4CS..EExtended strand (participates in β ladder)trans-74.3136.2-173.2-64.40000109.7P206 S229P206-S208 PolarHBondContact O-N 3.47Å; S208-S229 CarbonylContact C-O 3.56Å; S208-S229 CarbonylContact O-C 3.59Å; S208-S229 PolarHBondContact O-N 2.86Å
209L85.3Confident66.5Low16 Ų1671.2 Ų71.28%0.08440%0.398CS..EExtended strand (participates in β ladder)trans-98.9134.3177.7-64.3172.1000108.4I109 T192 A193 V195 L226 F227 L228I109-L209 HydrophobicContact CD1-CD2 3.52Å; T192-L209 CarbonylContact C-O 3.3Å; T192-L209 WeakPolarHBondContact CA-O 3.23Å; A193-L209 HydrophobicContact CB-CB 4.18Å; A193-L209 PolarHBondContact N-O 3Å; A193-L209 WeakPolarHBondContact O-CB 3.26Å; A193-L209 PolarHBondContact O-N 3.43Å; V195-L209 HydrophobicContact CG2-CD1 3.59Å; V195-L209 HydrophobicContact CG2-CG 4.02Å; L209-L226 HydrophobicContact CB-CD1 4.03Å; L209-L226 HydrophobicContact CD1-CD1 4.35Å; L209-L226 HydrophobicContact CD1-CD2 4.23Å; L209-L226 HydrophobicContact CD2-CD2 4.36Å; L209-L226 HydrophobicContact CD2-CG 4.31Å; L209-F227 WeakPolarHBondContact CA-O 3.45Å; L209-L228 HydrophobicContact CD2-CD1 3.78Å
210F89.8Confident68.6Low0 Ų070.4 Ų70.40%039%0.387CS..EExtended strand (participates in β ladder)trans-103.2128.7165.5176.8-105.8000108.5L156 I163 C190 L212 F227 A232 L235 I239L156-F210 HydrophobicContact CD1-CD1 3.7Å; L156-F210 HydrophobicContact CD1-CE1 3.96Å; I163-F210 HydrophobicContact CD1-CZ 4.46Å; C190-F210 HydrophobicContact CB-CE2 3.93Å; C190-F210 HydrophobicContact CB-CZ 3.72Å; F210-L212 HydrophobicContact CE1-CB 3.98Å; F210-L212 HydrophobicContact CE1-CD1 4.2Å; F210-L212 HydrophobicContact CZ-CB 4.48Å; F210-F227 HydrophobicContact CB-CB 4.43Å; F210-F227 AromaticContact CD1-CD2 3.85Å; F210-F227 HydrophobicContact CD1-CD2 3.85Å; F210-F227 HydrophobicContact CD1-CE2 4.44Å; F210-F227 PolarHBondContact N-O 3.49Å; F210-F227 PolarHBondContact O-N 3.03Å; F210-A232 HydrophobicContact CB-CB 4.07Å; F210-L235 HydrophobicContact CB-CD2 3.91Å; F210-L235 HydrophobicContact CD1-CD2 3.72Å; F210-L235 HydrophobicContact CD2-CD2 3.65Å; F210-L235 HydrophobicContact CD2-CG 4.01Å; F210-L235 HydrophobicContact CE1-CD2 4.09Å; F210-L235 HydrophobicContact CE2-CD2 4.03Å; F210-L235 HydrophobicContact CE2-CG 4.05Å; F210-L235 HydrophobicContact CG-CD2 3.48Å; F210-L235 VanDerWaalsContact CG-CD2 3.48Å; F210-L235 HydrophobicContact CG-CG 4.34Å; F210-L235 HydrophobicContact CZ-CD2 4.23Å; F210-L235 HydrophobicContact CZ-CG 4.4Å; F210-I239 HydrophobicContact CE2-CD1 3.78Å; F210-I239 HydrophobicContact CZ-CD1 3.68Å
211F91.1Very high71.4Confident52 Ų5258.7 Ų58.723%0.22834%0.343CS..EExtended strand (participates in β ladder)trans-112.3143.9174.170.8-93000110.9Q189 C190 G191 A193 H225 L226Q189-F211 HydrophobicContact CG-CE2 3.98Å; C190-F211 WeakPolarHBondContact CA-O 3.45Å; C190-F211 WeakPolarHBondContact CB-O 3.42Å; G191-F211 PolarHBondContact N-O 2.88Å; G191-F211 VanDerWaalsContact N-O 3.13Å; G191-F211 WeakPolarHBondContact O-CD1 3.5Å; G191-F211 WeakPolarHBondContact O-CE1 3.33Å; G191-F211 PolarHBondContact O-N 3.26Å; A193-F211 HydrophobicContact CB-CD1 4.44Å; F211-H225 WeakPolarHBondContact CA-O 3.44Å; F211-L226 HydrophobicContact CB-CD1 3.95Å
212L91.5Very high74.1Confident0 Ų055.2 Ų55.20%031%0.306CS..EExtended strand (participates in β ladder)trans-138.1117.2177.3-176.3157.6000109.3I163 W180 I187 C190 F210 A214 S224 H225 F227I163-L212 HydrophobicContact CD1-CD1 3.91Å; I163-L212 HydrophobicContact CG2-CD1 4.48Å; W180-L212 HydrophobicContact CD2-CD1 4.1Å; W180-L212 HydrophobicContact CD2-CD2 3.92Å; W180-L212 HydrophobicContact CE3-CD1 3.91Å; W180-L212 HydrophobicContact CE3-CD2 4.48Å; W180-L212 HydrophobicContact CG-CD2 4.13Å; W180-L212 HydrophobicContact CZ2-CD2 4.21Å; W180-L212 HydrophobicContact CZ3-CD1 4.26Å; I187-L212 HydrophobicContact CD1-CD1 4.5Å; C190-L212 HydrophobicContact CB-CB 4.38Å; F210-L212 HydrophobicContact CE1-CB 3.98Å; F210-L212 HydrophobicContact CE1-CD1 4.2Å; F210-L212 HydrophobicContact CZ-CB 4.48Å; L212-A214 HydrophobicContact CD2-CB 4.06Å; L212-S224 CarbonylContact O-C 3.56Å; L212-S224 WeakPolarHBondContact O-CA 3.34Å; L212-H225 PolarHBondContact N-O 2.94Å; L212-H225 PolarHBondContact O-CE1 2.84Å; L212-H225 PolarHBondContact O-N 3.34Å; L212-H225 PolarHBondContact O-ND1 2.85Å; L212-F227 HydrophobicContact CB-CE2 4.45Å
213T89.5Confident76.6Confident34 Ų3453.1 Ų53.121%0.20929%0.294CS..EExtended strand (participates in β ladder)trans-103.3109174.3-63.90000109.3V188 Q189 S224V188-T213 HydrophobicContact CB-CG2 4.36Å; V188-T213 PolarHBondContact N-O 3.06Å; Q189-T213 PolarHBondContact N-O 3.29Å; Q189-T213 PolarHBondContact O-N 3.2Å; T213-S224 PolarHBondContact OG1-OG 3.11Å
214A90Very high79.2Confident3 Ų344.6 Ų44.63%0.02526%0.262CS..EExtended strand (participates in β ladder)trans-90156.5175.800000111.7E186 L212 A221 G223E186-A214 CarbonylContact O-C 3.59Å; E186-A214 VanDerWaalsContact O-CA 3.23Å; E186-A214 WeakPolarHBondContact O-CA 3.33Å; L212-A214 HydrophobicContact CD2-CB 4.06Å; A214-A221 VanDerWaalsContact CB-O 3.26Å; A214-A221 WeakPolarHBondContact CB-O 3.32Å; A214-G223 PolarHBondContact N-O 2.88Å; A214-G223 WeakPolarHBondContact O-CA 3.37Å; A214-G223 PolarHBondContact O-N 3.06Å; A214-G223 VanDerWaalsContact O-N 3.09Å
215F85.3Confident81.6Confident37 Ų3740.7 Ų40.716%0.16224%0.238CC..  trans-57.9147.2178.6-171.1-108.6000112.3E186 V188 D217 H218 P222E186-F215 PolarHBondContact O-N 2.93Å; V188-F215 HydrophobicContact CG2-CB 4.28Å; V188-F215 HydrophobicContact CG2-CD2 4.34Å; F215-D217 VanDerWaalsContact C-N 3.28Å; F215-D217 HydrophobicContact CD1-CB 4Å; F215-D217 HydrophobicContact CE1-CB 3.79Å; F215-D217 VanDerWaalsContact CE1-OD2 3.25Å; F215-D217 WeakPolarHBondContact CE1-OD2 3.4Å; F215-D217 PolarHBondContact O-N 2.86Å; F215-H218 WeakPolarHBondContact O-CB 3.42Å; F215-H218 PolarHBondContact O-N 2.84Å; F215-H218 VanDerWaalsContact O-N 3.11Å; F215-P222 WeakPolarHBondContact O-CA 3.4Å; F215-P222 WeakPolarHBondContact O-CB 3.36Å
216S83.4Confident83.7Confident73 Ų7336.3 Ų36.351%0.5121%0.214SC..THydrogen-bonded Turntrans-59.9-34.7-172.4-60.10000114P222S216-P222 VanDerWaalsContact O-CB 3.22Å; S216-P222 WeakPolarHBondContact O-CB 3.5Å
217D81.2Confident85.6Confident122 Ų12234.3 Ų34.365%0.65220%0.201SC*.THydrogen-bonded Turntrans-97.114.4-178.4-49.7-41000112.9F215F215-D217 VanDerWaalsContact C-N 3.28Å; F215-D217 HydrophobicContact CD1-CB 4Å; F215-D217 HydrophobicContact CE1-CB 3.79Å; F215-D217 VanDerWaalsContact CE1-OD2 3.25Å; F215-D217 WeakPolarHBondContact CE1-OD2 3.4Å; F215-D217 PolarHBondContact O-N 2.86Å
218H85.9Confident87.1Confident12 Ų1234 Ų346%0.05620%0.197CC..  trans-59.7131.3176.5-177.3-76.2000110.5T179 W180 E186 F215 E220 A221 P222T179-H218 PolarHBondContact O-CE1 3.41Å; T179-H218 VanDerWaalsContact O-CE1 3.25Å; T179-H218 PolarHBondContact O-NE2 3.04Å; T179-H218 VanDerWaalsContact O-NE2 3.11Å; W180-H218 AromaticContact CD1-CD2 3.67Å; W180-H218 AromaticContact CD1-CE1 3.7Å; W180-H218 AromaticContact CD1-NE2 3.31Å; W180-H218 VanDerWaalsContact CD1-NE2 3.31Å; W180-H218 AromaticContact NE1-CE1 3.99Å; E186-H218 IonicContact OE2-NE2 3.58Å; F215-H218 WeakPolarHBondContact O-CB 3.42Å; F215-H218 PolarHBondContact O-N 2.84Å; F215-H218 VanDerWaalsContact O-N 3.11Å; H218-E220 PolarHBondContact ND1-N 3.46Å; H218-E220 PolarHBondContact O-N 3.34Å; H218-A221 PolarHBondContact ND1-N 3.03Å; H218-P222 HydrophobicContact CB-CB 3.99Å; H218-P222 WeakPolarHBondContact O-CD 3.41Å
219P82.3Confident87.7Confident113 Ų11333.2 Ų33.273%0.73419%0.192SC*.SBendtrans-70.1-28.6-163.225.2-35.5000115.2
220E84.2Confident87.4Confident87 Ų8738.7 Ų38.741%0.40722%0.221SC..SBendtrans-110.9-57.4-175.9-64.7-169.4160.300112.7I116 H218 P222I116-E220 HydrophobicContact CD1-CB 3.83Å; I116-E220 HydrophobicContact CD1-CG 4.33Å; I116-E220 HydrophobicContact CG1-CB 4.44Å; I116-E220 WeakPolarHBondContact CG1-O 3.23Å; I116-E220 PolarHBondContact N-O 3.15Å; I116-E220 VanDerWaalsContact N-O 3.08Å; H218-E220 PolarHBondContact ND1-N 3.46Å; H218-E220 PolarHBondContact O-N 3.34Å; E220-P222 WeakPolarHBondContact O-CD 3.2Å
221A89.5Confident87.2Confident0 Ų043.9 Ų43.90%024%0.241CC..SBendtrans-126.173.8-177.400000113.8S115 L117 A178 W180 A214 H218 H225S115-A221 WeakPolarHBondContact OG-CA 3.38Å; S115-A221 WeakPolarHBondContact OG-CB 3.22Å; L117-A221 HydrophobicContact CD1-CB 3.76Å; L117-A221 HydrophobicContact CG-CB 4.01Å; A178-A221 HydrophobicContact CB-CB 3.74Å; W180-A221 HydrophobicContact CZ2-CB 3.59Å; W180-A221 PolarHBondContact NE1-O 3.45Å; A214-A221 VanDerWaalsContact CB-O 3.26Å; A214-A221 WeakPolarHBondContact CB-O 3.32Å; H218-A221 PolarHBondContact ND1-N 3.03Å; A221-H225 PolarHBondContact O-NE2 3.18Å
222P91.1Very high87Confident8 Ų841.4 Ų41.45%0.05223%0.23CC..  trans-73.6158.7172.831.2-35.9000113.4P112 N114 F215 S216 H218 E220 H225P112-P222 WeakPolarHBondContact CG-O 3.44Å; N114-P222 WeakPolarHBondContact ND2-CG 3.19Å; F215-P222 WeakPolarHBondContact O-CA 3.4Å; F215-P222 WeakPolarHBondContact O-CB 3.36Å; S216-P222 VanDerWaalsContact O-CB 3.22Å; S216-P222 WeakPolarHBondContact O-CB 3.5Å; H218-P222 HydrophobicContact CB-CB 3.99Å; H218-P222 WeakPolarHBondContact O-CD 3.41Å; E220-P222 WeakPolarHBondContact O-CD 3.2Å; P222-H225 PolarHBondContact O-NE2 3.38Å
223G89.7Confident86.5Confident18 Ų1843.7 Ų43.719%0.18624%0.244CC..EExtended strand (participates in β ladder)trans77.4-163.9174.100000115A214 H225A214-G223 PolarHBondContact N-O 2.88Å; A214-G223 WeakPolarHBondContact O-CA 3.37Å; A214-G223 PolarHBondContact O-N 3.06Å; A214-G223 VanDerWaalsContact O-N 3.09Å; G223-H225 VanDerWaalsContact C-CE1 3.46Å; G223-H225 PolarHBondContact N-NE2 3.44Å; G223-H225 PolarHBondContact O-CE1 3.06Å; G223-H225 PolarHBondContact O-ND1 3.47Å; G223-H225 PolarHBondContact O-NE2 3.04Å
224S89.7Confident86.3Confident44 Ų4445 Ų4531%0.30825%0.25SC..EExtended strand (participates in β ladder)trans-91125.2-170-53.60000114.1P112 L212 T213P112-S224 WeakPolarHBondContact CD-O 3.26Å; L212-S224 CarbonylContact O-C 3.56Å; L212-S224 WeakPolarHBondContact O-CA 3.34Å; T213-S224 PolarHBondContact OG1-OG 3.11Å
225H90.9Very high86.2Confident3 Ų344.9 Ų44.91%0.01425%0.248CC..EExtended strand (participates in β ladder)trans-114.1145.1179.4-55.283.8000109.9L108 V110 F211 L212 A221 P222 G223 F227L108-H225 HydrophobicContact CD1-CB 4.12Å; V110-H225 WeakPolarHBondContact O-CA 3.48Å; F211-H225 WeakPolarHBondContact CA-O 3.44Å; L212-H225 PolarHBondContact N-O 2.94Å; L212-H225 PolarHBondContact O-CE1 2.84Å; L212-H225 PolarHBondContact O-N 3.34Å; L212-H225 PolarHBondContact O-ND1 2.85Å; A221-H225 PolarHBondContact O-NE2 3.18Å; P222-H225 PolarHBondContact O-NE2 3.38Å; G223-H225 VanDerWaalsContact C-CE1 3.46Å; G223-H225 PolarHBondContact N-NE2 3.44Å; G223-H225 PolarHBondContact O-CE1 3.06Å; G223-H225 PolarHBondContact O-ND1 3.47Å; G223-H225 PolarHBondContact O-NE2 3.04Å; H225-F227 HydrophobicContact CB-CE2 3.75Å; H225-F227 HydrophobicContact CB-CZ 4.23Å
226L90.5Very high86.2Confident41 Ų4143.2 Ų43.222%0.21524%0.242CC..EExtended strand (participates in β ladder)trans-128.1127.3178.6-167.570.8000110.3I109 V110 L209 F211I109-L226 HydrophobicContact CD1-CD2 4.36Å; I109-L226 HydrophobicContact CD1-CG 4.48Å; I109-L226 PolarHBondContact N-O 3.46Å; V110-L226 HydrophobicContact CB-CB 3.8Å; V110-L226 HydrophobicContact CG2-CB 4.07Å; V110-L226 HydrophobicContact CG2-CD2 4.07Å; V110-L226 PolarHBondContact N-O 3.23Å; V110-L226 PolarHBondContact O-N 3.1Å; L209-L226 HydrophobicContact CB-CD1 4.03Å; L209-L226 HydrophobicContact CD1-CD1 4.35Å; L209-L226 HydrophobicContact CD1-CD2 4.23Å; L209-L226 HydrophobicContact CD2-CD2 4.36Å; L209-L226 HydrophobicContact CD2-CG 4.31Å; F211-L226 HydrophobicContact CB-CD1 3.95Å
227F90.1Very high86.2Confident0 Ų043.1 Ų43.10%024%0.235CC..EExtended strand (participates in β ladder)trans-119.4139.7-179.3-56.8-98.5000110.4A106 D107 L108 L156 F165 W180 L209 F210 L212 H225A106-F227 HydrophobicContact CB-CB 4.4Å; A106-F227 HydrophobicContact CB-CD1 4.18Å; D107-F227 CarbonylContact O-C 3.57Å; D107-F227 WeakPolarHBondContact O-CA 3.19Å; L108-F227 HydrophobicContact CB-CD1 4.01Å; L108-F227 HydrophobicContact CB-CE1 4Å; L108-F227 HydrophobicContact CD1-CD1 3.94Å; L108-F227 HydrophobicContact CD1-CD2 4.48Å; L108-F227 HydrophobicContact CD1-CE1 3.56Å; L108-F227 HydrophobicContact CD1-CE2 4.14Å; L108-F227 HydrophobicContact CD1-CG 4.39Å; L108-F227 HydrophobicContact CD1-CZ 3.67Å; L108-F227 HydrophobicContact CG-CE1 4.37Å; L156-F227 HydrophobicContact CD1-CB 4.41Å; L156-F227 HydrophobicContact CD1-CD1 4.01Å; L156-F227 HydrophobicContact CD1-CD2 4.13Å; L156-F227 HydrophobicContact CD1-CE1 4.25Å; L156-F227 HydrophobicContact CD1-CE2 4.37Å; L156-F227 HydrophobicContact CD1-CG 3.94Å; L156-F227 HydrophobicContact CD1-CZ 4.43Å; L156-F227 HydrophobicContact CD2-CE1 3.99Å; L156-F227 HydrophobicContact CD2-CZ 3.98Å; L156-F227 HydrophobicContact CG-CD1 4.33Å; L156-F227 HydrophobicContact CG-CE1 4.26Å; F165-F227 HydrophobicContact CD1-CE1 4.15Å; F165-F227 HydrophobicContact CD2-CD1 4.46Å; F165-F227 AromaticContact CD2-CE1 3.75Å; F165-F227 HydrophobicContact CD2-CE1 3.75Å; F165-F227 HydrophobicContact CE1-CE1 4.14Å; F165-F227 HydrophobicContact CE2-CD1 4.13Å; F165-F227 AromaticContact CE2-CE1 3.74Å; F165-F227 HydrophobicContact CE2-CE1 3.74Å; F165-F227 AromaticContact CG-CE1 3.98Å; F165-F227 HydrophobicContact CG-CE1 3.98Å; F165-F227 HydrophobicContact CZ-CD1 4.41Å; F165-F227 AromaticContact CZ-CE1 3.95Å; F165-F227 HydrophobicContact CZ-CE1 3.95Å; W180-F227 HydrophobicContact CH2-CZ 4.02Å; L209-F227 WeakPolarHBondContact CA-O 3.45Å; F210-F227 HydrophobicContact CB-CB 4.43Å; F210-F227 AromaticContact CD1-CD2 3.85Å; F210-F227 HydrophobicContact CD1-CD2 3.85Å; F210-F227 HydrophobicContact CD1-CE2 4.44Å; F210-F227 PolarHBondContact N-O 3.49Å; F210-F227 PolarHBondContact O-N 3.03Å; L212-F227 HydrophobicContact CB-CE2 4.45Å; H225-F227 HydrophobicContact CB-CE2 3.75Å; H225-F227 HydrophobicContact CB-CZ 4.23Å
228L86.7Confident86.3Confident32 Ų3238.7 Ų38.717%0.16821%0.211CC..EExtended strand (participates in β ladder)trans-82.4125.5164.1-158.670.3000108.1A106 D107 I109 F127 P207 L209A106-L228 WeakPolarHBondContact CA-O 3.34Å; D107-L228 HydrophobicContact CB-CB 4.16Å; D107-L228 PolarHBondContact N-O 2.95Å; D107-L228 PolarHBondContact O-N 3.19Å; I109-L228 HydrophobicContact CD1-CB 3.9Å; I109-L228 HydrophobicContact CD1-CD1 4.06Å; I109-L228 HydrophobicContact CG1-CB 4.13Å; F127-L228 HydrophobicContact CE1-CD2 3.91Å; F127-L228 HydrophobicContact CE2-CD2 4.3Å; F127-L228 HydrophobicContact CZ-CD2 3.65Å; P207-L228 HydrophobicContact CB-CD1 3.82Å; P207-L228 HydrophobicContact CB-CG 4.49Å; P207-L228 HydrophobicContact CG-CD1 4.25Å; L209-L228 HydrophobicContact CD2-CD1 3.78Å
229S85.2Confident86.2Confident3 Ų338.1 Ų38.12%0.02121%0.209CC..  trans-148.2130.2171.3-173.40000111.3H105 S208 R231 A232H105-S229 WeakPolarHBondContact O-CB 3.43Å; H105-S229 PolarHBondContact O-OG 2.93Å; S208-S229 CarbonylContact C-O 3.56Å; S208-S229 CarbonylContact O-C 3.59Å; S208-S229 PolarHBondContact O-N 2.86Å; S229-R231 PolarHBondContact O-N 3.14Å; S229-R231 VanDerWaalsContact O-N 3.15Å; S229-R231 PolarHBondContact OG-N 3.15Å; S229-A232 PolarHBondContact O-N 3.28Å
230N79Confident86.1Confident131 Ų13134.9 Ų34.970%0.70118%0.183SC*.THydrogen-bonded Turntrans-64.1-14173.263.3-19000113.3
231R84.7Confident85.7Confident108 Ų10837.5 Ų37.541%0.40820%0.196SC..THydrogen-bonded Turntrans-12535.2-178.3-66-17668-147.4-3.4112.3F104 S229 T233 D234 L235F104-R231 HydrophobicContact CD1-CB 3.84Å; F104-R231 HydrophobicContact CE1-CB 4.25Å; S229-R231 PolarHBondContact O-N 3.14Å; S229-R231 VanDerWaalsContact O-N 3.15Å; S229-R231 PolarHBondContact OG-N 3.15Å; R231-T233 VanDerWaalsContact C-N 3.27Å; R231-T233 PolarHBondContact O-N 2.89Å; R231-D234 HydrophobicContact CB-CB 4.2Å; R231-D234 IonicContact CZ-OD2 2.57Å; R231-D234 IonicContact NE-OD2 3.33Å; R231-D234 PolarHBondContact NE-OD2 3.35Å; R231-D234 IonicContact NH2-OD2 2.67Å; R231-D234 PolarHBondContact NH2-OD2 2.93Å; R231-D234 PolarHBondContact O-N 2.99Å; R231-L235 VanDerWaalsContact O-CB 3.3Å; R231-L235 WeakPolarHBondContact O-CB 3.36Å; R231-L235 PolarHBondContact O-N 3.47Å
232A85.8Confident84.8Confident0 Ų039.5 Ų39.50%021%0.208CC..Hα-helixtrans-64.2-29.4-179.800000113.4T192 F210 S229 C236T192-A232 HydrophobicContact CG2-CB 4.28Å; T192-A232 VanDerWaalsContact CG2-O 3.29Å; T192-A232 WeakPolarHBondContact CG2-O 3.47Å; F210-A232 HydrophobicContact CB-CB 4.07Å; S229-A232 PolarHBondContact O-N 3.28Å; A232-C236 PolarHBondContact O-N 3.27Å; A232-C236 VanDerWaalsContact O-N 3.16Å
233T82.1Confident83.8Confident48 Ų4839.9 Ų39.929%0.29421%0.209SC..Hα-helixtrans-66.2-57.3174.2-39.50000110.3R231 L235 C236 D237R231-T233 VanDerWaalsContact C-N 3.27Å; R231-T233 PolarHBondContact O-N 2.89Å; T233-L235 PolarHBondContact O-N 3.49Å; T233-L235 VanDerWaalsContact O-N 3.11Å; T233-C236 CarbonylContact O-C 3.57Å; T233-C236 WeakPolarHBondContact O-CA 3.35Å; T233-C236 WeakPolarHBondContact O-CB 3.47Å; T233-C236 PolarHBondContact O-N 3.18Å; T233-D237 VanDerWaalsContact O-CG 3.31Å; T233-D237 PolarHBondContact O-N 2.82Å
234D85.5Confident82.7Confident62 Ų6243.1 Ų43.133%0.33222%0.219SC..Hα-helixtrans-50.1-39.9174.6-48.738.9000112F104 R231 M238F104-D234 HydrophobicContact CE1-CB 3.76Å; R231-D234 HydrophobicContact CB-CB 4.2Å; R231-D234 IonicContact CZ-OD2 2.57Å; R231-D234 IonicContact NE-OD2 3.33Å; R231-D234 PolarHBondContact NE-OD2 3.35Å; R231-D234 IonicContact NH2-OD2 2.67Å; R231-D234 PolarHBondContact NH2-OD2 2.93Å; R231-D234 PolarHBondContact O-N 2.99Å; D234-M238 WeakPolarHBondContact O-CB 3.49Å; D234-M238 PolarHBondContact O-N 3.47Å
235L87.4Confident81.2Confident0 Ų044.6 Ų44.60%024%0.235CC..Hα-helixtrans-62.4-43.1177.6175.360.3000111.5F104 L156 V158 F210 R231 T233 M238 I239F104-L235 HydrophobicContact CB-CD1 4.49Å; F104-L235 HydrophobicContact CD1-CB 4.02Å; F104-L235 HydrophobicContact CD2-CD1 3.81Å; F104-L235 HydrophobicContact CE1-CB 4.28Å; F104-L235 HydrophobicContact CE2-CD1 4.32Å; F104-L235 HydrophobicContact CG-CB 4.25Å; F104-L235 HydrophobicContact CG-CD1 4.02Å; L156-L235 HydrophobicContact CD1-CD2 3.82Å; V158-L235 HydrophobicContact CG2-CD1 3.51Å; F210-L235 HydrophobicContact CB-CD2 3.91Å; F210-L235 HydrophobicContact CD1-CD2 3.72Å; F210-L235 HydrophobicContact CD2-CD2 3.65Å; F210-L235 HydrophobicContact CD2-CG 4.01Å; F210-L235 HydrophobicContact CE1-CD2 4.09Å; F210-L235 HydrophobicContact CE2-CD2 4.03Å; F210-L235 HydrophobicContact CE2-CG 4.05Å; F210-L235 HydrophobicContact CG-CD2 3.48Å; F210-L235 VanDerWaalsContact CG-CD2 3.48Å; F210-L235 HydrophobicContact CG-CG 4.34Å; F210-L235 HydrophobicContact CZ-CD2 4.23Å; F210-L235 HydrophobicContact CZ-CG 4.4Å; R231-L235 VanDerWaalsContact O-CB 3.3Å; R231-L235 WeakPolarHBondContact O-CB 3.36Å; R231-L235 PolarHBondContact O-N 3.47Å; T233-L235 PolarHBondContact O-N 3.49Å; T233-L235 VanDerWaalsContact O-N 3.11Å; L235-M238 HydrophobicContact CD1-CE 3.77Å; L235-I239 HydrophobicContact CD1-CD1 4.05Å; L235-I239 HydrophobicContact CG-CD1 4.18Å; L235-I239 WeakPolarHBondContact O-CB 3.46Å; L235-I239 VanDerWaalsContact O-CD1 3.3Å; L235-I239 WeakPolarHBondContact O-CD1 3.02Å; L235-I239 WeakPolarHBondContact O-CG1 3.37Å; L235-I239 PolarHBondContact O-N 2.81Å
236C85.3Confident79.7Confident3 Ų346 Ų462%0.0225%0.247CC..Hα-helixtrans-70.3-47.8173.4-77.10000112.7G191 T192 A232 T233 M238 I239 E240G191-C236 VanDerWaalsContact C-SG 3.51Å; G191-C236 VanDerWaalsContact CA-SG 3.54Å; T192-C236 HydrophobicContact CG2-CB 4.12Å; A232-C236 PolarHBondContact O-N 3.27Å; A232-C236 VanDerWaalsContact O-N 3.16Å; T233-C236 CarbonylContact O-C 3.57Å; T233-C236 WeakPolarHBondContact O-CA 3.35Å; T233-C236 WeakPolarHBondContact O-CB 3.47Å; T233-C236 PolarHBondContact O-N 3.18Å; C236-M238 PolarHBondContact O-N 2.99Å; C236-I239 PolarHBondContact O-N 2.91Å; C236-E240 WeakPolarHBondContact O-CG 3.05Å; C236-E240 PolarHBondContact O-N 2.94Å
237D83.2Confident78.3Confident70 Ų7045.4 Ų45.437%0.37425%0.245SC..Hα-helixtrans-54.1-43.9179-62.5-38000111.2T233 E240 H241 S373T233-D237 VanDerWaalsContact O-CG 3.31Å; T233-D237 PolarHBondContact O-N 2.82Å; D237-E240 PolarHBondContact O-N 2.8Å; D237-H241 WeakPolarHBondContact O-CB 3.37Å; D237-H241 PolarHBondContact O-N 2.93Å; D237-S373 WeakPolarHBondContact OD1-CB 3.46Å
238M82.8Confident76.7Confident29 Ų2951.7 Ų51.714%0.14327%0.269CS..Hα-helixtrans-74.1-35.2177172.3-151.15300112.5S102 F104 V158 D234 L235 C236 E240 H241 T242S102-M238 WeakPolarHBondContact CB-SD 3.48Å; F104-M238 HydrophobicContact CD2-CE 3.92Å; F104-M238 HydrophobicContact CE2-CE 3.15Å; F104-M238 HydrophobicContact CE2-SD 3.42Å; F104-M238 WeakPolarHBondContact CE2-SD 3.37Å; F104-M238 HydrophobicContact CZ-CE 3.56Å; F104-M238 HydrophobicContact CZ-SD 3.68Å; V158-M238 HydrophobicContact CB-CE 3.37Å; V158-M238 HydrophobicContact CB-SD 4.08Å; V158-M238 HydrophobicContact CG1-CE 3.82Å; V158-M238 HydrophobicContact CG1-SD 4.43Å; V158-M238 HydrophobicContact CG2-CE 3.43Å; V158-M238 VanDerWaalsContact CG2-CE 3.43Å; D234-M238 WeakPolarHBondContact O-CB 3.49Å; D234-M238 PolarHBondContact O-N 3.47Å; L235-M238 HydrophobicContact CD1-CE 3.77Å; C236-M238 PolarHBondContact O-N 2.99Å; M238-E240 VanDerWaalsContact C-N 3.29Å; M238-E240 PolarHBondContact O-N 2.9Å; M238-H241 PolarHBondContact O-N 2.69Å; M238-T242 WeakPolarHBondContact O-CB 3.38Å; M238-T242 PolarHBondContact O-N 3.13Å; M238-T242 PolarHBondContact O-OG1 2.8Å
239I85.3Confident75.2Confident1 Ų154.8 Ų54.81%0.00528%0.283CS..Hα-helixtrans-60.6-42.9171.4-75.3162.7000109.8V158 I163 F182 F210 L235 C236 N243 L371V158-I239 HydrophobicContact CG1-CG1 3.86Å; V158-I239 HydrophobicContact CG2-CD1 4.27Å; V158-I239 HydrophobicContact CG2-CG1 3.97Å; I163-I239 HydrophobicContact CD1-CD1 3.7Å; I163-I239 HydrophobicContact CD1-CG1 4.27Å; F182-I239 HydrophobicContact CE1-CG2 4.18Å; F182-I239 HydrophobicContact CZ-CG2 4.24Å; F210-I239 HydrophobicContact CE2-CD1 3.78Å; F210-I239 HydrophobicContact CZ-CD1 3.68Å; L235-I239 HydrophobicContact CD1-CD1 4.05Å; L235-I239 HydrophobicContact CG-CD1 4.18Å; L235-I239 WeakPolarHBondContact O-CB 3.46Å; L235-I239 VanDerWaalsContact O-CD1 3.3Å; L235-I239 WeakPolarHBondContact O-CD1 3.02Å; L235-I239 WeakPolarHBondContact O-CG1 3.37Å; L235-I239 PolarHBondContact O-N 2.81Å; C236-I239 PolarHBondContact O-N 2.91Å; I239-N243 VanDerWaalsContact O-CB 3.25Å; I239-N243 WeakPolarHBondContact O-CB 3.36Å; I239-N243 PolarHBondContact O-N 2.82Å; I239-N243 PolarHBondContact O-ND2 2.96Å; I239-L371 HydrophobicContact CG2-CD2 3.98Å
240E79.4Confident73.8Confident44 Ų4455.2 Ų55.221%0.20629%0.287CS..Hα-helixtrans-63.5-50.3176.2-74.3168.9-155.800111.7C236 D237 M238 T242 N243 Q244 L371 S372 S373C236-E240 WeakPolarHBondContact O-CG 3.05Å; C236-E240 PolarHBondContact O-N 2.94Å; D237-E240 PolarHBondContact O-N 2.8Å; M238-E240 VanDerWaalsContact C-N 3.29Å; M238-E240 PolarHBondContact O-N 2.9Å; E240-T242 PolarHBondContact O-N 3Å; E240-N243 CarbonylContact O-C 3.57Å; E240-N243 PolarHBondContact O-N 2.84Å; E240-Q244 VanDerWaalsContact O-CA 3.22Å; E240-Q244 WeakPolarHBondContact O-CA 3.31Å; E240-Q244 PolarHBondContact O-N 2.98Å; E240-L371 HydrophobicContact CG-CB 3.68Å; E240-L371 HydrophobicContact CG-CD1 4.04Å; E240-L371 HydrophobicContact CG-CG 4.35Å; E240-S372 VanDerWaalsContact OE1-C 3.28Å; E240-S372 VanDerWaalsContact OE1-CA 3.3Å; E240-S372 WeakPolarHBondContact OE1-CA 3.31Å; E240-S372 PolarHBondContact OE1-N 3.11Å; E240-S373 PolarHBondContact OE1-N 3.3Å
241H75.6Confident72.7Confident143 Ų14352 Ų5266%0.66227%0.27SS*.Hα-helixtrans-63.7-40.8177.7-175.884.4000112.9D237 M238 Q244D237-H241 WeakPolarHBondContact O-CB 3.37Å; D237-H241 PolarHBondContact O-N 2.93Å; M238-H241 PolarHBondContact O-N 2.69Å; H241-Q244 WeakPolarHBondContact O-CB 3.43Å; H241-Q244 PolarHBondContact O-N 3.05Å
242T71.4Confident71.1Confident42 Ų4255 Ų5526%0.25828%0.281SS..Hα-helixtrans-70.3-36.9-179.2-610000111.7T159 R160 M238 E240T159-T242 VanDerWaalsContact O-CG2 3.32Å; T159-T242 WeakPolarHBondContact O-CG2 3.37Å; R160-T242 HydrophobicContact CB-CG2 4.4Å; M238-T242 WeakPolarHBondContact O-CB 3.38Å; M238-T242 PolarHBondContact O-N 3.13Å; M238-T242 PolarHBondContact O-OG1 2.8Å; E240-T242 PolarHBondContact O-N 3Å
243N68.8Low69.5Low15 Ų1561 Ų618%0.0830%0.304CS..THydrogen-bonded Turntrans-94.812.2178.1-70.3-78.7000113.4F182 I239 E240 A245 A246 V247F182-N243 WeakPolarHBondContact CB-OD1 3.26Å; F182-N243 WeakPolarHBondContact CD2-OD1 3.27Å; F182-N243 WeakPolarHBondContact CE1-ND2 3.35Å; F182-N243 WeakPolarHBondContact CE2-ND2 3.37Å; F182-N243 WeakPolarHBondContact CG-OD1 3.29Å; F182-N243 WeakPolarHBondContact CZ-ND2 3.45Å; I239-N243 VanDerWaalsContact O-CB 3.25Å; I239-N243 WeakPolarHBondContact O-CB 3.36Å; I239-N243 PolarHBondContact O-N 2.82Å; I239-N243 PolarHBondContact O-ND2 2.96Å; E240-N243 CarbonylContact O-C 3.57Å; E240-N243 PolarHBondContact O-N 2.84Å; N243-A245 CarbonylContact O-C 3.57Å; N243-A245 PolarHBondContact O-N 3.16Å; N243-A246 HydrophobicContact CB-CB 4.42Å; N243-A246 CarbonylContact O-C 3.58Å; N243-A246 WeakPolarHBondContact O-CA 3.43Å; N243-A246 WeakPolarHBondContact O-CB 3.4Å; N243-A246 PolarHBondContact O-N 2.99Å; N243-V247 HydrophobicContact CB-CG2 4.09Å; N243-V247 WeakPolarHBondContact O-CG2 3.47Å; N243-V247 PolarHBondContact O-N 2.73Å
244Q67Low68Low86 Ų8665.3 Ų65.340%0.40231%0.314SS..Hα-helixtrans-51.1-36.3-163.7-160.4-172600113.9E240 H241 V247 Y248E240-Q244 VanDerWaalsContact O-CA 3.22Å; E240-Q244 WeakPolarHBondContact O-CA 3.31Å; E240-Q244 PolarHBondContact O-N 2.98Å; H241-Q244 WeakPolarHBondContact O-CB 3.43Å; H241-Q244 PolarHBondContact O-N 3.05Å; Q244-V247 PolarHBondContact O-N 2.76Å; Q244-Y248 HydrophobicContact CG-CD2 3.9Å; Q244-Y248 HydrophobicContact CG-CE2 3.54Å; Q244-Y248 PolarHBondContact NE2-OH 2.92Å; Q244-Y248 VanDerWaalsContact NE2-OH 3.1Å; Q244-Y248 WeakPolarHBondContact O-CB 3.33Å; Q244-Y248 WeakPolarHBondContact O-CD2 3.17Å; Q244-Y248 PolarHBondContact O-N 3.42Å
245A59.3Low66.6Low76 Ų7667.3 Ų67.363%0.62833%0.325SS*.Hα-helixtrans-65.3-37.5173.500000114.2N243 Q249N243-A245 CarbonylContact O-C 3.57Å; N243-A245 PolarHBondContact O-N 3.16Å; A245-Q249 VanDerWaalsContact O-CB 3.28Å; A245-Q249 WeakPolarHBondContact O-CB 3.18Å; A245-Q249 PolarHBondContact O-N 2.99Å
246A58.8Low65.3Low32 Ų3271.3 Ų71.326%0.26435%0.349SS..Hα-helixtrans-79-26.2174.700000113.1N243 A250 R368N243-A246 HydrophobicContact CB-CB 4.42Å; N243-A246 CarbonylContact O-C 3.58Å; N243-A246 WeakPolarHBondContact O-CA 3.43Å; N243-A246 WeakPolarHBondContact O-CB 3.4Å; N243-A246 PolarHBondContact O-N 2.99Å; A246-A250 WeakPolarHBondContact O-CB 3.48Å; A246-A250 PolarHBondContact O-N 3.29Å; A246-R368 PolarHBondContact O-NH1 3.36Å
247V60.1Low63.7Low29 Ų2974.4 Ų74.418%0.17637%0.37CS..Hα-helixtrans-67.2-57.8167.3-169.80000109N243 Q244 Q249 A250 D251 L371N243-V247 HydrophobicContact CB-CG2 4.09Å; N243-V247 WeakPolarHBondContact O-CG2 3.47Å; N243-V247 PolarHBondContact O-N 2.73Å; Q244-V247 PolarHBondContact O-N 2.76Å; V247-Q249 VanDerWaalsContact C-N 3.3Å; V247-Q249 PolarHBondContact O-N 3.46Å; V247-A250 CarbonylContact O-C 3.59Å; V247-A250 WeakPolarHBondContact O-CA 3.47Å; V247-A250 WeakPolarHBondContact O-CB 3.41Å; V247-A250 PolarHBondContact O-N 3.37Å; V247-D251 PolarHBondContact O-N 3.14Å; V247-L371 HydrophobicContact CB-CD1 4.44Å; V247-L371 HydrophobicContact CG1-CD1 4.28Å; V247-L371 HydrophobicContact CG2-CD1 3.44Å; V247-L371 VanDerWaalsContact CG2-CD1 3.44Å
248Y56.9Low62.1Low131 Ų13174.9 Ų74.951%0.51437%0.372SS..Hα-helixtrans-54-43175-76.8-46.6000112.4Q244 A250 D251 W252Q244-Y248 HydrophobicContact CG-CD2 3.9Å; Q244-Y248 HydrophobicContact CG-CE2 3.54Å; Q244-Y248 PolarHBondContact NE2-OH 2.92Å; Q244-Y248 VanDerWaalsContact NE2-OH 3.1Å; Q244-Y248 WeakPolarHBondContact O-CB 3.33Å; Q244-Y248 WeakPolarHBondContact O-CD2 3.17Å; Q244-Y248 PolarHBondContact O-N 3.42Å; Y248-A250 PolarHBondContact O-N 3.32Å; Y248-D251 PolarHBondContact O-N 3.15Å; Y248-W252 VanDerWaalsContact O-CB 3.24Å; Y248-W252 WeakPolarHBondContact O-CB 3.34Å; Y248-W252 PolarHBondContact O-N 2.85Å
249Q55.1Low60.4Low98 Ų9875.3 Ų75.346%0.45838%0.381SS..Hα-helixtrans-63.6-30.9177.3-170.1-178.367.200112.5A245 V247 R253A245-Q249 VanDerWaalsContact O-CB 3.28Å; A245-Q249 WeakPolarHBondContact O-CB 3.18Å; A245-Q249 PolarHBondContact O-N 2.99Å; V247-Q249 VanDerWaalsContact C-N 3.3Å; V247-Q249 PolarHBondContact O-N 3.46Å; Q249-R253 VanDerWaalsContact CD-NH2 3.33Å; Q249-R253 WeakPolarHBondContact O-CB 3.17Å; Q249-R253 WeakPolarHBondContact O-CD 3.33Å; Q249-R253 WeakPolarHBondContact O-CG 3.47Å; Q249-R253 PolarHBondContact O-N 3Å; Q249-R253 VanDerWaalsContact O-N 3.08Å; Q249-R253 VanDerWaalsContact OE1-NH2 3.08Å
250A56.6Low58.6Low12 Ų1279.1 Ų79.110%0.09941%0.407CS..Hα-helixtrans-78.3-40.8175.800000112.7A246 V247 Y248 R253 R254 R368A246-A250 WeakPolarHBondContact O-CB 3.48Å; A246-A250 PolarHBondContact O-N 3.29Å; V247-A250 CarbonylContact O-C 3.59Å; V247-A250 WeakPolarHBondContact O-CA 3.47Å; V247-A250 WeakPolarHBondContact O-CB 3.41Å; V247-A250 PolarHBondContact O-N 3.37Å; Y248-A250 PolarHBondContact O-N 3.32Å; A250-R253 PolarHBondContact O-N 2.86Å; A250-R254 WeakPolarHBondContact O-CB 3.41Å; A250-R254 PolarHBondContact O-N 2.91Å; A250-R368 HydrophobicContact CB-CB 3.87Å; A250-R368 HydrophobicContact CB-CG 3.95Å
251D56Low57Low64 Ų6481 Ų8134%0.34242%0.418SS..Hα-helixtrans-68.2-38.1174.5-74.2-46.3000111.7V247 Y248 R254 L255V247-D251 PolarHBondContact O-N 3.14Å; Y248-D251 PolarHBondContact O-N 3.15Å; D251-R254 CarbonylContact O-C 3.59Å; D251-R254 WeakPolarHBondContact O-CB 3.49Å; D251-R254 PolarHBondContact O-N 3.26Å; D251-L255 WeakPolarHBondContact O-CB 3.28Å; D251-L255 VanDerWaalsContact O-CG 3.29Å; D251-L255 WeakPolarHBondContact O-CG 3.47Å; D251-L255 PolarHBondContact O-N 3.09Å
252W51.3Low55.8Low170 Ų17079.3 Ų79.364%0.64441%0.413SS*.Hα-helixtrans-59.7-48.8168.4-86.8110.3000111.5Y248 R254 L255 T256Y248-W252 VanDerWaalsContact O-CB 3.24Å; Y248-W252 WeakPolarHBondContact O-CB 3.34Å; Y248-W252 PolarHBondContact O-N 2.85Å; W252-R254 VanDerWaalsContact C-N 3.26Å; W252-R254 PolarHBondContact O-N 3.24Å; W252-L255 PolarHBondContact O-N 2.92Å; W252-T256 WeakPolarHBondContact O-CB 3.5Å; W252-T256 PolarHBondContact O-N 3.08Å; W252-T256 PolarHBondContact O-OG1 2.94Å
253R51.4Low54.4Low126 Ų12683.1 Ų83.148%0.47543%0.432SS..Hα-helixtrans-57.7-39.6174.2-77.7170-175.2167.37.4111.9Q249 A250 C257Q249-R253 VanDerWaalsContact CD-NH2 3.33Å; Q249-R253 WeakPolarHBondContact O-CB 3.17Å; Q249-R253 WeakPolarHBondContact O-CD 3.33Å; Q249-R253 WeakPolarHBondContact O-CG 3.47Å; Q249-R253 PolarHBondContact O-N 3Å; Q249-R253 VanDerWaalsContact O-N 3.08Å; Q249-R253 VanDerWaalsContact OE1-NH2 3.08Å; A250-R253 PolarHBondContact O-N 2.86Å; R253-C257 WeakPolarHBondContact O-CB 3.29Å; R253-C257 PolarHBondContact O-N 3.32Å; R253-C257 PolarHBondContact O-SG 2.86Å
254R50.7Low52.9Low138 Ų13884.3 Ų84.352%0.52144%0.441SS..Hα-helixtrans-66.9-44.3177.1179.3-179171.1-151.8-6.7111.9A250 D251 W252 C257 L258A250-R254 WeakPolarHBondContact O-CB 3.41Å; A250-R254 PolarHBondContact O-N 2.91Å; D251-R254 CarbonylContact O-C 3.59Å; D251-R254 WeakPolarHBondContact O-CB 3.49Å; D251-R254 PolarHBondContact O-N 3.26Å; W252-R254 VanDerWaalsContact C-N 3.26Å; W252-R254 PolarHBondContact O-N 3.24Å; R254-C257 PolarHBondContact O-N 3.32Å; R254-L258 HydrophobicContact CG-CD1 4.15Å; R254-L258 WeakPolarHBondContact O-CB 3.19Å; R254-L258 VanDerWaalsContact O-CG 3.3Å; R254-L258 WeakPolarHBondContact O-CG 3.44Å; R254-L258 PolarHBondContact O-N 3.43Å
255L56.1Low51.6Low104 Ų10485.7 Ų85.755%0.54546%0.458SS..Hα-helixtrans-63.5-44.7175.3-73.1169000111.1D251 W252 C257 L258 A259D251-L255 WeakPolarHBondContact O-CB 3.28Å; D251-L255 VanDerWaalsContact O-CG 3.29Å; D251-L255 WeakPolarHBondContact O-CG 3.47Å; D251-L255 PolarHBondContact O-N 3.09Å; W252-L255 PolarHBondContact O-N 2.92Å; L255-C257 PolarHBondContact O-N 3.06Å; L255-L258 PolarHBondContact O-N 3.26Å; L255-A259 WeakPolarHBondContact O-CB 3.48Å; L255-A259 PolarHBondContact O-N 3.37Å
256T59.4Low50.5Low85 Ų8589.1 Ų89.152%0.52147%0.465SS..Hα-helixtrans-63-40.6174.7-53.70000111.9W252 A259 S260W252-T256 WeakPolarHBondContact O-CB 3.5Å; W252-T256 PolarHBondContact O-N 3.08Å; W252-T256 PolarHBondContact O-OG1 2.94Å; T256-A259 PolarHBondContact O-N 3.46Å; T256-S260 WeakPolarHBondContact O-CB 3.44Å; T256-S260 PolarHBondContact O-N 3.18Å; T256-S260 PolarHBondContact O-OG 3.2Å
257C51.5Low49.2Very low68 Ų6894 Ų9446%0.45950%0.496SS..Hα-helixtrans-64.8-38.2174.3-74.10000112.6R253 R254 L255 S260 L261R253-C257 WeakPolarHBondContact O-CB 3.29Å; R253-C257 PolarHBondContact O-N 3.32Å; R253-C257 PolarHBondContact O-SG 2.86Å; R254-C257 PolarHBondContact O-N 3.32Å; L255-C257 PolarHBondContact O-N 3.06Å; C257-S260 WeakPolarHBondContact CA-OG 3.35Å; C257-S260 PolarHBondContact O-OG 3.24Å; C257-L261 WeakPolarHBondContact O-CG 3.44Å; C257-L261 PolarHBondContact O-N 2.88Å
258L49.8Very low48.1Very low80 Ų8097.5 Ų97.542%0.41952%0.522SS..Hα-helixtrans-69.7-42175.6-72.2168.3000111.6R254 L255 L261 I262R254-L258 HydrophobicContact CG-CD1 4.15Å; R254-L258 WeakPolarHBondContact O-CB 3.19Å; R254-L258 VanDerWaalsContact O-CG 3.3Å; R254-L258 WeakPolarHBondContact O-CG 3.44Å; R254-L258 PolarHBondContact O-N 3.43Å; L255-L258 PolarHBondContact O-N 3.26Å; L258-L261 WeakPolarHBondContact O-CB 3.41Å; L258-L261 PolarHBondContact O-N 3.09Å; L258-I262 VanDerWaalsContact O-CG1 3.32Å; L258-I262 WeakPolarHBondContact O-CG1 3.47Å; L258-I262 PolarHBondContact O-N 2.9Å
259A47.3Very low47Very low38 Ų38101.1 Ų101.131%0.31454%0.541SS..Hα-helixtrans-58.8-49.717200000110.8L255 T256 L261 I262 D263L255-A259 WeakPolarHBondContact O-CB 3.48Å; L255-A259 PolarHBondContact O-N 3.37Å; T256-A259 PolarHBondContact O-N 3.46Å; A259-L261 PolarHBondContact O-N 2.86Å; A259-I262 CarbonylContact O-C 3.56Å; A259-I262 PolarHBondContact O-N 3.46Å; A259-D263 WeakPolarHBondContact O-CB 3.39Å; A259-D263 VanDerWaalsContact O-CG 3.32Å; A259-D263 PolarHBondContact O-N 2.89Å
260S47.1Very low45.8Very low81 Ų81100.2 Ų100.257%0.56656%0.557SS**Hα-helixtrans-64.2-10.1177.566.60000115.5T256 C257T256-S260 WeakPolarHBondContact O-CB 3.44Å; T256-S260 PolarHBondContact O-N 3.18Å; T256-S260 PolarHBondContact O-OG 3.2Å; C257-S260 WeakPolarHBondContact CA-OG 3.35Å; C257-S260 PolarHBondContact O-OG 3.24Å
261L47.5Very low44.6Very low83 Ų83111 Ų11144%0.43560%0.595SS.*Hα-helixtrans-89.7-45.8168.8-75.5165.7000110.3C257 L258 A259 S264 P282C257-L261 WeakPolarHBondContact O-CG 3.44Å; C257-L261 PolarHBondContact O-N 2.88Å; L258-L261 WeakPolarHBondContact O-CB 3.41Å; L258-L261 PolarHBondContact O-N 3.09Å; A259-L261 PolarHBondContact O-N 2.86Å; L261-S264 PolarHBondContact O-OG 2.85Å; L261-P282 HydrophobicContact CB-CG 4.09Å; L261-P282 WeakPolarHBondContact O-CG 3.45Å
262I50Low43.6Very low107 Ų107115.5 Ų115.555%0.54962%0.619SS.*Hα-helixtrans-68.1-41-179.3-65.4163.4000111.7L258 A259 S264L258-I262 VanDerWaalsContact O-CG1 3.32Å; L258-I262 WeakPolarHBondContact O-CG1 3.47Å; L258-I262 PolarHBondContact O-N 2.9Å; A259-I262 CarbonylContact O-C 3.56Å; A259-I262 PolarHBondContact O-N 3.46Å; I262-S264 PolarHBondContact O-N 2.95Å
263D42.6Very low42.7Very low123 Ų123111.8 Ų111.866%0.65862%0.619SS**THydrogen-bonded Turntrans-74.235.1177.8-60-35.3000112.6A259 P265A259-D263 WeakPolarHBondContact O-CB 3.39Å; A259-D263 VanDerWaalsContact O-CG 3.32Å; A259-D263 PolarHBondContact O-N 2.89Å; D263-P265 WeakPolarHBondContact O-CD 3.25Å
264S35.7Very low41.6Very low40 Ų40112.3 Ų112.328%0.2863%0.631SS.*  trans-66.6119.1166.5-68.50000108.1L261 I262L261-S264 PolarHBondContact O-OG 2.85Å; I262-S264 PolarHBondContact O-N 2.95Å
265P39.4Very low40.8Very low115 Ų115114.4 Ų114.475%0.74765%0.647SS**  trans-65139.4-172.926-34.7000111.5D263 C267D263-P265 WeakPolarHBondContact O-CD 3.25Å; P265-C267 PolarHBondContact O-N 2.43Å; P265-C267 VanDerWaalsContact O-N 3.09Å
266D37.5Very low39.4Very low147 Ų147116.4 Ų116.479%0.78666%0.664SS**  trans-52.8113.2-178.2-82.1-64.6000112.4S268D266-S268 PolarHBondContact O-N 2.98Å
267C31.4Very low38Very low134 Ų134117.5 Ų117.591%0.90567%0.67SS**  trans-72.473.3172.2-79.20000110.7P265 K269P265-C267 PolarHBondContact O-N 2.43Å; P265-C267 VanDerWaalsContact O-N 3.09Å; C267-K269 PolarHBondContact O-N 2.63Å
268S37.4Very low36.8Very low104 Ų104119.5 Ų119.573%0.72769%0.685SS**  trans-68.597.7-17762.90000112.5D266D266-S268 PolarHBondContact O-N 2.98Å
269K33.1Very low35.8Very low207 Ų207121 Ų12190%0.969%0.692SS**  trans55.483.6152-58.9179.7-178175.70116.8C267C267-K269 PolarHBondContact O-N 2.63Å
270G30.7Very low34.8Very low78 Ų78125 Ų12580%0.80472%0.717SS**  trans-132111.9153.500000109.9
271R31.1Very low33.9Very low239 Ų239126.1 Ų126.190%0.90272%0.716SS**  trans-78.5125.5167.3-68.4179.4178.7168.7-1107.6
272D34.4Very low33Very low159 Ų159124.5 Ų124.585%0.8571%0.711SS**  -175.5177.8110.8-95.3-17.8000113.5
273S32.6Very low31.9Very low91 Ų91127 Ų12764%0.63672%0.724SS**  trans-71.6153.2-148.980.20000117.6
274N28.7Very low31.4Very low137 Ų137128.9 Ų128.973%0.73373%0.728SS**  trans61.467.3146.5-63-46.1000118.4
275Q34.4Very low30.9Very low182 Ų182131.9 Ų131.985%0.8575%0.749SS**  trans-145.9122.7142.1-117.8163.8103.900111.7V277Q275-V277 PolarHBondContact O-N 2.79Å
276T26.7Very low30.5Very low146 Ų146134.5 Ų134.590%0.89676%0.755SS**  trans-76.774.3-179.9-430000110.3S278T276-S278 PolarHBondContact O-N 2.99Å
277V28.4Very low30Very low109 Ų109132.6 Ų132.666%0.66175%0.748SS**  trans-66.9106.3173.6-167.50000107.9Q275 I279Q275-V277 PolarHBondContact O-N 2.79Å; V277-I279 HydrophobicContact CB-CG1 4.14Å; V277-I279 HydrophobicContact CG1-CD1 4.11Å; V277-I279 HydrophobicContact CG1-CG1 3.53Å; V277-I279 PolarHBondContact O-N 2.86Å
278S26.9Very low29.7Very low109 Ų109132 Ų13276%0.76274%0.736SS**  trans-72.962.1178.3175.60000111.1T276 C280T276-S278 PolarHBondContact O-N 2.99Å; S278-C280 PolarHBondContact O-N 3.5Å
279I29.9Very low29.3Very low112 Ų112136.1 Ų136.157%0.57474%0.744SS**  trans-74.3122.7170.9-43.2-178.2000107.7V277 N281V277-I279 HydrophobicContact CB-CG1 4.14Å; V277-I279 HydrophobicContact CG1-CD1 4.11Å; V277-I279 HydrophobicContact CG1-CG1 3.53Å; V277-I279 PolarHBondContact O-N 2.86Å; I279-N281 HydrophobicContact CG2-CB 4.13Å; I279-N281 VanDerWaalsContact CG2-CG 3.47Å; I279-N281 WeakPolarHBondContact CG2-OD1 3.37Å; I279-N281 PolarHBondContact O-N 2.85Å
280C25.5Very low28.9Very low123 Ų123133.7 Ų133.783%0.83173%0.734SS**  trans-76.458.6172.8-63.30000111S278S278-C280 PolarHBondContact O-N 3.5Å
281N27.9Very low28.8Very low104 Ų104140.9 Ų140.956%0.55674%0.738SS**  trans-91.1151.6178.3-88.416.7000111.8I279I279-N281 HydrophobicContact CG2-CB 4.13Å; I279-N281 VanDerWaalsContact CG2-CG 3.47Å; I279-N281 WeakPolarHBondContact CG2-OD1 3.37Å; I279-N281 PolarHBondContact O-N 2.85Å
282P28Very low28.5Very low49 Ų49133.6 Ų133.632%0.31872%0.724SS.*  trans-84.7168.4-170.235.8-37.8000113.6L261 H284L261-P282 HydrophobicContact CB-CG 4.09Å; L261-P282 WeakPolarHBondContact O-CG 3.45Å; P282-H284 PolarHBondContact O-N 2.95Å
283I27.7Very low28.3Very low160 Ų160133.7 Ų133.782%0.82172%0.724SS**  trans-19.3119.1168.4-53.9170.5000113.8
284H31.7Very low28.1Very low162 Ų162133 Ų13375%0.7572%0.724SS**  trans-126.6128.5158.8-108.141000109.6P282P282-H284 PolarHBondContact O-N 2.95Å
285S26.3Very low28.1Very low102 Ų102132.1 Ų132.171%0.71372%0.724SS**  trans-98.5131178.350.30000110.2
286I30.8Very low27.9Very low171 Ų171131.6 Ų131.688%0.87772%0.721SS**  trans-127121155.3-63.4-175.9000107.9
287T26Very low27.9Very low106 Ų106131.3 Ų131.365%0.6571%0.714SS**  trans-83.6159.5178.2-15.40000110.8
288N25.7Very low27.9Very low121 Ų121131.8 Ų131.865%0.64772%0.718SS**  trans59.5115.3158.1-57.1-18.5000118.1
289H29.6Very low27.8Very low192 Ų192130.7 Ų130.789%0.88972%0.715SS**  -137.7138.1118.4-114.9-82.9000110.1
290F24.9Very low27.6Very low156 Ų156131.3 Ų131.368%0.68472%0.724SS**  trans-73.4149.4175.7-74.6-116.7000110
291Y28.1Very low27.6Very low229 Ų229133.1 Ų133.190%0.89872%0.724SS**  -165.6154.6101.9-108.8-78.6000111.6
292S24.6Very low27.4Very low86 Ų86133 Ų13360%0.60173%0.73SS**  trans-98.6176-170.4-53.70000113.2
293N29.8Very low27.5Very low160 Ų160136.5 Ų136.586%0.85676%0.757SS**  trans95.6145.6162.9-53.9-13.8000116.7
294A28.6Very low27.4Very low77 Ų77134.9 Ų134.964%0.63675%0.754SS**  cis-165.4149.5-26.100000110.5
295T28.3Very low27.3Very low118 Ų118134.7 Ų134.772%0.72475%0.754SS**  trans56.2136.6150.3390000122.3
296Q31.5Very low27.5Very low171 Ų171139.3 Ų139.380%0.79976%0.757SS**  trans71.3156.7147.7-68.6171.23100118.6
297N25.3Very low27.4Very low141 Ų141137.5 Ų137.575%0.75475%0.748SS**  cis-171.7161.6-45.7-118.9-1.1000108.6
298T28.7Very low27.6Very low119 Ų119137.6 Ų137.673%0.7375%0.745SS**  trans55.586.5148.4-49.20000119.1
299A25.7Very low27.9Very low85 Ų85139.3 Ų139.370%0.70275%0.747SS**  64.7148.9114.400000123.6
300V24.6Very low27.9Very low126 Ų126135.4 Ų135.476%0.76474%0.74SS**  trans85.4130.9137.6153.70000120.6
301I27Very low28.1Very low161 Ų161135.1 Ų135.183%0.82674%0.744SS**  trans76.9149.2162.6-79.5162.4000119
302S23.6Very low28.3Very low100 Ų100131.1 Ų131.170%0.69974%0.738SS**  trans-86.9161.6-172.552.20000114.3
303S29Very low28.5Very low124 Ų124133.8 Ų133.887%0.86775%0.745SS**  -155.7147.7126.9-97.20000111.5
304T25.4Very low28.5Very low126 Ų126135 Ų13577%0.77375%0.746SS**  trans-93.3157.3166.642.20000110.5
305E29.3Very low28.4Very low158 Ų158137.1 Ų137.174%0.73875%0.751SS**  163.7172121.3-88.1-174.616600113.2
306Y31Very low28.5Very low198 Ų198139.8 Ų139.878%0.77676%0.758SS**  trans71.3147.5172.4-66.4-93.3000119.7
307L28.4Very low28.2Very low134 Ų134138.3 Ų138.370%0.70275%0.753SS**  -170.1174.2-56-113167.4000110.3
308D31.3Very low28.5Very low108 Ų108138.7 Ų138.758%0.57875%0.754SS**  trans69.3143.5162-79.512.8000119.6
309K31.8Very low28.6Very low157 Ų157138.8 Ų138.868%0.68375%0.75SS**  cis-164.6169.8-15.6-124.5178.4-167.381.80110.8
310C29.6Very low28.7Very low110 Ų110140 Ų14074%0.74375%0.753SS**  trans65119.7169.2-58.80000116.7
311I29.2Very low29.1Very low150 Ų150139.6 Ų139.677%0.76975%0.753SS**  cis85.3141.619.7-41.8171.4000114.6
312N32.1Very low29.6Very low145 Ų145137 Ų13778%0.77575%0.746SS**  trans95.5139.1179.2-58.919.6000116
313D27.7Very low29.7Very low142 Ų142137 Ų13776%0.75975%0.747SS**  cis-164.7-169.8-33.5-133.4-46.3000111.5
314E30.9Very low29.7Very low186 Ų186135.7 Ų135.787%0.86974%0.737SS**  trans80.1106.4165.3-61.6-150.9123.100119.6
315V25.9Very low29.8Very low121 Ų121136.7 Ų136.773%0.73374%0.738SS**  trans-88.7140.5165.9169.40000110.3M317V315-M317 HydrophobicContact CG1-CG 3.77Å
316I30.7Very low29.8Very low173 Ų173138 Ų13889%0.88774%0.741SS**  trans-128.2114.8145.2-62.5-175.3000109.3
317M25.9Very low29.5Very low140 Ų140135.4 Ų135.469%0.6974%0.74SS**  trans-88.3170.2163.8-58.1-158-58.100110V315V315-M317 HydrophobicContact CG1-CG 3.77Å
318I31.4Very low29.4Very low150 Ų150134 Ų13477%0.76974%0.738SS**  -177.1116119.9-94.6157.3000112.7
319N30.8Very low29.2Very low121 Ų121134.5 Ų134.565%0.64774%0.744SS**  trans55106.2137.4-52.1-11000122.9
320S27Very low29Very low110 Ų110137.5 Ų137.577%0.76975%0.752SS**  90.5131.7112.7-60.10000122.1
321P33.4Very low28.9Very low118 Ų118138.8 Ų138.877%0.76675%0.751SS**  trans-93.8-154.7160.645.1-37.9000108.8
322P36.6Very low29Very low105 Ų105138.1 Ų138.168%0.68275%0.754SS**  cis-139.7-177.2-5.641.5-22.4000117
323S27.2Very low28.7Very low102 Ų102135.5 Ų135.571%0.71375%0.753SS**  trans98.3138.8134.4810000122.8
324S28Very low28.9Very low95 Ų95133.8 Ų133.866%0.66476%0.758SS**  trans92.6113.6143.484.70000121.1
325N27.7Very low28.7Very low147 Ų147132.3 Ų132.379%0.78675%0.751SS**  77.8132127.6-68.7-23.7000123.8
326K28.3Very low28.8Very low185 Ų185136.2 Ų136.280%0.80476%0.764SS**  trans83.7100.3137.6-80.4-179.7175.6-179.30121.8
327L26.1Very low28.6Very low145 Ų145134.8 Ų134.876%0.75975%0.753SS**  93.1149.4104.4-144.679.8000120.6
328T26.8Very low28.7Very low105 Ų105134.1 Ų134.164%0.64475%0.751SS**  trans75.798.6150.322.90000121.2
329T25.9Very low28.7Very low117 Ų117134.9 Ų134.972%0.71875%0.751SS**  45.3127.8123.260.50000121.4
330R28.3Very low28.8Very low221 Ų221134.2 Ų134.283%0.83475%0.753SS**  -170.2155.699-102.7169.9174.8157.5-2.3112.4
331N28.2Very low28.9Very low137 Ų137135.9 Ų135.973%0.73375%0.754SS**  trans24153.4139.2-47.12.6000119.6
332T30.8Very low28.7Very low136 Ų136138.9 Ų138.983%0.83476%0.757SS**  cis-150.915828.3-45.20000111.2
333A25.9Very low28.3Very low90 Ų90137.4 Ų137.474%0.74476%0.761SS**  trans-92.3162.2173.500000112.6
334A32Very low28.4Very low105 Ų105137.7 Ų137.787%0.86876%0.764SS**  trans-135.2127.3157.600000108.3
335Q26.7Very low28.7Very low156 Ų156142.2 Ų142.273%0.72977%0.771SS**  trans-94.4151.5179.1-67160.3-93.100110.5
336M27.5Very low29Very low202 Ų202145.3 Ų145.3100%0.99578%0.778SS**  trans-144.4156131.9-121.3177-178.800109.4
337E26.9Very low29.1Very low143 Ų143142.6 Ų142.667%0.66878%0.776SS**  trans-147.3169.5-144.7-155.2-177.8162.200111.2
338I27.6Very low29.4Very low127 Ų127144.3 Ų144.365%0.65178%0.778SS**  trans57.3124.3168.16.2179.2000115.8
339H31.4Very low29.5Very low166 Ų166147.7 Ų147.777%0.76979%0.786SS**  cis-151.1158.339.7-89.8-91.9000113.6
340P31.8Very low29.5Very low106 Ų106148.9 Ų148.969%0.68878%0.784SS**  trans-97.2143170.236.3-30.6000113.1
341N29.8Very low29.5Very low146 Ų146145.3 Ų145.378%0.78178%0.779SS**  trans-164.1156135.4-119.3-8.7000115.2
342E29.5Very low29.5Very low180 Ų180145.7 Ų145.784%0.84178%0.776SS**  trans33.1128.6152.9-59-173.8142.800122
343G27.9Very low29.5Very low74 Ų74144.6 Ų144.676%0.76377%0.769SS**  trans15799149.900000119.3
344S29.5Very low29.7Very low109 Ų109146.5 Ų146.576%0.76277%0.767SS**  trans64.3115.3143.3-65.90000122.7
345K33.2Very low30.2Very low190 Ų190143.7 Ų143.783%0.82674%0.741SS**  trans64.790.8137.2-58.9171.8-174.6169.90118.4V347K345-V347 PolarHBondContact O-N 2.7Å
346K34.2Very low30.8Very low212 Ų212141.3 Ų141.392%0.92274%0.737SS**  trans-61114.9148.5-83.1-175.5173.81780109.6K348K346-K348 PolarHBondContact O-N 2.9Å
347V31.7Very low31Very low127 Ų127135.4 Ų135.477%0.7772%0.716SS**  trans-60.9131.3167.1175.70000108.6K345 E349K345-V347 PolarHBondContact O-N 2.7Å; V347-E349 HydrophobicContact CG1-CG 4.2Å
348K31.1Very low31.7Very low182 Ų182132.3 Ų132.379%0.79170%0.703SS**  trans-10899.4174.3-171.3-175.8-176.5-170.20107K346 E350K346-K348 PolarHBondContact O-N 2.9Å; K348-E350 PolarHBondContact O-N 2.84Å
349E29Very low32.1Very low175 Ų175133.2 Ų133.282%0.81870%0.699SS**  trans-69.181.8177.1-69.1-172.7127.600110.6V347 I351V347-E349 HydrophobicContact CG1-CG 4.2Å; E349-I351 PolarHBondContact O-N 3.25Å
350E26.3Very low32.3Very low143 Ų143134.4 Ų134.467%0.66870%0.697SS**  trans-75.796.1161.4-171.3157.8-148.900106.7K348 H352K348-E350 PolarHBondContact O-N 2.84Å; E350-H352 VanDerWaalsContact C-N 3.31Å; E350-H352 PolarHBondContact O-N 2.81Å
351I28.5Very low32.4Very low146 Ų146136.3 Ų136.375%0.74969%0.694SS**  trans-64.693-179.1-58.2178000108.8E349 V353E349-I351 PolarHBondContact O-N 3.25Å; I351-V353 HydrophobicContact CG2-CG2 4.16Å; I351-V353 PolarHBondContact O-N 2.83Å
352H27.9Very low32.6Very low144 Ų144134.6 Ų134.667%0.66768%0.677SS**  trans-76.499.9177.6-150.3-50.7000107.9E350 D354E350-H352 VanDerWaalsContact C-N 3.31Å; E350-H352 PolarHBondContact O-N 2.81Å; H352-D354 IonicContact CE1-OD1 2.76Å; H352-D354 PolarHBondContact CE1-OD1 3.05Å; H352-D354 IonicContact CE1-OD2 3.59Å; H352-D354 PolarHBondContact CE1-OD2 2.81Å; H352-D354 IonicContact ND1-OD1 3.91Å; H352-D354 PolarHBondContact ND1-OD1 3.13Å; H352-D354 IonicContact ND1-OD2 2.62Å; H352-D354 PolarHBondContact O-N 3.23Å
353V31.8Very low32.9Very low113 Ų113129.5 Ų129.569%0.68566%0.658SS**  trans-78.163.1178.4-170.40000109.8I351 S355I351-V353 HydrophobicContact CG2-CG2 4.16Å; I351-V353 PolarHBondContact O-N 2.83Å; V353-S355 PolarHBondContact O-N 2.94Å
354D29.6Very low33.1Very low131 Ų131130.7 Ų130.770%0.70165%0.654SS**  trans-91.785.8174.6-95.325.8000110H352H352-D354 IonicContact CE1-OD1 2.76Å; H352-D354 PolarHBondContact CE1-OD1 3.05Å; H352-D354 IonicContact CE1-OD2 3.59Å; H352-D354 PolarHBondContact CE1-OD2 2.81Å; H352-D354 IonicContact ND1-OD1 3.91Å; H352-D354 PolarHBondContact ND1-OD1 3.13Å; H352-D354 IonicContact ND1-OD2 2.62Å; H352-D354 PolarHBondContact O-N 3.23Å
355S42.1Very low33Very low46 Ų46130.7 Ų130.732%0.32264%0.643SS.*  trans-151.7133.9155.996.60000113V353 S357 D358V353-S355 PolarHBondContact O-N 2.94Å; S355-S357 PolarHBondContact O-N 3.43Å; S355-S357 WeakPolarHBondContact OG-CB 3.47Å; S355-S357 PolarHBondContact OG-N 2.84Å; S355-D358 PolarHBondContact OG-N 3.02Å; S355-D358 PolarHBondContact OG-OD2 3.47Å
356V40.1Very low33.2Very low105 Ų105124.4 Ų124.464%0.63662%0.617SS**Hα-helixtrans-66.7-18165.2176.60000110.6R360V356-R360 PolarHBondContact O-N 3.01Å
357S31.7Very low33.1Very low79 Ų79117 Ų11755%0.55259%0.591SS**Hα-helixtrans-63.7-44-179.4-44.50000112.6S355 R360 K361S355-S357 PolarHBondContact O-N 3.43Å; S355-S357 WeakPolarHBondContact OG-CB 3.47Å; S355-S357 PolarHBondContact OG-N 2.84Å; S357-R360 WeakPolarHBondContact O-CB 3.41Å; S357-R360 PolarHBondContact O-N 2.65Å; S357-K361 PolarHBondContact O-N 3.25Å
358D42.2Very low33.3Very low77 Ų77115.1 Ų115.141%0.41257%0.57SS.*Hα-helixtrans-71-33.6-178.1-68.5-52.2000112.6S355 R360 K361 W362S355-D358 PolarHBondContact OG-N 3.02Å; S355-D358 PolarHBondContact OG-OD2 3.47Å; D358-R360 VanDerWaalsContact C-N 3.35Å; D358-R360 PolarHBondContact O-N 2.81Å; D358-K361 PolarHBondContact O-N 2.92Å; D358-W362 PolarHBondContact O-N 2.76Å
359R36Very low33.8Very low146 Ų146112.2 Ų112.255%0.55155%0.554SS**Hα-helixtrans-57.3-46.5167.6-87.3-169.9172.7-145.7-1.5111.5K361 W362 V363R359-K361 VanDerWaalsContact C-N 3.35Å; R359-K361 PolarHBondContact O-N 3.4Å; R359-W362 PolarHBondContact O-N 2.8Å; R359-V363 WeakPolarHBondContact O-CG2 3.19Å; R359-V363 PolarHBondContact O-N 3.24Å
360R33.7Very low34.2Very low192 Ų192111.6 Ų111.673%0.72554%0.544SS*.Hα-helixtrans-62.3-41.1177-68.6-175.7-177.1-169.61.9111.9V356 S357 D358 S364V356-R360 PolarHBondContact O-N 3.01Å; S357-R360 WeakPolarHBondContact O-CB 3.41Å; S357-R360 PolarHBondContact O-N 2.65Å; D358-R360 VanDerWaalsContact C-N 3.35Å; D358-R360 PolarHBondContact O-N 2.81Å; R360-S364 VanDerWaalsContact O-CB 3.27Å; R360-S364 WeakPolarHBondContact O-CB 3.27Å; R360-S364 PolarHBondContact O-N 3.11Å
361K34.9Very low34.9Very low145 Ų145107.7 Ų107.763%0.6353%0.527SS*.Hα-helixtrans-61.1-46.5175.6-113.1177.8178.9176.90112S357 D358 R359 S364 M365S357-K361 PolarHBondContact O-N 3.25Å; D358-K361 PolarHBondContact O-N 2.92Å; R359-K361 VanDerWaalsContact C-N 3.35Å; R359-K361 PolarHBondContact O-N 3.4Å; K361-S364 PolarHBondContact O-N 2.88Å; K361-M365 WeakPolarHBondContact O-CG 3.42Å; K361-M365 PolarHBondContact O-N 3.43Å; K361-M365 VanDerWaalsContact O-N 3.14Å
362W34.6Very low35.3Very low111 Ų111102.1 Ų102.142%0.4250%0.501SS..Hα-helixtrans-61.1-49.4176.6-98.984.8000112.7D358 R359 S364 M365 H366D358-W362 PolarHBondContact O-N 2.76Å; R359-W362 PolarHBondContact O-N 2.8Å; W362-S364 VanDerWaalsContact C-N 3.26Å; W362-S364 PolarHBondContact O-N 3.28Å; W362-M365 PolarHBondContact O-N 3.11Å; W362-M365 VanDerWaalsContact O-N 3.17Å; W362-H366 AromaticContact CE3-CD2 3.65Å; W362-H366 AromaticContact CE3-NE2 3.96Å; W362-H366 AromaticContact CZ3-CD2 3.65Å; W362-H366 AromaticContact CZ3-NE2 3.59Å; W362-H366 PolarHBondContact O-N 2.8Å
363V35.6Very low35.5Very low73 Ų7396.5 Ų96.544%0.44248%0.478SS..Hα-helixtrans-61-36.81771730000111.3R359 M365 H366R359-V363 WeakPolarHBondContact O-CG2 3.19Å; R359-V363 PolarHBondContact O-N 3.24Å; V363-M365 PolarHBondContact O-N 2.77Å; V363-H366 CarbonylContact O-C 3.6Å; V363-H366 PolarHBondContact O-N 3.42Å
364S31.2Very low35.6Very low99 Ų9998 Ų9869%0.69248%0.478SS*.Hα-helixtrans-68.3-27.2177.1-168.20000114.3R360 K361 W362R360-S364 VanDerWaalsContact O-CB 3.27Å; R360-S364 WeakPolarHBondContact O-CB 3.27Å; R360-S364 PolarHBondContact O-N 3.11Å; K361-S364 PolarHBondContact O-N 2.88Å; W362-S364 VanDerWaalsContact C-N 3.26Å; W362-S364 PolarHBondContact O-N 3.28Å
365M27.6Very low35.6Very low108 Ų10894 Ų9453%0.53246%0.458SS..Hα-helixtrans-84.9-19176.7-66.8-169.1-54.800113K361 W362 V363 P367 R369K361-M365 WeakPolarHBondContact O-CG 3.42Å; K361-M365 PolarHBondContact O-N 3.43Å; K361-M365 VanDerWaalsContact O-N 3.14Å; W362-M365 PolarHBondContact O-N 3.11Å; W362-M365 VanDerWaalsContact O-N 3.17Å; V363-M365 PolarHBondContact O-N 2.77Å; M365-P367 VanDerWaalsContact C-CD 3.47Å; M365-P367 WeakPolarHBondContact O-CD 3.18Å; M365-R369 PolarHBondContact O-NH2 2.88Å
366H37.6Very low35.2Very low59 Ų5996.6 Ų96.627%0.27347%0.472SS..  trans-127.665.5-175.7-61.1-31000112.5W362 V363 R368W362-H366 AromaticContact CE3-CD2 3.65Å; W362-H366 AromaticContact CE3-NE2 3.96Å; W362-H366 AromaticContact CZ3-CD2 3.65Å; W362-H366 AromaticContact CZ3-NE2 3.59Å; W362-H366 PolarHBondContact O-N 2.8Å; V363-H366 CarbonylContact O-C 3.6Å; V363-H366 PolarHBondContact O-N 3.42Å; H366-R368 PolarHBondContact O-N 3.09Å
367P31.7Very low34.6Very low57 Ų5795 Ų9537%0.3747%0.469SS..  trans-58.512217026-34.1000109.5M365 R369M365-P367 VanDerWaalsContact C-CD 3.47Å; M365-P367 WeakPolarHBondContact O-CD 3.18Å; P367-R369 WeakPolarHBondContact O-CG 3.38Å; P367-R369 PolarHBondContact O-N 2.76Å
368R36Very low34.4Very low86 Ų8695.5 Ų95.533%0.32547%0.469SS..  trans-32.9101.4-161.3-55-169.2176.7139.9-7.5113.4D185 A246 A250 H366 R370D185-R368 IonicContact OD1-CZ 2.84Å; D185-R368 IonicContact OD1-NE 2.93Å; D185-R368 PolarHBondContact OD1-NE 2.91Å; D185-R368 IonicContact OD1-NH2 3.16Å; D185-R368 PolarHBondContact OD1-NH2 2.7Å; A246-R368 PolarHBondContact O-NH1 3.36Å; A250-R368 HydrophobicContact CB-CB 3.87Å; A250-R368 HydrophobicContact CB-CG 3.95Å; H366-R368 PolarHBondContact O-N 3.09Å; R368-R370 PolarHBondContact O-N 3.43Å
369R41.1Very low33.6Very low122 Ų12298.2 Ų98.246%0.4648%0.484SS..  trans-9097.9-166.6-64.3-166.8-178.9-168.92.3111.8Q189 M365 P367Q189-R369 WeakPolarHBondContact CG-O 3.32Å; Q189-R369 PolarHBondContact NE2-O 2.84Å; M365-R369 PolarHBondContact O-NH2 2.88Å; P367-R369 WeakPolarHBondContact O-CG 3.38Å; P367-R369 PolarHBondContact O-N 2.76Å
370R38.9Very low33.1Very low162 Ų16298.3 Ų98.361%0.61149%0.491SS*.  trans57.4100.8177.1-70.2-173.3176.5-177.7-1114.8R368R368-R370 PolarHBondContact O-N 3.43Å
371L40.2Very low32.6Very low61 Ų6195.3 Ų95.332%0.31950%0.498SS..  -70.5146.7126.3-62.9168000107.5C190 I239 E240 V247C190-L371 WeakPolarHBondContact SG-CD2 3.41Å; I239-L371 HydrophobicContact CG2-CD2 3.98Å; E240-L371 HydrophobicContact CG-CB 3.68Å; E240-L371 HydrophobicContact CG-CD1 4.04Å; E240-L371 HydrophobicContact CG-CG 4.35Å; V247-L371 HydrophobicContact CB-CD1 4.44Å; V247-L371 HydrophobicContact CG1-CD1 4.28Å; V247-L371 HydrophobicContact CG2-CD1 3.44Å; V247-L371 VanDerWaalsContact CG2-CD1 3.44Å
372S37.3Very low32.1Very low29 Ų2993.7 Ų93.720%0.20350%0.5CS..  trans-167.6102.3-178-1800000110.1E240 H374E240-S372 VanDerWaalsContact OE1-C 3.28Å; E240-S372 VanDerWaalsContact OE1-CA 3.3Å; E240-S372 WeakPolarHBondContact OE1-CA 3.31Å; E240-S372 PolarHBondContact OE1-N 3.11Å; S372-H374 PolarHBondContact O-N 2.89Å; S372-H374 PolarHBondContact OG-O 3.25Å
373S32.1Very low31.5Very low25 Ų2592.5 Ų92.518%0.17551%0.509CS..SBendtrans-53.9-37.7162.8560000112.8D237 E240D237-S373 WeakPolarHBondContact OD1-CB 3.46Å; E240-S373 PolarHBondContact OE1-N 3.3Å
374H33.2Very low31.1Very low146 Ų14696.6 Ų96.668%0.67653%0.528SS*.SBendtrans-64.2128.2177.9-64.6-14.9000111.6S372S372-H374 PolarHBondContact O-N 2.89Å; S372-H374 PolarHBondContact OG-O 3.25Å
375P29.5Very low30.7Very low46 Ų4698.9 Ų98.930%0.29953%0.532SS..  trans-67.3138.8173.829.9-35.1000109.8R194 A377R194-P375 HydrophobicContact CG-CB 4.25Å; P375-A377 PolarHBondContact O-N 2.41Å
376V33.3Very low30.6Very low101 Ų10198.8 Ų98.861%0.61254%0.542SS*.  trans-69.698.7171.9-178.10000108.6
377A28.2Very low30Very low70 Ų70103.6 Ų103.658%0.57957%0.568SS**  trans-70128.1178.400000110.9P375 D379P375-A377 PolarHBondContact O-N 2.41Å; A377-D379 VanDerWaalsContact C-N 3.25Å; A377-D379 PolarHBondContact O-N 3.08Å
378T27.7Very low29.6Very low90 Ų90107.5 Ų107.555%0.55258%0.584SS**  trans-91.155.9176.156.30000110.6
379D25.2Very low29.1Very low135 Ų135109 Ų10972%0.72260%0.603SS**  trans-104.6149.3177.9-69.8-53.3000110.6A377A377-D379 VanDerWaalsContact C-N 3.25Å; A377-D379 PolarHBondContact O-N 3.08Å
380Q25.3Very low28.3Very low148 Ų148110.4 Ų110.469%0.69262%0.62SS**  trans66.381-173.7-55.5-175-3.100116
381C23.7Very low27.8Very low129 Ų129108.2 Ų108.287%0.87262%0.624SS**  trans-144.257.7151.7-152.10000110.4
382T23.7Very low27.1Very low111 Ų111110.9 Ų110.968%0.68164%0.638SS**  trans-80.8146.4171.239.80000110.7
383S23.2Very low26.5Very low86 Ų86115.1 Ų115.160%0.60167%0.665SS**  trans51.886.2175.359.10000117.1L695S383-L695 WeakPolarHBondContact OG-CD1 3.29Å
384L25.8Very low26.3Very low159 Ų159122.3 Ų122.383%0.83270%0.696SS**  trans-146.7108.7135.1-113.2171.3000109.1
385N24Very low26.1Very low146 Ų146120 Ų12078%0.78170%0.696SS**  trans-80.5163.4179.8-85-31.9000111.9
386S24Very low25.8Very low107 Ų107128.4 Ų128.475%0.74872%0.724SS**  trans56.882.5158.756.60000118.6
387I25Very low25.7Very low160 Ų160129.4 Ų129.482%0.82173%0.732SS**  trans-128.2110.8135.8-58.4-177.8000108.2V389I387-V389 HydrophobicContact CG2-CG2 4.12Å
388I24.9Very low25.6Very low138 Ų138137.1 Ų137.171%0.70875%0.748SS**  trans-102.1110.9175-60.7174.2000108.1
389V25.6Very low25.8Very low118 Ų118138.5 Ų138.572%0.71576%0.762SS**  trans-94.697.3171.9-1760000108.8I387 V391I387-V389 HydrophobicContact CG2-CG2 4.12Å; V389-V391 HydrophobicContact CG1-CG2 4.27Å; V389-V391 PolarHBondContact O-N 3.38Å
390N24.1Very low25.7Very low152 Ų152135 Ų13581%0.81376%0.758SS**  trans-84.9108.6-176.2-163.69.6000110.7
391V26.9Very low25.8Very low115 Ų115136.3 Ų136.370%0.69776%0.763SS**  trans-101111.4-177.7-174.30000109.9V389 P393V389-V391 HydrophobicContact CG1-CG2 4.27Å; V389-V391 PolarHBondContact O-N 3.38Å; V391-P393 WeakPolarHBondContact O-CD 3.45Å
392N25.5Very low25.8Very low117 Ų117136.7 Ų136.763%0.62676%0.762SS**  trans-67.4125-176.3-175.6-7.6000111.8Q394N392-Q394 VanDerWaalsContact C-N 3.29Å; N392-Q394 PolarHBondContact O-N 3.45Å; N392-Q394 PolarHBondContact OD1-N 2.99Å; N392-Q394 VanDerWaalsContact OD1-N 3.14Å
393P26.3Very low25.9Very low118 Ų118141.9 Ų141.977%0.76677%0.769SS**  trans-69.8-11.7-179.7-21.834.5000116.6V391 S395V391-P393 WeakPolarHBondContact O-CD 3.45Å; P393-S395 PolarHBondContact O-N 3.3Å
394Q28.3Very low26Very low176 Ų176144.6 Ų144.682%0.82279%0.786SS**  trans-91.871.1-167.2-65.4-168.6-5.200115N392N392-Q394 VanDerWaalsContact C-N 3.29Å; N392-Q394 PolarHBondContact O-N 3.45Å; N392-Q394 PolarHBondContact OD1-N 2.99Å; N392-Q394 VanDerWaalsContact OD1-N 3.14Å
395S27.2Very low26Very low98 Ų98142 Ų14269%0.68577%0.773SS**  trans-160.379.3162.862.50000114.5P393P393-S395 PolarHBondContact O-N 3.3Å
396Y24.9Very low26.2Very low222 Ų222147 Ų14787%0.87178%0.781SS**  trans-145.1116.2167.9-89.4-76.8000112.1
397P31.1Very low26.3Very low123 Ų123149.9 Ų149.980%0.79978%0.782SS**  trans-93.8138.1154.333.1-27.7000110.9
398Y25.8Very low26.4Very low231 Ų231146.3 Ų146.391%0.90677%0.77SS**  trans-75.5146.3-177.6-110.9-121000113.5
399S30.4Very low26.5Very low120 Ų120147.2 Ų147.284%0.83978%0.777SS**  -176.1150.5128.9460000112.9
400G24.2Very low26.8Very low62 Ų62147.1 Ų147.164%0.63977%0.771SS**  trans78.797149.700000120.5
401H26.3Very low26.9Very low175 Ų175144.3 Ų144.381%0.8176%0.762SS**  trans78108.4141.6-54.9-37.7000122.4R403H401-R403 PolarHBondContact O-N 3.43Å
402T25.2Very low26.9Very low137 Ų137146.9 Ų146.984%0.8477%0.766SS**  56.849.6129.9600000120.6
403R25.6Very low27.1Very low220 Ų220150.4 Ų150.483%0.8377%0.771SS**  trans-128.184.9163-71.5-170.5175.4-176.81.2114.6H401 L405H401-R403 PolarHBondContact O-N 3.43Å; R403-L405 PolarHBondContact O-N 2.83Å
404C25.7Very low27.1Very low142 Ų142153.3 Ų153.396%0.95977%0.767SS**  trans-75.958165.4-70.90000112.5
405L25.6Very low27.1Very low106 Ų106148.2 Ų148.256%0.55576%0.761SS**  trans-104.679.7164.7-76.7171.1000108.2R403 E407R403-L405 PolarHBondContact O-N 2.83Å; L405-E407 PolarHBondContact O-N 3.49Å
406R27.6Very low27Very low251 Ų251148.1 Ų148.195%0.94776%0.761SS**  trans-70.8114.3162.9-86.7-166.3173.9-170-0.9108.1
407E26.7Very low27Very low167 Ų167143.6 Ų143.678%0.7875%0.747SS**  trans-67144.5-173.7-68.9121.5153.300112.3L405L405-E407 PolarHBondContact O-N 3.49Å
408C25.8Very low26.8Very low84 Ų84143 Ų14357%0.56874%0.743SS**  trans-112.2105.5168.4-166.70000106.2I410C408-I410 PolarHBondContact O-N 3.15Å
409N28.5Very low26.8Very low157 Ų157140.5 Ų140.584%0.8473%0.734SS**THydrogen-bonded Turntrans-73.830-172.2-70.9-6.5000113.8
410I31.5Very low26.5Very low116 Ų116141.3 Ų141.360%0.59573%0.728SS**THydrogen-bonded Turntrans-100.6-8.3-176.9-57.5-177.4000111C408 W413C408-I410 PolarHBondContact O-N 3.15Å; I410-W413 PolarHBondContact O-NE1 2.87Å
411C26.5Very low26.6Very low94 Ų94144.4 Ų144.464%0.63573%0.734SS**  trans-11032-164.3-59.20000115.2
412H26.6Very low26.5Very low168 Ų168141.5 Ų141.578%0.77873%0.729SS**  trans-107.836.5-178.5-114.3-62.1000114.9R414H412-R414 PolarHBondContact O-N 2.86Å
413W28.3Very low26.6Very low191 Ų191141 Ų14172%0.72372%0.72SS**  trans-66.190.7172.1-62.393.7000111.5I410I410-W413 PolarHBondContact O-NE1 2.87Å
414R26.2Very low26.6Very low180 Ų180136 Ų13668%0.67972%0.717SS**  trans-114.2103.9173.1-91.3-164.4173.4-150.11.8110.9H412 S416H412-R414 PolarHBondContact O-N 2.86Å; R414-S416 PolarHBondContact O-N 2.84Å; R414-S416 PolarHBondContact O-OG 2.57Å
415G28.7Very low26.7Very low69 Ų69135.1 Ų135.171%0.71171%0.712SS**SBendtrans55.6-4.3142.700000121.4
416S24.8Very low27Very low96 Ų96137 Ų13767%0.67172%0.718SS**SBendtrans-119.8174.9178.355.60000110.7R414R414-S416 PolarHBondContact O-N 2.84Å; R414-S416 PolarHBondContact O-OG 2.57Å
417E26.4Very low26.9Very low126 Ų126131.1 Ų131.159%0.58971%0.712SS**  trans-59.5151.2-170-59.3-174.8129.400113.2Y419E417-Y419 VanDerWaalsContact C-N 3.28Å; E417-Y419 VanDerWaalsContact O-CD2 3.3Å; E417-Y419 WeakPolarHBondContact O-CD2 3.44Å; E417-Y419 PolarHBondContact O-N 2.62Å
418P26.1Very low27Very low110 Ų110130.2 Ų130.271%0.71471%0.712SS**  trans-73.780-175.731.4-36.3000111.3L420P418-L420 PolarHBondContact O-N 2.78Å
419Y25.6Very low27.1Very low180 Ų180131.7 Ų131.771%0.70671%0.714SS**  trans-57.2128.1166.4-74.9-85000109.9E417 V421E417-Y419 VanDerWaalsContact C-N 3.28Å; E417-Y419 VanDerWaalsContact O-CD2 3.3Å; E417-Y419 WeakPolarHBondContact O-CD2 3.44Å; E417-Y419 PolarHBondContact O-N 2.62Å; Y419-V421 PolarHBondContact O-N 2.9Å
420L25.2Very low27.3Very low137 Ų137130.4 Ų130.472%0.71771%0.712SS**  trans-61.8106.8175.1-78.8154.1000110P418 T422P418-L420 PolarHBondContact O-N 2.78Å; L420-T422 VanDerWaalsContact C-N 3.28Å; L420-T422 PolarHBondContact O-N 2.86Å
421V24.7Very low27.2Very low126 Ų126131.7 Ų131.776%0.76472%0.719SS**  trans-81.478.3174-174.70000109.3Y419 L423Y419-V421 PolarHBondContact O-N 2.9Å; V421-L423 PolarHBondContact O-N 2.88Å
422T25.9Very low27.5Very low114 Ų114135.1 Ų135.170%0.69972%0.724SS**PPolyproline II helixtrans-66.6118.8172.3-47.70000109.6L420L420-T422 VanDerWaalsContact C-N 3.28Å; L420-T422 PolarHBondContact O-N 2.86Å
423L25.9Very low27.6Very low127 Ų127131.1 Ų131.167%0.66571%0.707SS**PPolyproline II helixtrans-74130.7173.5-70.8173.1000109.9I130 V421 S425I130-L423 HydrophobicContact CD1-CD1 4.34Å; V421-L423 PolarHBondContact O-N 2.88Å; L423-S425 PolarHBondContact O-N 2.67Å
424P27Very low27.7Very low116 Ų116130.7 Ų130.775%0.75371%0.71SS**PPolyproline II helixtrans-70.9117.1-17527-34.2000111.9Q426P424-Q426 PolarHBondContact O-N 3.34Å; P424-Q426 VanDerWaalsContact O-N 3.15Å
425S27.9Very low27.9Very low123 Ų123130.8 Ų130.886%0.8672%0.719SS**  trans-84.376.4176.458.30000111.7L423L423-S425 PolarHBondContact O-N 2.67Å
426Q30.2Very low27.9Very low146 Ų146134.7 Ų134.768%0.68272%0.722SS**  trans-104.6132.9168.2-81.9-170.3-26.800111.7P424 L428P424-Q426 PolarHBondContact O-N 3.34Å; P424-Q426 VanDerWaalsContact O-N 3.15Å; Q426-L428 PolarHBondContact O-N 2.87Å
427P27Very low27.9Very low127 Ų127138.1 Ų138.183%0.82572%0.722SS**PPolyproline II helixtrans-74.1120.9166.831-31.1000109.1
428L28.2Very low27.8Very low147 Ų147139.6 Ų139.677%0.7773%0.729SS**PPolyproline II helixtrans-83.8135.6169-89.394.7000110.7Q426 T430Q426-L428 PolarHBondContact O-N 2.87Å; L428-T430 PolarHBondContact O-N 3.16Å
429D29.1Very low27.9Very low115 Ų115139.6 Ų139.662%0.61573%0.729SS**PPolyproline II helixtrans-50.4126.3176.2-82.5-53.2000112.9L431 K432D429-L431 PolarHBondContact O-N 3.23Å; D429-L431 VanDerWaalsContact O-N 3.1Å; D429-K432 PolarHBondContact O-N 3.07Å
430T30.6Very low27.8Very low130 Ų130141.1 Ų141.180%0.79874%0.735SS**THydrogen-bonded Turntrans-64.1-13.6177.543.80000113.7L428L428-T430 PolarHBondContact O-N 3.16Å
431L30.6Very low27.9Very low143 Ų143139.6 Ų139.675%0.74974%0.735SS**THydrogen-bonded Turntrans-80-36179.6-75.7164000113.9D429 L433D429-L431 PolarHBondContact O-N 3.23Å; D429-L431 VanDerWaalsContact O-N 3.1Å; L431-L433 PolarHBondContact O-N 2.78Å
432K31.7Very low27.8Very low167 Ų167137.9 Ų137.973%0.72673%0.728SS**THydrogen-bonded Turntrans-80.92.3-176.2-70.4-173177.7176.40114.7D429D429-K432 PolarHBondContact O-N 3.07Å
433L29.2Very low27.8Very low84 Ų84141.9 Ų141.944%0.4474%0.736SS.*THydrogen-bonded Turntrans-98.80.1-177.3-105.9164.4000114.7L431L431-L433 PolarHBondContact O-N 2.78Å
434K30Very low28Very low181 Ų181141.6 Ų141.679%0.78774%0.743SS**SBendtrans-83.7-30.1177.4-86.6-175.1171.6-1790114.4
435E30.3Very low27.9Very low182 Ų182144 Ų14485%0.8574%0.742SS**THydrogen-bonded Turntrans-85.7-10.7-171.8-62-177.2140.600114.3
436L28.8Very low28Very low151 Ų151147.4 Ų147.479%0.79174%0.742SS**THydrogen-bonded Turntrans-99.712.7-179.3-79.5163.3000114.2
437Y24.9Very low27.8Very low168 Ų168146.1 Ų146.166%0.65974%0.739SS**  trans-101.562.3177.4-97.8-89000112.5K134K134-Y437 PolarHBondContact NZ-OH 2.84Å
438Q25.8Very low27.8Very low157 Ų157148.3 Ų148.373%0.73474%0.743SS**  trans-106.6118.1160.5-86.6-169.4-1500110.6Y440Q438-Y440 PolarHBondContact O-N 2.93Å
439P27.7Very low27.7Very low110 Ų110149.6 Ų149.671%0.71475%0.745SS**  trans-82.8107.8177.731.8-31.6000110.8C441P439-C441 PolarHBondContact O-N 3.34Å
440Y24.2Very low27.6Very low212 Ų212150.2 Ų150.283%0.83176%0.757SS**  trans-72.874166.5-94.2-85.5000111Q438 S442Q438-Y440 PolarHBondContact O-N 2.93Å; Y440-S442 PolarHBondContact O-N 3.03Å
441C25.5Very low27.3Very low106 Ų106149 Ų14972%0.71675%0.75SS**  trans-85.199.2168-78.70000110P439P439-C441 PolarHBondContact O-N 3.34Å
442S24.5Very low27.2Very low89 Ų89148.4 Ų148.462%0.62276%0.756SS**  trans-145.399.316449.10000111.3Y440Y440-S442 PolarHBondContact O-N 3.03Å
443F25.6Very low26.9Very low199 Ų199146 Ų14687%0.87376%0.76SS**SBend-168.3106.5123.2-102.1-67.1000110.3
444C28.7Very low26.7Very low121 Ų121152.9 Ų152.982%0.81878%0.78SS**  trans5886.7162.1-59.40000118.9
445F25.3Very low26.6Very low167 Ų167151.2 Ų151.273%0.73278%0.779SS**  trans-76.3158.1150.9-82-113.2000111.4
446K29.4Very low26.4Very low194 Ų194149.7 Ų149.784%0.84378%0.776SS**  -136.3112.5120.2-73.2-164.8173.9-174.20106.2
447D27.8Very low26.2Very low118 Ų118147.4 Ų147.463%0.63177%0.772SS**  63.6126.685.6-52.4-39.2000110.9
448L26.7Very low26.3Very low174 Ų174148.2 Ų148.291%0.91179%0.787SS**  cis-112.4168.525.7-87.365.4000115.2
449H25.8Very low26.2Very low173 Ų173145.2 Ų145.280%0.80178%0.783SS**  trans-124.5135.6167.6-150.9-79.9000108.2
450C26.2Very low26.1Very low128 Ų128144.1 Ų144.187%0.86578%0.779SS**  trans-144.4142162.7-162.40000110.2
451T24.9Very low26.2Very low106 Ų106141.6 Ų141.665%0.6578%0.78SS**  trans-110.9139.6-169.949.40000111.3
452C27.8Very low26.4Very low130 Ų130142.1 Ų142.188%0.87878%0.784SS**  trans-152.6104.9145.5-133.40000111.4
453S25.7Very low26.6Very low115 Ų115145.6 Ų145.680%0.80479%0.79SS**  trans-91.5115.1174-54.50000109.6
454R25.9Very low26.8Very low229 Ų229143.3 Ų143.386%0.86479%0.787SS**  trans-164134.6161.8-111162.1-167.8-163.21.8112.6
455L27.6Very low26.7Very low146 Ų146142.2 Ų142.276%0.76478%0.781SS**  trans58.1113.1157.8-50.4176.6000116.6
456L25.5Very low27Very low150 Ų150140.7 Ų140.779%0.78579%0.789SS**  62.799.773.5-75.1170.4000114.2
457S24.2Very low26.8Very low103 Ų103138.6 Ų138.672%0.7279%0.787SS**  trans44.1110.8139.359.20000119.2
458L27.2Very low27.1Very low185 Ų185141 Ų14197%0.96980%0.8SS**  -152.6176.1128.2-110.7162.6000110.7
459S24.4Very low27.2Very low94 Ų94136 Ų13666%0.65779%0.791SS**  trans-104.5165.9-170.2177.70000111.9
460S26.2Very low27.1Very low88 Ų88137.5 Ų137.562%0.61580%0.796SS**  trans70.1123.6155.524.80000118.4
461D26.3Very low27.3Very low159 Ų159139.4 Ų139.485%0.8580%0.796SS**  trans52.294.5130.5-42.8-31.2000119.6
462S29.5Very low27.3Very low116 Ų116143.2 Ų143.281%0.81180%0.804SS**  -155.4160.9124.174.20000111.7
463H27.9Very low27.4Very low163 Ų163146.3 Ų146.376%0.75580%0.803SS**  trans-59.4158.2154.7-74.8-133000108.6
464D30.1Very low27.4Very low150 Ų150146.6 Ų146.680%0.80280%0.799SS**  -161.7175.760-111.2-45.6000115.6
465S26.7Very low27.5Very low98 Ų98141.5 Ų141.569%0.68580%0.798SS**  trans-74.2143.3-177.660.60000115.3
466C30.8Very low27.5Very low135 Ų135142.2 Ų142.291%0.91280%0.802SS**  trans-144.692.1149.6-94.20000110.7
467D26.7Very low27.7Very low150 Ų150142 Ų14280%0.80280%0.802SS**  trans-63.7148.8158.3-95.6-58.4000110.7
468N32.5Very low27.9Very low168 Ų168146.9 Ų146.990%0.89881%0.81SS**  trans-172.9144.7140.8-110.6-60.7000115.5
469G28.9Very low28Very low70 Ų70145 Ų14572%0.72280%0.801SS**  trans86.982.2139.500000119
470F25.4Very low28.2Very low205 Ų205147.8 Ų147.890%0.89981%0.807SS**  trans-61144.5159.6-86.1-102.9000112.1
471L29.6Very low28.1Very low168 Ų168147.8 Ų147.888%0.8881%0.806SS**  trans-147.1119.6142.5-121.8165.2000112.4
472K25.6Very low28.2Very low185 Ų185147.5 Ų147.580%0.80480%0.803SS**  trans-97.6112.3-167.8-176.4-178.6-177.2-179.50110.1
473K29.7Very low28.2Very low196 Ų196149.3 Ų149.385%0.85280%0.802SS**  trans-120.1119.8169.9-86.2-174.9174.51760111.9
474T25.2Very low28.1Very low120 Ų120146.7 Ų146.774%0.73680%0.801SS**  trans-79.7135.917342.80000110.6
475C28.8Very low28Very low123 Ų123144.9 Ų144.983%0.83180%0.8SS**  trans-135.9103.9165.1-760000109.2N477C475-N477 PolarHBondContact O-N 3.44Å
476D26.8Very low28.2Very low160 Ų160149.4 Ų149.486%0.85681%0.811SS**  trans-63.2116168.6-70.4-77.4000110.2
477N30.1Very low28.2Very low146 Ų146152.1 Ų152.178%0.78181%0.807SS**  trans-149.5126.6163.1-129.2-41.2000112.3C475 N479C475-N477 PolarHBondContact O-N 3.44Å; N477-N479 VanDerWaalsContact C-N 3.31Å; N477-N479 PolarHBondContact O-N 3.33Å
478K28.6Very low28.1Very low206 Ų206153.5 Ų153.590%0.89681%0.813SS**  trans-83.466.3-166.2-66.6175.1-179.7171.30112.2
479N28.5Very low28.1Very low146 Ų146151.6 Ų151.678%0.78181%0.808SS**  trans-118110.4169.9-87.2-51.6000110.7N477 C481N477-N479 VanDerWaalsContact C-N 3.31Å; N477-N479 PolarHBondContact O-N 3.33Å; N479-C481 PolarHBondContact O-N 3.01Å; N479-C481 VanDerWaalsContact O-N 3.12Å
480I27.7Very low28.1Very low152 Ų152158.4 Ų158.478%0.77982%0.818SS**  trans-78.5100-167.9-57.3175.1000110.6L482I480-L482 HydrophobicContact CG2-CG 4.14Å; I480-L482 PolarHBondContact O-N 2.85Å
481C25.2Very low28.1Very low87 Ų87151.8 Ų151.859%0.58881%0.807SS**  trans-75.898.4170.1-172.90000110.8N479 I483N479-C481 PolarHBondContact O-N 3.01Å; N479-C481 VanDerWaalsContact O-N 3.12Å; C481-I483 PolarHBondContact O-N 3.2Å
482L27.8Very low28.2Very low153 Ų153151.7 Ų151.780%0.80181%0.808SS**THydrogen-bonded Turntrans-75.122.3179.3-91.5162.1000114.7I480I480-L482 HydrophobicContact CG2-CG 4.14Å; I480-L482 PolarHBondContact O-N 2.85Å
483I30Very low28.2Very low154 Ų154150.5 Ų150.579%0.7981%0.808SS**THydrogen-bonded Turntrans-124.320.5-177.1-33.8-177.2000112.1C481C481-I483 PolarHBondContact O-N 3.2Å
484C26.3Very low28.3Very low108 Ų108146.7 Ų146.773%0.7381%0.806SS**  trans-139103.8166.6-77.20000109.4
485S26.8Very low28.3Very low112 Ų112147 Ų14778%0.78380%0.803SS**  trans-156.641176.9-73.70000113.1
486E30.9Very low28.5Very low194 Ų194148.1 Ų148.191%0.90780%0.801SS**  trans-70.1145.6154.6-68.4-162.8119.900109.4L488E486-L488 PolarHBondContact O-N 3.22Å
487K30.6Very low28.6Very low192 Ų192146.3 Ų146.384%0.83580%0.796SS**  trans-85.5102.5-178.9-72.4-172.7175.9-173.10110.2T489K487-T489 VanDerWaalsContact C-N 3.33Å; K487-T489 PolarHBondContact O-N 2.81Å
488L24.8Very low28.3Very low178 Ų178148.1 Ų148.193%0.93280%0.797SS**  trans-62.994.8157.8-78166.5000109.4E486E486-L488 PolarHBondContact O-N 3.22Å
489T33.7Very low28.4Very low128 Ų128146.3 Ų146.379%0.78580%0.796SS**  trans-77.9118.616639.20000109.4K487K487-T489 VanDerWaalsContact C-N 3.33Å; K487-T489 PolarHBondContact O-N 2.81Å
490K27.4Very low28.3Very low214 Ų214143.7 Ų143.793%0.9379%0.788SS**  trans-66155.5173.8-65.3-179.4173.4-174.70112
491G27Very low28.4Very low65 Ų65143.4 Ų143.467%0.6779%0.788SS**  trans117104165.200000111.6
492N30.9Very low28.6Very low167 Ų167145.6 Ų145.689%0.89379%0.793SS**  cis-145.4166.537.1-74.9-19000113
493I25.1Very low28.5Very low159 Ų159144.1 Ų144.182%0.81580%0.795SS**  trans-119127.3168.3-59.7169.8000106.4
494S32.6Very low28.4Very low116 Ų116142.4 Ų142.481%0.81180%0.797SS**  trans-123.1129.6157.752.20000106.8
495N25.5Very low28.6Very low127 Ų127145.7 Ų145.768%0.67980%0.801SS**  trans-71.7155.6172-53.9-37.3000108.7
496D31.4Very low28.6Very low147 Ų147147.9 Ų147.979%0.78680%0.799SS**  -170.8140100.8-90.5-17000114.3
497T29.8Very low28.6Very low122 Ų122144.4 Ų144.475%0.74879%0.787SS**  trans50.5101.8142.9-47.80000121
498F23.9Very low28.6Very low184 Ų184141 Ų14181%0.80778%0.778SS**  trans-28.9146.4151.9-66.7-104.7000117.1
499L30.6Very low28.8Very low167 Ų167138.9 Ų138.987%0.87477%0.767SS**  -174.7127.6107.9-100.3163.4000112.4
500P27.1Very low28.5Very low92 Ų92138.5 Ų138.560%0.59776%0.759SS**  trans-103.1147.2168.336.5-30000112.4
501N28.5Very low28.6Very low145 Ų145136.5 Ų136.578%0.77575%0.753SS**  trans175.3149.8132.6-93.6-20.1000115.3
502N29.9Very low28.7Very low133 Ų133137.9 Ų137.971%0.71175%0.752SS**  trans64.9107.2147.1-62.6-7000122.3
503C26.7Very low28.5Very low123 Ų123134.2 Ų134.283%0.83175%0.745SS**  56.6114.6120.8-580000120.5
504S26.3Very low28.8Very low118 Ų118132.1 Ų132.183%0.82574%0.735SS**  trans-68.7126.3160.654.80000113
505Q31.4Very low28.7Very low176 Ų176133.6 Ų133.682%0.82273%0.727SS**  trans-153.4116.6141.7-125.7173.310.800113
506Q27.7Very low28.9Very low158 Ų158134 Ų13474%0.73873%0.729SS**  trans46.3133.2145.6-79-177.4-23.100122.9
507N28.9Very low28.8Very low122 Ų122130.2 Ų130.265%0.65273%0.725SS**  trans90.5113.4138.1-68.10.9000120.5
508N30.7Very low28.9Very low120 Ų120131.5 Ų131.564%0.64272%0.722SS**  trans79110.2131.1-58.6-6.4000119.2
509N29.2Very low29.2Very low134 Ų134131 Ų13172%0.71772%0.722SS**  73.5152.9124-62.6-3.8000118.1
510I27.5Very low29Very low119 Ų119126.7 Ų126.761%0.6171%0.706SS**  cis-160.8149.5-14.5-112.3166.7000105.9
511H30.2Very low29Very low173 Ų173129.5 Ų129.580%0.80172%0.716SS**  trans61169.9167.7-69.1-25.3000117
512S28.1Very low28.9Very low94 Ų94128.2 Ų128.266%0.65771%0.713SS**  cis-169145.8-38.4-90.20000108.8
513A27.9Very low28.7Very low90 Ų90129.5 Ų129.574%0.74472%0.719SS**  trans64.2175.4153.300000115.9
514D30.5Very low28.6Very low114 Ų114127.1 Ų127.161%0.6171%0.709SS**  cis-152.4162.91.1-143.2-16.3000113
515K31.7Very low28.8Very low147 Ų147129.4 Ų129.464%0.63971%0.712SS**  trans45129.4150.2-77.4148.8-162.4153.40123
516N29.8Very low28.6Very low136 Ų136124.5 Ų124.573%0.72771%0.708SS**  56.3139124.3-49.9-2.5000120.4
517G28.9Very low28.9Very low68 Ų68122 Ų12270%0.70171%0.706SS**  cis146.4-164.7-200000112.6
518H31.2Very low28.9Very low148 Ų148123 Ų12369%0.68571%0.711SS**  trans72.1134.6163.1-74.2-76.9000121.3
519H30.8Very low28.7Very low175 Ų175122.6 Ų122.681%0.8171%0.713SS**  trans58.1106.6143-61.7-45.6000119.3
520S27.1Very low28.9Very low76 Ų76124.1 Ų124.153%0.53172%0.716SS.*  91.1151.252.569.40000113.8
521N27Very low28.8Very low150 Ų150127 Ų12780%0.80273%0.727SS**  trans74.6152165.5-60.5-12.8000116.8
522V25.7Very low28.6Very low119 Ų119127.7 Ų127.772%0.72173%0.733SS**  cis-165.6159.9-32.882.90000109.1
523L25.7Very low28.4Very low159 Ų159130.3 Ų130.383%0.83273%0.734SS**  trans66.4144.7159.7-82.9170.5000122.7
524A25.2Very low28.4Very low74 Ų74134.5 Ų134.561%0.61274%0.743SS**  trans94.1129133.100000122.2
525D30Very low28.3Very low166 Ų166134.2 Ų134.289%0.88874%0.742SS**  trans54.8118.1134.5-54.5-11.7000121.7
526G26.7Very low27.9Very low73 Ų73137.6 Ų137.675%0.75376%0.757SS**  trans163.4127.1134.500000114.5
527P34.3Very low27.8Very low105 Ų105140.1 Ų140.168%0.68276%0.761SS**  trans-119.5-178.8-161.940.2-25.7000114.4
528N28.2Very low27.5Very low143 Ų143147.8 Ų147.877%0.76577%0.771SS**  trans72.8142170.3-45.5-31.1000114.2
529T27.6Very low27.3Very low112 Ų112148 Ų14869%0.68778%0.777SS**  cis-151-171-13.915.50000106.9
530E31.9Very low27.3Very low165 Ų165143.6 Ų143.677%0.77176%0.764SS**  cis-150.9-15016.3-149136.1-72.500112.6
531Q26.4Very low27.2Very low181 Ų181148.3 Ų148.385%0.84678%0.777SS**  trans-89161.7179.8-58.2178.3-10.900109.8
532M25.3Very low27.2Very low187 Ų187147.3 Ų147.392%0.92178%0.777SS**  -150.2143.163.6-156.8172.6-163.600113.5
533E25Very low27.2Very low149 Ų149147.1 Ų147.170%0.69678%0.778SS**  trans-71.3152.5179.9-50.3179.211200113.3N535E533-N535 PolarHBondContact OE2-ND2 3.32Å
534L26.7Very low27.2Very low178 Ų178149.1 Ų149.193%0.93278%0.78SS**  trans-133.6119.1142.6-89.7178.2000110.6
535N28.1Very low27.1Very low108 Ų108150.5 Ų150.558%0.57879%0.786SS**  trans-78.9135.2-168.7-98.3-92000113.3E533 K537E533-N535 PolarHBondContact OE2-ND2 3.32Å; N535-K537 PolarHBondContact O-N 3.01Å
536F24.6Very low27.1Very low217 Ų217149.7 Ų149.795%0.95279%0.786SS**  trans-76.4101.4163.4-91.1-94.1000110.2
537K27.3Very low27.1Very low189 Ų189150.4 Ų150.482%0.82278%0.78SS**  trans-145.5152.8171.1-116.7167.4-174.8168.20113.6N535N535-K537 PolarHBondContact O-N 3.01Å
538Y23.3Very low26.7Very low230 Ų230154 Ų15490%0.90279%0.788SS**  trans-53.9141.6-178.1-97.2-120000114
539N26.7Very low26.7Very low151 Ų151156 Ų15681%0.80779%0.792SS**  trans-155.3124.6141.4-153.87.6000112.4
540P30.2Very low26.8Very low84 Ų84155.9 Ų155.955%0.54580%0.796SS.*  trans-81.7173.9165.432.6-32.4000112.3
541H25.6Very low26.6Very low174 Ų174153.3 Ų153.381%0.80679%0.791SS**  trans66.597.2179-53.5-90.7000117.3
542T26.7Very low26.7Very low130 Ų130154.5 Ų154.580%0.79879%0.794SS**  -178.2158111.126.60000110.6
543P25.2Very low26.8Very low115 Ų115153.1 Ų153.175%0.74778%0.783SS**  trans-96.1133.9-170.235.2-31.5000113.3
544F26.1Very low26.9Very low201 Ų201152.4 Ų152.488%0.88279%0.791SS**  trans-106.4102.7164.2-87.3-81.8000111.5
545S24.3Very low27.1Very low103 Ų103151 Ų15172%0.7278%0.784SS**PPolyproline II helixtrans-72.7134.1166.8480000111.1
546V29.4Very low27.1Very low149 Ų149151.2 Ų151.290%0.90379%0.789SS**PPolyproline II helixtrans-92.6123.7153.4-1800000106.7
547S26.1Very low27.4Very low88 Ų88147.7 Ų147.762%0.61578%0.78SS**PPolyproline II helixtrans-87.4159.1-166.937.40000114.1
548E25.7Very low27.4Very low181 Ų181143.9 Ų143.985%0.84678%0.777SS**  trans31.3140138.6-54.2177.3176.600119.4
549Q28Very low27.9Very low184 Ų184139.2 Ų139.286%0.8678%0.775SS**  cis-142.1170.929.3-59.5163.6-4.900109.1
550S30.7Very low28.1Very low110 Ų110135.5 Ų135.577%0.76977%0.773SS**  cis-143.9166.511.758.10000111.7
551V26.8Very low28.1Very low110 Ų110140.2 Ų140.267%0.66779%0.787SS**  trans-109.4138.6-177.1172.60000110.9K553V551-K553 HydrophobicContact CG1-CG 4.29Å
552F29.4Very low28.2Very low206 Ų206137.2 Ų137.290%0.90479%0.786SS**  trans-136.4101.3150.6-91.1-73.5000111.5
553K27.2Very low28.4Very low159 Ų159136.8 Ų136.869%0.69179%0.788SS**  trans-87.3138.3158.4-67.3174.7179.3172.50108.1V551V551-K553 HydrophobicContact CG1-CG 4.29Å
554P27.1Very low28.5Very low133 Ų133137.6 Ų137.686%0.86479%0.791SS**  trans-83.2114.3150.926.6-17.4000108.6
555L30.8Very low28.7Very low150 Ų150135.2 Ų135.279%0.78579%0.793SS**  trans-96.9159.7163.1-95.2161.4000109.4
556T27.1Very low28.8Very low112 Ų112135.6 Ų135.669%0.68780%0.795SS**  trans-87.3136.2-178.249.40000110.9
557D31Very low28.6Very low142 Ų142136.6 Ų136.676%0.75980%0.795SS**  172128.4108.2-83.4-27.8000114.3
558S28.4Very low28.8Very low110 Ų110138.1 Ų138.177%0.76981%0.806SS**  trans62.2176.6151.3-49.40000117.7
559P33.4Very low29.1Very low131 Ų131137.6 Ų137.685%0.85180%0.803SS**  -126.7146.1-93.533.6-15.4000115.3
560G30.3Very low29.1Very low74 Ų74132.7 Ų132.776%0.76380%0.802SS**  trans-16595.4179.600000115.5
561H30.2Very low29.1Very low183 Ų183133.1 Ų133.185%0.84780%0.799SS**  trans3.8120.8158.3-69.3-89.8000121.4
562S27.3Very low29.2Very low111 Ų111138.6 Ų138.678%0.77681%0.808SS**  trans46.3140.7134.860.60000121.5
563S31.9Very low29.2Very low121 Ų121139.6 Ų139.685%0.84681%0.806SS**  cis-150.7175.731.162.10000114.6
564T26.5Very low29.5Very low131 Ų131143.9 Ų143.980%0.80482%0.818SS**  trans-91.7136.5-165.143.30000116.6
565V31.4Very low29.6Very low152 Ų152147.2 Ų147.292%0.92182%0.819SS**  trans-135.5148.6137.2-176.60000108.3
566S25.8Very low29.5Very low111 Ų111151.7 Ų151.778%0.77683%0.825SS**  trans-110.8130.5-156.849.20000116.1
567L26.4Very low29.8Very low169 Ų169154 Ų15489%0.88583%0.832SS**  trans-149.6133.6160-140.687000109
568S30.1Very low29.8Very low121 Ų121152.1 Ų152.185%0.84683%0.828SS**  trans-146.9121.2172.856.90000113.1
569Q30.9Very low29.7Very low170 Ų170153 Ų15379%0.79483%0.834SS**  trans-93.7129.5174.2-68.5175.8-18.500109.8V571Q569-V571 PolarHBondContact O-N 2.88Å
570G29.1Very low29.4Very low81 Ų81150.9 Ų150.984%0.83582%0.822SS**  trans-75.477.6-176.700000114.2R572G570-R572 PolarHBondContact O-N 2.84Å
571V29.5Very low29.2Very low118 Ų118159 Ų15972%0.71583%0.83SS**  trans-69.795.8174.8-1780000110.5Q569 R573Q569-V571 PolarHBondContact O-N 2.88Å; V571-R573 VanDerWaalsContact C-N 3.3Å; V571-R573 HydrophobicContact CG1-CG 4.43Å; V571-R573 PolarHBondContact O-N 3.44Å
572R29.9Very low29.2Very low226 Ų226155.8 Ų155.885%0.85383%0.828SS**  trans-67.384.7170.6-86.8-171.2169.6-174.5-2.5110.8G570 R574G570-R572 PolarHBondContact O-N 2.84Å; R572-R574 PolarHBondContact O-N 3.3Å
573R30Very low29.3Very low226 Ų226156.9 Ų156.985%0.85383%0.83SS**  trans-57.6132.2166.6-73.1-179.4171.5172.2-2.8109.6V571 K575V571-R573 VanDerWaalsContact C-N 3.3Å; V571-R573 HydrophobicContact CG1-CG 4.43Å; V571-R573 PolarHBondContact O-N 3.44Å; R573-K575 PolarHBondContact O-N 2.77Å; R573-K575 VanDerWaalsContact O-N 3.15Å
574R31.9Very low28.9Very low249 Ų249157.9 Ų157.994%0.9483%0.825SS**  trans-64.1110.9175.2-71.8178.2171.7174.7-5.3110.1R572 R576R572-R574 PolarHBondContact O-N 3.3Å; R574-R576 PolarHBondContact O-N 3.06Å
575K30.5Very low29Very low203 Ų203157.3 Ų157.388%0.88383%0.826SS**PPolyproline II helixtrans-62.9125.5159-76.8-175175.2-179.40107.8R573R573-K575 PolarHBondContact O-N 2.77Å; R573-K575 VanDerWaalsContact O-N 3.15Å
576R28.8Very low28.8Very low245 Ų245160.1 Ų160.193%0.92582%0.82SS**PPolyproline II helixtrans-71.1126.8165.4-75.4-179171.9179.4-2.8107.7R574R574-R576 PolarHBondContact O-N 3.06Å
577L33.7Very low29Very low160 Ų160161.7 Ų161.784%0.83883%0.825SS**PPolyproline II helixtrans-75.9144.4163.5-74168.2000109.2
578P30.3Very low29Very low103 Ų103159.1 Ų159.167%0.66981%0.811SS**PPolyproline II helixtrans-63133.8174.1-2233.9000111.9S580P578-S580 VanDerWaalsContact C-N 3.32Å; P578-S580 PolarHBondContact O-N 2.94Å; P578-S580 VanDerWaalsContact O-N 3.07Å
579S26.3Very low29.1Very low129 Ų129161.6 Ų161.690%0.90281%0.813SS**SBendtrans-84.168.317954.20000111.6
580S25.9Very low29Very low85 Ų85159.4 Ų159.459%0.59481%0.807SS**  trans-155.142.6-174.667.60000114.9P578P578-S580 VanDerWaalsContact C-N 3.32Å; P578-S580 PolarHBondContact O-N 2.94Å; P578-S580 VanDerWaalsContact O-N 3.07Å
581W26.8Very low29Very low245 Ų245162.6 Ų162.693%0.92881%0.805SS**  trans-131.874170.5-8076.1000110.9
582S29.5Very low29.1Very low115 Ų115160.7 Ų160.780%0.80481%0.809SS**  trans-116.3110.916652.90000108.3
583T29.5Very low28.9Very low135 Ų135157.3 Ų157.383%0.82881%0.808SS**  trans-64139.4-167.5-50.40000113S585T583-S585 PolarHBondContact O-N 3.08Å
584I25Very low28.9Very low142 Ų142153.5 Ų153.573%0.72881%0.81SS**  trans-62.4125.2175.2-63162.4000110.4R586I584-R586 HydrophobicContact CG2-CG 3.73Å
585S28.1Very low28.7Very low118 Ų118147.1 Ų147.183%0.82580%0.804SS**  trans-106.2120.7152.9-67.50000107.5T583T583-S585 PolarHBondContact O-N 3.08Å
586R27.2Very low28.6Very low212 Ų212142.3 Ų142.380%0.880%0.801SS**  trans-86.5134.1179.2-60.7-178.6-175172.60.3110I584I584-R586 HydrophobicContact CG2-CG 3.73Å
587T29.4Very low28.5Very low143 Ų143138.3 Ų138.388%0.87780%0.799SS**  trans-117116.2149.3-33.10000106.4
588L27.1Very low28.3Very low115 Ų115136.9 Ų136.960%0.60280%0.796SS**  trans-83.5145.3171.5-72.7160.9000108.8
589I31.6Very low28.3Very low173 Ų173138.3 Ų138.389%0.88780%0.803SS**  trans-162.2155.5135.2-98.9149.4000107.3
590N29.8Very low28.4Very low124 Ų124139.3 Ų139.366%0.66379%0.793SS**  trans-94.7155.6-154.4-74.2-12.6000115.2
591N28.9Very low28.5Very low149 Ų149141.9 Ų141.980%0.79781%0.81SS**  trans46.1128.3138.6-53.34.2000120.5
592G29.8Very low28.4Very low77 Ų77135.9 Ų135.979%0.79480%0.796SS**  trans-173.395.116400000109.1
593D25.8Very low28.6Very low156 Ų156138.7 Ų138.783%0.83480%0.8SS**  trans-72.1133-172.1-62-80.7000113.1
594T31.8Very low28.6Very low145 Ų145140.3 Ų140.389%0.8980%0.798SS**  trans-154.3140.1136-12.10000112.1
595S26.4Very low28.8Very low116 Ų116139.4 Ų139.481%0.81180%0.801SS**  trans-76.8137.6-172.1530000114.8
596A29.8Very low29Very low101 Ų101141.5 Ų141.584%0.83580%0.802SS**  trans-151.5115.5143.600000110.2
597N26Very low29.1Very low162 Ų162141.9 Ų141.987%0.86680%0.803SS**  trans-74.4156.1169.8-77.2-48.4000110.7
598V29.2Very low29.1Very low130 Ų130145.6 Ų145.679%0.78880%0.801SS**  -176.5122.6118.6144.20000112.7
599T30.6Very low29.4Very low133 Ų133148.4 Ų148.482%0.81681%0.811SS**  trans54121.1159.656.10000122.7
600H27.3Very low29.2Very low150 Ų150146.4 Ų146.469%0.69480%0.797SS**  trans-64.1158.8155.4-83.2-110.8000113.6N602H600-N602 PolarHBondContact ND1-OD1 3.12Å
601C28.4Very low29.3Very low139 Ų139147.3 Ų147.394%0.93981%0.808SS**  trans-134.6118.6137.8-93.60000109.5
602N26.3Very low29.3Very low119 Ų119147.2 Ų147.264%0.63680%0.802SS**  trans-100.7139.1-179-66.9-28.3000111.3H600H600-N602 PolarHBondContact ND1-OD1 3.12Å
603I31.9Very low29.4Very low173 Ų173150.8 Ų150.889%0.88780%0.803SS**  trans-135.3139.6158.3-60.8-175.7000108.8
604H29.5Very low29.7Very low169 Ų169149.7 Ų149.778%0.78280%0.797SS**PPolyproline II helixtrans-83.3152.3-160.7-59.6-53.4000116.7
605P29.4Very low29.5Very low123 Ų123153.3 Ų153.380%0.79979%0.794SS**PPolyproline II helixtrans-90134.2151.934.8-29000111.5
606I33.4Very low29.6Very low163 Ų163153.7 Ų153.784%0.83680%0.795SS**PPolyproline II helixtrans-86.3123.5179.7-64.2174.9000110.9
607R27.8Very low29.5Very low219 Ų219155.7 Ų155.783%0.82679%0.791SS**PPolyproline II helixtrans-80.9152165.9-70.1-177.7175.8-172.6-0.8110.8
608R30.9Very low29.8Very low222 Ų222153.1 Ų153.184%0.83879%0.786SS**  trans-137.5123.7148.8-96.3-166.3171.1172.2-0.7112.3
609H33.7Very low29.8Very low174 Ų174154.7 Ų154.781%0.80679%0.79SS**  trans51118161.9-60.1-72.8000120.9
610Q27.5Very low29.8Very low130 Ų130151.4 Ų151.461%0.60778%0.783SS**  trans-111.5145.8164.5163-172.3-9.800105.7E612Q610-E612 HydrophobicContact CG-CG 4.1Å; Q610-E612 PolarHBondContact NE2-OE1 3.01Å
611T31.6Very low30.1Very low144 Ų144152.6 Ų152.688%0.88379%0.794SS**  trans-124.6124.1166.2-35.30000107.4
612E28.2Very low29.9Very low146 Ų146151 Ų15168%0.68279%0.785SS**  trans-97.2166.2-178-54.6-176.6135.800110.8Q610Q610-E612 HydrophobicContact CG-CG 4.1Å; Q610-E612 PolarHBondContact NE2-OE1 3.01Å
613L31.4Very low30.3Very low152 Ų152150.7 Ų150.780%0.79679%0.789SS**  trans-167.6120.4141.8-105.6164000111.2
614N32Very low30.3Very low134 Ų134152.8 Ų152.872%0.71779%0.786SS**  trans51.4128159.5-57.3-21000120.3
615R28Very low30.3Very low220 Ų220153.5 Ų153.583%0.8379%0.789SS**  cis81.2102.743.4-76.5-170.5166.5-168.4-1.2115.9
616C29.2Very low30.5Very low124 Ų124152.1 Ų152.184%0.83878%0.78SS**  -170.6136.5124.3-86.30000106.7
617L27.8Very low30.3Very low143 Ų143153.9 Ų153.975%0.74978%0.778SS**  cis111147.218.7-77.7176.2000113
618S32.1Very low30.2Very low108 Ų108150.5 Ų150.576%0.75578%0.775SS**  trans69.1133.4-16878.30000116
619N28.6Very low29.9Very low163 Ų163145.8 Ų145.887%0.87278%0.775SS**  cis112.6128.90.1-68.8-2.3000116.3
620G31.7Very low29.8Very low64 Ų64143 Ų14366%0.6678%0.776SS**  trans109.9139.5164.600000114.3
621N32.3Very low29.8Very low175 Ų175144.2 Ų144.294%0.93679%0.786SS**  cis-150.8161.6-12.3-94.6-33.4000109.4
622S25.2Very low29.7Very low106 Ų106143.8 Ų143.874%0.74178%0.783SS**  trans-131155.4175.8179.50000110.2
623P33.8Very low29.7Very low112 Ų112142.9 Ų142.973%0.72779%0.788SS**  -146.1133.1124.232.5-14.9000117.3
624R32.1Very low29.5Very low218 Ų218140.6 Ų140.682%0.82378%0.782SS**  64.6102.3129.7-58.7177.5-177.9-153-0.9121.6
625H29Very low29.2Very low183 Ų183140.7 Ų140.785%0.84779%0.787SS**  58.5160.7108.5-79.7-59.8000122.9
626P34.2Very low29.2Very low95 Ų95136.9 Ų136.962%0.61778%0.782SS**  cis-137.6-173-5.733.8-10.8000116.9
627Y29.1Very low29.2Very low200 Ų200137.6 Ų137.678%0.78478%0.776SS**  trans51.198.4165.7-66.1-75.2000119.1
628I25.6Very low29.3Very low148 Ų148135.5 Ų135.576%0.75977%0.771SS**  81.7116.671.2-68.4172.4000115.2
629S26.1Very low29Very low122 Ų122132.4 Ų132.485%0.85376%0.756SS**  trans-147.7161.5138.6-810000108.5
630S30.1Very low28.9Very low117 Ų117129.9 Ų129.982%0.81875%0.752SS**PPolyproline II helixtrans-83.5159.8-156.137.40000116.3T632S630-T632 PolarHBondContact O-N 3.44Å
631L28.3Very low28.7Very low155 Ų155135.2 Ų135.281%0.81276%0.759SS**PPolyproline II helixtrans-59.1127.9-176.7-85.762.2000113.4
632T30Very low28.6Very low135 Ų135137.5 Ų137.583%0.82876%0.756SS**PPolyproline II helixtrans-82.5123.6154.7490000110.6S630S630-T632 PolarHBondContact O-N 3.44Å
633T26.7Very low28.8Very low127 Ų127136.8 Ų136.878%0.77976%0.757SS**PPolyproline II helixtrans-69.6126.2178.8-32.30000111T635T633-T635 PolarHBondContact O-N 3.31Å
634P26.8Very low28.7Very low103 Ų103142.2 Ų142.267%0.66976%0.763SS**PPolyproline II helixtrans-69.4117-178.926.9-33.8000111.4I636P634-I636 VanDerWaalsContact C-N 3.34Å; P634-I636 PolarHBondContact O-N 2.79Å
635T27.1Very low28.5Very low136 Ų136138.1 Ų138.183%0.83476%0.762SS**  trans-73.783.7175.8-46.40000110.7T633 I637T633-T635 PolarHBondContact O-N 3.31Å; T635-I637 PolarHBondContact O-N 2.81Å; T635-I637 VanDerWaalsContact O-N 3.14Å
636I28.3Very low28.5Very low141 Ų141138.9 Ų138.972%0.72376%0.758SS**  trans-70.1109.3177.5-62.2172.8000109.6P634 P638P634-I636 VanDerWaalsContact C-N 3.34Å; P634-I636 PolarHBondContact O-N 2.79Å; I636-P638 VanDerWaalsContact O-CD 3.26Å; I636-P638 WeakPolarHBondContact O-CD 3.33Å
637I29.3Very low28.3Very low138 Ų138143.1 Ų143.171%0.70877%0.769SS**  trans-70.8118.4170.6-63.6167.2000108.5T635 G639T635-I637 PolarHBondContact O-N 2.81Å; T635-I637 VanDerWaalsContact O-N 3.14Å; I637-G639 VanDerWaalsContact C-N 3.27Å; I637-G639 PolarHBondContact O-N 3.42Å
638P28.6Very low28.4Very low99 Ų99140.6 Ų140.664%0.64376%0.764SS**SBendtrans-79.473.5179.5-13.431.6000111.6F33 I636F33-P638 HydrophobicContact CD2-CG 3.89Å; F33-P638 HydrophobicContact CE2-CG 4.23Å; I636-P638 VanDerWaalsContact O-CD 3.26Å; I636-P638 WeakPolarHBondContact O-CD 3.33Å
639G25.5Very low28.6Very low44 Ų44140.1 Ų140.145%0.45477%0.769SS.*SBendtrans-168.6126178.400000111.1I637I637-G639 VanDerWaalsContact C-N 3.27Å; I637-G639 PolarHBondContact O-N 3.42Å
640S27.8Very low28.6Very low110 Ų110140 Ų14077%0.76977%0.768SS**SBendtrans70.6171.9-16285.20000114.5
641Q27.8Very low28.5Very low175 Ų175140 Ų14082%0.81877%0.768SS**  trans62.370.7178.6-55-166.518.900118.5
642Y28.9Very low28.4Very low223 Ų223139 Ų13988%0.87577%0.768SS**  trans-130.338.7148.5-91.1-66.1000113.4R644Y642-R644 VanDerWaalsContact C-N 3.33Å; Y642-R644 PolarHBondContact O-N 3.13Å; Y642-R644 VanDerWaalsContact O-N 3.15Å
643A29.8Very low28.4Very low92 Ų92137.6 Ų137.676%0.7676%0.763SS**  trans-79.482.2160.300000109.1T645A643-T645 VanDerWaalsContact C-N 3.32Å; A643-T645 PolarHBondContact O-N 3.28Å
644R30.9Very low28.5Very low226 Ų226140.2 Ų140.285%0.85377%0.766SS**  trans-80.178.2-176.9-158.4178-161.2178.37.4111.4Y642 R646Y642-R644 VanDerWaalsContact C-N 3.33Å; Y642-R644 PolarHBondContact O-N 3.13Å; Y642-R644 VanDerWaalsContact O-N 3.15Å; R644-R646 PolarHBondContact O-N 2.97Å
645T29.1Very low28.4Very low131 Ų131140.7 Ų140.780%0.80477%0.772SS**  trans-5896.8167.322.70000109.8A643 Q647A643-T645 VanDerWaalsContact C-N 3.32Å; A643-T645 PolarHBondContact O-N 3.28Å; T645-Q647 PolarHBondContact O-N 2.9Å
646R29Very low28.5Very low199 Ų199140.8 Ų140.875%0.75177%0.773SS**  trans-83.794.4171.3-160.9179.8-160.3-1347.8107.7R644 H648R644-R646 PolarHBondContact O-N 2.97Å; R646-H648 PolarHBondContact NH1-NE2 3.32Å; R646-H648 PolarHBondContact O-N 2.99Å
647Q30.3Very low28.4Very low185 Ų185140.2 Ų140.286%0.86478%0.776SS**  trans-54122.4168.9-72.8174.2-32.300108.6T645T645-Q647 PolarHBondContact O-N 2.9Å
648H29.9Very low28.7Very low146 Ų146138.3 Ų138.368%0.67677%0.772SS**  trans-104.5111.4166.7-90.4-102.1000106.7R646 S650R646-H648 PolarHBondContact NH1-NE2 3.32Å; R646-H648 PolarHBondContact O-N 2.99Å; H648-S650 PolarHBondContact O-N 3.28Å
649T29.9Very low28.8Very low139 Ų139143.8 Ų143.885%0.85378%0.782SS**  trans-64.3127.6170.145.40000109.2
650S26.1Very low29Very low119 Ų119148.9 Ų148.983%0.83279%0.793SS**  trans-75.3137.5177.347.40000112H648H648-S650 PolarHBondContact O-N 3.28Å
651S28.8Very low29.3Very low117 Ų117151.6 Ų151.682%0.81879%0.791SS**  trans-135.3126.2161.258.50000108.6
652T26.6Very low29.5Very low134 Ų134148.1 Ų148.182%0.82278%0.778SS**  trans-89.6-158.5-173.6-26.50000111.2
653C29.6Very low29.6Very low105 Ų105143.4 Ų143.471%0.70978%0.778SS**  trans74132.4-174.6-56.60000114
654E28.4Very low29.8Very low183 Ų183142.6 Ų142.686%0.85578%0.779SS**  cis-154.4163.8-4.6-125.7156.4-135.800109.8
655S25.5Very low29.7Very low113 Ų113139.6 Ų139.679%0.7978%0.78SS**  trans-130.3136.2-176.363.10000112.5
656T29.5Very low29.8Very low138 Ų138137.9 Ų137.985%0.84777%0.773SS**  trans-140.1123.5172.3-37.40000112.5
657T26.2Very low29.9Very low129 Ų129135.8 Ų135.879%0.79177%0.771SS**  trans-143.4-174.9164.461.30000105.3
658P33.8Very low30Very low98 Ų98132.4 Ų132.464%0.63677%0.768SS**  cis-134.3-140.1-0.144.7-25.9000112.6
659Y30.5Very low29.9Very low213 Ų213130.8 Ų130.884%0.83577%0.773SS**  trans114145.1164.6-77.4-87000115.9
660H30.9Very low30.1Very low151 Ų151129.6 Ų129.670%0.69977%0.768SS**  cis-167.2169.2-47.4-155.5-81000108.4
661K33.2Very low30.1Very low168 Ų168129.7 Ų129.773%0.7377%0.767SS**  trans79.2152.5164.6-61.7-171.7158.2-81.80117.6
662D33Very low30Very low101 Ų101129.6 Ų129.654%0.5477%0.767SS.*  cis-162.5149.6-22.3-101.5-12.8000112.4
663S30.9Very low30.2Very low125 Ų125128.9 Ų128.987%0.87476%0.764SS**  trans63.1145.614773.30000122.5
664G33.1Very low30.1Very low75 Ų75128 Ų12877%0.77376%0.764SS**  trans154.285.1167.800000117.1
665N30.6Very low30Very low163 Ų163124.8 Ų124.887%0.87276%0.757SS**  trans-60167.2171.3-78.90.9000113.9
666S30.9Very low30.2Very low94 Ų94125.2 Ų125.266%0.65775%0.751SS**  cis-168.1177.7-5.3400000111.4
667H31.2Very low30.2Very low155 Ų155126.5 Ų126.572%0.71875%0.745SS**  trans-6.9156.2158.3-47.5-61.1000120.8
668S30.8Very low30.5Very low115 Ų115129.2 Ų129.280%0.80475%0.748SS**  cis-15316512.538.60000113.4
669S28.8Very low30.1Very low112 Ų112128.5 Ų128.578%0.78376%0.758SS**  trans-99.3-168169.9-34.90000110.9
670P34.2Very low30Very low113 Ų113123.9 Ų123.973%0.73476%0.758SS**  cis-128175-36.933.5-16.9000112.4
671C26.7Very low29.8Very low122 Ų122124.7 Ų124.782%0.82477%0.765SS**  172.8164.3123.3-95.10000112.5
672S25.4Very low29.7Very low115 Ų115126 Ų12680%0.80477%0.771SS**  trans-138.1-171.9-178.4-460000107.8
673P32.2Very low29.4Very low119 Ų119126.7 Ų126.777%0.77378%0.783SS**  cis-135.5-147-5.840.3-19.2000112
674A26.4Very low29.3Very low85 Ų85126.1 Ų126.170%0.70278%0.777SS**  trans79.6146.8159.300000116.7
675T27Very low29Very low117 Ų117130.9 Ų130.972%0.71878%0.783SS**  cis-157.6173.1-2.2-5.30000112.2
676N29.4Very low28.8Very low122 Ų122128.5 Ų128.565%0.65278%0.775SS**  trans75145.8159.2-61.7-40.8000117.5
677K29.9Very low28.6Very low165 Ų165129.3 Ų129.372%0.71778%0.78SS**  cis-156179.1-9.4-121162.9-170.8172.10111.3
678Q30.9Very low28.5Very low186 Ų186128.9 Ų128.987%0.86978%0.782SS**  trans68.8100.6164.9-74.5139.9-48.800119.8
679G26Very low28.3Very low82 Ų82127 Ų12785%0.84577%0.769SS**  91.175.9109.400000119.1
680S28.9Very low28.4Very low117 Ų117128.4 Ų128.482%0.81878%0.776SS**  trans-151.2147.8153.2-155.10000112.8
681I25.5Very low28.3Very low167 Ų167127.8 Ų127.886%0.85677%0.774SS**  trans-86.5112.9-169.2-59.6162000110.2
682K31.5Very low28.5Very low197 Ų197126.2 Ų126.286%0.85777%0.77SS**  trans-141.1130.2164-68.7-171179.11760110.5
683S26.3Very low28.8Very low114 Ų114125.8 Ų125.880%0.79776%0.763SS**  trans-73153.9177.636.90000112
684P29Very low28.5Very low113 Ų113123.4 Ų123.473%0.73475%0.747SS**  trans-78.7145.6-169.1-1330000113.5V686P684-V686 PolarHBondContact O-N 3.35Å
685L27Very low28.8Very low175 Ų175124.7 Ų124.792%0.91674%0.742SS**  trans-70.4103.1156.3-80.7156.9000108.2S687L685-S687 PolarHBondContact O-N 2.85Å; L685-S687 VanDerWaalsContact O-N 3.1Å
686V27.5Very low29Very low114 Ų114126.9 Ų126.969%0.69174%0.737SS**  trans-77.295.5171.1-179.30000108.5P684 L688P684-V686 PolarHBondContact O-N 3.35Å; V686-L688 HydrophobicContact CG1-CD2 4.12Å; V686-L688 HydrophobicContact CG1-CG 4.36Å; V686-L688 PolarHBondContact O-N 3.15Å; V686-L688 VanDerWaalsContact O-N 3.12Å
687S26.5Very low29.3Very low110 Ų110123.9 Ų123.977%0.76973%0.729SS**  trans-68.798.8165.852.10000109.2L685 S689L685-S687 PolarHBondContact O-N 2.85Å; L685-S687 VanDerWaalsContact O-N 3.1Å; S687-S689 PolarHBondContact O-N 2.87Å
688L28Very low29.5Very low146 Ų146121.8 Ų121.876%0.76473%0.725SS**  trans-67.3114.9170.9-71.6174000109.1V686V686-L688 HydrophobicContact CG1-CD2 4.12Å; V686-L688 HydrophobicContact CG1-CG 4.36Å; V686-L688 PolarHBondContact O-N 3.15Å; V686-L688 VanDerWaalsContact O-N 3.12Å
689S27.8Very low29.4Very low75 Ų75116.3 Ų116.352%0.52471%0.712SS.*  trans-59.2146.5179.7-175.30000111.4S687 S691S687-S689 PolarHBondContact O-N 2.87Å; S689-S691 PolarHBondContact O-N 3.26Å; S689-S691 PolarHBondContact OG-OG 3Å
690P30.2Very low29.6Very low142 Ų142117 Ų11792%0.92270%0.701SS**THydrogen-bonded Turntrans-71.628.5178.232.3-38.2000114.2
691S31.5Very low29.9Very low100 Ų100118 Ų11870%0.69970%0.703SS**THydrogen-bonded Turntrans-111.316-174.362.40000113.6S689S689-S691 PolarHBondContact O-N 3.26Å; S689-S691 PolarHBondContact OG-OG 3Å
692A31.9Very low30.2Very low89 Ų89120.5 Ų120.574%0.73670%0.703SS**  trans-96.5102.3176.500000110.6
693T30.8Very low30.2Very low107 Ų107114.5 Ų114.566%0.65669%0.691SS**  trans-57.4135.5167.316.60000110.1L695T693-L695 PolarHBondContact O-N 2.93Å
694P27.8Very low30.4Very low68 Ų68118.5 Ų118.544%0.44269%0.694SS.*  trans-72.2128.1176.830.3-34000109.9W696 A697P694-W696 HydrophobicContact CG-CZ2 4.21Å; P694-W696 PolarHBondContact O-N 2.9Å; P694-A697 WeakPolarHBondContact O-CB 3.14Å; P694-A697 PolarHBondContact O-N 3.06Å
695L31.5Very low30.5Very low113 Ų113118.3 Ų118.359%0.59269%0.692SS**THydrogen-bonded Turntrans-58.25-170.8-79.3153.8000117.3S383 T693S383-L695 WeakPolarHBondContact OG-CD1 3.29Å; T693-L695 PolarHBondContact O-N 2.93Å
696W32.5Very low30.9Very low163 Ų163120.3 Ų120.362%0.61769%0.694SS**THydrogen-bonded Turntrans-91.7-10.8168.559.3-99.8000113.5P694 D698P694-W696 HydrophobicContact CG-CZ2 4.21Å; P694-W696 PolarHBondContact O-N 2.9Å; W696-D698 VanDerWaalsContact C-N 3.34Å
697A34.2Very low31.5Very low58 Ų58119.8 Ų119.848%0.47969%0.691SS.*THydrogen-bonded Turntrans-69.1-30.5175.100000112.8P694 A699P694-A697 WeakPolarHBondContact O-CB 3.14Å; P694-A697 PolarHBondContact O-N 3.06Å; A697-A699 VanDerWaalsContact C-N 3.28Å; A697-A699 PolarHBondContact O-N 2.86Å
698D33.7Very low31.7Very low121 Ų121117 Ų11765%0.64768%0.68SS**THydrogen-bonded Turntrans-8817.4-179.6-57.8-56.8000113.6W696 P700W696-D698 VanDerWaalsContact C-N 3.34Å; D698-P700 WeakPolarHBondContact O-CD 3.2Å
699A29.1Very low32.1Very low71 Ų71119.9 Ų119.959%0.58769%0.686SS**  trans-69.1119.7178.100000110.6A697 T701A697-A699 VanDerWaalsContact C-N 3.28Å; A697-A699 PolarHBondContact O-N 2.86Å; A699-T701 PolarHBondContact O-N 3.03Å
700P30.1Very low32.6Very low96 Ų96124.8 Ų124.862%0.62370%0.701SS**  trans-67.1128.8-167.424.1-33.9000112.9D698 Y702 A703D698-P700 WeakPolarHBondContact O-CD 3.2Å; P700-Y702 PolarHBondContact O-N 2.92Å; P700-A703 HydrophobicContact CG-CB 4.46Å; P700-A703 WeakPolarHBondContact O-CB 3.37Å; P700-A703 PolarHBondContact O-N 3.06Å; P700-A703 VanDerWaalsContact O-N 3.08Å
701T34.8Very low32.7Very low140 Ų140127.7 Ų127.786%0.85969%0.694SS**THydrogen-bonded Turntrans-59.1-7.2-172.4-16.70000115.7A699A699-T701 PolarHBondContact O-N 3.03Å
702Y32.2Very low33.2Very low218 Ų218127.1 Ų127.186%0.85569%0.687SS**THydrogen-bonded Turntrans-104.7-3.3-177.3-64.7-83000114P700 K704P700-Y702 PolarHBondContact O-N 2.92Å; Y702-K704 PolarHBondContact O-N 3.24Å
703A31.2Very low33.7Very low72 Ų72125.4 Ų125.460%0.59567%0.669SS**  trans-76.279.2-176.700000113.1P700 P705P700-A703 HydrophobicContact CG-CB 4.46Å; P700-A703 WeakPolarHBondContact O-CB 3.37Å; P700-A703 PolarHBondContact O-N 3.06Å; P700-A703 VanDerWaalsContact O-N 3.08Å; A703-P705 WeakPolarHBondContact O-CD 3.29Å
704K31.5Very low34.3Very low198 Ų198129 Ų12986%0.86167%0.671SS**  trans-55.3122.4172.2-71.6-174.7178.3-179.70111Y702Y702-K704 PolarHBondContact O-N 3.24Å
705P31Very low35.8Very low108 Ų108131.4 Ų131.470%0.70168%0.676SS**  trans-62.6138.5172.7-21.733.5000111.3A703 T707A703-P705 WeakPolarHBondContact O-CD 3.29Å; P705-T707 PolarHBondContact O-N 2.99Å
706K35.1Very low37.3Very low217 Ų217129.4 Ų129.494%0.94367%0.669SS**  trans-7392.8170.6-72.8-175.6175.9-1790109.4
707T40.1Very low38.5Very low103 Ų103125.5 Ų125.563%0.63266%0.659SS**  trans-74.3130.9-176.140.10000112.7P705 Y711P705-T707 PolarHBondContact O-N 2.99Å; T707-Y711 HydrophobicContact CG2-CG 4.47Å
708G31.1Very low39.5Very low53 Ų53127.1 Ų127.155%0.54666%0.657SS.*  trans-73.4167.7163.500000111.9H710G708-H710 PolarHBondContact O-N 2.82Å
709K35.4Very low40.8Very low206 Ų206124 Ų12490%0.89665%0.647SS**THydrogen-bonded Turntrans-65.922.4-168.1-58.9-171.8176.5-172.90117.2
710H39.5Very low42.4Very low178 Ų178125.4 Ų125.482%0.82464%0.644SS**THydrogen-bonded Turntrans-127.98.8-173.6-63.1-63.3000115G708G708-H710 PolarHBondContact O-N 2.82Å
711Y31.3Very low43.8Very low202 Ų202128 Ų12879%0.79264%0.642SS**  trans-100.4111.2171.8-88.4-91.8000111.3T707T707-Y711 HydrophobicContact CG2-CG 4.47Å
712V41.8Very low45.2Very low89 Ų89126.1 Ų126.154%0.53963%0.625SS.*  trans-83.5132.5167.9-174.40000108.1V716 I717V712-V716 HydrophobicContact CG1-CB 3.69Å; V712-V716 HydrophobicContact CG1-CG1 3.55Å; V712-I717 HydrophobicContact CB-CG1 4.49Å; V712-I717 HydrophobicContact CG1-CG1 3.88Å
713S43.8Very low46.7Very low52 Ų52119.5 Ų119.536%0.36461%0.605SS.*  trans-78.9163.7-177.886.50000112.3E715 V716 I717S713-E715 WeakPolarHBondContact CB-OE2 3.37Å; S713-E715 PolarHBondContact O-N 3.39Å; S713-E715 PolarHBondContact OG-OE2 3.21Å; S713-V716 PolarHBondContact O-N 2.73Å; S713-V716 PolarHBondContact OG-N 2.68Å; S713-I717 WeakPolarHBondContact O-CG1 3.25Å; S713-I717 PolarHBondContact O-N 3.29Å; S713-I717 VanDerWaalsContact O-N 3.08Å
714R42.3Very low48Very low183 Ų183121.4 Ų121.469%0.69160%0.601SS**Hα-helixtrans-60.1-37.4-179.6-173.5-174.5-174-148.23.8111.2I717 Q718R714-I717 PolarHBondContact O-N 2.92Å; R714-Q718 WeakPolarHBondContact O-CG 3.26Å; R714-Q718 PolarHBondContact O-N 2.86Å
715E60.1Low49.1Very low119 Ų119117.4 Ų117.456%0.55658%0.584SS**Hα-helixtrans-66.4-41.1-179.4-53.468-14100110.4S713 Q718 A719S713-E715 WeakPolarHBondContact CB-OE2 3.37Å; S713-E715 PolarHBondContact O-N 3.39Å; S713-E715 PolarHBondContact OG-OE2 3.21Å; E715-Q718 PolarHBondContact O-N 3.35Å; E715-A719 WeakPolarHBondContact O-CB 3.39Å; E715-A719 PolarHBondContact O-N 2.89Å
716V63.1Low50.2Low71 Ų71117.9 Ų117.943%0.4358%0.577SS.*Hα-helixtrans-69.1-37.3175.7178.60000111.5V712 S713 Q718 A719 L720V712-V716 HydrophobicContact CG1-CB 3.69Å; V712-V716 HydrophobicContact CG1-CG1 3.55Å; S713-V716 PolarHBondContact O-N 2.73Å; S713-V716 PolarHBondContact OG-N 2.68Å; V716-Q718 VanDerWaalsContact C-N 3.32Å; V716-A719 PolarHBondContact O-N 3.42Å; V716-L720 HydrophobicContact CG1-CD1 4.1Å; V716-L720 WeakPolarHBondContact O-CB 3.49Å; V716-L720 WeakPolarHBondContact O-CG 3.29Å; V716-L720 PolarHBondContact O-N 2.94Å
717I57.4Low50.9Low81 Ų81113.2 Ų113.242%0.41556%0.558SS.*Hα-helixtrans-65.7-36.4173.2-64.1170.7000111.1V712 S713 R714 R721V712-I717 HydrophobicContact CB-CG1 4.49Å; V712-I717 HydrophobicContact CG1-CG1 3.88Å; S713-I717 WeakPolarHBondContact O-CG1 3.25Å; S713-I717 PolarHBondContact O-N 3.29Å; S713-I717 VanDerWaalsContact O-N 3.08Å; R714-I717 PolarHBondContact O-N 2.92Å; I717-R721 WeakPolarHBondContact O-CG 3.43Å; I717-R721 PolarHBondContact O-N 3.27Å
718Q54.8Low51.3Low92 Ų92116.7 Ų116.743%0.4357%0.565SS.*Hα-helixtrans-70.2-43.1174.3-74.3176.9-60.300111.8R714 E715 V716 R721 I722R714-Q718 WeakPolarHBondContact O-CG 3.26Å; R714-Q718 PolarHBondContact O-N 2.86Å; E715-Q718 PolarHBondContact O-N 3.35Å; V716-Q718 VanDerWaalsContact C-N 3.32Å; Q718-R721 PolarHBondContact O-N 3.31Å; Q718-I722 WeakPolarHBondContact O-CG1 3.49Å; Q718-I722 PolarHBondContact O-N 2.78Å
719A61.2Low52Low54 Ų54118.5 Ų118.545%0.44657%0.569SS.*Hα-helixtrans-59-47.6175.300000111.8E715 V716 R721 I722 D723E715-A719 WeakPolarHBondContact O-CB 3.39Å; E715-A719 PolarHBondContact O-N 2.89Å; V716-A719 PolarHBondContact O-N 3.42Å; A719-R721 VanDerWaalsContact C-N 3.27Å; A719-R721 PolarHBondContact O-N 2.94Å; A719-I722 PolarHBondContact O-N 3.09Å; A719-I722 VanDerWaalsContact O-N 3.07Å; A719-D723 WeakPolarHBondContact O-CB 3.47Å; A719-D723 PolarHBondContact O-N 3Å
720L62.9Low52.2Low101 Ų101112.9 Ų112.953%0.52956%0.556SS.*Hα-helixtrans-60.9-32.8176.1-75.6166.4000113.1V716 Q724V716-L720 HydrophobicContact CG1-CD1 4.1Å; V716-L720 WeakPolarHBondContact O-CB 3.49Å; V716-L720 WeakPolarHBondContact O-CG 3.29Å; V716-L720 PolarHBondContact O-N 2.94Å; L720-Q724 WeakPolarHBondContact O-CB 3.45Å; L720-Q724 WeakPolarHBondContact O-CG 3.46Å; L720-Q724 PolarHBondContact O-N 3.42Å
721R59.3Low52.1Low151 Ų151109.9 Ų109.957%0.5755%0.55SS*.Hα-helixtrans-73.1-34.2173.1-75.6-179.4-179.6-170.11.3113I717 Q718 A719 K725I717-R721 WeakPolarHBondContact O-CG 3.43Å; I717-R721 PolarHBondContact O-N 3.27Å; Q718-R721 PolarHBondContact O-N 3.31Å; A719-R721 VanDerWaalsContact C-N 3.27Å; A719-R721 PolarHBondContact O-N 2.94Å; R721-K725 WeakPolarHBondContact O-CB 3.22Å; R721-K725 WeakPolarHBondContact O-CG 3.49Å; R721-K725 PolarHBondContact O-N 3.37Å; R721-K725 VanDerWaalsContact O-N 3.09Å
722I65Low52.2Low101 Ų101105.5 Ų105.552%0.51855%0.546SS..Hα-helixtrans-69.7-45.5175.5-67.9163.6000109.6Q718 A719 K725 Q726Q718-I722 WeakPolarHBondContact O-CG1 3.49Å; Q718-I722 PolarHBondContact O-N 2.78Å; A719-I722 PolarHBondContact O-N 3.09Å; A719-I722 VanDerWaalsContact O-N 3.07Å; I722-K725 CarbonylContact O-C 3.57Å; I722-K725 WeakPolarHBondContact O-CB 3.48Å; I722-K725 PolarHBondContact O-N 3.48Å; I722-K725 VanDerWaalsContact O-N 3.14Å; I722-Q726 WeakPolarHBondContact O-CG 3.41Å; I722-Q726 PolarHBondContact O-N 3.45Å
723D62.4Low51.7Low78 Ų78109.3 Ų109.342%0.41756%0.563SS.*Hα-helixtrans-64.2-44.7178.9-168.349.6000111.9A719 K725 Q726 Q727A719-D723 WeakPolarHBondContact O-CB 3.47Å; A719-D723 PolarHBondContact O-N 3Å; D723-K725 VanDerWaalsContact C-N 3.32Å; D723-K725 PolarHBondContact O-N 3.39Å; D723-Q726 PolarHBondContact O-N 3.19Å; D723-Q726 VanDerWaalsContact O-N 3.16Å; D723-Q727 WeakPolarHBondContact O-CG 3.41Å; D723-Q727 PolarHBondContact O-N 2.88Å; D723-Q727 PolarHBondContact OD2-NE2 2.86Å; D723-Q727 VanDerWaalsContact OD2-NE2 3.16Å
724Q59.1Low51.3Low112 Ų112113.5 Ų113.552%0.52358%0.582SS.*Hα-helixtrans-59-41170.3-79.9-171.4-17.100112.5L720 Q726 Q727 F728L720-Q724 WeakPolarHBondContact O-CB 3.45Å; L720-Q724 WeakPolarHBondContact O-CG 3.46Å; L720-Q724 PolarHBondContact O-N 3.42Å; Q724-Q726 VanDerWaalsContact C-N 3.34Å; Q724-Q726 PolarHBondContact O-N 2.81Å; Q724-Q727 PolarHBondContact O-N 2.79Å; Q724-F728 WeakPolarHBondContact O-CD2 3.49Å; Q724-F728 PolarHBondContact O-N 2.87Å
725K54Low51.1Low115 Ų115111.6 Ų111.650%0.559%0.59SS.*Hα-helixtrans-65.8-34.9176.1-81.2-175.5177.1-171.10112.8R721 I722 D723 F728 S729 D1007R721-K725 WeakPolarHBondContact O-CB 3.22Å; R721-K725 WeakPolarHBondContact O-CG 3.49Å; R721-K725 PolarHBondContact O-N 3.37Å; R721-K725 VanDerWaalsContact O-N 3.09Å; I722-K725 CarbonylContact O-C 3.57Å; I722-K725 WeakPolarHBondContact O-CB 3.48Å; I722-K725 PolarHBondContact O-N 3.48Å; I722-K725 VanDerWaalsContact O-N 3.14Å; D723-K725 VanDerWaalsContact C-N 3.32Å; D723-K725 PolarHBondContact O-N 3.39Å; K725-F728 PolarHBondContact O-N 3.41Å; K725-S729 VanDerWaalsContact O-CB 3.31Å; K725-S729 WeakPolarHBondContact O-CB 3.29Å; K725-S729 PolarHBondContact O-N 2.81Å; K725-S729 PolarHBondContact O-OG 3.18Å; K725-D1007 IonicContact NZ-OD2 3.62Å; K725-D1007 PolarHBondContact NZ-OD2 3Å
726Q54.6Low49.8Very low118 Ų118115.8 Ų115.855%0.55161%0.607SS**Hα-helixtrans-70.4-39175.2-72.4-177.1-300112.1I722 D723 Q724 F728 S729 S730I722-Q726 WeakPolarHBondContact O-CG 3.41Å; I722-Q726 PolarHBondContact O-N 3.45Å; D723-Q726 PolarHBondContact O-N 3.19Å; D723-Q726 VanDerWaalsContact O-N 3.16Å; Q724-Q726 VanDerWaalsContact C-N 3.34Å; Q724-Q726 PolarHBondContact O-N 2.81Å; Q726-F728 VanDerWaalsContact C-N 3.31Å; Q726-F728 PolarHBondContact O-N 3.45Å; Q726-S729 PolarHBondContact O-N 3.31Å; Q726-S729 PolarHBondContact O-OG 2.82Å; Q726-S730 PolarHBondContact O-N 2.96Å; Q726-S730 PolarHBondContact O-OG 3Å
727Q51Low48.3Very low119 Ų119115.2 Ų115.256%0.55662%0.615SS**Hα-helixtrans-64.7-32.1172.6-68.7178.623.700112.7D723 Q724 S730D723-Q727 WeakPolarHBondContact O-CG 3.41Å; D723-Q727 PolarHBondContact O-N 2.88Å; D723-Q727 PolarHBondContact OD2-NE2 2.86Å; D723-Q727 VanDerWaalsContact OD2-NE2 3.16Å; Q724-Q727 PolarHBondContact O-N 2.79Å; Q727-S730 PolarHBondContact O-OG 2.71Å
728F47Very low47.2Very low176 Ų176122 Ų12277%0.77264%0.642SS**Hα-helixtrans-87-11.3172.9-74.4-63.9000115Q724 K725 Q726Q724-F728 WeakPolarHBondContact O-CD2 3.49Å; Q724-F728 PolarHBondContact O-N 2.87Å; K725-F728 PolarHBondContact O-N 3.41Å; Q726-F728 VanDerWaalsContact C-N 3.31Å; Q726-F728 PolarHBondContact O-N 3.45Å
729S45.6Very low46Very low90 Ų90120.7 Ų120.763%0.62965%0.654SS**THydrogen-bonded Turntrans-97.99.8174.477.40000113.9K725 Q726K725-S729 VanDerWaalsContact O-CB 3.31Å; K725-S729 WeakPolarHBondContact O-CB 3.29Å; K725-S729 PolarHBondContact O-N 2.81Å; K725-S729 PolarHBondContact O-OG 3.18Å; Q726-S729 PolarHBondContact O-N 3.31Å; Q726-S729 PolarHBondContact O-OG 2.82Å
730S39.3Very low44.4Very low88 Ų88125.8 Ų125.862%0.61567%0.673SS**  trans-116.735.5-176.242.50000113.2Q726 Q727Q726-S730 PolarHBondContact O-N 2.96Å; Q726-S730 PolarHBondContact O-OG 3Å; Q727-S730 PolarHBondContact O-OG 2.71Å
731V38.1Very low42.9Very low115 Ų115126.7 Ų126.770%0.69769%0.687SS**SBendtrans-108.2128.4162.6-178.20000107.7D733V731-D733 PolarHBondContact O-N 3.29Å
732P32.9Very low41.6Very low110 Ų110124 Ų12471%0.71469%0.691SS**  trans-74.3126.7-173.628-34.3000112.9N734P732-N734 VanDerWaalsContact C-N 3.3Å; P732-N734 PolarHBondContact O-N 3.3Å
733D32Very low40Very low169 Ų169127.5 Ų127.590%0.90471%0.705SS**  trans-66.480.3169.9-83-45.9000111.3V731V731-D733 PolarHBondContact O-N 3.29Å
734N36.4Very low38.5Very low141 Ų141130.9 Ų130.975%0.75472%0.72SS**  trans-15250.7-177-116.2-21.2000116.4P732P732-N734 VanDerWaalsContact C-N 3.3Å; P732-N734 PolarHBondContact O-N 3.3Å
735V37.1Very low37.1Very low142 Ų142132.7 Ų132.786%0.86173%0.734SS**  trans-13590.2150.8-172.60000110.4
736K33.3Very low36.1Very low208 Ų208132.7 Ų132.790%0.90475%0.748SS**  trans-79.2134.2156.7-67.7174.2179.1172.70107.6
737G32Very low35Very low59 Ų59131.6 Ų131.661%0.60875%0.754SS**  trans-16125.5-167.100000119.6
738F33Very low34.1Very low222 Ų222134.2 Ų134.297%0.97477%0.766SS**  trans61.3156.4170.1-61.5-90.8000117.3
739G29.5Very low33.5Very low66 Ų66132.6 Ų132.668%0.6877%0.765SS**  cis-134.4136.8-0.900000112.8
740N28.1Very low32.8Very low160 Ų160134.2 Ų134.286%0.85677%0.771SS**  trans-76.6148.4154.4-69.3-25.2000108.7
741C31.6Very low32.6Very low121 Ų121135.2 Ų135.282%0.81878%0.777SS**  -176.4117126.1-87.60000106.5
742S31.4Very low32.5Very low95 Ų95137.2 Ų137.266%0.66478%0.778SS**  74.591.450.681.30000115
743Q31.5Very low32.6Very low174 Ų174139.6 Ų139.681%0.81378%0.783SS**  trans74.6152.2133.8-126170.82.100120.5
744M31.9Very low32.6Very low149 Ų149135 Ų13573%0.73478%0.776SS**  trans74.394.7162-60.8-168.9176.300120.4
745N28.9Very low32.5Very low150 Ų150134.6 Ų134.680%0.80277%0.774SS**  64.4146.7116.9-59.50.6000123.2
746S32.1Very low32.5Very low114 Ų114136 Ų13680%0.79777%0.771SS**  trans86.9120.7153.865.40000121.1
747S33.3Very low32.6Very low96 Ų96130.5 Ų130.567%0.67176%0.758SS**  trans52.4104.614356.60000122.6
748E30.6Very low32.6Very low174 Ų174132.3 Ų132.381%0.81376%0.761SS**  72158.8119.2-66.7175.3174.100122.6
749N33.8Very low32.6Very low141 Ų141130.3 Ų130.375%0.75476%0.755SS**  trans75.176162.7-58-36.9000120
750V32.6Very low32.6Very low124 Ų124132.7 Ų132.775%0.75276%0.761SS**  21.1150116.1-156.60000119.6
751C33.5Very low32.6Very low110 Ų110128.4 Ų128.474%0.74376%0.755SS**  trans91145.4167.7-60.10000116.7
752H36.5Very low32.5Very low157 Ų157128.1 Ų128.173%0.72776%0.755SS**  cis-171.7149.3-32.2-120.4-52.7000109.8
753I35.1Very low32.1Very low159 Ų159130.8 Ų130.882%0.81577%0.767SS**  trans68.2137.2152.6-60.6160.4000118.1
754G32.9Very low31.7Very low73 Ų73130.1 Ų130.175%0.75377%0.768SS**  trans167.582.1169.600000113.6
755N33.5Very low31.5Very low133 Ų133129.3 Ų129.371%0.71177%0.772SS**  trans-94171-178.8-78.1-14.8000113.1
756H37.5Very low31.5Very low171 Ų171127 Ų12779%0.79277%0.766SS**  trans78.5146.4161.4-49.5-67.9000116.3
757S35Very low31.1Very low93 Ų93128.9 Ų128.965%0.6577%0.766SS**  cis-169.8171.8-1951.60000109.2
758S33Very low30.9Very low96 Ų96129.3 Ų129.367%0.67177%0.765SS**  trans61.9144.9151.943.40000118.5
759E32.2Very low30.8Very low180 Ų180129.6 Ų129.684%0.84177%0.767SS**  cis-154.1172.7-6.4-123.9167.5163.500112.2
760S28.8Very low30.5Very low116 Ų116126 Ų12681%0.81176%0.757SS**  trans-54.1144.6178.550.20000116.1
761G28.5Very low30.4Very low70 Ų70130.2 Ų130.272%0.72277%0.765SS**  trans-16897.7168.400000114.6
762S29.3Very low30.2Very low116 Ų116128.7 Ų128.781%0.81177%0.768SS**  trans28.5112.315755.60000120.2L764S762-L764 PolarHBondContact O-N 3.44Å; S762-L764 VanDerWaalsContact O-N 3.16Å
763T24.1Very low29.9Very low150 Ų150125 Ų12592%0.9277%0.772SS**  trans-67.3103.6165.845.90000112.9
764L23.2Very low29.5Very low161 Ų161124.6 Ų124.684%0.84377%0.771SS**  trans-155.586.4164-103.2176.5000111.2S762S762-L764 PolarHBondContact O-N 3.44Å; S762-L764 VanDerWaalsContact O-N 3.16Å
765T27.9Very low29.4Very low131 Ų131126 Ų12680%0.80478%0.776SS**  trans-148.2115.3167.340.40000108.4
766C27.3Very low29.1Very low101 Ų101124.5 Ų124.568%0.68277%0.772SS**  85.1117.969.2-73.60000111.4
767L25.5Very low28.6Very low154 Ų154126.7 Ų126.781%0.80678%0.779SS**  76.6146.2109.6-59172.8000111.6
768T29.2Very low28.2Very low105 Ų105130.4 Ų130.464%0.64478%0.784SS**  cis-160.1141.646.3-67.60000110.1
769E27.4Very low28.1Very low181 Ų181135.1 Ų135.185%0.84679%0.788SS**  trans32.3150.6146.3-67.9153.6-149.800122.3
770A28.3Very low28Very low66 Ų66133.9 Ų133.955%0.54578%0.78SS.*  cis-163.1-176.82.700000112
771F30.8Very low27.9Very low212 Ų212137 Ų13793%0.9378%0.782SS**  trans77.7132.1168.3-46.4-75.6000117.2
772G28.4Very low28Very low77 Ų77143.4 Ų143.479%0.79479%0.79SS**  cis164.1135-9.800000112.6
773G30.6Very low28.1Very low79 Ų79144 Ų14481%0.81479%0.791SS**  trans85.7103.2-179.700000113.4
774N26.8Very low28.4Very low151 Ų151142.2 Ų142.281%0.80778%0.784SS**  cis86.889.427.1-161.123.4000115.5
775A31Very low28.7Very low104 Ų104141 Ų14186%0.8678%0.779SS**  trans-149114.515900000109.2
776V25.7Very low28.9Very low101 Ų101141.7 Ų141.761%0.61278%0.778SS**  trans-116.3136.2-175.1171.60000109.8
777F28.8Very low29.1Very low217 Ų217142.4 Ų142.495%0.95278%0.781SS**  trans-145.9137.8146.4-101.6-72.9000112.4
778K26.4Very low29.3Very low170 Ų170139.5 Ų139.574%0.73978%0.779SS**  trans-112.1159.4173.5-64.3172.3178.4175.10108.3
779Y29.1Very low29.3Very low196 Ų196143 Ų14377%0.76979%0.788SS**  -176.1142.6118-111.7-139.2000115.3
780K30.8Very low29.4Very low153 Ų153143.2 Ų143.267%0.66579%0.787SS**  trans25.3120.3149.7-58.9-177-176.9-176.90119.7
781Q27.7Very low29.6Very low181 Ų181148.5 Ų148.585%0.84680%0.797SS**  66.6108.968.9-74.3-173.1-29.700116.7
782K30.3Very low29.6Very low205 Ų205144.8 Ų144.889%0.89179%0.792SS**  -174144.9113.2-106.4-173.9176-172.20112.6
783P30.8Very low30Very low128 Ų128145.5 Ų145.583%0.83178%0.783SS**  trans-104.6168.1172.639.5-33.5000113.4
784S31.4Very low30Very low113 Ų113150.2 Ų150.279%0.7978%0.781SS**  trans-158.8155.5163.9-170.60000113.1
785N28.5Very low30.1Very low135 Ų135152.1 Ų152.172%0.72278%0.778SS**  trans-63.2177.2179.1-42.9-18.9000112.9
786D31.8Very low30.3Very low147 Ų147151.8 Ų151.879%0.78677%0.767SS**  cis-159.3159.432.1-117.9-35.6000114.4
787P31.6Very low30.6Very low116 Ų116153.9 Ų153.975%0.75378%0.78SS**  trans-115.3127.4172.536.5-23.4000114.3
788A29.9Very low30.7Very low92 Ų92148.9 Ų148.976%0.7677%0.768SS**  trans-148.9121.5172.600000115.7
789Q28.3Very low31Very low178 Ų178147.1 Ų147.183%0.83277%0.771SS**  trans30132.4137.9-48.8177.320.800120.8
790F31.6Very low31.1Very low187 Ų187144.3 Ų144.382%0.8277%0.77SS**  -161.599.4126.5-111.9-75.7000114.5
791K32.1Very low31.2Very low177 Ų177143.6 Ų143.677%0.7778%0.777SS**  trans56.7146.3139.6-58.5-173.3-174.5-179.10124.4
792T30.1Very low31.5Very low133 Ų133139.4 Ų139.482%0.81677%0.768SS**  trans-111.5-157.3-175.245.50000110.6
793P36.2Very low31.6Very low93 Ų93135.9 Ų135.960%0.60476%0.759SS**  -125.7-134.7-59.538.1-23.6000113.1
794F30.5Very low31.7Very low177 Ų177139.7 Ų139.778%0.77676%0.763SS**  trans98.4140.6169.2-68-96.3000118.5
795Y29Very low31.6Very low192 Ų192140 Ų14075%0.75376%0.756SS**  cis-165.9-159.8-33.5-125.4-59.6000110.5
796P35.2Very low31.6Very low96 Ų96143.3 Ų143.362%0.62376%0.764SS**  trans-121.7-163.9-137.948.5-32.7000116.7
797V33.6Very low31.4Very low146 Ų146140.8 Ų140.889%0.88575%0.754SS**  trans-159.8157.2139.5132.20000111.2
798T30.2Very low31.2Very low112 Ų112143.1 Ų143.169%0.68775%0.753SS**  trans-150.7146.4-162.353.30000116.3
799T33.5Very low31.1Very low133 Ų133146.8 Ų146.882%0.81675%0.754SS**  trans-168.2132.7150.626.30000107.9
800N31.2Very low31Very low137 Ų137143.8 Ų143.873%0.73375%0.748SS**  cis75.9129.348.8-6023000111.8
801V31.8Very low31Very low137 Ų137142.1 Ų142.183%0.8375%0.753SS**  cis-158.1178.38.1-110.90000109
802S33.1Very low30.8Very low93 Ų93138.1 Ų138.165%0.6575%0.747SS**  cis-166.4155-0.639.80000112
803D33.5Very low30.9Very low132 Ų132138.9 Ų138.971%0.70675%0.746SS**  trans33.1133143.1-52.1-41.1000125.3
804F33.1Very low30.4Very low207 Ų207145.3 Ų145.391%0.90876%0.759SS**  -160140.6103.8-110.4-74.6000111.8
805N28.8Very low30.2Very low120 Ų120143.1 Ų143.164%0.64276%0.76SS**  trans-105161.5-175.4-81-68.1000113.2
806F29.5Very low30.3Very low204 Ų204140.7 Ų140.790%0.89577%0.765SS**  -167.2155.9120.3-107.5-70.1000113.1
807V27.1Very low29.9Very low94 Ų94140.5 Ų140.557%0.5777%0.771SS**  trans-143.2150.3-166.8-156.40000106.3
808F26.7Very low29.8Very low166 Ų166138.9 Ų138.973%0.72877%0.766SS**  172.8144.484-106.9-64000115.4
809Q28.3Very low29.8Very low168 Ų168142.5 Ų142.579%0.78578%0.775SS**  trans58175.1135.8-97.4169.58.200124.3
810T26.8Very low29.8Very low116 Ų116141.9 Ų141.971%0.71278%0.776SS**  trans-121.5152.2-161.452.20000112.5
811T31.6Very low29.9Very low151 Ų151140.9 Ų140.993%0.92677%0.771SS**  179.5171.8129.324.20000112.7
812S26.8Very low30Very low93 Ų93142.8 Ų142.865%0.6577%0.768SS**  trans-93.7145.9177.9162.10000112
813N31.8Very low30Very low149 Ų149143.2 Ų143.280%0.79777%0.771SS**  179.5118.2121.1-86.8-21.1000116.3
814R27.1Very low29.8Very low228 Ų228144.2 Ų144.286%0.8678%0.776SS**  35.8139.8129.8-123.5-173.6-178.3-178.30.6123.3
815V26.1Very low29.8Very low131 Ų131142.9 Ų142.979%0.79477%0.769SS**  trans62.7153.9161-106.60000116.8
816V31.1Very low30Very low142 Ų142143.9 Ų143.986%0.86178%0.775SS**  cis-129.21767.4-170.80000110.5
817A26.2Very low29.9Very low91 Ų91138.9 Ų138.975%0.75277%0.765SS**  trans-119.4154.8-170.800000116.3
818S31.4Very low30Very low113 Ų113143.8 Ų143.879%0.7977%0.773SS**  trans-159109.2150.748.50000107.9
819Q30.7Very low30.1Very low188 Ų188141.7 Ų141.788%0.87978%0.776SS**  84.1141.278.5-87.1-161.6-3.300115.8
820S33.6Very low30Very low119 Ų119143.2 Ų143.283%0.83278%0.776SS**  trans81.5143.5172.178.20000119.5
821D33.2Very low30.1Very low117 Ų117144.7 Ų144.763%0.62678%0.778SS**  cis-163.1153.3-38.8-156.1-0.6000111.9
822K34.2Very low29.8Very low177 Ų177144.3 Ų144.377%0.7777%0.771SS**  trans61.3148.3168.7-65.4131.9-178.5148.40116.9
823S31.8Very low29.8Very low101 Ų101148.7 Ų148.771%0.70678%0.783SS**  cis-145.8134.2271.20000110
824L30.2Very low29.4Very low154 Ų154150.5 Ų150.581%0.80678%0.784SS**  52.4127.8105.9-72.4150.5000115.7
825K32.5Very low29.6Very low178 Ų178144.8 Ų144.877%0.77478%0.777SS**  cis-146.1158.929.9-66.6-179.8178.2175.30114.6
826N32.5Very low29.6Very low142 Ų142145.4 Ų145.476%0.75978%0.775SS**  trans60.4106.1156.4-61.87.1000118.6
827S29.2Very low29.6Very low98 Ų98146.1 Ų146.169%0.68577%0.774SS**  83.9135.155.872.80000114.5
828R28.3Very low29.7Very low198 Ų198148.4 Ų148.475%0.74777%0.773SS**  cis-164.4144.2-4.4-112.2176.4-175.1-178.50.8108
829P29Very low29.7Very low122 Ų122152.2 Ų152.279%0.79278%0.778SS**  trans-85.2160.2164.135.7-33.5000111.5
830Y26.7Very low29.8Very low199 Ų199150.2 Ų150.278%0.7877%0.774SS**  trans-144.1157.2168.4-101.8-80.3000112.7
831I27.7Very low29.6Very low147 Ų147148.3 Ų148.375%0.75477%0.773SS**  trans-115.3153.8-171.6-72.2164.7000109.8
832N25.3Very low29.3Very low144 Ų144150.9 Ų150.977%0.7779%0.786SS**  trans15.3131165.5-61.6-8.9000120.1
833M26.3Very low29.1Very low185 Ų185151.7 Ų151.791%0.91179%0.792SS**  -161.2136.4123.8-108.6160.764.800111.4
834F25.2Very low28.7Very low187 Ų187152.1 Ų152.182%0.8279%0.792SS**  trans-86145.3169-79.1-95.6000110.3
835P30.5Very low28.5Very low108 Ų108152.3 Ų152.370%0.70179%0.794SS**  trans-90.6105.2157.932.8-26.8000110.3N837P835-N837 PolarHBondContact O-N 3.23Å
836N26.7Very low28.5Very low143 Ų143149.3 Ų149.377%0.76580%0.795SS**  trans-79.9105164.6-82.8-7.9000109.1L838N836-L838 PolarHBondContact O-N 2.79Å
837N31.1Very low28.2Very low157 Ų157149.5 Ų149.584%0.8479%0.791SS**  trans-92.496.1169.3-76.8-2.5000109.7P835P835-N837 PolarHBondContact O-N 3.23Å
838L28.1Very low28.4Very low139 Ų139152.4 Ų152.473%0.72879%0.791SS**  trans-66.8137.4168.4-82.5141.1000110.7N836N836-L838 PolarHBondContact O-N 2.79Å
839H31Very low28.7Very low194 Ų194149.4 Ų149.490%0.89879%0.79SS**  trans-158.961155.3-111.3-54.8000111.4
840D33.7Very low28.8Very low146 Ų146148.8 Ų148.878%0.78179%0.789SS**PPolyproline II helixtrans-71.2128.2160.8-76.2-55.5000109.5
841G28.2Very low29.2Very low79 Ų79143.9 Ų143.981%0.81478%0.783SS**PPolyproline II helixtrans-85.4116.7179.100000111.6
842L26.8Very low29.3Very low171 Ų171144.3 Ų144.390%0.89579%0.786SS**PPolyproline II helixtrans-48.9137.1-179.3-62.6164.6000114.9
843Q29.5Very low29.6Very low193 Ų193144.7 Ų144.790%0.90279%0.786SS**  trans-138156134.2-87.2-161.3-23.500110.4
844P25.1Very low29.6Very low110 Ų110142.3 Ų142.371%0.71478%0.782SS**  trans-116158.9-146.140.2-31.9000117.8
845L25.7Very low29.9Very low159 Ų159138.3 Ų138.383%0.83278%0.778SS**  trans41.6112.8150.8-85.673.8000121.2
846S31.3Very low29.9Very low114 Ų114137.9 Ų137.980%0.79778%0.777SS**  -157.4116.4107.744.60000109.1
847E27.7Very low30.2Very low147 Ų147137.6 Ų137.669%0.68778%0.781SS**  53.4106.492.1-103.3-166.1-13300113.3
848K32.8Very low30.1Very low158 Ų158134.4 Ų134.469%0.68777%0.771SS**  -175.2164.264.9-103.5177.2173.784.30113.6
849N33.8Very low30.1Very low135 Ų135133.7 Ų133.772%0.72277%0.772SS**  trans63.8105.6150.3-62.32.3000118.6
850S32Very low30.2Very low110 Ų110133 Ų13377%0.76977%0.769SS**  94.7140.371.768.10000113
851S33.7Very low29.8Very low95 Ų95131.3 Ų131.366%0.66477%0.769SS**  cis-162.1147.411.438.60000114
852I30.7Very low30Very low156 Ų156134.5 Ų134.580%0.877%0.773SS**  32.3136.4124.7-21.6158.7000117.3
853I32Very low30.1Very low152 Ų152135.5 Ų135.578%0.77977%0.773SS**  -157.1156.453.4-66159.9000112.9
854T25.8Very low30.4Very low135 Ų135131 Ų13183%0.82876%0.763SS**  trans-124.2132.1174.552.40000114.2
855S32.3Very low30.8Very low104 Ų104134.3 Ų134.373%0.72777%0.768SS**  trans174.9142.7160.548.20000109.3
856S29.2Very low31.1Very low98 Ų98133.3 Ų133.369%0.68576%0.764SS**  cis128.6138.3-0.262.20000110
857T32.8Very low31.3Very low137 Ų137134.6 Ų134.684%0.8477%0.766SS**  trans63.9152.1175.557.30000118.3
858S29.1Very low31.7Very low91 Ų91130.7 Ų130.764%0.63677%0.765SS**  cis-167.9163.4-30.257.30000112.3
859T29Very low31.6Very low123 Ų123130.5 Ų130.576%0.75577%0.772SS**  trans71.3145.2147.839.60000123.7
860Q32.1Very low31.7Very low180 Ų180134.3 Ų134.384%0.84178%0.782SS**  trans77.787.9155-71178.621.800122.6
861S27Very low31.7Very low111 Ų111136.5 Ų136.578%0.77678%0.78SS**  30.6125.4110.6171.50000121.3
862T30.8Very low31.6Very low145 Ų145140 Ų14089%0.8979%0.786SS**  -160.1158.3129.81.70000112.5
863H30.2Very low31.6Very low192 Ų192138.8 Ų138.889%0.88978%0.781SS**  trans-106.3151.4178.5-91.2-60.9000111.9
864S34.5Very low31.4Very low99 Ų99137.2 Ų137.269%0.69278%0.779SS**  trans-167.6127.1143.250.70000113.7
865H35Very low31.6Very low179 Ų179137.2 Ų137.283%0.82977%0.773SS**  44.7153.4129.4-60.6-51.6000123.5
866N32Very low31.5Very low139 Ų139140 Ų14074%0.74378%0.775SS**  cis-173.2-175.3-24.6-159.2-2.8000108.4
867V35.4Very low31.5Very low140 Ų140142.5 Ų142.585%0.84878%0.779SS**  trans77.3135.1169.7-1670000115.3
868G34.5Very low31.3Very low65 Ų65141.4 Ų141.467%0.6777%0.772SS**  cis-174.6151.2-5.400000115.4
869N32.6Very low31.3Very low154 Ų154143.5 Ų143.582%0.82478%0.776SS**  trans-39147-171.8-50.1-10.8000120.1
870K34.9Very low31.2Very low216 Ų216144.5 Ų144.594%0.93978%0.777SS**  -152.7165.2118.2-108.8168.4-173.1-179.90111.7
871Q32.3Very low30.9Very low156 Ų156143.4 Ų143.473%0.72978%0.775SS**  trans-112.6168.1-150.5-166.178.929.200113.6
872Q31.6Very low31.1Very low169 Ų169143.8 Ų143.879%0.7978%0.778SS**  trans88.3114.2168.2-57.5177.1-37.800113.9
873D30.3Very low30.9Very low130 Ų130143.1 Ų143.170%0.69577%0.769SS**  73.7129.356.6-62.6-43.9000111.7
874V28.7Very low30.7Very low119 Ų119140.6 Ų140.672%0.72176%0.762SS**  cis-153166.76.5101.50000112.3
875D29.5Very low30.2Very low134 Ų134144.4 Ų144.472%0.71777%0.767SS**  trans82.5136162.1-94.8-36.5000124.1
876Q30.1Very low29.6Very low162 Ų162145.8 Ų145.876%0.75777%0.77SS**  trans60.668.2154.3-57.1-167.925.800122
877I28.2Very low29.4Very low152 Ų152146.2 Ų146.278%0.77977%0.772SS**  60.7101109.1-61.6171.4000117.9
878T29.8Very low28.9Very low113 Ų113145 Ų14569%0.69377%0.766SS**  trans78.591.7138.8-49.80000119.9
879N29Very low28.5Very low135 Ų135150.2 Ų150.272%0.72278%0.776SS**  37.5110.1123.8-53.9-20.2000118.1
880N26.2Very low28.2Very low145 Ų145150.2 Ų150.278%0.77578%0.775SS**  46.694.777-66.7-30.6000114.5
881I26.3Very low27.9Very low156 Ų156145.9 Ų145.980%0.877%0.767SS**  177.3108.6102.5-82.2151.7000107.9
882S30.3Very low27.6Very low119 Ų119145.6 Ų145.683%0.83277%0.771SS**  trans-150.6112.7163.651.40000109.9
883N27Very low27.5Very low132 Ų132144.2 Ų144.271%0.70677%0.768SS**  trans-81.1137.5-179.7-56.2-39.8000110
884N26.1Very low27.3Very low138 Ų138143.8 Ų143.874%0.73877%0.769SS**  158.3141.7112.3-85.1-43.2000115.6
885F23.5Very low27.2Very low180 Ų180147.5 Ų147.579%0.78978%0.776SS**  trans51.194.1150.7-79.3-91.8000120.3
886K23.4Very low27Very low208 Ų208149.9 Ų149.990%0.90478%0.78SS**PPolyproline II helixtrans-84.3118.5154.9-167.7177.6-172.51790108.6
887L27.1Very low26.8Very low148 Ų148147.3 Ų147.378%0.77577%0.771SS**PPolyproline II helixtrans-96.8154.6171.3-84.1165.7000110.5
888P25.4Very low26.9Very low114 Ų114145.9 Ų145.974%0.7477%0.772SS**PPolyproline II helixtrans-79.9157.5-161.931.6-36.7000114.5
889M26.9Very low26.9Very low175 Ų175149 Ų14986%0.86278%0.776SS**SBendtrans-65.7132.5156.5-69.3-74.7-166.200109
890D25.5Very low26.9Very low153 Ų153149.4 Ų149.482%0.81877%0.773SS**  trans147.182.8148.7-79.1-9.8000111.1
891T28.4Very low26.8Very low126 Ų126153.6 Ų153.677%0.77378%0.78SS**  trans-156.253.2163.6-21.10000112.4I893T891-I893 VanDerWaalsContact C-N 3.26Å; T891-I893 PolarHBondContact O-N 3.04Å
892D26.1Very low26.9Very low150 Ų150151.8 Ų151.880%0.80278%0.776SS**  trans-76.368.7-175.7-132.9-19.7000112.5
893I28.8Very low26.7Very low140 Ų140152.5 Ų152.572%0.71877%0.77SS**  trans-128.3104.5-173-65.8-175.2000111.3T891T891-I893 VanDerWaalsContact C-N 3.26Å; T891-I893 PolarHBondContact O-N 3.04Å
894V28.1Very low26.9Very low121 Ų121154.4 Ų154.473%0.73378%0.78SS**  trans77.655.3169.6-158.30000117.8K896V894-K896 HydrophobicContact CG1-CB 4.1Å; V894-K896 PolarHBondContact O-N 3.43Å
895F25.2Very low27.2Very low197 Ų197151.4 Ų151.486%0.86476%0.763SS**  trans-7184.8149-86.3-80000111.3
896K26.1Very low27.4Very low183 Ų183146 Ų14680%0.79676%0.758SS**  trans-135.318.6178.9-92.8-169.6179.7175.10118.8V894V894-K896 HydrophobicContact CG1-CB 4.1Å; V894-K896 PolarHBondContact O-N 3.43Å
897N26.5Very low27.8Very low108 Ų108139.5 Ų139.558%0.57873%0.733SS**  trans-167.3106.7151.8-122.1-52.4000114.6K899N897-K899 PolarHBondContact O-N 2.9Å
898P28.4Very low27.9Very low123 Ų123141.3 Ų141.380%0.79974%0.737SS**THydrogen-bonded Turntrans-76.81.7175.331.2-35000114.2
899K30.6Very low28.2Very low179 Ų179142.3 Ų142.378%0.77873%0.73SS**THydrogen-bonded Turntrans-94.47.9-174.2-67.5-176.4177.3176.10115.1N897N897-K899 PolarHBondContact O-N 2.9Å
900H29.5Very low28.2Very low143 Ų143139 Ų13966%0.66273%0.725SS**  trans-121.716.9-173.7-78.1-66.9000115.6V902H900-V902 VanDerWaalsContact C-N 3.32Å; H900-V902 PolarHBondContact O-N 3.46Å
901Y24.6Very low28.2Very low232 Ų232135 Ų13591%0.9172%0.719SS**  trans-70.990.9161.8-101.1-87000110.1N903Y901-N903 PolarHBondContact O-N 3.2Å
902V27.3Very low28Very low119 Ų119138.2 Ų138.272%0.72172%0.722SS**  trans-74.5111.8173.7177.40000108.5H900 L904H900-V902 VanDerWaalsContact C-N 3.32Å; H900-V902 PolarHBondContact O-N 3.46Å; V902-L904 PolarHBondContact O-N 3.37Å; V902-L904 VanDerWaalsContact O-N 3.13Å
903N27.4Very low27.8Very low133 Ų133137.7 Ų137.771%0.71173%0.725SS**  trans-56.2118.5167.4-94.5-16000109.6Y901 L905Y901-N903 PolarHBondContact O-N 3.2Å; N903-L905 PolarHBondContact O-N 3.34Å
904L30.3Very low27.6Very low173 Ų173137.5 Ų137.591%0.90673%0.73SS**SBendtrans-63.6-9.1174-78.9161.1000113.2V902V902-L904 PolarHBondContact O-N 3.37Å; V902-L904 VanDerWaalsContact O-N 3.13Å
905L32.5Very low27.4Very low74 Ų74139.2 Ų139.239%0.38773%0.734SS.*SBendtrans-108.4108.2168.4-61.5172.3000108.8N903 L907N903-L905 PolarHBondContact O-N 3.34Å; L905-L907 PolarHBondContact O-N 3.07Å
906G27.5Very low27.3Very low66 Ų66136.3 Ų136.368%0.6873%0.728SS**  trans-72.356.6-177.200000114.6
907L32.5Very low27.4Very low73 Ų73136.1 Ų136.138%0.38273%0.73SS.*  trans-126.674.2-173.6-66.1176000111.1V61 L905 K909V61-L907 HydrophobicContact CB-CD1 3.86Å; V61-L907 HydrophobicContact CG2-CD1 3.86Å; L905-L907 PolarHBondContact O-N 3.07Å; L907-K909 PolarHBondContact O-N 3.39Å
908Q29.5Very low27.4Very low185 Ų185135.4 Ų135.486%0.86473%0.733SS**  trans-78.375.1172.1-166.4175.330.400110.6S910Q908-S910 PolarHBondContact O-N 2.84Å
909K30.7Very low27.2Very low136 Ų136137.5 Ų137.559%0.59174%0.737SS**  trans-76.3119.6176.5-132-175.3-178.5-169.40110.2L907 G911L907-K909 PolarHBondContact O-N 3.39Å; K909-G911 PolarHBondContact O-N 3.19Å
910S26.4Very low27.1Very low106 Ų106133.2 Ų133.274%0.74174%0.735SS**SBendtrans-66.4113.7171.252.70000110.3Q908Q908-S910 PolarHBondContact O-N 2.84Å
911G25.2Very low26.8Very low68 Ų68132.8 Ų132.870%0.70174%0.743SS**  trans138.962.5176.200000114.7K909K909-G911 PolarHBondContact O-N 3.19Å
912F24.8Very low26.8Very low193 Ų193127.1 Ų127.185%0.84673%0.732SS**  trans-130.9113.9158.5-82.5-79.8000108.6V914F912-V914 PolarHBondContact O-N 3.16Å
913T22.7Very low26.6Very low140 Ų140131.5 Ų131.586%0.85974%0.737SS**  trans-71.2113.5163.617.80000108L915T913-L915 PolarHBondContact O-N 3.39Å
914V24.7Very low26.3Very low136 Ų136134.4 Ų134.482%0.82474%0.74SS**  trans-69.6121.8167.2178.10000107.1F912F912-V914 PolarHBondContact O-N 3.16Å
915L23.8Very low26.1Very low157 Ų157133.4 Ų133.482%0.82273%0.734SS**  trans-66.4134.9174.6-78.2167.5000109.7T913 H917T913-L915 PolarHBondContact O-N 3.39Å; L915-H917 PolarHBondContact O-N 2.73Å
916N23.2Very low25.7Very low135 Ų135136.1 Ų136.172%0.72275%0.749SS**  trans-90.299.8-163.7-168.144.1000111.7
917H26.9Very low25.5Very low180 Ų180142.2 Ų142.283%0.83376%0.757SS**  trans-127.898.4167.1-78.5-67.3000109.8L915L915-H917 PolarHBondContact O-N 2.73Å
918S26.7Very low25.2Very low92 Ų92143.9 Ų143.964%0.64378%0.775SS**  trans-118.871.3-174.260.20000111.4
919D25.3Very low25.1Very low167 Ų167140.7 Ų140.789%0.89377%0.77SS**  trans-118.964.4172.1-78.8-52.2000110.6
920A26.7Very low25Very low90 Ų90141.1 Ų141.174%0.74478%0.779SS**  trans-151.8118.4170.200000110.5
921T23.9Very low25.2Very low133 Ų133142.8 Ų142.882%0.81678%0.779SS**  trans-72.7132.1-177.722.20000112.5
922V24.7Very low25.4Very low113 Ų113144.9 Ų144.969%0.68578%0.783SS**  trans-104.7115.3175178.20000110Y924V922-Y924 WeakPolarHBondContact O-CD2 3.28Å
923Y22.4Very low25.5Very low211 Ų211139.5 Ų139.583%0.82778%0.782SS**  trans-76.7123.4170.4-72.6-90.3000110.4
924Y21.8Very low25.8Very low194 Ų194143.8 Ų143.876%0.76178%0.782SS**  trans-88.4130.3176.6-75.1-100.7000111.2V922V922-Y924 WeakPolarHBondContact O-CD2 3.28Å
925I25.7Very low26.1Very low152 Ų152145.8 Ų145.878%0.77978%0.78SS**  trans-106.9108.2160-60.5180000107.4F927I925-F927 HydrophobicContact CG2-CD2 4.3Å; I925-F927 HydrophobicContact CG2-CE2 3.87Å
926N23.9Very low26.3Very low132 Ų132144.1 Ų144.171%0.70678%0.78SS**  trans-75.7135.2179.1-83-35.3000111.7
927F24.8Very low26.4Very low193 Ų193148 Ų14885%0.84679%0.791SS**  trans-133.1121.4151.8-77.2-75.5000108.8I925I925-F927 HydrophobicContact CG2-CD2 4.3Å; I925-F927 HydrophobicContact CG2-CE2 3.87Å
928S25.8Very low26.6Very low109 Ų109144.1 Ų144.176%0.76279%0.79SS**  trans-78.9145.2-157.7-52.90000114.8
929P27.6Very low26.6Very low118 Ų118147.2 Ų147.277%0.76680%0.799SS**  trans-81.9131165.133.2-31.7000111.1
930N29Very low27.1Very low145 Ų145143.6 Ų143.678%0.77578%0.784SS**  trans-177.2150.3164.7-97.7-27.3000109.3
931N28.6Very low27.2Very low141 Ų141145.7 Ų145.775%0.75479%0.788SS**  cis-155.6178.1-26.5-145.9-29.6000110
932S29.5Very low27.3Very low112 Ų112144 Ų14478%0.78378%0.782SS**  trans-65.9151.6-177.4660000116.1
933G28.3Very low27.5Very low79 Ų79144.2 Ų144.281%0.81478%0.783SS**  trans-170.774.1179.400000119.5
934R29Very low27.8Very low231 Ų231143 Ų14387%0.87279%0.785SS**  trans13139.9152.2-81.3178169.8177.4-1.5124
935K29.9Very low28.2Very low178 Ų178141.6 Ų141.677%0.77479%0.79SS**  trans83.6116.5136.2-77.3-177.6173.6-168.80122.2
936C28.2Very low28.5Very low121 Ų121139.1 Ų139.182%0.81878%0.784SS**  40.9121.7129.6-490000121.9
937F25Very low28.8Very low217 Ų217140.2 Ų140.295%0.95279%0.788SS**  trans-69.1139.5155.6-73.6-99.7000111.6
938A31.9Very low29Very low98 Ų98135.4 Ų135.481%0.8178%0.778SS**  trans-160.967164.800000112.6
939D27.2Very low29.4Very low158 Ų158136.9 Ų136.985%0.84578%0.778SS**  trans65.6-175.9154.1-130.421.4000117.4
940P35.4Very low29.4Very low90 Ų90136 Ų13658%0.58477%0.774SS**  -127.6-163-11541-21.5000114.5
941T28.3Very low29.6Very low134 Ų134133.3 Ų133.382%0.82277%0.767SS**  trans69.6142.2-178.964.60000115.1
942S27Very low29.8Very low99 Ų99133.9 Ų133.969%0.69277%0.769SS**  cis-166.3-177.9-10.946.20000110.3
943V28.2Very low29.8Very low117 Ų117135 Ų13571%0.70977%0.771SS**  trans78.7110.1159.1-179.10000119.2
944Q29Very low30.1Very low185 Ų185136.2 Ų136.286%0.86476%0.764SS**  trans66.4108.9142.2-72.9170.6-3200123.8
945L28.9Very low30Very low164 Ų164136.9 Ų136.986%0.85977%0.767SS**  trans-48.4167.3133.2-72.4164.7000112.3
946P33Very low30Very low100 Ų100134.8 Ų134.865%0.64977%0.769SS**  cis-157.4-174.939.244.2-21.7000119.7
947I30.3Very low30.3Very low156 Ų156134.7 Ų134.780%0.877%0.767SS**  trans62.6134.7141.1-79.5160.6000119.1
948S29.2Very low30.5Very low91 Ų91128.7 Ų128.764%0.63676%0.757SS**  cis-149.6-138-6.248.50000110
949D33.2Very low30.5Very low141 Ų141129.7 Ų129.775%0.75476%0.758SS**  cis-153.6-1397.2-151.6-94.7000113.7
950S29.2Very low30.8Very low98 Ų98129.3 Ų129.369%0.68576%0.755SS**  trans-118.6-177.5-163.465.30000113.1
951S33.1Very low30.8Very low90 Ų90130.4 Ų130.463%0.62976%0.762SS**  cis-164.1171.120.262.60000114.3
952L32.6Very low30.9Very low152 Ų152130.3 Ų130.380%0.79676%0.756SS**  trans54.4108.7149.5-64.8159.7000119.7
953V29.3Very low31.1Very low135 Ų135133.2 Ų133.282%0.81876%0.762SS**  70.2159.152.7-124.20000115.2
954P33.7Very low31.3Very low105 Ų105133.1 Ų133.168%0.68277%0.767SS**  -128.6-179.1-99.945-30.5000117.5
955R28Very low31.4Very low245 Ų245127.8 Ų127.893%0.92576%0.762SS**  trans-179.9172.2134-102.1164.5178.7143.9-0116.9
956V29.8Very low32Very low135 Ų135125.7 Ų125.782%0.81876%0.758SS**  trans-125.2-167.5-177-124.90000108.6
957P35.2Very low32Very low119 Ų119130.2 Ų130.277%0.77377%0.768SS**  cis-139.6-163.9-5.437.8-14.5000116.8
958A27.1Very low32.1Very low90 Ų90130 Ų13074%0.74477%0.767SS**  trans82.7154154.100000119.4
959S32Very low32.3Very low120 Ų120133.5 Ų133.584%0.83978%0.779SS**  cis-151.7167.69.7-28.50000115.1
960L35.4Very low32.1Very low149 Ų149136.1 Ų136.178%0.7878%0.778SS**  trans-84.3-179.9168.7-82.3164.1000112.3I962L960-I962 HydrophobicContact CD2-CG1 4.46Å
961P33.7Very low32.3Very low113 Ų113137 Ų13773%0.73478%0.782SS**  cis-138.4176.531.234.3-9000117.6
962I31.2Very low32.4Very low133 Ų133138.6 Ų138.668%0.68279%0.79SS**  cis92143.840.7-39.6153.9000115.9L960L960-I962 HydrophobicContact CD2-CG1 4.46Å
963L31.2Very low32.4Very low159 Ų159137 Ų13783%0.83279%0.787SS**  trans96143.3167.9-65.2163000117.6
964S32.1Very low32.6Very low115 Ų115135.9 Ų135.980%0.80478%0.782SS**  cis-154.7172.78.6-98.70000113.6
965G30.9Very low32.6Very low73 Ų73137.1 Ų137.175%0.75379%0.79SS**  trans-116.6-125.2179.800000117.8
966P41.7Very low32.6Very low120 Ų120136.4 Ų136.478%0.77979%0.787SS**  -136.4175.6-101.942.5-28.9000117.7
967F32.6Very low32.5Very low196 Ų196138.5 Ų138.586%0.8679%0.793SS**  trans-144.8128.8161.9-76.9-91.1000108.5
968L33.2Very low32.3Very low150 Ų150138 Ų13879%0.78579%0.788SS**  86.7111.451.9-85.1176.6000115.4
969D33.6Very low32.2Very low166 Ų166140.8 Ų140.889%0.88880%0.796SS**  trans-158.6155.2134.6-140.5-31.7000112.6
970R29.4Very low32.1Very low195 Ų195140.9 Ų140.974%0.73680%0.796SS**  trans-164.8109.7-162.5177.7-166.8152.4-82.46.4118.2
971P33Very low31.8Very low117 Ų117139.5 Ų139.576%0.7680%0.795SS**  trans-143.4-179.8139.340.5-26.6000113.6
972P35.1Very low31.8Very low123 Ų123141.8 Ų141.880%0.79980%0.8SS**  cis-124.5-177.3-16.239.5-23.5000114.5
973T32.6Very low31.7Very low120 Ų120142.1 Ų142.174%0.73680%0.804SS**PPolyproline II helixtrans-96.8145.9-176.7-43.80000113.3
974P32.1Very low31.7Very low110 Ų110142.1 Ų142.171%0.71480%0.803SS**PPolyproline II helixtrans-75.2156.1170.831.3-36000113.3
975P34Very low31.8Very low131 Ų131142.6 Ų142.685%0.85180%0.801SS**PPolyproline II helixtrans-77.2152.1-172.230.9-36.2000114.5
976R28Very low31.9Very low230 Ų230143.3 Ų143.387%0.86880%0.795SS**  trans-95.1114.6-177.9-168.8-176.4-166179.84.1110.1T978R976-T978 HydrophobicContact CG-CG2 4.45Å; R976-T978 PolarHBondContact O-N 3.23Å
977L28.6Very low31.4Very low180 Ų180145.2 Ų145.294%0.94280%0.798SS**  trans-77.7112.6172.1-88.6165.4000110.5
978T29.9Very low31.4Very low109 Ų109139.1 Ų139.167%0.66979%0.791SS**  trans-110.8121.8171.247.30000110.1R976R976-T978 HydrophobicContact CG-CG2 4.45Å; R976-T978 PolarHBondContact O-N 3.23Å
979T25.8Very low31.2Very low148 Ų148140.4 Ų140.491%0.90880%0.799SS**  trans-73.1134.2174.246.90000111.4
980S30.1Very low31.1Very low121 Ų121137.7 Ų137.785%0.84679%0.793SS**  trans-127.5123.7159.454.70000109.4
981T28.6Very low31.1Very low121 Ų121134 Ų13474%0.74280%0.797SS**  trans-76.5148.8171.443.50000110.6
982N33.2Very low31.3Very low160 Ų160135.6 Ų135.686%0.85680%0.798SS**  trans-153.2157.9137.9-102.9-28.2000111.2
983N29.9Very low31Very low140 Ų140135.3 Ų135.375%0.74980%0.795SS**  trans-94.9165.7-164.6-56.1-50.4000113.2
984I32.4Very low30.8Very low159 Ų159139 Ų13982%0.81580%0.802SS**  trans16896.4142.4-88.2153.9000105.6
985T33Very low30.6Very low126 Ų126139.5 Ų139.577%0.77380%0.803SS**  37.3132.392.239.60000115.8
986S33.4Very low30.2Very low88 Ų88139 Ų13962%0.61580%0.799SS**  cis-151.9170.71165.20000113.6
987D31.6Very low30Very low159 Ų159135.4 Ų135.485%0.8579%0.792SS**  trans62.6144.5153.4-47.5-41.1000121.5
988G32.7Very low29.8Very low69 Ų69133 Ų13371%0.71178%0.779SS**  trans121.953.1161.600000118.7
989N27.6Very low29.6Very low176 Ų176135.7 Ų135.794%0.94178%0.784SS**  trans40.781154.2-67.8-18.7000118.3
990S31.2Very low29.6Very low110 Ų110137.2 Ų137.277%0.76978%0.775SS**  trans-131.4126.7153.865.10000111.4I992S990-I992 PolarHBondContact O-N 3.4Å
991S31.2Very low29.4Very low118 Ų118135.8 Ų135.883%0.82577%0.77SS**  trans-82.1101.4-174.456.80000111.1P993S991-P993 WeakPolarHBondContact O-CD 3.34Å
992I35.8Very low29.4Very low150 Ų150138.1 Ų138.177%0.76977%0.773SS**  trans-60.8119.8167.6-59.4175.1000108.2S990 K994S990-I992 PolarHBondContact O-N 3.4Å; I992-K994 PolarHBondContact O-N 3.4Å
993P29.1Very low29.1Very low116 Ų116138.2 Ų138.275%0.75377%0.772SS**  trans-70.6103.6176.328.5-32.6000108.9S991 T995S991-P993 WeakPolarHBondContact O-CD 3.34Å; P993-T995 PolarHBondContact O-N 3.15Å
994K28.6Very low28.9Very low199 Ų199137.2 Ų137.287%0.86577%0.771SS**  trans-54.4115.5172.6-72.3-175.7177.2-1790109.1I992I992-K994 PolarHBondContact O-N 3.4Å
995T28Very low28.7Very low120 Ų120137 Ų13774%0.73677%0.771SS**  trans-59.2127.1166.629.90000108.5P993 Q997P993-T995 PolarHBondContact O-N 3.15Å; T995-Q997 PolarHBondContact O-N 3.26Å
996P24.4Very low28.3Very low119 Ų119135.6 Ų135.677%0.77377%0.766SS**  trans-71.893.3177.728.1-33.2000109.4L998P996-L998 PolarHBondContact O-N 2.84Å
997Q24.9Very low28Very low156 Ų156137.3 Ų137.373%0.72977%0.769SS**  trans-63.199.7163-80.6-176.9-40.200108.4T995 H999T995-Q997 PolarHBondContact O-N 3.26Å; Q997-H999 VanDerWaalsContact C-N 3.29Å; Q997-H999 PolarHBondContact O-N 3.49Å
998L24.3Very low27.8Very low128 Ų128137.6 Ų137.667%0.6776%0.762SS**  trans-7090.7166.2-79.9166.1000108.6P996 Y1000P996-L998 PolarHBondContact O-N 2.84Å; L998-Y1000 HydrophobicContact CB-CD2 3.98Å; L998-Y1000 HydrophobicContact CB-CE2 3.65Å; L998-Y1000 HydrophobicContact CD1-CE2 4.03Å; L998-Y1000 HydrophobicContact CG-CE2 4.29Å; L998-Y1000 PolarHBondContact O-N 3.38Å
999H24.8Very low27.5Very low167 Ų167141.2 Ų141.277%0.77377%0.77SS**  trans-63.785164.9-83.2-103.5000109.5Q997Q997-H999 VanDerWaalsContact C-N 3.29Å; Q997-H999 PolarHBondContact O-N 3.49Å
1000Y26.2Very low27.7Very low179 Ų179139 Ų13970%0.70276%0.758SS**  trans-72.4125.4162.7-75.1-75.1000108.7L998 H1002L998-Y1000 HydrophobicContact CB-CD2 3.98Å; L998-Y1000 HydrophobicContact CB-CE2 3.65Å; L998-Y1000 HydrophobicContact CD1-CE2 4.03Å; L998-Y1000 HydrophobicContact CG-CE2 4.29Å; L998-Y1000 PolarHBondContact O-N 3.38Å; Y1000-H1002 PolarHBondContact O-N 3.34Å; Y1000-H1002 VanDerWaalsContact O-N 3.13Å
1001A27.2Very low27.3Very low92 Ų92138.9 Ų138.976%0.7676%0.757SS**  trans-64.4114.1-177.900000110.5L1003A1001-L1003 PolarHBondContact O-N 3.39Å; A1001-L1003 VanDerWaalsContact O-N 3.08Å
1002H27.4Very low27.1Very low170 Ų170138.4 Ų138.479%0.78775%0.754SS**  trans-67.3104.8165.6-82.4-112.3000108.4Y1000 T1004Y1000-H1002 PolarHBondContact O-N 3.34Å; Y1000-H1002 VanDerWaalsContact O-N 3.13Å; H1002-T1004 PolarHBondContact O-N 2.87Å
1003L26.7Very low26.7Very low162 Ų162138.9 Ų138.985%0.84876%0.755SS**  trans-73.571.8166.5-74.1174.7000109.8A1001 L1005A1001-L1003 PolarHBondContact O-N 3.39Å; A1001-L1003 VanDerWaalsContact O-N 3.08Å; L1003-L1005 VanDerWaalsContact C-N 3.3Å; L1003-L1005 PolarHBondContact O-N 3.07Å
1004T26.4Very low26.6Very low118 Ų118139 Ų13972%0.72475%0.754SS**  trans-69.390.5163.745.10000108.6H1002 S1006H1002-T1004 PolarHBondContact O-N 2.87Å; T1004-S1006 PolarHBondContact O-N 2.62Å
1005L27.6Very low26.5Very low155 Ų155137 Ų13781%0.81275%0.753SS**  trans-57.3107.2163.8-71.1173000107.9L1003 D1007L1003-L1005 VanDerWaalsContact C-N 3.3Å; L1003-L1005 PolarHBondContact O-N 3.07Å; L1005-D1007 PolarHBondContact O-N 2.96Å
1006S25.8Very low26.6Very low97 Ų97139.4 Ų139.468%0.67876%0.758SS**  trans-81.7106.9-177.7-175.60000109.2T1004 K1008T1004-S1006 PolarHBondContact O-N 2.62Å; S1006-K1008 PolarHBondContact O-N 2.76Å
1007D26Very low26.9Very low124 Ų124138.2 Ų138.266%0.66375%0.751SS**  trans-69.618.8177.3-62.6-50.8000113.7K725 L1005 V1009K725-D1007 IonicContact NZ-OD2 3.62Å; K725-D1007 PolarHBondContact NZ-OD2 3Å; L1005-D1007 PolarHBondContact O-N 2.96Å; D1007-V1009 PolarHBondContact O-N 2.84Å
1008K28.7Very low27.1Very low164 Ų164139.2 Ų139.271%0.71376%0.755SS**  trans-88.389.9174-81.6-165.3172.6-176.10111.1S1006 N1010S1006-K1008 PolarHBondContact O-N 2.76Å; K1008-N1010 VanDerWaalsContact C-N 3.26Å; K1008-N1010 PolarHBondContact O-N 2.95Å
1009V26.5Very low27.4Very low145 Ų145142.2 Ų142.288%0.87977%0.766SS**  trans-69.186.3159.8-177.70000108.3D1007D1007-V1009 PolarHBondContact O-N 2.84Å
1010N30.1Very low27.6Very low130 Ų130143.3 Ų143.370%0.69577%0.768SS**  trans-106.9117.1173.1-88.652.9000109.6K1008K1008-N1010 VanDerWaalsContact C-N 3.26Å; K1008-N1010 PolarHBondContact O-N 2.95Å
1011S23.5Very low27.9Very low107 Ų107141.1 Ų141.175%0.74877%0.774SS**  trans-78.2168166.946.30000111.5
1012S26.1Very low28.2Very low109 Ų109141.1 Ų141.176%0.76277%0.768SS**  trans69.7148.8-174.184.20000114.3
1013M27.3Very low28.5Very low160 Ų160139.7 Ų139.779%0.78877%0.766SS**  cis-130.2134.8-2.4-61.5168.16000107.7
1014T28.5Very low28.8Very low117 Ų117138.5 Ų138.572%0.71876%0.761SS**  39.5109.981.141.70000116.9
1015N26.5Very low29.1Very low159 Ų159139.3 Ų139.385%0.8576%0.76SS**  trans59.2131.6164.4-71.5-15.2000119.5
1016M29.8Very low29.4Very low170 Ų170137 Ų13784%0.83775%0.752SS**  -173.7127114.4-95.8-70-85.900111.9
1017C30.7Very low29.6Very low93 Ų93138.5 Ų138.563%0.62875%0.753SS**  trans31116.1149.5-57.90000120.6
1018Q28.2Very low30.1Very low177 Ų177138.5 Ų138.583%0.82775%0.753SS**  68.611174.4-72.8-168.615.700115.9
1019H31.7Very low30.3Very low191 Ų191138.1 Ų138.188%0.88476%0.758SS**  trans-165.9103.3142.7-99.8-79.7000106.8
1020K29.6Very low30.7Very low190 Ų190135 Ų13583%0.82676%0.756SS**  63.891.276.2-98.6-166.4173.4-174.30116.1
1021T32Very low30.9Very low133 Ų133135.6 Ų135.682%0.81676%0.759SS**  -171.6121.9120.430.60000106.5
1022S32.3Very low31.2Very low92 Ų92137.1 Ų137.164%0.64376%0.757SS**  71.7116.791.5123.90000110.8
1023D33.9Very low31.4Very low140 Ų140137 Ų13775%0.74976%0.755SS**  cis-138.7-166.44.3-67.9-63.6000109
1024D33.9Very low31.5Very low137 Ų137135.8 Ų135.873%0.73375%0.751SS**  cis-160.8-174.319.2-160.622.4000113.4
1025L32.7Very low31.4Very low136 Ų136138.4 Ų138.471%0.71276%0.755SS**  trans-37.9151.1170.3-58.3167.4000116.1
1026T33.6Very low31.3Very low105 Ų105135.7 Ų135.764%0.64475%0.748SS**  cis-169.2148.4-0.223.60000110.2
1027N31.1Very low31.4Very low129 Ų129134.4 Ų134.469%0.6975%0.751SS**  trans60.9145.5139.5-6846.7000120.8
1028D34.8Very low31.2Very low124 Ų124138.6 Ų138.666%0.66376%0.761SS**  cis-144.2155.41.5-87.7-38.5000112.4
1029D33.9Very low31.2Very low156 Ų156135.5 Ų135.583%0.83476%0.759SS**  trans35.9127.7148.5-62-17.5000123.7
1030G35.2Very low31.1Very low80 Ų80134.2 Ų134.283%0.82576%0.758SS**  trans-171.944.7179.100000117.5
1031N33.2Very low30.8Very low142 Ų142134.1 Ų134.176%0.75976%0.76SS**  trans-26.7156.2170.1-75.9-15.4000119.1
1032I31.2Very low30.5Very low139 Ų139134.3 Ų134.371%0.71377%0.765SS**  cis-176.1166.9-22.1-123.5173.1000107.8
1033C30.1Very low30.2Very low107 Ų107133.7 Ų133.772%0.72377%0.766SS**  trans66.5162.1169.2-80.70000119.3
1034L29.1Very low30Very low134 Ų134134.7 Ų134.770%0.70277%0.77SS**  168.2126.5-54.2-91.6165.7000109.1
1035H26.6Very low29.6Very low172 Ų172133.5 Ų133.580%0.79677%0.772SS**  trans61.5138.9153.5-70.5-61.1000125
1036S24.9Very low29.5Very low102 Ų102133 Ų13371%0.71378%0.78SS**  trans81.7111.6135.4-177.90000121.3
1037T30.6Very low29.1Very low144 Ų144135.3 Ų135.388%0.88379%0.789SS**  -153.4164.3118.415.70000110.6
1038Q27.7Very low29.3Very low181 Ų181133.4 Ų133.485%0.84678%0.783SS**  trans-106.2-169.8-176.6-66175.5-33.900111.9
1039S27.6Very low28.8Very low111 Ų111134.4 Ų134.478%0.77679%0.789SS**  trans79.5149.3-18081.80000114.9
1040L29.2Very low28.5Very low165 Ų165133.8 Ų133.886%0.86480%0.795SS**  cis-124.3152.414-71.6156.9000113.7
1041Q23.6Very low28Very low188 Ų188135.2 Ų135.288%0.87979%0.793SS**  trans-118.1138.8159.5-89.1-172-26.600109
1042C25.7Very low27.8Very low136 Ų136136.9 Ų136.992%0.91980%0.796SS**  trans171.4152.8158.4-97.80000108
1043A26.3Very low27.5Very low80 Ų80136.1 Ų136.166%0.66180%0.798SS**  cis-165.6-178.1-16.800000109
1044L29Very low27.4Very low161 Ų161138.6 Ų138.684%0.84380%0.799SS**  trans75.7101.5172.6-49175.8000114.7
1045S26.2Very low27.3Very low111 Ų111139.9 Ų139.978%0.77680%0.799SS**  cis78.585.215.494.70000117.7
1046S28.9Very low27.4Very low125 Ų125137.9 Ų137.987%0.87479%0.793SS**  trans-143.9147.4145.255.30000108.9
1047N26.5Very low27.5Very low154 Ų154138.2 Ų138.282%0.82479%0.787SS**  trans-118.7-150.8-168-157.312.6000110.9
1048P34.6Very low27.3Very low89 Ų89141 Ų14158%0.57878%0.781SS**  -113.2-156.5-128.338.9-20000113.6
1049N25.6Very low27.3Very low146 Ų146137.9 Ų137.978%0.78178%0.78SS**  trans89.7105.2171.4-53.1-19.1000116.5
1050C26.6Very low27.1Very low142 Ų142137.8 Ų137.896%0.95978%0.778SS**  -155.8114129.6-114.50000108.2
1051S24.2Very low27Very low111 Ų111137 Ų13778%0.77677%0.774SS**  trans-123.2108.1-175.854.60000110.5
1052E29.1Very low27.2Very low176 Ų176135.5 Ų135.582%0.82277%0.772SS**  trans-156.7117.4163.2-100.3154.6-154.800104
1053T24.9Very low27.3Very low123 Ų123136.5 Ų136.576%0.75577%0.773SS**  53.2127.57565.60000111.8
1054E29.2Very low27.4Very low159 Ų159135.9 Ų135.974%0.74377%0.774SS**  cis-147.6153.238.9-75.6-173.1135.700115.5
1055F26.6Very low27.4Very low162 Ų162135.7 Ų135.771%0.71177%0.774SS**  trans63.2114.6134.2-74.9-129.6000119.3
1056L28.4Very low27.6Very low129 Ų129138.3 Ų138.368%0.67578%0.78SS**  81.6137.876.1-78.3168.7000113.4
1057D27.7Very low27.6Very low109 Ų109136.8 Ų136.858%0.58377%0.769SS**  cis-151177.5-7.2-157.88.2000112.3
1058R26.7Very low27.8Very low202 Ų202138.1 Ų138.176%0.76277%0.77SS**  trans-28.2151.2157.5-64.6154-178145.9-6.1114
1059S27.3Very low27.5Very low116 Ų116140.3 Ų140.381%0.81178%0.777SS**  -159.7147.957.1-60.70000114.7
1060C23.7Very low27.6Very low109 Ų109139.5 Ų139.574%0.73678%0.781SS**  trans-95.1-178.2167.2-570000111.3
1061N27.3Very low27.5Very low148 Ų148142.5 Ų142.579%0.79178%0.778SS**  trans85.6147.9159.3-53.8-21.7000118.3
1062L26.7Very low27.9Very low157 Ų157142.6 Ų142.682%0.82278%0.779SS**  cis-167.9107.3-32.8-159.488.3000109.8
1063V27.9Very low27.9Very low158 Ų158143.3 Ų143.396%0.95878%0.782SS**  trans-151.7138168.4-1710000108.5
1064G28.2Very low27.8Very low66 Ų66141.5 Ų141.568%0.6879%0.788SS**  cis-169.8161.5-5.100000111.6
1065N28.3Very low27.8Very low158 Ų158138.5 Ų138.585%0.84578%0.781SS**  trans-94.8155.3-168.6-64.8-23.5000114.3
1066N30.4Very low27.7Very low166 Ų166138.2 Ų138.289%0.88879%0.786SS**  trans-170.2138.2144.8-91.9-36.2000108.3
1067S29.4Very low27.6Very low92 Ų92141.6 Ų141.664%0.64379%0.791SS**  cis-160.9171.3-6.756.30000110.5
1068H31Very low27.7Very low182 Ų182141.2 Ų141.284%0.84379%0.793SS**  trans7373.5174.6-69.5-71.9000119.2
1069D28.1Very low28.1Very low136 Ų136137.9 Ų137.973%0.72780%0.795SS**  trans-66.7152.3152-73.2-66.6000112.9F1071D1069-F1071 HydrophobicContact CB-CD2 4.49Å
1070C29Very low28.6Very low128 Ų128136.8 Ų136.887%0.86578%0.779SS**  trans-126.6109.5148.5-87.10000107.6S1072C1070-S1072 PolarHBondContact O-N 2.83Å
1071F24.2Very low29.5Very low205 Ų205135 Ų13590%0.89976%0.763SS**  trans-57.2128.5-173.9-83.5-101.8000112.4D1069D1069-F1071 HydrophobicContact CB-CD2 4.49Å
1072S31Very low30.6Very low113 Ų113136.1 Ų136.179%0.7977%0.765SS**  trans-134142.3152.455.90000108.2C1070C1070-S1072 PolarHBondContact O-N 2.83Å
1073Q29.5Very low31.6Very low191 Ų191138.5 Ų138.589%0.89376%0.763SS**  trans-69.6138.2-166.2-70.3163.6-40.300111.5V1075Q1073-V1075 PolarHBondContact O-N 2.96Å
1074G24Very low32.9Very low86 Ų86135.8 Ų135.889%0.88774%0.74SS**  trans-66.1114.1-171.500000113.4
1075V27.9Very low34.4Very low96 Ų96136 Ų13658%0.58273%0.728SS**  trans-99.6111.7165.3-178.90000108Q1073 Y1077Q1073-V1075 PolarHBondContact O-N 2.96Å; V1075-Y1077 HydrophobicContact CB-CD2 4.49Å; V1075-Y1077 HydrophobicContact CB-CE2 4.01Å; V1075-Y1077 HydrophobicContact CG1-CD1 4.27Å; V1075-Y1077 HydrophobicContact CG1-CD2 4.44Å; V1075-Y1077 HydrophobicContact CG1-CE1 3.99Å; V1075-Y1077 HydrophobicContact CG1-CE2 4.18Å; V1075-Y1077 HydrophobicContact CG1-CG 4.48Å; V1075-Y1077 WeakPolarHBondContact O-CD2 3.36Å; V1075-Y1077 PolarHBondContact O-N 3.44Å
1076N25.5Very low36.1Very low156 Ų156134.1 Ų134.183%0.83471%0.712SS**  trans-77.790.5178.6-123.4-22.4000109.4V1078N1076-V1078 PolarHBondContact O-N 2.96Å
1077Y27Very low37.3Very low199 Ų199128.7 Ų128.778%0.7869%0.691SS**  trans-67.7100.6-178-68.8-79.7000111.8V1075 T1079V1075-Y1077 HydrophobicContact CB-CD2 4.49Å; V1075-Y1077 HydrophobicContact CB-CE2 4.01Å; V1075-Y1077 HydrophobicContact CG1-CD1 4.27Å; V1075-Y1077 HydrophobicContact CG1-CD2 4.44Å; V1075-Y1077 HydrophobicContact CG1-CE1 3.99Å; V1075-Y1077 HydrophobicContact CG1-CE2 4.18Å; V1075-Y1077 HydrophobicContact CG1-CG 4.48Å; V1075-Y1077 WeakPolarHBondContact O-CD2 3.36Å; V1075-Y1077 PolarHBondContact O-N 3.44Å; Y1077-T1079 PolarHBondContact O-N 2.95Å
1078V29.3Very low39Very low102 Ų102128.8 Ų128.862%0.61868%0.684SS**  trans-74.5113.3165.1-179.80000108.3N1076 I1080N1076-V1078 PolarHBondContact O-N 2.96Å; V1078-I1080 PolarHBondContact O-N 2.95Å
1079T34.1Very low40.8Very low131 Ų131123 Ų12380%0.80466%0.663SS**  trans-71.9114.4171.337.50000110.1Y1077Y1077-T1079 PolarHBondContact O-N 2.95Å
1080I39.2Very low42.6Very low94 Ų94121 Ų12148%0.48265%0.65SS.*  trans-85.8124.1176.6-55.8-179.3000108.2V1078 Q1084 T1085 L1088V1078-I1080 PolarHBondContact O-N 2.95Å; I1080-Q1084 HydrophobicContact CG2-CB 3.53Å; I1080-T1085 WeakPolarHBondContact CG2-OG1 3.46Å; I1080-L1088 HydrophobicContact CD1-CD1 4.21Å; I1080-L1088 HydrophobicContact CG2-CD1 4.25Å
1081D42.6Very low44.1Very low72 Ų72118.9 Ų118.939%0.38563%0.629SS.*  trans-79172.1178.2107.1-57.4000112.2R1083 Q1084 T1085D1081-R1083 VanDerWaalsContact C-N 3.26Å; D1081-R1083 VanDerWaalsContact CG-N 3.31Å; D1081-R1083 PolarHBondContact O-N 3.29Å; D1081-R1083 WeakPolarHBondContact OD1-CA 3.49Å; D1081-R1083 WeakPolarHBondContact OD1-CB 3.49Å; D1081-R1083 PolarHBondContact OD1-N 3.44Å; D1081-R1083 WeakPolarHBondContact OD2-CG 3.38Å; D1081-R1083 PolarHBondContact OD2-N 2.88Å; D1081-Q1084 PolarHBondContact O-N 3.2Å; D1081-Q1084 WeakPolarHBondContact OD1-CB 3.46Å; D1081-Q1084 VanDerWaalsContact OD1-CG 3.31Å; D1081-Q1084 WeakPolarHBondContact OD1-CG 3.27Å; D1081-Q1084 PolarHBondContact OD1-N 3.13Å; D1081-T1085 WeakPolarHBondContact O-CB 3.4Å; D1081-T1085 PolarHBondContact O-N 3.33Å; D1081-T1085 PolarHBondContact O-OG1 3.21Å
1082M49Very low45.9Very low170 Ų170113.7 Ų113.784%0.83761%0.608SS**Hα-helixtrans-61.9-32.1178.8-112.9-167.4-56.400113K1086M1082-K1086 WeakPolarHBondContact O-CB 3.34Å; M1082-K1086 PolarHBondContact O-N 2.73Å
1083R48.1Very low47.3Very low208 Ų208113.7 Ų113.779%0.78560%0.595SS**Hα-helixtrans-72.9-44.8178.7-59.1175.6170.8-154.6-3.9111.1D1081 K1086 A1087D1081-R1083 VanDerWaalsContact C-N 3.26Å; D1081-R1083 VanDerWaalsContact CG-N 3.31Å; D1081-R1083 PolarHBondContact O-N 3.29Å; D1081-R1083 WeakPolarHBondContact OD1-CA 3.49Å; D1081-R1083 WeakPolarHBondContact OD1-CB 3.49Å; D1081-R1083 PolarHBondContact OD1-N 3.44Å; D1081-R1083 WeakPolarHBondContact OD2-CG 3.38Å; D1081-R1083 PolarHBondContact OD2-N 2.88Å; R1083-K1086 PolarHBondContact O-N 3.39Å; R1083-A1087 WeakPolarHBondContact O-CB 3.26Å; R1083-A1087 PolarHBondContact O-N 3.15Å
1084Q55.4Low48.5Very low101 Ų101110.6 Ų110.647%0.47258%0.581SS.*Hα-helixtrans-63.3-41.2174.6-69.8170.3-17.200111.5I1080 D1081 A1087 L1088I1080-Q1084 HydrophobicContact CG2-CB 3.53Å; D1081-Q1084 PolarHBondContact O-N 3.2Å; D1081-Q1084 WeakPolarHBondContact OD1-CB 3.46Å; D1081-Q1084 VanDerWaalsContact OD1-CG 3.31Å; D1081-Q1084 WeakPolarHBondContact OD1-CG 3.27Å; D1081-Q1084 PolarHBondContact OD1-N 3.13Å; Q1084-A1087 PolarHBondContact O-N 2.95Å; Q1084-L1088 WeakPolarHBondContact O-CB 3.34Å; Q1084-L1088 VanDerWaalsContact O-CG 3.27Å; Q1084-L1088 WeakPolarHBondContact O-CG 3.46Å; Q1084-L1088 PolarHBondContact O-N 2.9Å
1085T59.6Low49.8Very low69 Ų69111 Ų11142%0.42356%0.562SS.*Hα-helixtrans-60.7-46.8174.7-55.10000110.8I1080 D1081 L1088 S1089I1080-T1085 WeakPolarHBondContact CG2-OG1 3.46Å; D1081-T1085 WeakPolarHBondContact O-CB 3.4Å; D1081-T1085 PolarHBondContact O-N 3.33Å; D1081-T1085 PolarHBondContact O-OG1 3.21Å; T1085-L1088 PolarHBondContact O-N 2.98Å; T1085-S1089 PolarHBondContact O-N 2.93Å; T1085-S1089 PolarHBondContact O-OG 3.29Å
1086K63.7Low51.2Low119 Ų119114.6 Ų114.652%0.51757%0.565SS.*Hα-helixtrans-62-46.6176.7-174.8176.5175-71.70111.9M1082 R1083 L1088 S1089 E1090M1082-K1086 WeakPolarHBondContact O-CB 3.34Å; M1082-K1086 PolarHBondContact O-N 2.73Å; R1083-K1086 PolarHBondContact O-N 3.39Å; K1086-L1088 VanDerWaalsContact C-N 3.3Å; K1086-L1088 PolarHBondContact O-N 3.48Å; K1086-S1089 PolarHBondContact O-N 2.84Å; K1086-E1090 IonicContact NZ-OE1 3.83Å; K1086-E1090 PolarHBondContact NZ-OE1 3.25Å; K1086-E1090 IonicContact NZ-OE2 3.64Å; K1086-E1090 PolarHBondContact NZ-OE2 3.27Å; K1086-E1090 WeakPolarHBondContact O-CG 3.44Å; K1086-E1090 PolarHBondContact O-N 2.82Å
1087A55.8Low52.7Low53 Ų53113.9 Ų113.944%0.43856%0.56SS.*Hα-helixtrans-63-34.3177.600000112.9R1083 Q1084 L1091R1083-A1087 WeakPolarHBondContact O-CB 3.26Å; R1083-A1087 PolarHBondContact O-N 3.15Å; Q1084-A1087 PolarHBondContact O-N 2.95Å; A1087-L1091 VanDerWaalsContact O-CB 3.26Å; A1087-L1091 WeakPolarHBondContact O-CB 3.35Å; A1087-L1091 PolarHBondContact O-N 3.4Å
1088L65.6Low53.7Low94 Ų94108.8 Ų108.849%0.49255%0.554SS.*Hα-helixtrans-69.5-39.6173.5-75168.5000112.1I1080 Q1084 T1085 K1086 E1092I1080-L1088 HydrophobicContact CD1-CD1 4.21Å; I1080-L1088 HydrophobicContact CG2-CD1 4.25Å; Q1084-L1088 WeakPolarHBondContact O-CB 3.34Å; Q1084-L1088 VanDerWaalsContact O-CG 3.27Å; Q1084-L1088 WeakPolarHBondContact O-CG 3.46Å; Q1084-L1088 PolarHBondContact O-N 2.9Å; T1085-L1088 PolarHBondContact O-N 2.98Å; K1086-L1088 VanDerWaalsContact C-N 3.3Å; K1086-L1088 PolarHBondContact O-N 3.48Å; L1088-E1092 VanDerWaalsContact O-CB 3.32Å; L1088-E1092 WeakPolarHBondContact O-CB 3.12Å; L1088-E1092 PolarHBondContact O-N 2.84Å
1089S68Low54.4Low60 Ų60108.5 Ų108.542%0.4255%0.552SS.*Hα-helixtrans-68.2-36.7173.7-63.80000112.9T1085 K1086 E1092 Q1093T1085-S1089 PolarHBondContact O-N 2.93Å; T1085-S1089 PolarHBondContact O-OG 3.29Å; K1086-S1089 PolarHBondContact O-N 2.84Å; S1089-E1092 PolarHBondContact O-N 2.95Å; S1089-Q1093 WeakPolarHBondContact O-CG 3.38Å; S1089-Q1093 PolarHBondContact O-N 3.41Å
1090E65.7Low54.3Low94 Ų94105 Ų10544%0.43954%0.543SS..Hα-helixtrans-66.1-44.9174.6-72.4175.3140.300110.8K1086 E1092 Q1093 E1094K1086-E1090 IonicContact NZ-OE1 3.83Å; K1086-E1090 PolarHBondContact NZ-OE1 3.25Å; K1086-E1090 IonicContact NZ-OE2 3.64Å; K1086-E1090 PolarHBondContact NZ-OE2 3.27Å; K1086-E1090 WeakPolarHBondContact O-CG 3.44Å; K1086-E1090 PolarHBondContact O-N 2.82Å; E1090-E1092 VanDerWaalsContact C-N 3.35Å; E1090-E1092 PolarHBondContact O-N 2.79Å; E1090-Q1093 PolarHBondContact O-N 3.13Å; E1090-E1094 WeakPolarHBondContact O-CB 3.5Å; E1090-E1094 PolarHBondContact O-N 2.8Å
1091L61.1Low53.9Low83 Ų83106.7 Ų106.744%0.43555%0.552SS.*Hα-helixtrans-64.1-35.9173.1-176.465.6000112.6A1087 E1094 L1095A1087-L1091 VanDerWaalsContact O-CB 3.26Å; A1087-L1091 WeakPolarHBondContact O-CB 3.35Å; A1087-L1091 PolarHBondContact O-N 3.4Å; L1091-E1094 PolarHBondContact O-N 2.96Å; L1091-L1095 HydrophobicContact CD1-CD1 4.38Å; L1091-L1095 HydrophobicContact CD1-CG 4.38Å; L1091-L1095 HydrophobicContact CG-CD1 4.02Å; L1091-L1095 HydrophobicContact CG-CG 4.44Å; L1091-L1095 VanDerWaalsContact O-CB 3.3Å; L1091-L1095 WeakPolarHBondContact O-CB 3.38Å; L1091-L1095 VanDerWaalsContact O-CG 3.23Å; L1091-L1095 WeakPolarHBondContact O-CG 3.46Å; L1091-L1095 PolarHBondContact O-N 3.24Å
1092E61.8Low53.5Low96 Ų96109.1 Ų109.145%0.44957%0.569SS.*Hα-helixtrans-68.7-39.5175.9-166.4-173168.400111.6L1088 S1089 E1090 R1096L1088-E1092 VanDerWaalsContact O-CB 3.32Å; L1088-E1092 WeakPolarHBondContact O-CB 3.12Å; L1088-E1092 PolarHBondContact O-N 2.84Å; S1089-E1092 PolarHBondContact O-N 2.95Å; E1090-E1092 VanDerWaalsContact C-N 3.35Å; E1090-E1092 PolarHBondContact O-N 2.79Å; E1092-R1096 WeakPolarHBondContact O-CB 3.42Å; E1092-R1096 VanDerWaalsContact O-CG 3.22Å; E1092-R1096 WeakPolarHBondContact O-CG 3.29Å; E1092-R1096 PolarHBondContact O-N 2.9Å; E1092-R1096 IonicContact OE1-CZ 2.81Å; E1092-R1096 VanDerWaalsContact OE1-CZ 3.32Å; E1092-R1096 IonicContact OE1-NE 2.59Å; E1092-R1096 PolarHBondContact OE1-NE 3.01Å; E1092-R1096 IonicContact OE1-NH2 3.19Å; E1092-R1096 PolarHBondContact OE1-NH2 3.18Å
1093Q59.4Low52.7Low114 Ų114111.2 Ų111.253%0.53357%0.568SS.*Hα-helixtrans-63.4-46.5171.7-76-175.9-43.700111.3S1089 E1090 L1095 R1096 I1097S1089-Q1093 WeakPolarHBondContact O-CG 3.38Å; S1089-Q1093 PolarHBondContact O-N 3.41Å; E1090-Q1093 PolarHBondContact O-N 3.13Å; Q1093-L1095 PolarHBondContact O-N 3.15Å; Q1093-R1096 PolarHBondContact O-N 3.11Å; Q1093-I1097 WeakPolarHBondContact O-CB 3.25Å; Q1093-I1097 WeakPolarHBondContact O-CD1 3.47Å; Q1093-I1097 VanDerWaalsContact O-CG1 3.25Å; Q1093-I1097 WeakPolarHBondContact O-CG1 3.47Å; Q1093-I1097 PolarHBondContact O-N 3.12Å
1094E56.5Low51.7Low125 Ų125108.6 Ų108.658%0.58457%0.569SS**Hα-helixtrans-59.3-45.7177.5-167.5167.6-132.100111.3E1090 L1091 I1097 S1098E1090-E1094 WeakPolarHBondContact O-CB 3.5Å; E1090-E1094 PolarHBondContact O-N 2.8Å; L1091-E1094 PolarHBondContact O-N 2.96Å; E1094-I1097 PolarHBondContact O-N 2.91Å; E1094-S1098 WeakPolarHBondContact O-CB 2.99Å; E1094-S1098 PolarHBondContact O-N 3.19Å; E1094-S1098 PolarHBondContact O-OG 2.98Å
1095L51.2Low50.5Low96 Ų96108.8 Ų108.850%0.50359%0.588SS.*Hα-helixtrans-65.1-39.2175.1-74.2169.9000113.4L1091 Q1093 I1097 S1098 T1099L1091-L1095 HydrophobicContact CD1-CD1 4.38Å; L1091-L1095 HydrophobicContact CD1-CG 4.38Å; L1091-L1095 HydrophobicContact CG-CD1 4.02Å; L1091-L1095 HydrophobicContact CG-CG 4.44Å; L1091-L1095 VanDerWaalsContact O-CB 3.3Å; L1091-L1095 WeakPolarHBondContact O-CB 3.38Å; L1091-L1095 VanDerWaalsContact O-CG 3.23Å; L1091-L1095 WeakPolarHBondContact O-CG 3.46Å; L1091-L1095 PolarHBondContact O-N 3.24Å; Q1093-L1095 PolarHBondContact O-N 3.15Å; L1095-I1097 VanDerWaalsContact C-N 3.34Å; L1095-S1098 PolarHBondContact O-N 3.07Å; L1095-T1099 WeakPolarHBondContact O-CB 3.36Å; L1095-T1099 VanDerWaalsContact O-CG2 3.3Å; L1095-T1099 WeakPolarHBondContact O-CG2 2.98Å; L1095-T1099 PolarHBondContact O-N 2.66Å; L1095-T1099 PolarHBondContact O-OG1 3.28Å
1096R56.1Low48.9Very low171 Ų171109 Ų10965%0.64560%0.604SS**Hα-helixtrans-64.4-39.5174.8-75.1173.9-174.7-158.77.6111.5E1092 Q1093E1092-R1096 WeakPolarHBondContact O-CB 3.42Å; E1092-R1096 VanDerWaalsContact O-CG 3.22Å; E1092-R1096 WeakPolarHBondContact O-CG 3.29Å; E1092-R1096 PolarHBondContact O-N 2.9Å; E1092-R1096 IonicContact OE1-CZ 2.81Å; E1092-R1096 VanDerWaalsContact OE1-CZ 3.32Å; E1092-R1096 IonicContact OE1-NE 2.59Å; E1092-R1096 PolarHBondContact OE1-NE 3.01Å; E1092-R1096 IonicContact OE1-NH2 3.19Å; E1092-R1096 PolarHBondContact OE1-NH2 3.18Å; Q1093-R1096 PolarHBondContact O-N 3.11Å
1097I56.4Low47.2Very low140 Ų140114.1 Ų114.172%0.71862%0.621SS**Hα-helixtrans-67.1-45.2175-67.4163.4000110.2Q1093 E1094 L1095 T1099Q1093-I1097 WeakPolarHBondContact O-CB 3.25Å; Q1093-I1097 WeakPolarHBondContact O-CD1 3.47Å; Q1093-I1097 VanDerWaalsContact O-CG1 3.25Å; Q1093-I1097 WeakPolarHBondContact O-CG1 3.47Å; Q1093-I1097 PolarHBondContact O-N 3.12Å; E1094-I1097 PolarHBondContact O-N 2.91Å; L1095-I1097 VanDerWaalsContact C-N 3.34Å; I1097-T1099 PolarHBondContact O-N 2.8Å
1098S49.2Very low45.9Very low93 Ų93120.9 Ų120.965%0.6564%0.644SS**Hα-helixtrans-72.4-20.3-178.4-60.60000115.1E1094 L1095E1094-S1098 WeakPolarHBondContact O-CB 2.99Å; E1094-S1098 PolarHBondContact O-N 3.19Å; E1094-S1098 PolarHBondContact O-OG 2.98Å; L1095-S1098 PolarHBondContact O-N 3.07Å
1099T43.1Very low44Very low95 Ų95122.8 Ų122.858%0.58365%0.653SS**Hα-helixtrans-94-10.4-177.549.50000114.7L1095 I1097 L1101L1095-T1099 WeakPolarHBondContact O-CB 3.36Å; L1095-T1099 VanDerWaalsContact O-CG2 3.3Å; L1095-T1099 WeakPolarHBondContact O-CG2 2.98Å; L1095-T1099 PolarHBondContact O-N 2.66Å; L1095-T1099 PolarHBondContact O-OG1 3.28Å; I1097-T1099 PolarHBondContact O-N 2.8Å; T1099-L1101 PolarHBondContact O-N 3.3Å
1100G32Very low42.2Very low59 Ų59125.9 Ų125.961%0.60867%0.672SS**  trans62.1-0163.700000118.1V1102G1100-V1102 PolarHBondContact O-N 2.59Å
1101L32.5Very low40.2Very low129 Ų129132.1 Ų132.168%0.67569%0.691SS**  trans-87.967-162.8-143.986.7000114T1099 R1103T1099-L1101 PolarHBondContact O-N 3.3Å; L1101-R1103 HydrophobicContact CD2-CG 4.48Å; L1101-R1103 PolarHBondContact O-N 3.31Å
1102V33Very low38.7Very low122 Ų122133.3 Ų133.374%0.73971%0.706SS**  trans-66.7100173.4-178.20000110.4G1100G1100-V1102 PolarHBondContact O-N 2.59Å
1103R32.3Very low37.2Very low215 Ų215137.9 Ų137.981%0.81173%0.728SS**  trans-97.3103.3171.8-75.2-168.5175.2-164.2-0.8111.4L1101 A1105L1101-R1103 HydrophobicContact CD2-CG 4.48Å; L1101-R1103 PolarHBondContact O-N 3.31Å; R1103-A1105 PolarHBondContact O-N 3.02Å
1104N26.7Very low35.5Very low153 Ų153137 Ų13782%0.81873%0.733SS**  trans-76.1114.7172.5-73.6-36.8000111.9
1105A30.2Very low34.3Very low105 Ų105138.5 Ų138.587%0.86874%0.743SS**  trans-168.2129156.200000109.9R1103R1103-A1105 PolarHBondContact O-N 3.02Å
1106G27.5Very low33.4Very low73 Ų73140.9 Ų140.975%0.75376%0.756SS**  cis-172.6132.8-10.800000110.1
1107Y26.6Very low32.2Very low226 Ų226140.2 Ų140.289%0.88676%0.76SS**  trans-95.7123.2178.6-92.2-92.3000111
1108H28.3Very low30.9Very low196 Ų196139.1 Ų139.191%0.90776%0.755SS**  trans-85.3119162.7-93.6-85.7000110
1109I27.2Very low30.1Very low134 Ų134142.4 Ų142.469%0.68776%0.76SS**  trans-122.2121.9169.8-60.8177000107.5
1110P29.2Very low29.5Very low125 Ų125145 Ų14581%0.81277%0.771SS**  trans-63.3139170.7-20.833.6000111.2
1111R24Very low29.2Very low225 Ų225147.7 Ų147.785%0.84978%0.779SS**  trans-123.6112.8-164-173.3-178.7-173.1168.31.6111.8
1112S30.6Very low29.1Very low108 Ų108148.4 Ų148.476%0.75578%0.783SS**  trans-167.3120.8176.5520000108.6
1113E29.3Very low28.9Very low192 Ų192149.3 Ų149.390%0.89778%0.784SS**  cis-137.3167.4-5.9-72.4174.4112.500109.5
1114C23.8Very low28.7Very low95 Ų95146 Ų14664%0.64279%0.787SS**  trans-99.9160.4170.8-58.60000110
1115I31.7Very low28.7Very low156 Ų156146.7 Ų146.780%0.878%0.783SS**  trans178.9126.6137.2-96.7155.3000111
1116L31.9Very low28.6Very low146 Ų146147.5 Ų147.576%0.76478%0.778SS**  trans45.1143.1145.3-60.6179.8000121.6
1117H31.5Very low28.7Very low158 Ų158147.9 Ų147.973%0.73178%0.781SS**  cis-160.4-176.6-11.7-153.618.6000110.9
1118N28.2Very low28.7Very low117 Ų117145 Ų14563%0.62678%0.781SS**  trans-44.3158.8168.8-62.1-32.8000113.4
1119Q33Very low28.7Very low162 Ų162144.6 Ų144.676%0.75778%0.777SS**  cis-173.6160.648.5-145.6154.74100113.3
1120N30.6Very low28.6Very low149 Ų149147.9 Ų147.980%0.79779%0.786SS**  trans62.5135.6157.9-69.6-2.9000123.5
1121C25.3Very low28.5Very low115 Ų115148.4 Ų148.478%0.77779%0.788SS**  trans-53.4156.6163.7-45.50000111.9
1122D31.1Very low28.6Very low145 Ų145142.9 Ų142.978%0.77578%0.779SS**  -165173.971.4-124.2-41.8000116.9
1123N27.4Very low28.5Very low140 Ų140145.4 Ų145.475%0.74978%0.783SS**  trans-33.6139.7179.4-71.7-85.8000119.7
1124V29.2Very low28.2Very low146 Ų146148.2 Ų148.289%0.88579%0.785SS**  175.6157.1114.1151.90000112
1125K27Very low28.4Very low168 Ų168154.1 Ų154.173%0.7379%0.794SS**  trans-97.5164.8-170.9-64.4172.21791670115.3
1126T28.1Very low28.1Very low122 Ų122153.3 Ų153.375%0.74879%0.786SS**  trans94.2138.6153.974.60000118.6
1127G27.7Very low27.8Very low80 Ų80156.3 Ų156.383%0.82579%0.794SS**  trans15844.6177.200000117.5K1129G1127-K1129 PolarHBondContact O-N 2.93Å
1128N27.8Very low27.4Very low167 Ų167153.5 Ų153.589%0.89379%0.788SS**  trans-64.9130.1177.5-98.9-31.5000112.9
1129K27.6Very low27.2Very low187 Ų187154 Ų15481%0.81379%0.789SS**  trans-176.7103.9144.3-103.1158.4-173.9176.60112.7G1127G1127-K1129 PolarHBondContact O-N 2.93Å
1130F26Very low26.7Very low202 Ų202149.6 Ų149.689%0.88678%0.776SS**  trans-158.774.9135.2-115.9-68.1000111.5V1132F1130-V1132 PolarHBondContact O-N 3.31Å
1131T26.6Very low26.4Very low137 Ų137148.5 Ų148.584%0.8478%0.779SS**  trans-80.9101.1176.244.90000111.6
1132V27.1Very low26.5Very low109 Ų109149.5 Ų149.566%0.66178%0.777SS**  trans-136142.5167.5172.80000109.7F1130F1130-V1132 PolarHBondContact O-N 3.31Å
1133L26.7Very low26.3Very low160 Ų160149.8 Ų149.884%0.83878%0.777SS**  trans62.542171.3-70.4168.7000119.2
1134R23.7Very low26.5Very low252 Ų252148.8 Ų148.895%0.95178%0.778SS**  trans-90.499.9140.3-93.5-172.2174178.5-0.3109.6
1135R27.9Very low26.4Very low218 Ų218146 Ų14682%0.82377%0.771SS**  trans-137110.2166.3-86.4-170.2170.5162.1-1.4112
1136H26.2Very low26.3Very low139 Ų139147.9 Ų147.964%0.64478%0.775SS**  trans30.4117.1151.9-50.9-83.2000120.5
1137F24.5Very low26.3Very low209 Ų209152.1 Ų152.192%0.91778%0.783SS**  -131.857.2126.3-93.7-68.6000111.5I1139F1137-I1139 PolarHBondContact O-N 2.95Å
1138T23.8Very low26.2Very low99 Ų99152.4 Ų152.461%0.60778%0.778SS**  trans-66.9103157.642.30000108.9S1140T1138-S1140 PolarHBondContact O-N 2.88Å
1139I23.7Very low26.2Very low129 Ų129156.2 Ų156.266%0.66278%0.78SS**  trans-77.972.6163.9-54.2-176.2000108F1137F1137-I1139 PolarHBondContact O-N 2.95Å
1140S23.9Very low26.2Very low69 Ų69157.3 Ų157.348%0.48379%0.785SS.*  trans-68.2131.7164.3-52.90000108.3T1138 N1142T1138-S1140 PolarHBondContact O-N 2.88Å; S1140-N1142 PolarHBondContact O-N 3.25Å
1141C23.2Very low26.3Very low126 Ų126157.2 Ų157.285%0.85178%0.784SS**  trans-74.557.9174.4-67.60000112
1142N26.7Very low26.6Very low136 Ų136158.2 Ų158.273%0.72778%0.784SS**  trans-108126.7178.5-73.7-15.4000110.4S1140S1140-N1142 PolarHBondContact O-N 3.25Å
1143L28.8Very low26.6Very low150 Ų150156.6 Ų156.679%0.78579%0.789SS**  trans-65.3142.6174.9-79.265.2000110.6A1145L1143-A1145 PolarHBondContact O-N 3.26Å
1144P30.5Very low26.6Very low119 Ų119154.4 Ų154.477%0.77379%0.787SS**  trans-73.278.9161.931.3-32.5000109.6Y1146P1144-Y1146 VanDerWaalsContact C-N 3.27Å; P1144-Y1146 PolarHBondContact O-N 3.44Å
1145A26.8Very low26.8Very low88 Ų88147.6 Ų147.673%0.72778%0.777SS**  trans-75.173.6178.600000111.8L1143L1143-A1145 PolarHBondContact O-N 3.26Å
1146Y25.9Very low26.8Very low208 Ų208144.1 Ų144.182%0.81677%0.773SS**  trans-76.3155.4163-88.6-98.6000110.8P1144P1144-Y1146 VanDerWaalsContact C-N 3.27Å; P1144-Y1146 PolarHBondContact O-N 3.44Å
1147F27.6Very low26.8Very low210 Ų210144.3 Ų144.392%0.92178%0.779SS**  trans72.766.7-171.6-58.4-76.5000116.5
1148A26.2Very low27Very low87 Ų87143.4 Ų143.472%0.71977%0.774SS**  trans-146.576.7161.100000113.1
1149R26.5Very low27.2Very low247 Ų247145.5 Ų145.593%0.93278%0.781SS**  trans178.8105.5145.9-106.4175.3-73-171.7-0114.4
1150K29.1Very low27.3Very low210 Ų210143.4 Ų143.491%0.91378%0.778SS**  -157.5135.7122.7-104.9-175.5178-174.20106.7
1151K26.9Very low27.4Very low200 Ų200147.4 Ų147.487%0.8779%0.794SS**  trans-146.868.6-168.8-168.8-155.8172.8-173.70110.8
1152D32.6Very low27.7Very low158 Ų158150.5 Ų150.585%0.84579%0.793SS**  trans-146.4135.5174.3-51-82.9000106.4
1153G28.3Very low27.8Very low74 Ų74152.8 Ų152.876%0.76380%0.797SS**  cis173.4144.3-1100000111.9
1154S26.7Very low27.8Very low114 Ų114151.1 Ų151.180%0.79779%0.793SS**  trans70.6173.3169.2-151.30000119.3
1155C27.3Very low27.8Very low109 Ų109156.2 Ų156.274%0.73680%0.797SS**  trans65.189.1173-61.50000116.7
1156I27.8Very low28Very low145 Ų145158.8 Ų158.874%0.74479%0.792SS**  91.6119.363.2-68.5163.9000113.8
1157N25.5Very low28.4Very low144 Ų144155.2 Ų155.277%0.7778%0.783SS**  trans4.1136155.8-52.7-21.4000120.3
1158K29Very low28.7Very low189 Ų189151.1 Ų151.182%0.82278%0.775SS**  -173.9141108.7-100.6166.6179.2177.90114.3
1159L27.5Very low29.3Very low144 Ų144156.4 Ų156.475%0.75478%0.781SS**  trans48.1121.8143.6-53.1164.5000118.8
1160S26.2Very low30.5Very low85 Ų85154 Ų15459%0.59480%0.802SS**  cis77.412240.685.80000116.2
1161N25.7Very low30.5Very low153 Ų153151.2 Ų151.282%0.81880%0.797SS**  trans64.2128.2168.9-57.5-23.5000116.2
1162K29.8Very low30.7Very low190 Ų190148.6 Ų148.683%0.82679%0.793SS**  -168147.672.7-86.7-177.3173.6178.40114.4
1163F29Very low30.6Very low184 Ų184148.1 Ų148.181%0.80779%0.79SS**  trans51.6109.1138.5-74.6-108.8000123.3
1164T29.1Very low30.8Very low115 Ų115152.4 Ų152.471%0.70679%0.792SS**  11.3154.7120.440.20000123.5
1165R29.9Very low31Very low226 Ų226154.8 Ų154.885%0.85379%0.791SS**  trans79.3146.6156-87.7-175.7178.3-171.61.5116.9
1166K30.6Very low31.3Very low143 Ų143157.9 Ų157.962%0.62280%0.795SS**  cis-164.5-179.9-8-150.4173.1154.5-1400110.4
1167E35.2Very low31.5Very low133 Ų133158.8 Ų158.862%0.62180%0.799SS**  trans69.9119.6159.1-77.8137.8-150.600116.9
1168T34.9Very low32Very low124 Ų124159.9 Ų159.976%0.76180%0.801SS**  64.6141.669.669.40000113.6
1169K38.8Very low32.2Very low197 Ų197157.5 Ų157.586%0.85780%0.799SS**  cis-165.6127.528.7-152.8176.3-174.5-177.40111.7
1170S50.1Low32.7Very low196 Ų196158.7 Ų158.7100%1.37180%0.803SS**  trans-170.10153.663.50000109.6

Retrieved 1,170 of 1,170 residues in 143.4 ms (Link to these results)

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