G4M0Q4_SCHMA Loading...

CCAAT-binding transcription factor, putative

AlphaFold DB , UniProt , Accession G4M0Q4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 542 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
1M39.2Very low58.1Low213 Ų213111 Ų111100%1.04960%0.596SS**  0100.70-68.9-52.2-166.300105.7Y3M1-Y3 PolarHBondContact O-N 3.23Å
2D42.2Very low59.9Low164 Ų164111.3 Ų111.388%0.87759%0.591SS**  trans-75.5103.4-173-55-82.2000109.4S4D2-S4 PolarHBondContact O-N 3.39Å
3Y46.3Very low61.8Low222 Ų222108.7 Ų108.787%0.87159%0.587SS**  trans-76.276.7166.9-80.7-88.6000108.6M1 S5M1-Y3 PolarHBondContact O-N 3.23Å; Y3-S5 PolarHBondContact O-N 3.5Å; Y3-S5 VanDerWaalsContact O-N 3.16Å
4S49.2Very low63.6Low94 Ų94107.4 Ų107.466%0.65758%0.575SS**  trans-78.681.2159.3-170.10000107.1D2 D6D2-S4 PolarHBondContact O-N 3.39Å; S4-D6 PolarHBondContact O-N 3.27Å; S4-D6 VanDerWaalsContact O-N 3.15Å
5S52.8Low65.1Low74 Ų74101.2 Ų101.252%0.51754%0.542SS..  trans-66110.1165.252.90000107.2Y3 P7 D10Y3-S5 PolarHBondContact O-N 3.5Å; Y3-S5 VanDerWaalsContact O-N 3.16Å; S5-P7 WeakPolarHBondContact O-CD 3.26Å; S5-D10 WeakPolarHBondContact CB-OD2 3.35Å; S5-D10 PolarHBondContact OG-OD2 3.4Å
6D60.1Low66.6Low98 Ų98101.2 Ų101.252%0.52454%0.541SS..  trans-64.4121.9176.7-76.7-45.5000107.8S4 L8 T9 D10S4-D6 PolarHBondContact O-N 3.27Å; S4-D6 VanDerWaalsContact O-N 3.15Å; D6-L8 PolarHBondContact O-N 3.19Å; D6-T9 WeakPolarHBondContact O-CB 3.26Å; D6-T9 PolarHBondContact O-N 3.4Å; D6-D10 PolarHBondContact O-N 3.33Å
7P63.2Low68Low68 Ų6899.5 Ų99.544%0.44254%0.539SS..Hα-helixtrans-63.9-14.9-171.924-34.5000113.3S5 C11S5-P7 WeakPolarHBondContact O-CD 3.26Å; P7-C11 WeakPolarHBondContact O-CB 3.41Å; P7-C11 PolarHBondContact O-N 3.29Å
8L63Low69.3Low114 Ų11495.5 Ų95.560%0.59752%0.516SS*.Hα-helixtrans-71.8-35.3171-60.9175.1000112.2D6 C11 Q12D6-L8 PolarHBondContact O-N 3.19Å; L8-C11 WeakPolarHBondContact O-CB 3.41Å; L8-Q12 PolarHBondContact O-N 3.31Å; L8-Q12 VanDerWaalsContact O-N 3.1Å
9T71.2Confident70.6Confident87 Ų8794.7 Ų94.753%0.53451%0.505SS..Hα-helixtrans-69.4-40.9173.9-51.50000110.8D6 C11 Q12 S13D6-T9 WeakPolarHBondContact O-CB 3.26Å; D6-T9 PolarHBondContact O-N 3.4Å; T9-C11 VanDerWaalsContact C-N 3.34Å; T9-C11 PolarHBondContact O-N 3.12Å; T9-Q12 PolarHBondContact O-N 3.35Å; T9-S13 WeakPolarHBondContact O-CB 3.39Å; T9-S13 PolarHBondContact O-N 3.34Å
10D75.9Confident71.7Confident68 Ų6894.6 Ų94.636%0.36450%0.504SS..Hα-helixtrans-65.4-37.9176.6-63.2-27.5000111.5S5 D6 Q14S5-D10 WeakPolarHBondContact CB-OD2 3.35Å; S5-D10 PolarHBondContact OG-OD2 3.4Å; D6-D10 PolarHBondContact O-N 3.33Å; D10-Q14 WeakPolarHBondContact O-CG 3.12Å; D10-Q14 PolarHBondContact O-N 2.99Å; D10-Q14 PolarHBondContact O-NE2 3.02Å
11C75.6Confident72.6Confident19 Ų1995.2 Ų95.213%0.12851%0.507CS..Hα-helixtrans-56-55.4169.9171.80000112P7 L8 T9 S13 Q14 M15 I86P7-C11 WeakPolarHBondContact O-CB 3.41Å; P7-C11 PolarHBondContact O-N 3.29Å; L8-C11 WeakPolarHBondContact O-CB 3.41Å; T9-C11 VanDerWaalsContact C-N 3.34Å; T9-C11 PolarHBondContact O-N 3.12Å; C11-S13 VanDerWaalsContact C-N 3.32Å; C11-S13 PolarHBondContact O-N 3.25Å; C11-Q14 PolarHBondContact O-N 2.98Å; C11-M15 PolarHBondContact O-N 2.96Å; C11-I86 HydrophobicContact CB-CD1 3.69Å; C11-I86 WeakPolarHBondContact SG-CD1 3.33Å
12Q79.8Confident75.1Confident115 Ų11585.3 Ų85.354%0.53746%0.458SS..Hα-helixtrans-64.5-37.2-176.8-173172.584.200111.9L8 T9 M15 L16L8-Q12 PolarHBondContact O-N 3.31Å; L8-Q12 VanDerWaalsContact O-N 3.1Å; T9-Q12 PolarHBondContact O-N 3.35Å; Q12-M15 PolarHBondContact O-N 2.68Å; Q12-L16 HydrophobicContact CG-CD1 4.37Å; Q12-L16 WeakPolarHBondContact O-CG 3.31Å; Q12-L16 PolarHBondContact O-N 3.09Å
13S85.5Confident77.4Confident77 Ų7785 Ų8554%0.53845%0.445SS..Hα-helixtrans-63.7-43.5175.2-170.10000112.4T9 C11 M15 L16 S17T9-S13 WeakPolarHBondContact O-CB 3.39Å; T9-S13 PolarHBondContact O-N 3.34Å; C11-S13 VanDerWaalsContact C-N 3.32Å; C11-S13 PolarHBondContact O-N 3.25Å; S13-M15 VanDerWaalsContact C-N 3.32Å; S13-M15 PolarHBondContact O-N 3.48Å; S13-L16 PolarHBondContact O-N 3.07Å; S13-S17 WeakPolarHBondContact O-CB 3.4Å; S13-S17 PolarHBondContact O-N 3.39Å
14Q85.8Confident79.5Confident90 Ų9079.3 Ų79.342%0.42143%0.433SS..Hα-helixtrans-62-40.2173.3-74175.368.400111.9D10 C11 S17 F18 L82D10-Q14 WeakPolarHBondContact O-CG 3.12Å; D10-Q14 PolarHBondContact O-N 2.99Å; D10-Q14 PolarHBondContact O-NE2 3.02Å; C11-Q14 PolarHBondContact O-N 2.98Å; Q14-S17 PolarHBondContact O-N 3.23Å; Q14-F18 WeakPolarHBondContact O-CB 3.3Å; Q14-F18 PolarHBondContact O-N 3.33Å; Q14-L82 HydrophobicContact CB-CD2 4.3Å
15M86.6Confident81.3Confident15 Ų1578.1 Ų78.17%0.07442%0.417CS..Hα-helixtrans-64.4-43.6177.8-169.552.555.700112.7C11 Q12 S13 F18 W19 E79 L82 R83C11-M15 PolarHBondContact O-N 2.96Å; Q12-M15 PolarHBondContact O-N 2.68Å; S13-M15 VanDerWaalsContact C-N 3.32Å; S13-M15 PolarHBondContact O-N 3.48Å; M15-F18 PolarHBondContact O-N 2.95Å; M15-F18 HydrophobicContact SD-CD1 4.16Å; M15-W19 VanDerWaalsContact O-CD1 3.28Å; M15-W19 PolarHBondContact O-N 3.48Å; M15-E79 HydrophobicContact CE-CG 4.01Å; M15-E79 HydrophobicContact SD-CG 3.77Å; M15-E79 VanDerWaalsContact SD-OE1 3.33Å; M15-L82 HydrophobicContact CE-CD2 3.6Å; M15-R83 HydrophobicContact CE-CG 3.4Å; M15-R83 VanDerWaalsContact CE-CG 3.4Å
16L88.5Confident82.9Confident101 Ų10178.1 Ų78.153%0.52941%0.41SS..Hα-helixtrans-63.8-47175.8-70170.2000111Q12 S13 F18 W19 D20Q12-L16 HydrophobicContact CG-CD1 4.37Å; Q12-L16 WeakPolarHBondContact O-CG 3.31Å; Q12-L16 PolarHBondContact O-N 3.09Å; S13-L16 PolarHBondContact O-N 3.07Å; L16-F18 VanDerWaalsContact C-N 3.31Å; L16-F18 PolarHBondContact O-N 3.13Å; L16-W19 PolarHBondContact O-N 3.47Å; L16-W19 VanDerWaalsContact O-N 3.14Å; L16-D20 PolarHBondContact O-N 3.35Å
17S91.1Very high84.1Confident72 Ų7280.2 Ų80.250%0.50342%0.422SS..Hα-helixtrans-61-38.2177.1-176.60000112.8S13 Q14 L21S13-S17 WeakPolarHBondContact O-CB 3.4Å; S13-S17 PolarHBondContact O-N 3.39Å; Q14-S17 PolarHBondContact O-N 3.23Å; S17-L21 WeakPolarHBondContact O-CB 3.28Å; S17-L21 PolarHBondContact O-N 3.38Å
18F91.8Very high85Confident28 Ų2879.6 Ų79.612%0.12343%0.428CS..Hα-helixtrans-60.7-50.4172.1167.2-101.4000111Q14 M15 L16 D20 L21 I22 R78 E79Q14-F18 WeakPolarHBondContact O-CB 3.3Å; Q14-F18 PolarHBondContact O-N 3.33Å; M15-F18 PolarHBondContact O-N 2.95Å; M15-F18 HydrophobicContact SD-CD1 4.16Å; L16-F18 VanDerWaalsContact C-N 3.31Å; L16-F18 PolarHBondContact O-N 3.13Å; F18-D20 PolarHBondContact O-N 3.4Å; F18-L21 PolarHBondContact O-N 2.97Å; F18-I22 HydrophobicContact CD1-CG1 4.46Å; F18-I22 HydrophobicContact CD2-CG1 4.09Å; F18-I22 HydrophobicContact CE1-CG1 4.06Å; F18-I22 HydrophobicContact CE2-CD1 3.96Å; F18-I22 HydrophobicContact CE2-CG1 3.66Å; F18-I22 HydrophobicContact CG-CG1 4.48Å; F18-I22 HydrophobicContact CZ-CD1 4.2Å; F18-I22 HydrophobicContact CZ-CG1 3.65Å; F18-I22 WeakPolarHBondContact O-CG1 3.36Å; F18-I22 PolarHBondContact O-N 3.28Å; F18-R78 HydrophobicContact CE2-CB 3.95Å; F18-R78 HydrophobicContact CZ-CB 3.8Å; F18-E79 HydrophobicContact CE1-CB 4.06Å
19W92.9Very high85.6Confident81 Ų8177.9 Ų77.931%0.30742%0.419SS..Hα-helixtrans-66.5-33.8-179.1-83.1114.7000113.6M15 L16 I22 R23 E79M15-W19 VanDerWaalsContact O-CD1 3.28Å; M15-W19 PolarHBondContact O-N 3.48Å; L16-W19 PolarHBondContact O-N 3.47Å; L16-W19 VanDerWaalsContact O-N 3.14Å; W19-I22 HydrophobicContact CE3-CB 4.32Å; W19-I22 HydrophobicContact CE3-CG2 4.08Å; W19-I22 HydrophobicContact CZ3-CG2 4.02Å; W19-I22 PolarHBondContact O-N 3.09Å; W19-R23 VanDerWaalsContact O-CG 3.27Å; W19-R23 WeakPolarHBondContact O-CG 3.45Å; W19-R23 PolarHBondContact O-N 3.13Å; W19-E79 WeakPolarHBondContact CZ2-OE2 3.41Å; W19-E79 PolarHBondContact NE1-OE1 2.66Å
20D92.7Very high85.3Confident92 Ų9278.9 Ų78.949%0.49242%0.416SS..Hα-helixtrans-66.7-42.1173-72.9-28.5000111.6L16 F18 R23 V24L16-D20 PolarHBondContact O-N 3.35Å; F18-D20 PolarHBondContact O-N 3.4Å; D20-R23 PolarHBondContact O-N 3.14Å; D20-V24 PolarHBondContact O-N 2.94Å; D20-V24 VanDerWaalsContact O-N 3.16Å
21L91.8Very high84.6Confident108 Ų10881.2 Ų81.257%0.56544%0.436SS*.Hα-helixtrans-61.6-45.2173.5-18064.9000111.7S17 F18 R23 V24 E25S17-L21 WeakPolarHBondContact O-CB 3.28Å; S17-L21 PolarHBondContact O-N 3.38Å; F18-L21 PolarHBondContact O-N 2.97Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 3.14Å; L21-V24 PolarHBondContact O-N 3.38Å; L21-E25 PolarHBondContact O-N 3.36Å
22I91.5Very high84Confident5 Ų584.9 Ų84.93%0.02645%0.454CS..Hα-helixtrans-63.7-34.5177.9-70-52.4000111.9F18 W19 E25 I26 L75F18-I22 HydrophobicContact CD1-CG1 4.46Å; F18-I22 HydrophobicContact CD2-CG1 4.09Å; F18-I22 HydrophobicContact CE1-CG1 4.06Å; F18-I22 HydrophobicContact CE2-CD1 3.96Å; F18-I22 HydrophobicContact CE2-CG1 3.66Å; F18-I22 HydrophobicContact CG-CG1 4.48Å; F18-I22 HydrophobicContact CZ-CD1 4.2Å; F18-I22 HydrophobicContact CZ-CG1 3.65Å; F18-I22 WeakPolarHBondContact O-CG1 3.36Å; F18-I22 PolarHBondContact O-N 3.28Å; W19-I22 HydrophobicContact CE3-CB 4.32Å; W19-I22 HydrophobicContact CE3-CG2 4.08Å; W19-I22 HydrophobicContact CZ3-CG2 4.02Å; W19-I22 PolarHBondContact O-N 3.09Å; I22-E25 WeakPolarHBondContact CD1-OE2 3.23Å; I22-E25 PolarHBondContact O-N 3.04Å; I22-I26 HydrophobicContact CG2-CD1 3.66Å; I22-I26 HydrophobicContact CG2-CG1 4.32Å; I22-I26 WeakPolarHBondContact O-CB 3.26Å; I22-I26 WeakPolarHBondContact O-CG1 3.4Å; I22-I26 PolarHBondContact O-N 3.5Å; I22-L75 HydrophobicContact CB-CD2 4.39Å; I22-L75 HydrophobicContact CD1-CD2 3.51Å; I22-L75 HydrophobicContact CG1-CD2 3.85Å; I22-L75 HydrophobicContact CG2-CD1 3.82Å; I22-L75 HydrophobicContact CG2-CD2 3.6Å; I22-L75 HydrophobicContact CG2-CG 4.35Å
23R90.5Very high83.1Confident156 Ų15686.7 Ų86.759%0.58946%0.463SS*.Hα-helixtrans-63.2-48.1173.3-75.1166.8-178.5-163.10.4111.5W19 D20 L21 E25 I26 D27W19-R23 VanDerWaalsContact O-CG 3.27Å; W19-R23 WeakPolarHBondContact O-CG 3.45Å; W19-R23 PolarHBondContact O-N 3.13Å; D20-R23 PolarHBondContact O-N 3.14Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 3.14Å; R23-E25 VanDerWaalsContact C-N 3.3Å; R23-E25 PolarHBondContact O-N 3.18Å; R23-I26 PolarHBondContact O-N 3.34Å; R23-D27 WeakPolarHBondContact O-CB 3.48Å; R23-D27 PolarHBondContact O-N 2.96Å
24V90.4Very high81.9Confident103 Ų10386.1 Ų86.162%0.62446%0.463SS*.Hα-helixtrans-62.1-38.9176.2176.70000111.4D20 L21 G28D20-V24 PolarHBondContact O-N 2.94Å; D20-V24 VanDerWaalsContact O-N 3.16Å; L21-V24 PolarHBondContact O-N 3.38Å; V24-G28 PolarHBondContact O-N 2.97Å
25E86.5Confident80.6Confident69 Ų6983.6 Ų83.632%0.32246%0.457SS..Hα-helixtrans-59.5-50.7173.3-167.7-163.9135.700111.1L21 I22 R23 G28 L29 K71 R78L21-E25 PolarHBondContact O-N 3.36Å; I22-E25 WeakPolarHBondContact CD1-OE2 3.23Å; I22-E25 PolarHBondContact O-N 3.04Å; R23-E25 VanDerWaalsContact C-N 3.3Å; R23-E25 PolarHBondContact O-N 3.18Å; E25-G28 CarbonylContact O-C 3.59Å; E25-G28 PolarHBondContact O-N 3.31Å; E25-L29 WeakPolarHBondContact O-CG 3.44Å; E25-L29 PolarHBondContact O-N 3.29Å; E25-L29 VanDerWaalsContact O-N 3.12Å; E25-K71 IonicContact OE1-NZ 3.45Å; E25-K71 PolarHBondContact OE1-NZ 3.29Å; E25-R78 IonicContact OE2-NH1 3.86Å
26I86.5Confident79.6Confident74 Ų7486.1 Ų86.138%0.37947%0.468SS..Hα-helixtrans-63.6-43.7-178.8-70.6167000111.7I22 R23 G28 L29 L75I22-I26 HydrophobicContact CG2-CD1 3.66Å; I22-I26 HydrophobicContact CG2-CG1 4.32Å; I22-I26 WeakPolarHBondContact O-CB 3.26Å; I22-I26 WeakPolarHBondContact O-CG1 3.4Å; I22-I26 PolarHBondContact O-N 3.5Å; R23-I26 PolarHBondContact O-N 3.34Å; I26-G28 PolarHBondContact O-N 2.99Å; I26-L29 WeakPolarHBondContact O-CB 3.28Å; I26-L29 PolarHBondContact O-N 3.12Å; I26-L29 VanDerWaalsContact O-N 3.09Å; I26-L75 HydrophobicContact CD1-CD1 4.14Å
27D86Confident78.5Confident142 Ų14289.4 Ų89.476%0.75948%0.478SS*.Hα-helixtrans-65.7-27.7176.7-70.4-22.8000111.8R23R23-D27 WeakPolarHBondContact O-CB 3.48Å; R23-D27 PolarHBondContact O-N 2.96Å
28G80.9Confident77.5Confident56 Ų5691.3 Ų91.358%0.57749%0.487SS*.Hα-helixtrans-79.6-12.5172.500000115.2V24 E25 I26 K30V24-G28 PolarHBondContact O-N 2.97Å; E25-G28 CarbonylContact O-C 3.59Å; E25-G28 PolarHBondContact O-N 3.31Å; I26-G28 PolarHBondContact O-N 2.99Å; G28-K30 PolarHBondContact O-N 3.04Å; G28-K30 VanDerWaalsContact O-N 3.08Å
29L75.9Confident76.9Confident78 Ų7892.2 Ų92.241%0.40849%0.491SS..  trans-68.9107.8178.8-70176.6000110.5E25 I26 C31E25-L29 WeakPolarHBondContact O-CG 3.44Å; E25-L29 PolarHBondContact O-N 3.29Å; E25-L29 VanDerWaalsContact O-N 3.12Å; I26-L29 WeakPolarHBondContact O-CB 3.28Å; I26-L29 PolarHBondContact O-N 3.12Å; I26-L29 VanDerWaalsContact O-N 3.09Å; L29-C31 PolarHBondContact O-N 3.23Å
30K66.1Low76.5Confident108 Ų10894.1 Ų94.147%0.4751%0.507SS..  trans-56.2136.4172.3-68.3-175.9175.5-177.30110.9G28 D32 M393G28-K30 PolarHBondContact O-N 3.04Å; G28-K30 VanDerWaalsContact O-N 3.08Å; K30-D32 HydrophobicContact CB-CB 4.36Å; K30-D32 WeakPolarHBondContact CD-OD2 3.46Å; K30-D32 PolarHBondContact O-N 2.99Å; K30-M393 WeakPolarHBondContact CE-SD 3.46Å; K30-M393 PolarHBondContact NZ-SD 3.23Å
31C60.9Low76.3Confident117 Ų11792.3 Ų92.379%0.79150%0.498SS*.  trans-70.128.3172.6-156.80000113.3L29L29-C31 PolarHBondContact O-N 3.23Å
32D61.6Low76.3Confident95 Ų9591.3 Ų91.351%0.50850%0.497SS..  trans-82.3121.2176.5-74.2-40.7000109.3K30 A34 A35K30-D32 HydrophobicContact CB-CB 4.36Å; K30-D32 WeakPolarHBondContact CD-OD2 3.46Å; K30-D32 PolarHBondContact O-N 2.99Å; D32-A34 PolarHBondContact O-N 2.92Å; D32-A35 PolarHBondContact O-N 3.19Å
33H60.7Low76.3Confident153 Ų15393.8 Ų93.871%0.70851%0.511SS*.THydrogen-bonded Turntrans-57-3.1175.1-62.8-62000115.1
34A60.5Low76.4Confident65 Ų6590.3 Ų90.354%0.53752%0.515SS..THydrogen-bonded Turntrans-78.2-39.2170.100000112.6D32 F36 K37D32-A34 PolarHBondContact O-N 2.92Å; A34-F36 VanDerWaalsContact C-N 3.29Å; A34-F36 PolarHBondContact O-N 3.01Å; A34-K37 WeakPolarHBondContact O-CB 3.37Å; A34-K37 PolarHBondContact O-N 3.47Å; A34-K37 VanDerWaalsContact O-N 3.09Å
35A59.3Low76.7Confident37 Ų3791.8 Ų91.831%0.30651%0.509SS..G310 helixtrans-60.4-39.9-177.100000111.9D32 K37 T38D32-A35 PolarHBondContact O-N 3.19Å; A35-K37 PolarHBondContact O-N 3.3Å; A35-T38 PolarHBondContact O-N 3.48Å; A35-T38 PolarHBondContact O-OG1 3.01Å
36F66.3Low77Confident68 Ų6889.5 Ų89.530%0.29850%0.499SS..G310 helixtrans-74.8-0.6179-55.5-62.4000115.3A34 I67A34-F36 VanDerWaalsContact C-N 3.29Å; A34-F36 PolarHBondContact O-N 3.01Å; F36-I67 HydrophobicContact CB-CD1 4.1Å; F36-I67 HydrophobicContact CB-CG2 3.73Å; F36-I67 HydrophobicContact CD1-CG2 3.31Å; F36-I67 HydrophobicContact CE1-CG2 4.11Å; F36-I67 HydrophobicContact CG-CG2 3.71Å
37K64.3Low77.3Confident170 Ų17090.4 Ų90.474%0.73950%0.5SS*.G310 helixtrans-87.3-26.9175.1-69.3177.7-179.1176.80112.9A34 A35A34-K37 WeakPolarHBondContact O-CB 3.37Å; A34-K37 PolarHBondContact O-N 3.47Å; A34-K37 VanDerWaalsContact O-N 3.09Å; A35-K37 PolarHBondContact O-N 3.3Å
38T70Confident77.7Confident113 Ų11390.2 Ų90.269%0.69349%0.493SS*.  trans-101.496.9174.146.90000107.7A35A35-T38 PolarHBondContact O-N 3.48Å; A35-T38 PolarHBondContact O-OG1 3.01Å
39Q79.4Confident78.3Confident47 Ų4791.8 Ų91.822%0.2249%0.487CS..  trans-126.6136.7174.6-59.6-70.6-86.100106.8L41 L43 A70Q39-L41 PolarHBondContact O-N 3.28Å; Q39-L43 HydrophobicContact CG-CD2 4.4Å; Q39-A70 HydrophobicContact CB-CB 4.09Å; Q39-A70 HydrophobicContact CG-CB 4.22Å
40D84.2Confident79.1Confident120 Ų12089.6 Ų89.664%0.64248%0.475SS*.SBendtrans-59.1-30.5-179.4-59.5-17.5000111.7
41L88.8Confident80.4Confident55 Ų5587.8 Ų87.829%0.28847%0.467SS..SBendtrans-100.4126.2-179-62.9175.1000112Q39 L43 I46 A70 A73Q39-L41 PolarHBondContact O-N 3.28Å; L41-L43 PolarHBondContact O-N 3.16Å; L41-L43 VanDerWaalsContact O-N 3.14Å; L41-I46 HydrophobicContact CB-CD1 3.96Å; L41-A70 HydrophobicContact CB-CB 4.48Å; L41-A73 HydrophobicContact CD1-CB 3.51Å
42P92.4Very high81.8Confident86 Ų8688.3 Ų88.356%0.55846%0.461SS*.  trans-68.9114.2-175.823.5-31.6000112.2A44 R45 I46P42-A44 PolarHBondContact O-N 3.07Å; P42-R45 HydrophobicContact CG-CB 3.97Å; P42-R45 WeakPolarHBondContact O-CA 3.42Å; P42-R45 WeakPolarHBondContact O-CB 3.29Å; P42-R45 PolarHBondContact O-N 3.07Å; P42-I46 PolarHBondContact O-N 3.25Å
43L91.8Very high83.2Confident58 Ų5887.6 Ų87.630%0.30446%0.457SS..Hα-helixtrans-51.2-33.3-177.4-57.7-177.9000114Q39 L41 R45 I46 K47 P66 I67 A70Q39-L43 HydrophobicContact CG-CD2 4.4Å; L41-L43 PolarHBondContact O-N 3.16Å; L41-L43 VanDerWaalsContact O-N 3.14Å; L43-R45 VanDerWaalsContact C-N 3.34Å; L43-R45 PolarHBondContact O-N 3.38Å; L43-I46 HydrophobicContact CD2-CD1 4.42Å; L43-I46 PolarHBondContact O-N 2.8Å; L43-K47 VanDerWaalsContact O-CB 3.31Å; L43-K47 WeakPolarHBondContact O-CB 3.42Å; L43-K47 PolarHBondContact O-N 3.03Å; L43-P66 HydrophobicContact CB-CB 4.47Å; L43-P66 HydrophobicContact CD2-CB 4.35Å; L43-P66 WeakPolarHBondContact CD2-O 3.45Å; L43-I67 HydrophobicContact CD1-CG1 4.09Å; L43-I67 HydrophobicContact CD2-CG1 4.3Å; L43-A70 HydrophobicContact CD2-CB 3.96Å
44A92Very high84.3Confident82 Ų8285.4 Ų85.468%0.67845%0.451SS*.Hα-helixtrans-65.7-33.6176.600000113.1P42 K48P42-A44 PolarHBondContact O-N 3.07Å; A44-K48 WeakPolarHBondContact O-CB 3.26Å; A44-K48 PolarHBondContact O-N 3.2Å; A44-K48 VanDerWaalsContact O-N 3.13Å
45R95.4Very high85.3Confident134 Ų13488.6 Ų88.651%0.50646%0.459SS..Hα-helixtrans-73-44.9175.9-178.357169160.6-3.4110.7P42 L43 K48 I49P42-R45 HydrophobicContact CG-CB 3.97Å; P42-R45 WeakPolarHBondContact O-CA 3.42Å; P42-R45 WeakPolarHBondContact O-CB 3.29Å; P42-R45 PolarHBondContact O-N 3.07Å; L43-R45 VanDerWaalsContact C-N 3.34Å; L43-R45 PolarHBondContact O-N 3.38Å; R45-K48 WeakPolarHBondContact O-CB 3.23Å; R45-K48 PolarHBondContact O-N 2.86Å; R45-K48 VanDerWaalsContact O-N 3.14Å; R45-I49 HydrophobicContact CG-CD1 4.28Å; R45-I49 WeakPolarHBondContact O-CG1 3.36Å; R45-I49 PolarHBondContact O-N 3.45Å
46I94.4Very high86.2Confident21 Ų2189.4 Ų89.411%0.10846%0.458CS..Hα-helixtrans-56.3-52.9174.6-61.2173.4000109.8L41 P42 L43 K48 I49 M50 P66 F69 A70L41-I46 HydrophobicContact CB-CD1 3.96Å; P42-I46 PolarHBondContact O-N 3.25Å; L43-I46 HydrophobicContact CD2-CD1 4.42Å; L43-I46 PolarHBondContact O-N 2.8Å; I46-K48 PolarHBondContact O-N 3.41Å; I46-I49 WeakPolarHBondContact O-CB 3.31Å; I46-I49 PolarHBondContact O-N 2.99Å; I46-M50 HydrophobicContact CG2-CG 4.47Å; I46-M50 HydrophobicContact CG2-SD 4.18Å; I46-M50 WeakPolarHBondContact O-CG 3.49Å; I46-M50 PolarHBondContact O-N 3.23Å; I46-P66 HydrophobicContact CG2-CB 4.33Å; I46-F69 HydrophobicContact CG2-CB 3.65Å; I46-F69 HydrophobicContact CG2-CG 4.46Å; I46-A70 HydrophobicContact CD1-CB 3.61Å
47K92.4Very high86.6Confident94 Ų9491.8 Ų91.841%0.40947%0.468SS..Hα-helixtrans-59.8-29.7177.7-173.2170-176.7165.80113.6L43 K51 I61 P66L43-K47 VanDerWaalsContact O-CB 3.31Å; L43-K47 WeakPolarHBondContact O-CB 3.42Å; L43-K47 PolarHBondContact O-N 3.03Å; K47-K51 PolarHBondContact O-N 3.11Å; K47-I61 HydrophobicContact CG-CD1 4.31Å; K47-P66 HydrophobicContact CB-CG 4.36Å
48K93.6Very high87Confident137 Ų13789.6 Ų89.660%0.59647%0.472SS*.Hα-helixtrans-72.4-37.9173.4-175.4173.1179.1177.30111.9A44 R45 I46 K51 L52A44-K48 WeakPolarHBondContact O-CB 3.26Å; A44-K48 PolarHBondContact O-N 3.2Å; A44-K48 VanDerWaalsContact O-N 3.13Å; R45-K48 WeakPolarHBondContact O-CB 3.23Å; R45-K48 PolarHBondContact O-N 2.86Å; R45-K48 VanDerWaalsContact O-N 3.14Å; I46-K48 PolarHBondContact O-N 3.41Å; K48-K51 PolarHBondContact O-N 3.41Å; K48-L52 PolarHBondContact O-N 2.78Å
49I94.6Very high87.6Confident89 Ų8990.2 Ų90.246%0.45647%0.469SS..Hα-helixtrans-66.7-45.6175.5-66.4164.8000110.3R45 I46 K51 L52R45-I49 HydrophobicContact CG-CD1 4.28Å; R45-I49 WeakPolarHBondContact O-CG1 3.36Å; R45-I49 PolarHBondContact O-N 3.45Å; I46-I49 WeakPolarHBondContact O-CB 3.31Å; I46-I49 PolarHBondContact O-N 2.99Å; I49-K51 PolarHBondContact O-N 3.33Å; I49-K51 VanDerWaalsContact O-N 3.09Å; I49-L52 HydrophobicContact CG2-CD1 4.42Å; I49-L52 VanDerWaalsContact O-CB 3.3Å; I49-L52 WeakPolarHBondContact O-CB 3.15Å; I49-L52 WeakPolarHBondContact O-CG 3.42Å; I49-L52 PolarHBondContact O-N 3.44Å
50M93Very high87.9Confident32 Ų3297.1 Ų97.116%0.15850%0.504CS..Hα-helixtrans-57.9-24.8175.1-63.8175.275.500113.7I46 I56 I61 A65 P66 F69I46-M50 HydrophobicContact CG2-CG 4.47Å; I46-M50 HydrophobicContact CG2-SD 4.18Å; I46-M50 WeakPolarHBondContact O-CG 3.49Å; I46-M50 PolarHBondContact O-N 3.23Å; M50-I56 WeakPolarHBondContact O-CB 3.36Å; M50-I56 VanDerWaalsContact O-CG2 3.26Å; M50-I56 WeakPolarHBondContact O-CG2 3.49Å; M50-I61 HydrophobicContact CB-CD1 3.71Å; M50-I61 HydrophobicContact CE-CD1 4.23Å; M50-I61 HydrophobicContact CE-CG1 4.48Å; M50-I61 HydrophobicContact CE-CG2 3.57Å; M50-I61 HydrophobicContact SD-CD1 4.37Å; M50-I61 HydrophobicContact SD-CG2 4.11Å; M50-A65 HydrophobicContact CE-CB 4.04Å; M50-P66 HydrophobicContact SD-CG 4.25Å; M50-F69 HydrophobicContact CE-CD2 3.87Å; M50-F69 HydrophobicContact CE-CE2 3.74Å; M50-F69 HydrophobicContact SD-CD2 3.88Å; M50-F69 HydrophobicContact SD-CE2 4.28Å
51K92.2Very high88Confident71 Ų7192.6 Ų92.631%0.30948%0.479SS..THydrogen-bonded Turntrans-95.39.5177.2-76.5-173.7166.2-770114.2K47 K48 I49 D53 K57 M59 I61K47-K51 PolarHBondContact O-N 3.11Å; K48-K51 PolarHBondContact O-N 3.41Å; I49-K51 PolarHBondContact O-N 3.33Å; I49-K51 VanDerWaalsContact O-N 3.09Å; K51-D53 VanDerWaalsContact C-N 3.35Å; K51-K57 PolarHBondContact NZ-O 2.97Å; K51-M59 PolarHBondContact NZ-O 3.29Å; K51-I61 HydrophobicContact CD-CD1 4.35Å; K51-I61 HydrophobicContact CG-CD1 3.72Å
52L91.2Very high88.1Confident127 Ų12793 Ų9367%0.66549%0.487SS*.SBendtrans-75.6-29.2168.1-63.9175.9000111.5K48 I49K48-L52 PolarHBondContact O-N 2.78Å; I49-L52 HydrophobicContact CG2-CD1 4.42Å; I49-L52 VanDerWaalsContact O-CB 3.3Å; I49-L52 WeakPolarHBondContact O-CB 3.15Å; I49-L52 WeakPolarHBondContact O-CG 3.42Å; I49-L52 PolarHBondContact O-N 3.44Å
53D90.7Very high87.9Confident80 Ų8092.8 Ų92.843%0.42849%0.492SS..SBendtrans-68.2124.5170.7-171.3-24.1000110K51 D55 I56 K57K51-D53 VanDerWaalsContact C-N 3.35Å; D53-D55 VanDerWaalsContact C-N 3.29Å; D53-D55 PolarHBondContact O-N 3.45Å; D53-D55 PolarHBondContact OD1-N 3.48Å; D53-I56 HydrophobicContact CB-CB 4.22Å; D53-I56 HydrophobicContact CB-CD1 4.01Å; D53-I56 HydrophobicContact CB-CG1 4.07Å; D53-I56 PolarHBondContact O-N 2.93Å; D53-K57 WeakPolarHBondContact O-CB 3.19Å; D53-K57 PolarHBondContact O-N 3.46Å
54D84.3Confident87.7Confident107 Ų10796.2 Ų96.257%0.57251%0.507SS*.Hα-helixtrans-65.9-28.2-177.2-82.7-46.2000112.6K57D54-K57 WeakPolarHBondContact O-CB 3.27Å; D54-K57 VanDerWaalsContact OD1-CD 3.26Å; D54-K57 WeakPolarHBondContact OD1-CD 3.48Å; D54-K57 IonicContact OD1-NZ 3.97Å; D54-K57 PolarHBondContact OD1-NZ 2.84Å
55D81Confident87.7Confident133 Ų13393.6 Ų93.671%0.71149%0.485SS*.Hα-helixtrans-72.5-39.1176.8-74.5-21.2000111.2D53D53-D55 VanDerWaalsContact C-N 3.29Å; D53-D55 PolarHBondContact O-N 3.45Å; D53-D55 PolarHBondContact OD1-N 3.48Å
56I78.7Confident87.6Confident53 Ų5387.6 Ų87.627%0.27246%0.463SS..Hα-helixtrans-78.3-23.7179.1-55.3178.1000111.7M50 D53 C58 M59 I61M50-I56 WeakPolarHBondContact O-CB 3.36Å; M50-I56 VanDerWaalsContact O-CG2 3.26Å; M50-I56 WeakPolarHBondContact O-CG2 3.49Å; D53-I56 HydrophobicContact CB-CB 4.22Å; D53-I56 HydrophobicContact CB-CD1 4.01Å; D53-I56 HydrophobicContact CB-CG1 4.07Å; D53-I56 PolarHBondContact O-N 2.93Å; I56-C58 VanDerWaalsContact C-N 3.32Å; I56-C58 PolarHBondContact O-N 2.95Å; I56-M59 PolarHBondContact O-N 3.39Å; I56-I61 HydrophobicContact CG2-CD1 3.82Å; I56-I61 HydrophobicContact CG2-CG1 3.83Å
57K74.5Confident87.4Confident118 Ų11888.3 Ų88.351%0.51347%0.467SS..Hα-helixtrans-53.9-44.6-177.9-169.6168.7176.41740113.1K51 D53 D54K51-K57 PolarHBondContact NZ-O 2.97Å; D53-K57 WeakPolarHBondContact O-CB 3.19Å; D53-K57 PolarHBondContact O-N 3.46Å; D54-K57 WeakPolarHBondContact O-CB 3.27Å; D54-K57 VanDerWaalsContact OD1-CD 3.26Å; D54-K57 WeakPolarHBondContact OD1-CD 3.48Å; D54-K57 IonicContact OD1-NZ 3.97Å; D54-K57 PolarHBondContact OD1-NZ 2.84Å
58C72.4Confident87.3Confident124 Ų12489.8 Ų89.884%0.83848%0.479SS*.SBendtrans-80.6-17.9176.5-72.30000113.7I56I56-C58 VanDerWaalsContact C-N 3.32Å; I56-C58 PolarHBondContact O-N 2.95Å
59M82.1Confident87.3Confident127 Ų12788.6 Ų88.663%0.62647%0.474SS*.SBendtrans-81.6154.6178-68.8-163.1167.600113.3K51 I56K51-M59 PolarHBondContact NZ-O 3.29Å; I56-M59 PolarHBondContact O-N 3.39Å
60M86.1Confident87.3Confident192 Ų19284.4 Ų84.495%0.94645%0.453SS*.PPolyproline II helixtrans-83.5129.7164.2-65.1-166.7-178.700109.1
61I85.3Confident87.1Confident24 Ų2484.6 Ų84.612%0.12345%0.453CS..PPolyproline II helixtrans-93.6127.8175.3-60.1168.1000107.7K47 M50 K51 I56 A65 P66K47-I61 HydrophobicContact CG-CD1 4.31Å; M50-I61 HydrophobicContact CB-CD1 3.71Å; M50-I61 HydrophobicContact CE-CD1 4.23Å; M50-I61 HydrophobicContact CE-CG1 4.48Å; M50-I61 HydrophobicContact CE-CG2 3.57Å; M50-I61 HydrophobicContact SD-CD1 4.37Å; M50-I61 HydrophobicContact SD-CG2 4.11Å; K51-I61 HydrophobicContact CD-CD1 4.35Å; K51-I61 HydrophobicContact CG-CD1 3.72Å; I56-I61 HydrophobicContact CG2-CD1 3.82Å; I56-I61 HydrophobicContact CG2-CG1 3.83Å; I61-A65 HydrophobicContact CG2-CB 4.06Å; I61-P66 HydrophobicContact CG2-CG 4.2Å
62S91.6Very high87.2Confident64 Ų6483.7 Ų83.745%0.44846%0.458SS..PPolyproline II helixtrans-53.7150.6174.1179.60000111.2E64 A65 P66S62-E64 PolarHBondContact O-N 2.96Å; S62-E64 PolarHBondContact OG-N 3.07Å; S62-E64 PolarHBondContact OG-OE2 3.33Å; S62-A65 PolarHBondContact O-N 2.84Å; S62-P66 WeakPolarHBondContact O-CD 3.22Å
63A88Confident87.4Confident81 Ų8179.2 Ų79.267%0.66944%0.439SS*.SBendtrans-63.1-25.5175.500000112.8I67A63-I67 WeakPolarHBondContact O-CD1 3.28Å
64E88.7Confident87.4Confident131 Ų13176.4 Ų76.461%0.61242%0.424SS*.SBendtrans-78.2-34.2-177.5-63.6155.2153.900112.6S62 I67 L68S62-E64 PolarHBondContact O-N 2.96Å; S62-E64 PolarHBondContact OG-N 3.07Å; S62-E64 PolarHBondContact OG-OE2 3.33Å; E64-I67 WeakPolarHBondContact O-CB 3.42Å; E64-I67 PolarHBondContact O-N 2.95Å; E64-L68 PolarHBondContact O-N 3.5Å
65A91.7Very high87.8Confident27 Ų2772 Ų7222%0.22340%0.4CS..Hα-helixtrans-62.2-43.8-173.600000113.5M50 I61 S62 I67 L68 F69M50-A65 HydrophobicContact CE-CB 4.04Å; I61-A65 HydrophobicContact CG2-CB 4.06Å; S62-A65 PolarHBondContact O-N 2.84Å; A65-I67 PolarHBondContact O-N 2.83Å; A65-L68 PolarHBondContact O-N 3.48Å; A65-F69 VanDerWaalsContact O-CD2 3.28Å; A65-F69 WeakPolarHBondContact O-CD2 3.2Å; A65-F69 PolarHBondContact O-N 3.2Å
66P92.1Very high88.5Confident7 Ų768.7 Ų68.75%0.04538%0.379CS..Hα-helixtrans-62.6-28.3173.3-2435.1000114L43 I46 K47 M50 I61 S62 A70L43-P66 HydrophobicContact CB-CB 4.47Å; L43-P66 HydrophobicContact CD2-CB 4.35Å; L43-P66 WeakPolarHBondContact CD2-O 3.45Å; I46-P66 HydrophobicContact CG2-CB 4.33Å; K47-P66 HydrophobicContact CB-CG 4.36Å; M50-P66 HydrophobicContact SD-CG 4.25Å; I61-P66 HydrophobicContact CG2-CG 4.2Å; S62-P66 WeakPolarHBondContact O-CD 3.22Å; P66-A70 PolarHBondContact O-N 3Å
67I90.2Very high89.2Confident36 Ų3669.9 Ų69.919%0.18539%0.385CS..Hα-helixtrans-72.7-47.7178-61.5168.5000109.3F36 L43 A63 E64 A65 F69 A70 K71F36-I67 HydrophobicContact CB-CD1 4.1Å; F36-I67 HydrophobicContact CB-CG2 3.73Å; F36-I67 HydrophobicContact CD1-CG2 3.31Å; F36-I67 HydrophobicContact CE1-CG2 4.11Å; F36-I67 HydrophobicContact CG-CG2 3.71Å; L43-I67 HydrophobicContact CD1-CG1 4.09Å; L43-I67 HydrophobicContact CD2-CG1 4.3Å; A63-I67 WeakPolarHBondContact O-CD1 3.28Å; E64-I67 WeakPolarHBondContact O-CB 3.42Å; E64-I67 PolarHBondContact O-N 2.95Å; A65-I67 PolarHBondContact O-N 2.83Å; I67-F69 VanDerWaalsContact C-N 3.31Å; I67-F69 PolarHBondContact O-N 3.14Å; I67-A70 WeakPolarHBondContact O-CB 3.49Å; I67-A70 PolarHBondContact O-N 3.32Å; I67-A70 VanDerWaalsContact O-N 3.11Å; I67-K71 PolarHBondContact O-N 3.45Å
68L91.4Very high90.1Very high125 Ų12568.9 Ų68.965%0.65438%0.379SS*.Hα-helixtrans-58.7-43.2174-66.7173.5000111.5E64 A65 A70 K71 A72E64-L68 PolarHBondContact O-N 3.5Å; A65-L68 PolarHBondContact O-N 3.48Å; L68-A70 VanDerWaalsContact C-N 3.32Å; L68-A70 PolarHBondContact O-N 3.17Å; L68-K71 PolarHBondContact O-N 3.43Å; L68-A72 VanDerWaalsContact O-CB 3.23Å; L68-A72 WeakPolarHBondContact O-CB 3.43Å; L68-A72 PolarHBondContact O-N 3.09Å
69F94.2Very high91.1Very high112 Ų11263.1 Ų63.149%0.49134%0.339SS..Hα-helixtrans-66-30175.5-86.8-64.6000113.7I46 M50 A65 I67 A73I46-F69 HydrophobicContact CG2-CB 3.65Å; I46-F69 HydrophobicContact CG2-CG 4.46Å; M50-F69 HydrophobicContact CE-CD2 3.87Å; M50-F69 HydrophobicContact CE-CE2 3.74Å; M50-F69 HydrophobicContact SD-CD2 3.88Å; M50-F69 HydrophobicContact SD-CE2 4.28Å; A65-F69 VanDerWaalsContact O-CD2 3.28Å; A65-F69 WeakPolarHBondContact O-CD2 3.2Å; A65-F69 PolarHBondContact O-N 3.2Å; I67-F69 VanDerWaalsContact C-N 3.31Å; I67-F69 PolarHBondContact O-N 3.14Å; F69-A73 WeakPolarHBondContact O-CB 3.31Å; F69-A73 PolarHBondContact O-N 2.94Å
70A92.7Very high91.6Very high2 Ų258.2 Ų58.22%0.01732%0.316CS..Hα-helixtrans-64-52.7174.800000110.6Q39 L41 L43 I46 P66 I67 L68 A73 E74Q39-A70 HydrophobicContact CB-CB 4.09Å; Q39-A70 HydrophobicContact CG-CB 4.22Å; L41-A70 HydrophobicContact CB-CB 4.48Å; L43-A70 HydrophobicContact CD2-CB 3.96Å; I46-A70 HydrophobicContact CD1-CB 3.61Å; P66-A70 PolarHBondContact O-N 3Å; I67-A70 WeakPolarHBondContact O-CB 3.49Å; I67-A70 PolarHBondContact O-N 3.32Å; I67-A70 VanDerWaalsContact O-N 3.11Å; L68-A70 VanDerWaalsContact C-N 3.32Å; L68-A70 PolarHBondContact O-N 3.17Å; A70-A73 PolarHBondContact O-N 2.9Å; A70-E74 WeakPolarHBondContact O-CB 3.43Å; A70-E74 PolarHBondContact O-N 2.73Å
71K90.6Very high92Very high36 Ų3651.9 Ų51.916%0.15729%0.287CS..Hα-helixtrans-66.4-40.3178-169.856169.4-173.40112.5E25 I67 L68 A73 E74 L75E25-K71 IonicContact OE1-NZ 3.45Å; E25-K71 PolarHBondContact OE1-NZ 3.29Å; I67-K71 PolarHBondContact O-N 3.45Å; L68-K71 PolarHBondContact O-N 3.43Å; K71-A73 PolarHBondContact O-N 3.31Å; K71-E74 WeakPolarHBondContact CD-OE2 3.11Å; K71-E74 IonicContact NZ-OE1 2.73Å; K71-E74 PolarHBondContact NZ-OE1 2.88Å; K71-E74 IonicContact NZ-OE2 3.52Å; K71-E74 PolarHBondContact NZ-OE2 3.36Å; K71-E74 WeakPolarHBondContact O-CB 3.46Å; K71-E74 PolarHBondContact O-N 3.33Å; K71-L75 HydrophobicContact CD-CG 4.45Å; K71-L75 HydrophobicContact CG-CD1 4.31Å; K71-L75 VanDerWaalsContact O-CG 3.28Å; K71-L75 WeakPolarHBondContact O-CG 3.43Å; K71-L75 PolarHBondContact O-N 3.12Å
72A93Very high92.3Very high52 Ų5253 Ų5343%0.4329%0.294SS..Hα-helixtrans-63.2-40.2176.900000112.3L68 F76L68-A72 VanDerWaalsContact O-CB 3.23Å; L68-A72 WeakPolarHBondContact O-CB 3.43Å; L68-A72 PolarHBondContact O-N 3.09Å; A72-F76 WeakPolarHBondContact O-CB 3.46Å; A72-F76 PolarHBondContact O-N 3.46Å
73A95.2Very high92.3Very high32 Ų3251.5 Ų51.526%0.26428%0.278SS..Hα-helixtrans-70.5-37.7176.800000112.6L41 F69 A70 K71 F76 I77L41-A73 HydrophobicContact CD1-CB 3.51Å; F69-A73 WeakPolarHBondContact O-CB 3.31Å; F69-A73 PolarHBondContact O-N 2.94Å; A70-A73 PolarHBondContact O-N 2.9Å; K71-A73 PolarHBondContact O-N 3.31Å; A73-F76 PolarHBondContact O-N 2.9Å; A73-I77 WeakPolarHBondContact O-CB 3.4Å; A73-I77 WeakPolarHBondContact O-CD1 3.31Å; A73-I77 VanDerWaalsContact O-CG1 3.22Å; A73-I77 WeakPolarHBondContact O-CG1 3.42Å; A73-I77 PolarHBondContact O-N 3.25Å
74E92.2Very high92.6Very high22 Ų2247.6 Ų47.610%0.10325%0.246CC..Hα-helixtrans-56-50.9171.1-179.2-161.2141.900111.2A70 K71 I77 R78A70-E74 WeakPolarHBondContact O-CB 3.43Å; A70-E74 PolarHBondContact O-N 2.73Å; K71-E74 WeakPolarHBondContact CD-OE2 3.11Å; K71-E74 IonicContact NZ-OE1 2.73Å; K71-E74 PolarHBondContact NZ-OE1 2.88Å; K71-E74 IonicContact NZ-OE2 3.52Å; K71-E74 PolarHBondContact NZ-OE2 3.36Å; K71-E74 WeakPolarHBondContact O-CB 3.46Å; K71-E74 PolarHBondContact O-N 3.33Å; E74-I77 PolarHBondContact O-N 3.48Å; E74-R78 WeakPolarHBondContact O-CG 3.25Å; E74-R78 PolarHBondContact O-N 3.45Å; E74-R78 VanDerWaalsContact O-N 3.12Å; E74-R78 IonicContact OE1-CZ 2.69Å; E74-R78 IonicContact OE1-NH1 2.66Å; E74-R78 PolarHBondContact OE1-NH1 3.37Å; E74-R78 IonicContact OE1-NH2 2.67Å; E74-R78 PolarHBondContact OE1-NH2 2.96Å
75L92.6Very high92.8Very high14 Ų1445.1 Ų45.17%0.07323%0.231CC..Hα-helixtrans-65.5-43.6178.5-64.8177.1000112.4I22 I26 K71 I77 R78 E79I22-L75 HydrophobicContact CB-CD2 4.39Å; I22-L75 HydrophobicContact CD1-CD2 3.51Å; I22-L75 HydrophobicContact CG1-CD2 3.85Å; I22-L75 HydrophobicContact CG2-CD1 3.82Å; I22-L75 HydrophobicContact CG2-CD2 3.6Å; I22-L75 HydrophobicContact CG2-CG 4.35Å; I26-L75 HydrophobicContact CD1-CD1 4.14Å; K71-L75 HydrophobicContact CD-CG 4.45Å; K71-L75 HydrophobicContact CG-CD1 4.31Å; K71-L75 VanDerWaalsContact O-CG 3.28Å; K71-L75 WeakPolarHBondContact O-CG 3.43Å; K71-L75 PolarHBondContact O-N 3.12Å; L75-I77 PolarHBondContact O-N 3.34Å; L75-R78 PolarHBondContact O-N 2.88Å; L75-E79 PolarHBondContact O-N 2.97Å
76F94.3Very high92.8Very high63 Ų6345.2 Ų45.228%0.27623%0.227SC..Hα-helixtrans-60.1-43.5177.1170.2-100.2000112.4A72 A73 L80 F113 F115 L116A72-F76 WeakPolarHBondContact O-CB 3.46Å; A72-F76 PolarHBondContact O-N 3.46Å; A73-F76 PolarHBondContact O-N 2.9Å; F76-L80 HydrophobicContact CE1-CD2 4.15Å; F76-L80 HydrophobicContact CZ-CD2 3.93Å; F76-L80 VanDerWaalsContact O-CB 3.25Å; F76-L80 WeakPolarHBondContact O-CB 3.45Å; F76-L80 PolarHBondContact O-N 2.9Å; F76-F113 HydrophobicContact CD2-CE1 4.25Å; F76-F113 AromaticContact CE2-CD1 3.98Å; F76-F113 HydrophobicContact CE2-CD1 3.98Å; F76-F113 AromaticContact CE2-CE1 3.73Å; F76-F113 HydrophobicContact CE2-CE1 3.73Å; F76-F115 HydrophobicContact CE2-CE1 4.17Å; F76-F115 AromaticContact CE2-CZ 3.62Å; F76-F115 HydrophobicContact CE2-CZ 3.62Å; F76-F115 AromaticContact CZ-CZ 3.77Å; F76-F115 HydrophobicContact CZ-CZ 3.77Å; F76-L116 HydrophobicContact CZ-CD1 4.13Å
77I95Very high92.7Very high78 Ų7845.5 Ų45.540%0.423%0.228SC..Hα-helixtrans-64.2-42.6176.7-69.8164.9000110.4A73 E74 L75 T81A73-I77 WeakPolarHBondContact O-CB 3.4Å; A73-I77 WeakPolarHBondContact O-CD1 3.31Å; A73-I77 VanDerWaalsContact O-CG1 3.22Å; A73-I77 WeakPolarHBondContact O-CG1 3.42Å; A73-I77 PolarHBondContact O-N 3.25Å; E74-I77 PolarHBondContact O-N 3.48Å; L75-I77 PolarHBondContact O-N 3.34Å; I77-T81 WeakPolarHBondContact O-CB 3.46Å; I77-T81 PolarHBondContact O-N 3.28Å; I77-T81 PolarHBondContact O-OG1 3.21Å
78R93.4Very high92.8Very high98 Ų9843.8 Ų43.837%0.3722%0.22SC..Hα-helixtrans-61.9-51176.6-72178.8-172.4160.211.6112F18 E25 E74 L75 T81 L82F18-R78 HydrophobicContact CE2-CB 3.95Å; F18-R78 HydrophobicContact CZ-CB 3.8Å; E25-R78 IonicContact OE2-NH1 3.86Å; E74-R78 WeakPolarHBondContact O-CG 3.25Å; E74-R78 PolarHBondContact O-N 3.45Å; E74-R78 VanDerWaalsContact O-N 3.12Å; E74-R78 IonicContact OE1-CZ 2.69Å; E74-R78 IonicContact OE1-NH1 2.66Å; E74-R78 PolarHBondContact OE1-NH1 3.37Å; E74-R78 IonicContact OE1-NH2 2.67Å; E74-R78 PolarHBondContact OE1-NH2 2.96Å; L75-R78 PolarHBondContact O-N 2.88Å; R78-T81 PolarHBondContact O-N 3.46Å; R78-L82 WeakPolarHBondContact O-CB 3.22Å; R78-L82 PolarHBondContact O-N 3.01Å
79E92.2Very high92.9Very high3 Ų343 Ų431%0.01421%0.212CC..Hα-helixtrans-58.1-52178.2171.3169.6-133.500111.6M15 F18 W19 L75 T81 L82 R83 Q112 F113M15-E79 HydrophobicContact CE-CG 4.01Å; M15-E79 HydrophobicContact SD-CG 3.77Å; M15-E79 VanDerWaalsContact SD-OE1 3.33Å; F18-E79 HydrophobicContact CE1-CB 4.06Å; W19-E79 WeakPolarHBondContact CZ2-OE2 3.41Å; W19-E79 PolarHBondContact NE1-OE1 2.66Å; L75-E79 PolarHBondContact O-N 2.97Å; E79-T81 VanDerWaalsContact C-N 3.3Å; E79-T81 PolarHBondContact O-N 3.46Å; E79-L82 PolarHBondContact O-N 2.69Å; E79-R83 WeakPolarHBondContact O-CG 3.34Å; E79-R83 PolarHBondContact O-N 3.35Å; E79-R83 IonicContact OE1-CZ 3.26Å; E79-R83 IonicContact OE1-NE 2.65Å; E79-R83 PolarHBondContact OE1-NE 3.33Å; E79-R83 IonicContact OE1-NH2 3.48Å; E79-R83 PolarHBondContact OE1-NH2 2.75Å; E79-Q112 PolarHBondContact OE2-NE2 2.97Å; E79-F113 HydrophobicContact CG-CZ 4.19Å
80L93.2Very high92.7Very high24 Ų2446 Ų4613%0.12622%0.22CC..Hα-helixtrans-62.8-39-177.9-17960.7000111.7F76 A84 I101 V105 F113F76-L80 HydrophobicContact CE1-CD2 4.15Å; F76-L80 HydrophobicContact CZ-CD2 3.93Å; F76-L80 VanDerWaalsContact O-CB 3.25Å; F76-L80 WeakPolarHBondContact O-CB 3.45Å; F76-L80 PolarHBondContact O-N 2.9Å; L80-A84 WeakPolarHBondContact O-CB 3.4Å; L80-A84 PolarHBondContact O-N 2.67Å; L80-I101 HydrophobicContact CD1-CG2 4.35Å; L80-I101 HydrophobicContact CD2-CG2 4.31Å; L80-I101 HydrophobicContact CG-CG2 4.43Å; L80-V105 HydrophobicContact CD1-CG2 3.84Å; L80-F113 HydrophobicContact CD1-CD1 4.42Å; L80-F113 HydrophobicContact CD1-CE1 4.28Å
81T94Very high92.6Very high58 Ų5849.4 Ų49.436%0.35624%0.239SC..Hα-helixtrans-66.8-40.4176.9-56.10000111.2I77 R78 E79 A84 W85 L96I77-T81 WeakPolarHBondContact O-CB 3.46Å; I77-T81 PolarHBondContact O-N 3.28Å; I77-T81 PolarHBondContact O-OG1 3.21Å; R78-T81 PolarHBondContact O-N 3.46Å; E79-T81 VanDerWaalsContact C-N 3.3Å; E79-T81 PolarHBondContact O-N 3.46Å; T81-A84 PolarHBondContact O-N 3.22Å; T81-W85 VanDerWaalsContact O-CB 3.3Å; T81-W85 WeakPolarHBondContact O-CB 3.38Å; T81-W85 PolarHBondContact O-N 3.2Å; T81-L96 HydrophobicContact CG2-CD2 4.31Å
82L92.9Very high92.7Very high48 Ų4859 Ų5925%0.25127%0.274SS..Hα-helixtrans-65.4-42.2177.9-169142.9000111.7Q14 M15 R78 E79 W85 I86Q14-L82 HydrophobicContact CB-CD2 4.3Å; M15-L82 HydrophobicContact CE-CD2 3.6Å; R78-L82 WeakPolarHBondContact O-CB 3.22Å; R78-L82 PolarHBondContact O-N 3.01Å; E79-L82 PolarHBondContact O-N 2.69Å; L82-W85 PolarHBondContact O-N 3.09Å; L82-I86 HydrophobicContact CD2-CD1 4.43Å
83R91.7Very high92.8Very high32 Ų3259.4 Ų59.412%0.12126%0.264CS..Hα-helixtrans-62.1-44.5173-65.4-178.5-175.1-137.816.5112M15 E79 I86 A104 T110M15-R83 HydrophobicContact CE-CG 3.4Å; M15-R83 VanDerWaalsContact CE-CG 3.4Å; E79-R83 WeakPolarHBondContact O-CG 3.34Å; E79-R83 PolarHBondContact O-N 3.35Å; E79-R83 IonicContact OE1-CZ 3.26Å; E79-R83 IonicContact OE1-NE 2.65Å; E79-R83 PolarHBondContact OE1-NE 3.33Å; E79-R83 IonicContact OE1-NH2 3.48Å; E79-R83 PolarHBondContact OE1-NH2 2.75Å; R83-I86 PolarHBondContact O-N 3.48Å; R83-A104 HydrophobicContact CB-CB 3.85Å; R83-T110 PolarHBondContact NH1-OG1 2.98Å
84A92.5Very high92.7Very high0 Ų067.3 Ų67.30%029%0.287CS..Hα-helixtrans-69.8-30.8178.500000113.3L80 T81 I86 H87 T88 L96 D100 I101 A104L80-A84 WeakPolarHBondContact O-CB 3.4Å; L80-A84 PolarHBondContact O-N 2.67Å; T81-A84 PolarHBondContact O-N 3.22Å; A84-I86 VanDerWaalsContact C-N 3.26Å; A84-I86 PolarHBondContact O-N 2.94Å; A84-H87 PolarHBondContact O-N 2.95Å; A84-T88 PolarHBondContact O-N 2.86Å; A84-T88 PolarHBondContact O-OG1 2.93Å; A84-L96 HydrophobicContact CB-CD1 3.74Å; A84-D100 HydrophobicContact CB-CB 4.37Å; A84-D100 WeakPolarHBondContact O-CB 3.33Å; A84-I101 HydrophobicContact CB-CB 4.48Å; A84-I101 HydrophobicContact CB-CG1 3.93Å; A84-A104 HydrophobicContact CB-CB 4.02Å
85W93.5Very high92.9Very high78 Ų7869.3 Ų69.330%0.29530%0.301SS..Hα-helixtrans-61.8-34.9178-172.1-104.2000112.4T81 L82 H87 T88 E89 L96 I510T81-W85 VanDerWaalsContact O-CB 3.3Å; T81-W85 WeakPolarHBondContact O-CB 3.38Å; T81-W85 PolarHBondContact O-N 3.2Å; L82-W85 PolarHBondContact O-N 3.09Å; W85-H87 VanDerWaalsContact C-N 3.29Å; W85-H87 PolarHBondContact O-N 3.12Å; W85-T88 HydrophobicContact CE3-CG2 4.25Å; W85-T88 HydrophobicContact CZ3-CG2 4.12Å; W85-T88 CarbonylContact O-C 3.46Å; W85-T88 WeakPolarHBondContact O-CA 3.46Å; W85-T88 WeakPolarHBondContact O-CB 3.45Å; W85-T88 PolarHBondContact O-N 3.21Å; W85-E89 PolarHBondContact NE1-OE1 2.88Å; W85-E89 PolarHBondContact O-N 3.02Å; W85-L96 HydrophobicContact CE3-CD1 4.26Å; W85-I510 HydrophobicContact CZ3-CD1 4.44Å
86I91.4Very high93Very high29 Ų2970.9 Ų70.915%0.14931%0.309CS..Hα-helixtrans-62.9-35.3178.9-66.6158.6000111.8C11 L82 R83 A84 T88 R90C11-I86 HydrophobicContact CB-CD1 3.69Å; C11-I86 WeakPolarHBondContact SG-CD1 3.33Å; L82-I86 HydrophobicContact CD2-CD1 4.43Å; R83-I86 PolarHBondContact O-N 3.48Å; A84-I86 VanDerWaalsContact C-N 3.26Å; A84-I86 PolarHBondContact O-N 2.94Å; I86-T88 VanDerWaalsContact C-N 3.34Å; I86-R90 WeakPolarHBondContact O-CB 3.41Å; I86-R90 PolarHBondContact O-N 3.05Å
87H90.5Very high93Very high14 Ų1471.9 Ų71.97%0.06532%0.315CS..Hα-helixtrans-70.1-31.8171.6-66.3-67000112.9A84 W85 N91 D100 M103 D107A84-H87 PolarHBondContact O-N 2.95Å; W85-H87 VanDerWaalsContact C-N 3.29Å; W85-H87 PolarHBondContact O-N 3.12Å; H87-N91 VanDerWaalsContact O-CB 3.26Å; H87-N91 WeakPolarHBondContact O-CB 3.21Å; H87-N91 PolarHBondContact O-N 2.88Å; H87-N91 VanDerWaalsContact O-N 3.07Å; H87-N91 PolarHBondContact O-ND2 3Å; H87-N91 VanDerWaalsContact O-ND2 3.16Å; H87-D100 HydrophobicContact CB-CB 3.98Å; H87-M103 WeakPolarHBondContact ND1-CE 3.37Å; H87-D107 IonicContact CD2-OD2 3.07Å; H87-D107 IonicContact CE1-OD1 2.69Å; H87-D107 IonicContact CE1-OD2 3.58Å; H87-D107 PolarHBondContact CE1-OD2 3.29Å; H87-D107 VanDerWaalsContact CE1-OD2 3.26Å; H87-D107 IonicContact NE2-OD1 3.04Å; H87-D107 IonicContact NE2-OD2 3.69Å; H87-D107 PolarHBondContact NE2-OD2 2.95Å
88T92.9Very high92.9Very high0 Ų075.2 Ų75.20%032%0.322CS..Hα-helixtrans-65.4-48.2174.7-55.50000110.6A84 W85 I86 N91 R92 R93 T95 D100A84-T88 PolarHBondContact O-N 2.86Å; A84-T88 PolarHBondContact O-OG1 2.93Å; W85-T88 HydrophobicContact CE3-CG2 4.25Å; W85-T88 HydrophobicContact CZ3-CG2 4.12Å; W85-T88 CarbonylContact O-C 3.46Å; W85-T88 WeakPolarHBondContact O-CA 3.46Å; W85-T88 WeakPolarHBondContact O-CB 3.45Å; W85-T88 PolarHBondContact O-N 3.21Å; I86-T88 VanDerWaalsContact C-N 3.34Å; T88-N91 CarbonylContact O-C 3.52Å; T88-N91 PolarHBondContact O-N 3.44Å; T88-R92 PolarHBondContact O-N 2.8Å; T88-R93 HydrophobicContact CG2-CB 3.88Å; T88-R93 PolarHBondContact O-N 2.95Å; T88-T95 WeakPolarHBondContact CG2-O 3.36Å; T88-D100 PolarHBondContact OG1-OD2 3.26Å; T88-D100 VanDerWaalsContact OG1-OD2 3.06Å
89E92.6Very high92.9Very high108 Ų10875.1 Ų75.151%0.50533%0.329SS..Hα-helixtrans-67.1-44.1177.2-69.1-169.8155.200112.6W85 N91 R92W85-E89 PolarHBondContact NE1-OE1 2.88Å; W85-E89 PolarHBondContact O-N 3.02Å; E89-N91 PolarHBondContact O-N 3.37Å; E89-R92 WeakPolarHBondContact O-CA 3.33Å; E89-R92 PolarHBondContact O-N 3.18Å
90R89.7Confident92.9Very high174 Ų17475 Ų7566%0.65733%0.329SS*.Hα-helixtrans-54.8-37.7173.5178.7-177.9169.694.10.9111.8I86 R92I86-R90 WeakPolarHBondContact O-CB 3.41Å; I86-R90 PolarHBondContact O-N 3.05Å; R90-R92 VanDerWaalsContact C-N 3.26Å; R90-R92 PolarHBondContact O-N 3.22Å
91N92.2Very high92.9Very high75 Ų7576.2 Ų76.240%0.40134%0.335SS..THydrogen-bonded Turntrans-85.27.8176.9-68.1-21.6000113.7H87 T88 E89 R93H87-N91 VanDerWaalsContact O-CB 3.26Å; H87-N91 WeakPolarHBondContact O-CB 3.21Å; H87-N91 PolarHBondContact O-N 2.88Å; H87-N91 VanDerWaalsContact O-N 3.07Å; H87-N91 PolarHBondContact O-ND2 3Å; H87-N91 VanDerWaalsContact O-ND2 3.16Å; T88-N91 CarbonylContact O-C 3.52Å; T88-N91 PolarHBondContact O-N 3.44Å; E89-N91 PolarHBondContact O-N 3.37Å; N91-R93 PolarHBondContact ND2-NH2 2.99Å; N91-R93 PolarHBondContact O-N 3.14Å
92R92.6Very high92.8Very high237 Ų23773.9 Ų73.989%0.89432%0.322SS*.THydrogen-bonded Turntrans54.833.2-179-56.6-176.9179-172.9-1.8113.9T88 E89 R90T88-R92 PolarHBondContact O-N 2.8Å; E89-R92 WeakPolarHBondContact O-CA 3.33Å; E89-R92 PolarHBondContact O-N 3.18Å; R90-R92 VanDerWaalsContact C-N 3.26Å; R90-R92 PolarHBondContact O-N 3.22Å
93R94.2Very high92.7Very high60 Ų6075.3 Ų75.323%0.22633%0.328CS..  trans-101.3160.8174.3-72.8-177.7-76.8101.3-5.8110.1T88 N91 T95 D100T88-R93 HydrophobicContact CG2-CB 3.88Å; T88-R93 PolarHBondContact O-N 2.95Å; N91-R93 PolarHBondContact ND2-NH2 2.99Å; N91-R93 PolarHBondContact O-N 3.14Å; R93-T95 PolarHBondContact NH1-O 3.32Å; R93-D100 IonicContact CZ-OD1 3.56Å; R93-D100 IonicContact CZ-OD2 3.46Å; R93-D100 IonicContact NH1-OD1 3.31Å; R93-D100 IonicContact NH1-OD2 2.7Å; R93-D100 PolarHBondContact NH1-OD2 3.22Å; R93-D100 IonicContact NH2-OD1 3.57Å; R93-D100 PolarHBondContact NH2-OD1 3.03Å; R93-D100 IonicContact NH2-OD2 3.33Å; R93-D100 PolarHBondContact NH2-OD2 3.41Å
94R93.7Very high92.6Very high198 Ų19873.9 Ų73.975%0.74732%0.323SS*.SBendtrans-115.48169.9-62.7-175.767.4-166.3-0.1112.5
95T95.2Very high92.6Very high64 Ų6474.2 Ų74.239%0.39333%0.325SS..SBendtrans-121.8115.3-179.4-48.90000107.7T88 R93 Q97T88-T95 WeakPolarHBondContact CG2-O 3.36Å; R93-T95 PolarHBondContact NH1-O 3.32Å; T95-Q97 PolarHBondContact O-N 3.16Å
96L95.5Very high92.3Very high48 Ų4873 Ų7325%0.25133%0.328SS..  trans-62.1128.7172.9-170.384.5000109T81 A84 W85 D100 I101T81-L96 HydrophobicContact CG2-CD2 4.31Å; A84-L96 HydrophobicContact CB-CD1 3.74Å; W85-L96 HydrophobicContact CE3-CD1 4.26Å; L96-D100 HydrophobicContact CD1-CB 4.44Å; L96-I101 HydrophobicContact CD2-CD1 4.41Å
97Q94.1Very high91.7Very high84 Ų8474.4 Ų74.439%0.39334%0.336SS..  trans-115156.9178.7-64.1-178.1-12.200111.1T95 N99 D100 I101T95-Q97 PolarHBondContact O-N 3.16Å; Q97-N99 PolarHBondContact O-N 3.48Å; Q97-N99 VanDerWaalsContact O-N 3.12Å; Q97-D100 WeakPolarHBondContact CA-OD2 3.45Å; Q97-D100 WeakPolarHBondContact CB-OD2 3.39Å; Q97-D100 PolarHBondContact N-OD2 3.08Å; Q97-D100 WeakPolarHBondContact O-CB 3.44Å; Q97-D100 PolarHBondContact O-N 3.41Å; Q97-I101 PolarHBondContact O-N 3.18Å
98R93.3Very high90.5Very high148 Ų14877.5 Ų77.556%0.55837%0.372SS*.Hα-helixtrans-53.9-32.5174.4-172.3-177.8-177-83.610.7113D100 I101 A102 P121R98-D100 VanDerWaalsContact C-N 3.34Å; R98-I101 PolarHBondContact O-N 3.44Å; R98-A102 PolarHBondContact O-N 3.02Å; R98-P121 VanDerWaalsContact NH2-CD 3.34Å
99N92.3Very high89.4Confident95 Ų9581.9 Ų81.951%0.50840%0.395SS..Hα-helixtrans-67.5-32.5176.3-65.2-26.4000112.5Q97 I101 A102 M103Q97-N99 PolarHBondContact O-N 3.48Å; Q97-N99 VanDerWaalsContact O-N 3.12Å; N99-I101 VanDerWaalsContact C-N 3.34Å; N99-A102 PolarHBondContact O-N 3.42Å; N99-M103 WeakPolarHBondContact O-CG 3.41Å; N99-M103 PolarHBondContact O-N 2.92Å
100D93.2Very high88.1Confident1 Ų178.9 Ų78.91%0.00539%0.385CS..Hα-helixtrans-68.5-37.2177.3-57.6-48.1000111.4A84 H87 T88 R93 L96 Q97 R98 M103 A104A84-D100 HydrophobicContact CB-CB 4.37Å; A84-D100 WeakPolarHBondContact O-CB 3.33Å; H87-D100 HydrophobicContact CB-CB 3.98Å; T88-D100 PolarHBondContact OG1-OD2 3.26Å; T88-D100 VanDerWaalsContact OG1-OD2 3.06Å; R93-D100 IonicContact CZ-OD1 3.56Å; R93-D100 IonicContact CZ-OD2 3.46Å; R93-D100 IonicContact NH1-OD1 3.31Å; R93-D100 IonicContact NH1-OD2 2.7Å; R93-D100 PolarHBondContact NH1-OD2 3.22Å; R93-D100 IonicContact NH2-OD1 3.57Å; R93-D100 PolarHBondContact NH2-OD1 3.03Å; R93-D100 IonicContact NH2-OD2 3.33Å; R93-D100 PolarHBondContact NH2-OD2 3.41Å; L96-D100 HydrophobicContact CD1-CB 4.44Å; Q97-D100 WeakPolarHBondContact CA-OD2 3.45Å; Q97-D100 WeakPolarHBondContact CB-OD2 3.39Å; Q97-D100 PolarHBondContact N-OD2 3.08Å; Q97-D100 WeakPolarHBondContact O-CB 3.44Å; Q97-D100 PolarHBondContact O-N 3.41Å; R98-D100 VanDerWaalsContact C-N 3.34Å; D100-M103 PolarHBondContact O-N 2.88Å; D100-A104 WeakPolarHBondContact O-CB 3.46Å; D100-A104 PolarHBondContact O-N 3.05Å
101I93.2Very high87.8Confident49 Ų4977.7 Ų77.725%0.25139%0.392SS..Hα-helixtrans-66.1-43.7172.1-55.1174.2000110L80 A84 L96 Q97 R98 N99 M103 A104 V105L80-I101 HydrophobicContact CD1-CG2 4.35Å; L80-I101 HydrophobicContact CD2-CG2 4.31Å; L80-I101 HydrophobicContact CG-CG2 4.43Å; A84-I101 HydrophobicContact CB-CB 4.48Å; A84-I101 HydrophobicContact CB-CG1 3.93Å; L96-I101 HydrophobicContact CD2-CD1 4.41Å; Q97-I101 PolarHBondContact O-N 3.18Å; R98-I101 PolarHBondContact O-N 3.44Å; N99-I101 VanDerWaalsContact C-N 3.34Å; I101-M103 VanDerWaalsContact C-N 3.29Å; I101-M103 PolarHBondContact O-N 2.91Å; I101-A104 PolarHBondContact O-N 2.65Å; I101-V105 HydrophobicContact CG2-CG2 4.33Å; I101-V105 WeakPolarHBondContact O-CB 3.43Å; I101-V105 VanDerWaalsContact O-CG2 3.31Å; I101-V105 WeakPolarHBondContact O-CG2 3.48Å; I101-V105 PolarHBondContact O-N 3.26Å
102A92.6Very high87.6Confident10 Ų1078.5 Ų78.58%0.08339%0.393CS..Hα-helixtrans-62.2-35.5176.800000112.7R98 N99 S106 V120R98-A102 PolarHBondContact O-N 3.02Å; N99-A102 PolarHBondContact O-N 3.42Å; A102-S106 VanDerWaalsContact O-CB 3.31Å; A102-S106 WeakPolarHBondContact O-CB 3.45Å; A102-S106 PolarHBondContact O-N 3.21Å; A102-S106 PolarHBondContact O-OG 3.04Å; A102-V120 HydrophobicContact CB-CG1 3.74Å
103M90.1Very high87.5Confident77 Ų7767.3 Ų67.338%0.37935%0.351SS..Hα-helixtrans-67.2-51.7171.7-69.9-179.37200111.2H87 N99 D100 I101 V105 S106 D107H87-M103 WeakPolarHBondContact ND1-CE 3.37Å; N99-M103 WeakPolarHBondContact O-CG 3.41Å; N99-M103 PolarHBondContact O-N 2.92Å; D100-M103 PolarHBondContact O-N 2.88Å; I101-M103 VanDerWaalsContact C-N 3.29Å; I101-M103 PolarHBondContact O-N 2.91Å; M103-V105 VanDerWaalsContact C-N 3.26Å; M103-V105 PolarHBondContact O-N 3.01Å; M103-S106 CarbonylContact O-C 3.55Å; M103-S106 WeakPolarHBondContact O-CA 3.43Å; M103-S106 PolarHBondContact O-N 3.39Å; M103-D107 VanDerWaalsContact O-CG 3.31Å; M103-D107 PolarHBondContact O-N 2.69Å
104A90.2Very high87.3Confident3 Ų368.3 Ų68.33%0.02536%0.36CS..Hα-helixtrans-58.6-31.6178.600000114.7R83 A84 D100 I101R83-A104 HydrophobicContact CB-CB 3.85Å; A84-A104 HydrophobicContact CB-CB 4.02Å; D100-A104 WeakPolarHBondContact O-CB 3.46Å; D100-A104 PolarHBondContact O-N 3.05Å; I101-A104 PolarHBondContact O-N 2.65Å
105V90.8Very high87.2Confident6 Ų665.1 Ų65.14%0.03635%0.352CS..Hα-helixtrans-78.6-20.3174169.40000112.5L80 I101 M103 F113 L116 R122L80-V105 HydrophobicContact CD1-CG2 3.84Å; I101-V105 HydrophobicContact CG2-CG2 4.33Å; I101-V105 WeakPolarHBondContact O-CB 3.43Å; I101-V105 VanDerWaalsContact O-CG2 3.31Å; I101-V105 WeakPolarHBondContact O-CG2 3.48Å; I101-V105 PolarHBondContact O-N 3.26Å; M103-V105 VanDerWaalsContact C-N 3.26Å; M103-V105 PolarHBondContact O-N 3.01Å; V105-F113 HydrophobicContact CB-CB 4.47Å; V105-F113 HydrophobicContact CG1-CB 4.15Å; V105-F113 HydrophobicContact CG2-CB 4.37Å; V105-L116 HydrophobicContact CG1-CB 3.89Å; V105-L116 HydrophobicContact CG1-CD1 4.34Å; V105-L116 HydrophobicContact CG2-CD1 3.71Å; V105-R122 PolarHBondContact O-NH2 3.05Å
106S87.4Confident87.1Confident53 Ų5362.7 Ų62.737%0.37134%0.337SS..Hα-helixtrans-99.8-12.3179.7-54.90000113.7A102 M103 G108 R122A102-S106 VanDerWaalsContact O-CB 3.31Å; A102-S106 WeakPolarHBondContact O-CB 3.45Å; A102-S106 PolarHBondContact O-N 3.21Å; A102-S106 PolarHBondContact O-OG 3.04Å; M103-S106 CarbonylContact O-C 3.55Å; M103-S106 WeakPolarHBondContact O-CA 3.43Å; M103-S106 PolarHBondContact O-N 3.39Å; S106-G108 PolarHBondContact O-N 3.43Å; S106-R122 VanDerWaalsContact OG-CD 3.26Å; S106-R122 WeakPolarHBondContact OG-CD 3.38Å; S106-R122 WeakPolarHBondContact OG-CG 3.3Å
107D80.1Confident86.7Confident58 Ų5863.8 Ų63.831%0.3134%0.342SS..  trans-62.8124.3177.7-72.5-29.6000110.2H87 M103 D109H87-D107 IonicContact CD2-OD2 3.07Å; H87-D107 IonicContact CE1-OD1 2.69Å; H87-D107 IonicContact CE1-OD2 3.58Å; H87-D107 PolarHBondContact CE1-OD2 3.29Å; H87-D107 VanDerWaalsContact CE1-OD2 3.26Å; H87-D107 IonicContact NE2-OD1 3.04Å; H87-D107 IonicContact NE2-OD2 3.69Å; H87-D107 PolarHBondContact NE2-OD2 2.95Å; M103-D107 VanDerWaalsContact O-CG 3.31Å; M103-D107 PolarHBondContact O-N 2.69Å; D107-D109 PolarHBondContact O-N 3.35Å
108G65.3Low86.5Confident80 Ų8067.3 Ų67.383%0.82536%0.364SS*.THydrogen-bonded Turntrans-72.611.8-168.800000116.3S106S106-G108 PolarHBondContact O-N 3.43Å
109D68.2Low86.4Confident91 Ų9165.8 Ų65.849%0.48737%0.366SS..THydrogen-bonded Turntrans-75.4-26.7-176.7-67.9-20.1000112.4D107D107-D109 PolarHBondContact O-N 3.35Å
110T66Low86.1Confident46 Ų4662.1 Ų62.128%0.28235%0.347SS..  trans-151.6125.1177.951.50000112.1R83 Q112R83-T110 PolarHBondContact NH1-OG1 2.98Å; T110-Q112 PolarHBondContact O-N 3.38Å
111D83.5Confident85.6Confident149 Ų14965.8 Ų65.880%0.79737%0.37SS*.G310 helixtrans-68.7-4.5168.559.9-17.7000113.7F113 D114D111-F113 PolarHBondContact O-N 2.66Å; D111-D114 WeakPolarHBondContact O-CB 3.38Å; D111-D114 PolarHBondContact O-N 2.95Å
112Q88.8Confident84.6Confident92 Ų9267.3 Ų67.343%0.4337%0.373SS..G310 helixtrans-46.7-31.8174.4-175.5-175.3-21.800114.7E79 T110 F115E79-Q112 PolarHBondContact OE2-NE2 2.97Å; T110-Q112 PolarHBondContact O-N 3.38Å; Q112-F115 VanDerWaalsContact O-CD1 3.29Å; Q112-F115 WeakPolarHBondContact O-CD1 3.36Å; Q112-F115 WeakPolarHBondContact O-CE1 3.47Å
113F90Very high83.2Confident2 Ų275.8 Ų75.81%0.00941%0.411CS..G310 helixtrans-97.47-178.6-60.6-70.2000114.7F76 E79 L80 V105 D111 F115 L116F76-F113 HydrophobicContact CD2-CE1 4.25Å; F76-F113 AromaticContact CE2-CD1 3.98Å; F76-F113 HydrophobicContact CE2-CD1 3.98Å; F76-F113 AromaticContact CE2-CE1 3.73Å; F76-F113 HydrophobicContact CE2-CE1 3.73Å; E79-F113 HydrophobicContact CG-CZ 4.19Å; L80-F113 HydrophobicContact CD1-CD1 4.42Å; L80-F113 HydrophobicContact CD1-CE1 4.28Å; V105-F113 HydrophobicContact CB-CB 4.47Å; V105-F113 HydrophobicContact CG1-CB 4.15Å; V105-F113 HydrophobicContact CG2-CB 4.37Å; D111-F113 PolarHBondContact O-N 2.66Å; F113-F115 HydrophobicContact CD1-CE1 4.44Å; F113-F115 PolarHBondContact O-N 3.39Å; F113-L116 HydrophobicContact CB-CD1 4.25Å; F113-L116 HydrophobicContact CD1-CD1 4.07Å; F113-L116 VanDerWaalsContact O-CB 3.31Å; F113-L116 WeakPolarHBondContact O-CB 3.18Å; F113-L116 PolarHBondContact O-N 2.91Å
114D89.7Confident81.5Confident80 Ų8080.3 Ų80.343%0.42843%0.431SS..G310 helixtrans-67.8-21.1-174-143.245.9000113.1D111 L116 I117 R122D111-D114 WeakPolarHBondContact O-CB 3.38Å; D111-D114 PolarHBondContact O-N 2.95Å; D114-L116 PolarHBondContact O-N 3.04Å; D114-I117 HydrophobicContact CB-CD1 4.44Å; D114-I117 WeakPolarHBondContact O-CD1 3.26Å; D114-I117 VanDerWaalsContact O-CG1 3.26Å; D114-I117 WeakPolarHBondContact O-CG1 3.44Å; D114-I117 PolarHBondContact O-N 2.91Å; D114-I117 VanDerWaalsContact O-N 3.12Å; D114-I117 VanDerWaalsContact OD1-CD1 3.23Å; D114-I117 WeakPolarHBondContact OD1-CD1 3.18Å; D114-I117 VanDerWaalsContact OD2-CD1 3.28Å; D114-I117 WeakPolarHBondContact OD2-CD1 3.34Å; D114-R122 IonicContact OD1-CZ 2.68Å; D114-R122 IonicContact OD1-NH1 2.84Å; D114-R122 PolarHBondContact OD1-NH1 3.04Å; D114-R122 IonicContact OD1-NH2 3.62Å; D114-R122 PolarHBondContact OD1-NH2 2.95Å
115F92.2Very high79.8Confident131 Ų13184.8 Ų84.858%0.57547%0.468SS*.G310 helixtrans-60.3-10.4169.179.8-85.6000114.4F76 Q112 F113F76-F115 HydrophobicContact CE2-CE1 4.17Å; F76-F115 AromaticContact CE2-CZ 3.62Å; F76-F115 HydrophobicContact CE2-CZ 3.62Å; F76-F115 AromaticContact CZ-CZ 3.77Å; F76-F115 HydrophobicContact CZ-CZ 3.77Å; Q112-F115 VanDerWaalsContact O-CD1 3.29Å; Q112-F115 WeakPolarHBondContact O-CD1 3.36Å; Q112-F115 WeakPolarHBondContact O-CE1 3.47Å; F113-F115 HydrophobicContact CD1-CE1 4.44Å; F113-F115 PolarHBondContact O-N 3.39Å
116L92.5Very high77.3Confident13 Ų1396.4 Ų96.47%0.06851%0.511CS..G310 helixtrans-95.9-1.3177.7-60.6175.4000114.2F76 V105 F113 D114 D118 I119 V120F76-L116 HydrophobicContact CZ-CD1 4.13Å; V105-L116 HydrophobicContact CG1-CB 3.89Å; V105-L116 HydrophobicContact CG1-CD1 4.34Å; V105-L116 HydrophobicContact CG2-CD1 3.71Å; F113-L116 HydrophobicContact CB-CD1 4.25Å; F113-L116 HydrophobicContact CD1-CD1 4.07Å; F113-L116 VanDerWaalsContact O-CB 3.31Å; F113-L116 WeakPolarHBondContact O-CB 3.18Å; F113-L116 PolarHBondContact O-N 2.91Å; D114-L116 PolarHBondContact O-N 3.04Å; L116-D118 VanDerWaalsContact C-N 3.28Å; L116-D118 PolarHBondContact O-N 3.04Å; L116-I119 HydrophobicContact CD2-CD1 4.15Å; L116-I119 PolarHBondContact O-N 3.42Å; L116-V120 HydrophobicContact CB-CG2 4.28Å; L116-V120 PolarHBondContact O-N 3.42Å
117I87.9Confident75.3Confident72 Ų7296.6 Ų96.637%0.36952%0.521SS..THydrogen-bonded Turntrans-48.3-50.4-179.1-71.4161.5000111.6D114 I119 R122D114-I117 HydrophobicContact CB-CD1 4.44Å; D114-I117 WeakPolarHBondContact O-CD1 3.26Å; D114-I117 VanDerWaalsContact O-CG1 3.26Å; D114-I117 WeakPolarHBondContact O-CG1 3.44Å; D114-I117 PolarHBondContact O-N 2.91Å; D114-I117 VanDerWaalsContact O-N 3.12Å; D114-I117 VanDerWaalsContact OD1-CD1 3.23Å; D114-I117 WeakPolarHBondContact OD1-CD1 3.18Å; D114-I117 VanDerWaalsContact OD2-CD1 3.28Å; D114-I117 WeakPolarHBondContact OD2-CD1 3.34Å; I117-I119 PolarHBondContact O-N 3.27Å; I117-R122 VanDerWaalsContact CG1-NH2 3.31Å
118D89.4Confident73.6Confident158 Ų158102.5 Ų102.585%0.84555%0.547SS*.THydrogen-bonded Turntrans-75.3-13.6-174.9-61.5-38.2000113.4L116L116-D118 VanDerWaalsContact C-N 3.28Å; L116-D118 PolarHBondContact O-N 3.04Å
119I91Very high72.5Confident116 Ų116110.2 Ų110.260%0.59555%0.551SS**THydrogen-bonded Turntrans-100.9-35.1-176.2-59.2174.7000111L116 I117 P121L116-I119 HydrophobicContact CD2-CD1 4.15Å; L116-I119 PolarHBondContact O-N 3.42Å; I117-I119 PolarHBondContact O-N 3.27Å; I119-P121 VanDerWaalsContact C-CD 3.46Å; I119-P121 WeakPolarHBondContact O-CD 3.36Å
120V87.1Confident71.3Confident18 Ų18117 Ų11711%0.10957%0.57CS.*SBendtrans-11685.6-178.7-172.90000109.1A102 L116 R122A102-V120 HydrophobicContact CB-CG1 3.74Å; L116-V120 HydrophobicContact CB-CG2 4.28Å; L116-V120 PolarHBondContact O-N 3.42Å; V120-R122 PolarHBondContact O-N 3.12Å
121P81.5Confident70.4Confident77 Ų77120 Ų12050%0.559%0.59SS.*  trans-46110172.5-30.631.8000111.8R98 I119R98-P121 VanDerWaalsContact NH2-CD 3.34Å; I119-P121 VanDerWaalsContact C-CD 3.46Å; I119-P121 WeakPolarHBondContact O-CD 3.36Å
122R73.5Confident68.4Low81 Ų81118.7 Ų118.731%0.30659%0.588SS.*  trans-77.4135.8174-56.5-177.1-179174.76.4107.9V105 S106 D114 I117 V120 E124V105-R122 PolarHBondContact O-NH2 3.05Å; S106-R122 VanDerWaalsContact OG-CD 3.26Å; S106-R122 WeakPolarHBondContact OG-CD 3.38Å; S106-R122 WeakPolarHBondContact OG-CG 3.3Å; D114-R122 IonicContact OD1-CZ 2.68Å; D114-R122 IonicContact OD1-NH1 2.84Å; D114-R122 PolarHBondContact OD1-NH1 3.04Å; D114-R122 IonicContact OD1-NH2 3.62Å; D114-R122 PolarHBondContact OD1-NH2 2.95Å; I117-R122 VanDerWaalsContact CG1-NH2 3.31Å; V120-R122 PolarHBondContact O-N 3.12Å; R122-E124 VanDerWaalsContact C-N 3.34Å; R122-E124 PolarHBondContact O-N 3.39Å
123E63.2Low66.6Low188 Ų188122.5 Ų122.588%0.87961%0.606SS**  trans-74.795.5165.8-176.4143-153.300107.4A125E123-A125 PolarHBondContact O-N 3.33Å
124E53.7Low64.3Low172 Ų172128 Ų12880%0.80464%0.639SS**  trans-54110.1-177.5-72.8-173.8-165.500110.7R122 R126R122-E124 VanDerWaalsContact C-N 3.34Å; R122-E124 PolarHBondContact O-N 3.39Å; E124-R126 VanDerWaalsContact C-N 3.32Å; E124-R126 PolarHBondContact O-N 3.41Å
125A53.8Low62.3Low98 Ų98129.6 Ų129.681%0.8165%0.652SS**  trans-62.294.9171.400000108.7E123 G127E123-A125 PolarHBondContact O-N 3.33Å; A125-G127 PolarHBondContact O-N 3.5Å
126R39.4Very low60.1Low250 Ų250128.8 Ų128.894%0.94366%0.663SS**  trans-35.187.5-167.6-70.8-175.1174-174.1-1.3114.5E124E124-R126 VanDerWaalsContact C-N 3.32Å; E124-R126 PolarHBondContact O-N 3.41Å
127G44.4Very low58Low56 Ų56132.7 Ų132.758%0.57770%0.697SS**  trans-85.4120.6179.500000110.9A125A125-G127 PolarHBondContact O-N 3.5Å
128H44.6Very low56.1Low183 Ų183134.6 Ų134.685%0.84772%0.717SS**  trans53.195.4156.4-56.887.8000117.4
129R42.8Very low53.9Low241 Ų241135.3 Ų135.391%0.90972%0.72SS**  -161.8123.692.4-69.3-145.6-173-171.32.6111.1P131R129-P131 WeakPolarHBondContact O-CD 3.49Å
130R42Very low51.9Low233 Ų233133.4 Ų133.488%0.87972%0.722SS**  trans-74.5119.6160.8-166.6-174-142.3174.87.1107.4T132R130-T132 PolarHBondContact O-N 2.95Å
131P47.2Very low49.8Very low110 Ų110140.7 Ų140.771%0.71476%0.76SS**  trans-72.3104.3174.128-31.9000109R129 Q133R129-P131 WeakPolarHBondContact O-CD 3.49Å; P131-Q133 VanDerWaalsContact C-N 3.33Å; P131-Q133 PolarHBondContact O-N 2.98Å
132T41.8Very low48Very low122 Ų122140.3 Ų140.375%0.74877%0.771SS**  trans-73.684.4175.5-32.70000109.6R130 T134R130-T132 PolarHBondContact O-N 2.95Å; T132-T134 HydrophobicContact CG2-CG2 4.41Å; T132-T134 PolarHBondContact O-N 3.46Å
133Q50.5Low46.6Very low172 Ų172143.8 Ų143.880%0.80480%0.796SS**  trans-81102170.4-76.4-167.623.500110.5P131P131-Q133 VanDerWaalsContact C-N 3.33Å; P131-Q133 PolarHBondContact O-N 2.98Å
134T42.3Very low45.8Very low117 Ų117139.4 Ų139.472%0.71879%0.786SS**  trans-94.391.5169.549.50000111T132T132-T134 HydrophobicContact CG2-CG2 4.41Å; T132-T134 PolarHBondContact O-N 3.46Å
135T47.8Very low45.4Very low113 Ų113137.9 Ų137.969%0.69379%0.788SS**  trans-144.8100.3163.843.40000106.5
136S46.4Very low44.7Very low115 Ų115140.4 Ų140.480%0.80479%0.788SS**  56.1129.473.5-61.40000113.8
137A48.2Very low44.9Very low95 Ų95136.6 Ų136.679%0.78579%0.785SS**  trans79.784.1173.300000118.8
138S47.4Very low45Very low112 Ų112143 Ų14378%0.78380%0.797SS**  12.4123.7126.256.20000119.9
139N43.8Very low44.9Very low172 Ų172138.3 Ų138.392%0.9279%0.785SS**  -157.4160.1119.1-132.5-6.3000113
140A48.6Very low44.6Very low77 Ų77135.1 Ų135.164%0.63678%0.78SS**  trans-111.6175.3-171.700000114.1
141N41.9Very low44.3Very low170 Ų170130.7 Ų130.791%0.90977%0.774SS**  trans73.5144.4177.3-55.5-15000115.8
142G44.2Very low44.2Very low70 Ų70131.5 Ų131.572%0.72278%0.779SS**  cis164146.4-7.600000113.2
143N43.7Very low44Very low154 Ų154129.4 Ų129.482%0.82477%0.77SS**  trans65.3119.9167.8-87.611.5000121.8
144S46.7Very low43.6Very low96 Ų96129.8 Ų129.867%0.67177%0.771SS**  54.1129.3117.8-43.20000119.5
145T46.6Very low43.4Very low139 Ų139135.6 Ų135.685%0.85378%0.78SS**  cis-162.8165.145.738.80000113.9
146N37.6Very low42.9Very low151 Ų151137 Ų13781%0.80778%0.783SS**  trans-51.2143.7166.7-102.8-77.4000114.9
147I45.1Very low42.6Very low171 Ų171139 Ų13988%0.87778%0.784SS**  -154.4154.5125-74.6-148.1000108.7
148K46.3Very low41.9Very low189 Ų189141.8 Ų141.882%0.82278%0.779SS**  trans-105.7165.7-166.6-170.6-177.5-178-174.70112.7
149S42.8Very low41.5Very low86 Ų86143 Ų14360%0.60178%0.776SS**  trans93.4115.6163-96.80000121
150E36.5Very low41Very low173 Ų173140 Ų14081%0.80877%0.765SS**  78.2115.2128.7-70.6165.4117.500123.3
151N35.6Very low40.2Very low141 Ų141144 Ų14475%0.75478%0.775SS**  trans70.6108139-151.121.3000119.5
152P43.9Very low40Very low126 Ų126141.1 Ų141.182%0.81876%0.764SS**  trans-91.9120.3177.834.5-30000112.9
153S37.7Very low39.9Very low79 Ų79144.2 Ų144.255%0.55276%0.764SS**  trans-124.4129.5162.6-630000110.3
154H42.3Very low39.6Very low180 Ų180144.2 Ų144.283%0.83376%0.764SS**  trans67127.3168.6-33.3-68000117.3
155R38.8Very low39.2Very low238 Ų238145.1 Ų145.190%0.89877%0.765SS**  172.6150.784.9-159.2168.1-157.2130.53.9112.4
156N37.6Very low38.8Very low143 Ų143147.2 Ų147.277%0.76577%0.765SS**  trans-77.5159.3-174.5-46.5-20.2000114.2
157N40Very low38.5Very low156 Ų156145.6 Ų145.683%0.83477%0.766SS**  trans154.7154.8138-84.71.2000110.1
158F33.2Very low38.1Very low155 Ų155145.5 Ų145.568%0.6877%0.766SS**  cis-172.9-176-14.7171.7-118.9000106.8T160F158-T160 HydrophobicContact CE2-CG2 4.13Å; F158-T160 HydrophobicContact CZ-CG2 4.01Å
159L39.2Very low37.3Very low137 Ų137142 Ų14272%0.71777%0.765SS**  trans76.893176.2-58.6107.3000116.1
160T32.8Very low36.8Very low110 Ų110145.3 Ų145.368%0.67578%0.775SS**  78.210769.764.40000115.8F158F158-T160 HydrophobicContact CE2-CG2 4.13Å; F158-T160 HydrophobicContact CZ-CG2 4.01Å
161N32.1Very low36.7Very low159 Ų159140.4 Ų140.485%0.8577%0.771SS**  -150.4158.4127.7-156.122.8000110.6
162T37.9Very low36.7Very low111 Ų111142.6 Ų142.668%0.68178%0.777SS**  trans-97.1135-162.953.40000114.2
163N41Very low36.3Very low135 Ų135143.6 Ų143.672%0.72278%0.776SS**  176.8152.8115.7-88.71.3000111.7
164D37.3Very low36.2Very low153 Ų153145.5 Ų145.582%0.81879%0.789SS**  trans67.9148.8165.3-50.7-39.2000118.7
165T39.8Very low35.7Very low115 Ų115141.1 Ų141.171%0.70679%0.792SS**  trans-109.4161.3-147.943.50000114.7
166H36.9Very low35.3Very low183 Ų183137.9 Ų137.985%0.84779%0.787SS**  trans83.177.5169.7-45.8-71.3000117.3
167S32.7Very low35Very low117 Ų117139.5 Ų139.582%0.81879%0.792SS**  trans-114122.5153.863.60000110.3
168L35Very low34.5Very low169 Ų169137.5 Ų137.589%0.88579%0.785SS**  trans-110.7126.5169.2-78.1171.1000109.7
169S30.2Very low34.5Very low116 Ų116136.7 Ų136.781%0.81179%0.793SS**  trans-100126.3173.162.80000111
170L32.9Very low34.1Very low155 Ų155135.7 Ų135.781%0.81280%0.797SS**  trans-129.4140.3157.2-70.888.6000106.2
171G33.5Very low33.9Very low70 Ų70133.7 Ų133.772%0.72280%0.798SS**  cis11386.124.800000107.3N173G171-N173 PolarHBondContact O-N 3.28Å; G171-N173 VanDerWaalsContact O-N 3.17Å
172Q36.6Very low34Very low187 Ų187134.9 Ų134.987%0.87480%0.804SS**SBendtrans-63.4113-173.7-70.3172.8-19.500111.5
173N35Very low33.7Very low147 Ų147134.6 Ų134.679%0.78681%0.806SS**SBend169.4147.5128-87.1-31.9000111.7G171G171-N173 PolarHBondContact O-N 3.28Å; G171-N173 VanDerWaalsContact O-N 3.17Å
174S35.9Very low33.5Very low120 Ų120136 Ų13684%0.83981%0.814SS**  trans51.998.2167.951.30000116.9H176S174-H176 PolarHBondContact O-N 3.07Å
175G31Very low33.2Very low87 Ų87135.7 Ų135.790%0.89781%0.812SS**  trans-76.4117.2-177.300000114.9
176H30.9Very low32.9Very low170 Ų170136.4 Ų136.479%0.78782%0.816SS**  trans-152.3106.1151.9-165.7-75.5000108S174S174-H176 PolarHBondContact O-N 3.07Å
177M31.5Very low32.8Very low177 Ų177134.3 Ų134.387%0.87282%0.817SS**  trans-113.5133.5179.2-73.2-142-6500112.1
178V30.3Very low32.8Very low115 Ų115132.7 Ų132.770%0.69782%0.818SS**  trans-110.2135.6173.8173.70000107.3
179V32.4Very low32.6Very low137 Ų137130.6 Ų130.683%0.8382%0.818SS**  trans-119.1107.6174.8179.90000110.2
180S29.6Very low32.7Very low117 Ų117131 Ų13182%0.81882%0.821SS**  trans-115.3144.5151.5-53.90000105.3
181G30.4Very low32.6Very low67 Ų67130.3 Ų130.369%0.69182%0.823SS**  cis155.2133.46.100000105.6
182L32.7Very low32.5Very low184 Ų184135.8 Ų135.896%0.96383%0.83SS**  trans-121.8125.2-177.2-75.4171.9000111
183S32.5Very low31.9Very low106 Ų106131.9 Ų131.974%0.74182%0.82SS**  trans-76.8161-178.6-47.20000112.6
184N35.5Very low31.6Very low164 Ų164133.4 Ų133.488%0.87782%0.823SS**  -154.9145.4127.9-102-11.3000110.7
185D32Very low31.1Very low147 Ų147133.2 Ų133.279%0.78682%0.817SS**  trans-73.2156.9-170-70.1-68.7000114.9
186V34.4Very low30.8Very low130 Ų130135.4 Ų135.479%0.78881%0.813SS**  -177112.1113.8149.60000111.4
187T33.2Very low30.5Very low139 Ų139133.1 Ų133.185%0.85381%0.811SS**  trans25.2120.6157.557.10000122.1
188G33.7Very low30.1Very low83 Ų83130.7 Ų130.786%0.85681%0.806SS**  trans178.9110.6156.900000112.7
189S29.9Very low29.9Very low125 Ų125129.6 Ų129.687%0.87481%0.808SS**  trans-99.6125.7-165.657.30000115.6
190S33.4Very low29.5Very low125 Ų125131 Ų13187%0.87481%0.81SS**  trans-167.3146137.855.70000112.8
191T31.1Very low29.3Very low140 Ų140129.9 Ų129.986%0.85981%0.808SS**  trans-79.4137.6-17049.30000115.8
192Q29.9Very low29.2Very low185 Ų185132.3 Ų132.386%0.86481%0.814SS**  172.3138.8115-168.4166.912.200110.5
193P25.3Very low28.9Very low104 Ų104128.1 Ų128.168%0.67581%0.807SS**  trans-101.3153-171.837.5-33.7000114.4
194Q27.7Very low28.5Very low180 Ų180127.7 Ų127.784%0.84181%0.809SS**  -173.3129.2125.9-105.1164.286.700116.1
195T25.6Very low28.2Very low115 Ų115127.9 Ų127.971%0.70681%0.809SS**  trans36.8116.4137.9-410000121
196V24.4Very low27.9Very low134 Ų134125.6 Ų125.681%0.81281%0.811SS**  trans-115.7123.8158178.80000108.6V198V196-V198 HydrophobicContact CG1-CG2 4.29Å
197T26.1Very low27.6Very low122 Ų122123.1 Ų123.175%0.74881%0.812SS**  trans-109.7128.4175.6-590000109.3
198V22.9Very low27.3Very low126 Ų126120.8 Ų120.876%0.76481%0.806SS**  trans-120.3129.6173.5-170.10000107.8V196V196-V198 HydrophobicContact CG1-CG2 4.29Å
199A25.5Very low26.9Very low91 Ų91123.3 Ų123.375%0.75281%0.806SS**  trans-136.2126.3179.200000110.9
200L23.1Very low26.7Very low167 Ų167122.2 Ų122.287%0.87480%0.798SS**  trans-85.4142.7162.9-79.874.9000108.9
201A26.8Very low26.5Very low93 Ų93122.7 Ų122.777%0.76980%0.795SS**  171.1116.4126.100000112.9
202S26.9Very low26.3Very low118 Ų118123 Ų12383%0.82579%0.791SS**  trans28.1133.6133.9-50.30000123.6
203A27Very low26.3Very low97 Ų97119.1 Ų119.180%0.80279%0.785SS**  trans78.6114.1135.900000121
204A25.2Very low26.7Very low96 Ų96118 Ų11879%0.79379%0.785SS**  trans33.5121.7139.100000120.2
205L27.6Very low26.9Very low168 Ų168116.9 Ų116.988%0.8878%0.783SS**  -177.4154.188.4-16862.2000110.3
206A26.4Very low27.2Very low99 Ų99116.5 Ų116.582%0.81878%0.782SS**  trans-70.5131.9166.700000110.6
207G27.6Very low27.4Very low79 Ų79115.3 Ų115.381%0.81478%0.778SS**  trans171134.3177.200000112.2
208A26.3Very low27.7Very low89 Ų89118.1 Ų118.174%0.73678%0.783SS**  trans-91.4156.9-171.800000113.7
209T25.6Very low27.9Very low137 Ų137116.9 Ų116.984%0.8478%0.776SS**  trans69.6108.6144.545.70000121.7
210S27Very low28Very low102 Ų102119.9 Ų119.971%0.71378%0.778SS**  110.1157.4109.7-156.80000120.4
211V27.6Very low28.1Very low134 Ų134117.5 Ų117.581%0.81277%0.771SS**  trans71.4139.5170.4-410000117.5
212N27.5Very low28Very low146 Ų146120.8 Ų120.878%0.78177%0.77SS**  cis-152.9162.65.8-160.26.7000113.4
213S31.1Very low28Very low105 Ų105123 Ų12373%0.73477%0.767SS**  trans78.7140170.3-62.20000117
214A32.3Very low27.9Very low80 Ų80125.4 Ų125.466%0.66177%0.767SS**  cis-157.3130-14.100000110
215I31.4Very low27.8Very low157 Ų157128.8 Ų128.881%0.80577%0.766SS**  71.9128101.6-62.9174.7000115.5
216P32.7Very low27.8Very low106 Ų106127.1 Ų127.169%0.68877%0.766SS**  cis-141.8166.5-22.737.1-17.6000116
217C28.9Very low27.8Very low109 Ų109128.1 Ų128.174%0.73676%0.762SS**  155.494.4120.8-88.80000114.4
218Q32.4Very low27.7Very low181 Ų181129 Ų12985%0.84676%0.762SS**  trans32.5152135.1-53.4-166.778.600123.5
219T26.6Very low27.6Very low100 Ų100130.5 Ų130.561%0.61376%0.761SS**  cis-177.7130.9-27.6-66.60000105.1
220L27.4Very low27.5Very low154 Ų154132 Ų13281%0.80676%0.759SS**  161.5109.3127.4-102.6106.8000113.4
221V24.7Very low27.3Very low117 Ų117136.1 Ų136.171%0.70976%0.764SS**  trans26.9122.5133.1-153.50000119
222Q25.8Very low27.3Very low162 Ų162135 Ų13576%0.75776%0.757SS**  165132102.3-167.5136.5-10.400114.4
223Q26.3Very low27.2Very low165 Ų165134.7 Ų134.777%0.77176%0.761SS**  trans73.597.2147.3-161.2162.730.900122.4
224N25.1Very low27Very low148 Ų148137.1 Ų137.179%0.79176%0.764SS**  65.476.2120-159.993.4000121
225Q24.1Very low26.7Very low166 Ų166138.9 Ų138.978%0.77677%0.771SS**  trans-168.6131.9146.5-121.4177.28.400111.3
226P27.5Very low26.6Very low134 Ų134137 Ų13787%0.8777%0.772SS**  trans-89.3101.1161.931.7-26.7000109.7
227T26.3Very low26.4Very low119 Ų119135.6 Ų135.673%0.7378%0.777SS**PPolyproline II helixtrans-68.6146.1176.7-2.10000111.9
228A25.1Very low26.6Very low99 Ų99136 Ų13682%0.81878%0.781SS**PPolyproline II helixtrans-67142.617800000112.6
229V24.5Very low26.2Very low120 Ų120131.1 Ų131.173%0.72778%0.78SS**PPolyproline II helixtrans-88.8123.2175.1-174.80000109.5F231V229-F231 HydrophobicContact CG1-CD2 4.3Å; V229-F231 HydrophobicContact CG1-CE2 3.78Å; V229-F231 HydrophobicContact CG1-CZ 4.3Å
230H23.8Very low26.5Very low169 Ų169134.9 Ų134.978%0.78280%0.795SS**PPolyproline II helixtrans-91.2127.2-177.3-137.2-106.1000110.3
231F23.4Very low26.3Very low187 Ų187131.6 Ų131.682%0.8279%0.79SS**  trans-116.7108.7169.3-78.9-78.8000110.4V229V229-F231 HydrophobicContact CG1-CD2 4.3Å; V229-F231 HydrophobicContact CG1-CE2 3.78Å; V229-F231 HydrophobicContact CG1-CZ 4.3Å
232T27.1Very low26.4Very low111 Ų111134.2 Ų134.268%0.68180%0.798SS**  trans-88118.6176.244.40000110.7
233T24.8Very low26.5Very low139 Ų139131.3 Ų131.385%0.85380%0.802SS**  trans-77.5126.4168.9-60.60000109.6
234I26.2Very low26.4Very low156 Ų156132.3 Ų132.380%0.881%0.807SS**  trans-89.9113178.8-45.4172.5000108.2
235S27.3Very low26.6Very low117 Ų117131 Ų13182%0.81881%0.809SS**  trans-110117.9167.2-173.80000108.7
236S29.6Very low26.8Very low118 Ų118128.4 Ų128.483%0.82581%0.809SS**  trans-93.4113.2179.740.50000110.3
237G27.2Very low27Very low77 Ų77125.9 Ų125.979%0.79480%0.8SS**  trans-171.250.6-172.900000113.4
238S33.4Very low27.1Very low116 Ų116127.3 Ų127.381%0.81180%0.803SS**  trans-133.1100.6178.443.60000111.2
239G25.2Very low27.5Very low80 Ų80128.1 Ų128.183%0.82580%0.803SS**  trans-77.4120.7162.500000109.6
240L31.1Very low27.8Very low179 Ų179126.3 Ų126.394%0.93781%0.808SS**  trans-137.4143.3160-130.892.6000108.8
241A24.9Very low28.2Very low84 Ų84123.7 Ų123.769%0.69481%0.809SS**  trans-96.7177.1-166.800000113.6
242I25.1Very low28.4Very low172 Ų172120.4 Ų120.488%0.88280%0.804SS**  trans81.392.8163.4-44164.1000116
243A28.2Very low28.6Very low101 Ų101121.8 Ų121.884%0.83581%0.812SS**  -161.5154.8125.400000110
244Q25.3Very low28.6Very low187 Ų187123 Ų12387%0.87481%0.811SS**  trans-92.6172.7-164.1-64.5160.8-83.400114.7
245S28.3Very low28.8Very low120 Ų120120.3 Ų120.384%0.83981%0.813SS**  trans92.9142.5160810000117.2
246S27.9Very low28.7Very low112 Ų112119.5 Ų119.578%0.78381%0.813SS**  cis-167.1159.3-22.4-175.50000109.1
247A31.9Very low28.7Very low80 Ų80119.5 Ų119.566%0.66181%0.813SS**  trans72143.7168.300000117.4
248N28.6Very low28.9Very low150 Ų150120.5 Ų120.580%0.80281%0.814SS**  cis-164.7163.7-14.3-112.5-6.6000111.4
249S34.6Very low28.8Very low116 Ų116121 Ų12181%0.81181%0.814SS**  trans83.3106.8152.3-58.50000121.9
250G30.8Very low29Very low81 Ų81125 Ų12584%0.83582%0.817SS**  trans90.8136.2148.100000116.6
251S31.5Very low28.9Very low115 Ų115121 Ų12180%0.80481%0.81SS**  cis-155.7168.4-9.1-164.60000110.1
252T28.4Very low29Very low118 Ų118123 Ų12372%0.72481%0.814SS**  trans-41.1156.5174.253.90000115.4
253V31.3Very low29.1Very low139 Ų139121.3 Ų121.384%0.84281%0.812SS**  cis-156.3172.840-140.40000113.4
254I24.5Very low29.1Very low164 Ų164121.6 Ų121.684%0.84180%0.802SS**  trans-85.2141.7-175.5-62.8156.3000113.5
255A29.9Very low29.1Very low100 Ų100116.8 Ų116.883%0.82680%0.795SS**  trans-173.1153.6137.600000111.7
256A25.4Very low29.2Very low101 Ų101117.3 Ų117.384%0.83579%0.793SS**  trans-122.4145.5-174.500000113
257S29.6Very low29.2Very low117 Ų117118.3 Ų118.382%0.81880%0.795SS**  trans-174.2124.2151.554.40000114.2
258A31.6Very low29Very low98 Ų98119.4 Ų119.481%0.8180%0.804SS**  trans56.2140.4151.300000121.7
259P30.9Very low29Very low127 Ų127116.2 Ų116.283%0.82580%0.798SS**  trans-86.2145.4176.435.8-33.4000112
260N30.3Very low28.7Very low164 Ų164116.9 Ų116.988%0.87780%0.8SS**  trans-133.7143.9165.9-121.57.2000110.4
261A27.7Very low28.4Very low96 Ų96120 Ų12079%0.79380%0.796SS**  trans-43.4127.1-164.600000117
262T27.4Very low28.1Very low125 Ų125122.8 Ų122.877%0.76780%0.797SS**  trans-95.299.2167.4-47.90000110.2V264T262-V264 HydrophobicContact CG2-CG2 3.78Å; T262-V264 PolarHBondContact O-N 3.45Å
263T27.7Very low27.8Very low137 Ų137126.4 Ų126.484%0.8480%0.799SS**  trans-79.298.2168.2-51.90000109.2A265T263-A265 PolarHBondContact O-N 3.26Å
264V27.2Very low27.4Very low106 Ų106125.1 Ų125.164%0.64279%0.791SS**  trans-83.7105.5174.6-177.30000109.3T262 T266T262-V264 HydrophobicContact CG2-CG2 3.78Å; T262-V264 PolarHBondContact O-N 3.45Å; V264-T266 HydrophobicContact CG1-CG2 4.33Å; V264-T266 PolarHBondContact O-N 2.82Å
265A26.4Very low27.5Very low87 Ų87123.9 Ų123.972%0.71979%0.785SS**  trans-77.7102171.200000110.3T263 T267T263-A265 PolarHBondContact O-N 3.26Å; A265-T267 PolarHBondContact O-N 2.97Å
266T29Very low27.3Very low130 Ų130127.4 Ų127.480%0.79878%0.784SS**  trans-82.698.5173.236.80000110.8V264 A268V264-T266 HydrophobicContact CG1-CG2 4.33Å; V264-T266 PolarHBondContact O-N 2.82Å; T266-A268 PolarHBondContact O-N 3.1Å
267T29.2Very low27.4Very low134 Ų134127.8 Ų127.882%0.82277%0.772SS**  trans-71.7106.2171.252.30000110.4A265 A269A265-T267 PolarHBondContact O-N 2.97Å; T267-A269 PolarHBondContact O-N 3.25Å
268A27.7Very low27.5Very low102 Ų102128.2 Ų128.284%0.84377%0.772SS**PPolyproline II helixtrans-74.7116.5174.100000110.8T266T266-A268 PolarHBondContact O-N 3.1Å
269A27.4Very low27.3Very low84 Ų84130.3 Ų130.369%0.69477%0.774SS**PPolyproline II helixtrans-77.3143.717300000110.9T267 L271T267-A269 PolarHBondContact O-N 3.25Å; A269-L271 PolarHBondContact O-N 3.06Å
270P28.8Very low27.4Very low129 Ų129127.8 Ų127.884%0.83877%0.771SS**PPolyproline II helixtrans-69.7123.1177.228.2-33.4000110.8Q272P270-Q272 PolarHBondContact O-N 2.9Å
271L25.1Very low27.3Very low146 Ų146126.3 Ų126.376%0.76477%0.768SS**PPolyproline II helixtrans-73.1124.3172.7-66.1175.6000110A269A269-L271 PolarHBondContact O-N 3.06Å
272Q23.8Very low27.3Very low174 Ų174126.6 Ų126.681%0.81377%0.771SS**PPolyproline II helixtrans-92.8132.2169.3-125.8-151.657.500110P270P270-Q272 PolarHBondContact O-N 2.9Å
273Y23.2Very low27.2Very low195 Ų195124.6 Ų124.677%0.76578%0.775SS**PPolyproline II helixtrans-99121.5171.6-66.7-85.3000109.7
274V23.5Very low27.2Very low111 Ų111122.7 Ų122.767%0.67377%0.773SS**PPolyproline II helixtrans-97.3119.6171.1177.20000108.5
275L25.9Very low27.2Very low139 Ų139123.3 Ų123.373%0.72878%0.782SS**  trans-103.6100.4176-133.376.1000109.5L277L275-L277 PolarHBondContact O-N 3.07Å
276Q24.7Very low27.2Very low173 Ų173124.4 Ų124.481%0.80879%0.791SS**  trans-87.7105.8177.1-166.480.514.800109.5
277L29.1Very low27.2Very low110 Ų110121.3 Ų121.358%0.57679%0.785SS**  trans-86141.7169.8-69.199.8000110.7L275 V279L275-L277 PolarHBondContact O-N 3.07Å; L277-V279 PolarHBondContact O-N 3.38Å
278P30.1Very low27Very low125 Ų125123.3 Ų123.381%0.81279%0.785SS**  trans-73.4124178.128.9-33.2000111.3G280P278-G280 PolarHBondContact O-N 3.24Å
279V29.2Very low27Very low143 Ų143123.6 Ų123.687%0.86778%0.778SS**  trans-78.8100.9170.2179.50000108.6L277L277-V279 PolarHBondContact O-N 3.38Å
280G32.1Very low27.1Very low73 Ų73127.1 Ų127.175%0.75378%0.778SS**  trans-76.2119.3175.700000111.8P278P278-G280 PolarHBondContact O-N 3.24Å
281T27.8Very low27.1Very low134 Ų134129.7 Ų129.782%0.82278%0.779SS**  trans-71.4125.9172.748.50000111.6
282A27.2Very low27.3Very low102 Ų102128.6 Ų128.684%0.84377%0.773SS**SBendtrans49.999.8156.600000118.6
283G26.8Very low27.3Very low83 Ų83128.7 Ų128.786%0.85677%0.773SS**  trans84.679.5138.700000118.4
284A27.2Very low27.4Very low96 Ų96125.5 Ų125.579%0.79377%0.774SS**  trans-154.7130.7149.900000111.6
285S27.6Very low27.5Very low119 Ų119126.1 Ų126.183%0.83277%0.772SS**  trans7.4122.2158.453.40000119.5
286A26.5Very low27.6Very low110 Ų110124.9 Ų124.991%0.90977%0.773SS**SBendtrans-59.6154.4166.600000113.4
287G27.7Very low27.8Very low65 Ų65123.7 Ų123.767%0.6777%0.767SS**  trans109.839.8161.900000117.8
288Q26.2Very low27.7Very low176 Ų176125.1 Ų125.182%0.82277%0.771SS**  trans-126.3120.2167.3-77.1-62.5-62.500112.1
289P28Very low27.6Very low109 Ų109129.1 Ų129.171%0.70878%0.776SS**PPolyproline II helixtrans-76.1122.717530.3-32.4000110.5
290F28.4Very low27.5Very low157 Ų157130.6 Ų130.669%0.68977%0.773SS**PPolyproline II helixtrans-89.1136.4173.461.9-85.2000111I292F290-I292 HydrophobicContact CD2-CG1 4.03Å; F290-I292 HydrophobicContact CE2-CD1 4.01Å; F290-I292 HydrophobicContact CE2-CG1 3.94Å
291Q30.2Very low27.3Very low184 Ų184132 Ų13286%0.8678%0.778SS**PPolyproline II helixtrans-91.9117.1-179.2-63.1-88.3-20.200109.4Q293Q291-Q293 PolarHBondContact O-N 3.32Å
292I27.8Very low27.3Very low122 Ų122129.8 Ų129.863%0.62677%0.773SS**  trans-90.1100.6169.3-53.7179.1000108.6F290 V294F290-I292 HydrophobicContact CD2-CG1 4.03Å; F290-I292 HydrophobicContact CE2-CD1 4.01Å; F290-I292 HydrophobicContact CE2-CG1 3.94Å; I292-V294 HydrophobicContact CG2-CG2 3.93Å; I292-V294 PolarHBondContact O-N 3.33Å
293Q24.6Very low27.4Very low176 Ų176131.8 Ų131.882%0.82277%0.769SS**  trans-86.993.6175.7-170.1157.47.700111Q291 L295Q291-Q293 PolarHBondContact O-N 3.32Å; Q293-L295 PolarHBondContact O-N 3.5Å; Q293-L295 VanDerWaalsContact O-N 3.14Å
294V25.8Very low27.5Very low128 Ų128133.3 Ų133.378%0.77676%0.762SS**  trans-7895.2173.6-172.60000109.2I292I292-V294 HydrophobicContact CG2-CG2 3.93Å; I292-V294 PolarHBondContact O-N 3.33Å
295L25.7Very low27.5Very low124 Ų124136.3 Ų136.365%0.64977%0.765SS**  trans-78.5127.5176.8-170.170.1000110.4Q293 Q297Q293-L295 PolarHBondContact O-N 3.5Å; Q293-L295 VanDerWaalsContact O-N 3.14Å; L295-Q297 PolarHBondContact O-N 2.81Å; L295-Q297 VanDerWaalsContact O-N 3.07Å
296P27.8Very low27.5Very low114 Ų114134.8 Ų134.874%0.7476%0.759SS**  trans-65.6110.1174.7-19.232.1000110.6H298P296-H298 PolarHBondContact O-N 3.32Å; P296-H298 VanDerWaalsContact O-N 3.09Å
297Q28.1Very low27.5Very low147 Ų147136.2 Ų136.269%0.68776%0.756SS**  trans-70.1105.4168.6-78.6-72.5-300108.8L295 F299L295-Q297 PolarHBondContact O-N 2.81Å; L295-Q297 VanDerWaalsContact O-N 3.07Å; Q297-F299 PolarHBondContact O-N 3.3Å
298H28Very low27.5Very low141 Ų141138.6 Ų138.665%0.65376%0.763SS**  trans-38115.2171.656.5-71.6000113.5P296 Q300P296-H298 PolarHBondContact O-N 3.32Å; P296-H298 VanDerWaalsContact O-N 3.09Å; H298-Q300 PolarHBondContact O-N 2.67Å
299F27.1Very low27.4Very low209 Ų209135.4 Ų135.492%0.91777%0.766SS**  trans-83.6112.8164.1-121.8-94.9000108.8Q297 A301Q297-F299 PolarHBondContact O-N 3.3Å; F299-A301 PolarHBondContact O-N 2.94Å; F299-A301 VanDerWaalsContact O-N 3.12Å
300Q26.1Very low27.4Very low174 Ų174133.6 Ų133.681%0.81377%0.768SS**  trans-67.9105.9171.5-81.4-177.1-46.100109.7H298H298-Q300 PolarHBondContact O-N 2.67Å
301A27.8Very low27.3Very low102 Ų102135.8 Ų135.884%0.84378%0.781SS**  trans-79114.2160.700000108.7F299F299-A301 PolarHBondContact O-N 2.94Å; F299-A301 VanDerWaalsContact O-N 3.12Å
302A28.2Very low27.1Very low87 Ų87132.3 Ų132.372%0.71978%0.783SS**  trans-88.6120.717800000111.5
303N29.2Very low27Very low145 Ų145129.8 Ų129.878%0.77579%0.787SS**  trans63.1104.6158.5-53.7-19.6000117.5
304T28.8Very low26.9Very low115 Ų115126.6 Ų126.671%0.70679%0.791SS**  78.7100.586.5-55.10000112.9
305D28.8Very low26.9Very low159 Ų159127.5 Ų127.585%0.8579%0.79SS**  -166.8161.293.6-121.2-44.3000112.3
306A26Very low27Very low86 Ų86129.1 Ų129.171%0.71180%0.798SS**  trans-107142.2-168.300000114.3
307V27.8Very low26.9Very low140 Ų140128.5 Ų128.585%0.84880%0.803SS**  trans-146.8123.4149.4175.50000111.9
308S26.8Very low26.6Very low115 Ų115128.8 Ų128.880%0.80481%0.809SS**  trans26.8138.7151.4-57.70000124.5
309A25.4Very low26.5Very low109 Ų109125.1 Ų125.190%0.90181%0.809SS**  trans-67.6152.8169.200000114.7
310G26.8Very low26.4Very low72 Ų72123.4 Ų123.474%0.74281%0.81SS**  trans-177.5102.3170.400000115.3
311Q27.6Very low26.4Very low203 Ų203121.4 Ų121.495%0.94981%0.81SS**  trans57.8144.4156-73.4-175.8-41.200121.9
312A24.8Very low26.3Very low111 Ų111124.8 Ų124.892%0.91781%0.812SS**  trans-74.3143.8169.600000112
313G25.2Very low26.2Very low68 Ų68126 Ų12670%0.70181%0.813SS**  trans-176.5120.7171.500000110.6I315G313-I315 PolarHBondContact O-N 3.31Å
314A24.2Very low26Very low110 Ų110127.3 Ų127.391%0.90982%0.819SS**  trans-73.4124.6178.800000110.6
315I25Very low25.8Very low147 Ų147127.3 Ų127.375%0.75482%0.819SS**  trans-138.6110.6174.4-64.4-172.4000110G313G313-I315 PolarHBondContact O-N 3.31Å
316L26.7Very low25.6Very low158 Ų158128 Ų12883%0.82782%0.817SS**  trans52123.3144.1-52.4174.3000119.7
317A25.4Very low25.6Very low101 Ų101130 Ų13084%0.83582%0.82SS**  trans-87.3119.6169.100000110.8
318D23.5Very low25.5Very low153 Ų153128.6 Ų128.682%0.81881%0.812SS**  trans-140.7122.3162.2-82.5-44.7000108
319G25Very low25.4Very low64 Ų64128.5 Ų128.566%0.6681%0.811SS**SBendtrans69.6116.8159.900000119.9T321G319-T321 PolarHBondContact O-N 3.06Å
320N25.5Very low25.5Very low173 Ų173130.9 Ų130.993%0.92580%0.804SS**  trans37.669.6145.1-6722.3000118.8
321T26.6Very low25.5Very low132 Ų132133.9 Ų133.981%0.8181%0.81SS**  trans-135.6124.2159.646.80000111.5G319G319-T321 PolarHBondContact O-N 3.06Å
322L25.3Very low25.5Very low172 Ų172128.4 Ų128.490%0.90181%0.808SS**  trans-77128174.5-70169.6000109.6L324L322-L324 PolarHBondContact O-N 2.7Å
323P26.6Very low25.6Very low114 Ų114126.2 Ų126.274%0.7480%0.796SS**  trans-73.7120.4176.828.6-32.9000111.2V325P323-V325 PolarHBondContact O-N 2.8Å
324L23.6Very low25.7Very low172 Ų172130.4 Ų130.490%0.90180%0.801SS**  trans-72.3114.6169.4-177.275.6000109.4L322L322-L324 PolarHBondContact O-N 2.7Å
325V25.6Very low25.9Very low114 Ų114129.7 Ų129.769%0.69180%0.795SS**  trans-102.6115.6176.4-179.50000110.8P323 V327P323-V325 PolarHBondContact O-N 2.8Å; V325-V327 HydrophobicContact CG1-CG2 4.46Å
326Q24.1Very low25.9Very low173 Ų173128 Ų12881%0.80879%0.791SS**  trans-85.2120.3176.1178.5176.6-47.100110.4
327V26.2Very low26Very low128 Ų128125.6 Ų125.678%0.77679%0.785SS**  trans-107.1120176.4-178.50000110V325V325-V327 HydrophobicContact CG1-CG2 4.46Å
328V24.6Very low26Very low112 Ų112128 Ų12868%0.67978%0.782SS**  trans-95.1120.8172.7174.70000108.5
329S26.4Very low26.3Very low113 Ų113127.3 Ų127.379%0.7978%0.777SS**  trans-84.8130.8176.2-1750000111.2
330Q25.9Very low26.3Very low159 Ų159133 Ų13374%0.74379%0.787SS**  trans-122.9145.8161.9-74.3-163.611.100109.6G332Q330-G332 PolarHBondContact O-N 3.42Å
331P27Very low26.4Very low134 Ų134133.1 Ų133.187%0.8778%0.782SS**THydrogen-bonded Turntrans-72.8119.3-177.829.5-33.5000111
332G27.9Very low26.5Very low88 Ų88131.5 Ų131.591%0.90778%0.781SS**THydrogen-bonded Turntrans115.411.3162.800000118.2Q330Q330-G332 PolarHBondContact O-N 3.42Å
333G28.2Very low26.5Very low66 Ų66127.3 Ų127.368%0.6878%0.78SS**  trans-146.7129.1175.600000113.7
334I27.1Very low26.7Very low156 Ų156125.3 Ų125.380%0.878%0.78SS**  trans-83.7117.4173-61.4173.5000108.5V336I334-V336 HydrophobicContact CG2-CG2 4.4Å
335A27.1Very low26.9Very low94 Ų94123.7 Ų123.778%0.77778%0.783SS**  trans-107.6130167.500000109.5
336V26.6Very low27Very low111 Ų111129.2 Ų129.267%0.67379%0.792SS**  trans-98126.1-176.7179.80000109.8I334 I338I334-V336 HydrophobicContact CG2-CG2 4.4Å; V336-I338 PolarHBondContact O-N 3.02Å
337P27.2Very low27.2Very low109 Ų109127.6 Ų127.671%0.70879%0.794SS**  trans-77.2113.7169.630.3-31000110.2
338I26.2Very low27.1Very low151 Ų151129.4 Ų129.477%0.77479%0.794SS**  trans-83.5117.3166.6-59.8174000107.4V336V336-I338 PolarHBondContact O-N 3.02Å
339I28.7Very low27.2Very low138 Ų138132 Ų13271%0.70880%0.802SS**  trans-110.8118.9168.5-59.6175.3000107.3
340Q26.2Very low27.1Very low184 Ų184133 Ų13386%0.8680%0.798SS**  trans-111.4106.2177.9-175172.22.700107.8
341E27.5Very low27.2Very low176 Ų176133.8 Ų133.882%0.82280%0.802SS**  trans-132.1143.6-178.4-107.1-89.490.200109.2
342A27.7Very low27.1Very low97 Ų97132.4 Ų132.480%0.80279%0.787SS**SBendtrans-94.5113-166.500000112.2
343G26.1Very low27.1Very low85 Ų85136.6 Ų136.688%0.87678%0.783SS**SBendtrans91.9108.9168.800000114.5
344G30.3Very low27.1Very low72 Ų72139.3 Ų139.374%0.74278%0.779SS**  trans134.897.1172.300000112.8R346G344-R346 PolarHBondContact O-N 3.49Å; G344-R346 VanDerWaalsContact O-N 3.13Å
345S27.8Very low27.2Very low138 Ų138137 Ų13797%0.96577%0.774SS**  trans-62.5112.8176.5-62.70000111.1
346R27.9Very low27.4Very low229 Ų229142.2 Ų142.286%0.86478%0.782SS**  trans-135.6103.5173.8-155.6175.9-175.6-133.6-1.8110.9G344 Q348G344-R346 PolarHBondContact O-N 3.49Å; G344-R346 VanDerWaalsContact O-N 3.13Å; R346-Q348 PolarHBondContact O-N 3.26Å
347T28Very low27.6Very low140 Ų140141.5 Ų141.586%0.85978%0.782SS**  trans-63121.31772.60000110.5
348Q25Very low27.6Very low165 Ų165142.7 Ų142.777%0.77179%0.787SS**  trans-103.2132.4171-64.3-170.838.800109.7R346 L350R346-Q348 PolarHBondContact O-N 3.26Å; Q348-L350 PolarHBondContact O-N 3.02Å
349I27.3Very low27.7Very low166 Ų166140.5 Ų140.585%0.85179%0.792SS**  trans-85.8108.5175.2-61171.2000107.8Q351I349-Q351 PolarHBondContact O-N 3.07Å
350L24.4Very low27.7Very low134 Ų134137.8 Ų137.870%0.70280%0.798SS**  trans-75.5106.6167.8-102.873.5000109.2Q348 L352Q348-L350 PolarHBondContact O-N 3.02Å; L350-L352 PolarHBondContact O-N 2.95Å
351Q26.5Very low27.8Very low176 Ų176137.4 Ų137.482%0.82280%0.796SS**  trans-8895.8171.8-159.9168.539.500109.4I349 Q353I349-Q351 PolarHBondContact O-N 3.07Å; Q351-Q353 PolarHBondContact O-N 3.37Å
352L25.3Very low27.7Very low106 Ų106140.4 Ų140.456%0.55580%0.8SS**  trans-78.896.7176.3-73.9165000110.2L350 M354 L365L350-L352 PolarHBondContact O-N 2.95Å; L352-M354 PolarHBondContact O-N 3.37Å; L352-L365 HydrophobicContact CD1-CD1 4.13Å
353Q27.9Very low27.6Very low176 Ų176140.5 Ų140.582%0.82279%0.793SS**  trans-69.995.5171.2-172.496.42.600109.6Q351Q351-Q353 PolarHBondContact O-N 3.37Å
354M29.2Very low27.7Very low122 Ų122141.8 Ų141.860%0.60178%0.784SS**  trans-74.1131.1173.8-67.2-66.1-81.300110L352 P363L352-M354 PolarHBondContact O-N 3.37Å; M354-P363 HydrophobicContact CE-CB 3.51Å; M354-P363 HydrophobicContact CE-CG 3.58Å
355P28.8Very low27.5Very low107 Ų107144.3 Ų144.370%0.69578%0.779SS**  trans-68.1140.1174.928.2-33.3000110.5S357P355-S357 PolarHBondContact O-N 3.32Å
356E30.2Very low27.4Very low205 Ų205146.7 Ų146.796%0.95877%0.773SS**  trans-58.3107.9175.1-169.8-178.6126.900109.6
357S30.9Very low27.4Very low95 Ų95142.3 Ų142.366%0.66477%0.766SS**  trans-115.7125.9-176.4-167.80000110.4P355P355-S357 PolarHBondContact O-N 3.32Å
358T27.9Very low27.3Very low134 Ų134144.8 Ų144.882%0.82277%0.768SS**  trans-54.1134.6-179.3-8.40000111.7G360T358-G360 PolarHBondContact O-N 2.93Å
359A27.8Very low27.4Very low106 Ų106145.6 Ų145.688%0.87677%0.771SS**SBendtrans-16.5119.2179.700000117.7
360G28.7Very low27.3Very low80 Ų80142.2 Ų142.283%0.82577%0.768SS**SBendtrans130.5-4.5151.300000118.7T358T358-G360 PolarHBondContact O-N 2.93Å
361Q28.7Very low27.3Very low177 Ų177139.2 Ų139.283%0.82777%0.77SS**  trans-116.9118179.6-73.2-177.4-1800112.6P363Q361-P363 WeakPolarHBondContact O-CD 3.39Å
362R25.2Very low27.3Very low238 Ų238135.3 Ų135.390%0.89877%0.768SS**  trans-73.2123.6171-77.8-174.3170.5-142.9-2.7109.9
363P26.3Very low27.4Very low100 Ų100138.2 Ų138.265%0.64978%0.783SS**  trans-73.3129.2168.630.1-32.4000110.1M354 Q361M354-P363 HydrophobicContact CE-CB 3.51Å; M354-P363 HydrophobicContact CE-CG 3.58Å; Q361-P363 WeakPolarHBondContact O-CD 3.39Å
364T27.6Very low27.3Very low112 Ų112137.6 Ų137.669%0.68778%0.784SS**  trans-109.8122.2176.5-560000109.1F366T364-F366 HydrophobicContact CG2-CD2 4.04Å; T364-F366 HydrophobicContact CG2-CE2 3.75Å
365L27.1Very low27.2Very low125 Ų125135.4 Ų135.465%0.65479%0.793SS**  trans-104.4109.6-177-153.6160.3000109.6L352 L367L352-L365 HydrophobicContact CD1-CD1 4.13Å; L365-L367 HydrophobicContact CD2-CD1 3.52Å; L365-L367 HydrophobicContact CD2-CG 4.41Å
366F25.2Very low27.3Very low187 Ų187136.5 Ų136.582%0.8280%0.798SS**PPolyproline II helixtrans-90.1121.2176.6-84.3-92.9000110.6T364T364-F366 HydrophobicContact CG2-CD2 4.04Å; T364-F366 HydrophobicContact CG2-CE2 3.75Å
367L28Very low27.3Very low138 Ų138135 Ų13572%0.72379%0.791SS**PPolyproline II helixtrans-97.1116.4163.7-78.188.6000109.8L365L365-L367 HydrophobicContact CD2-CD1 3.52Å; L365-L367 HydrophobicContact CD2-CG 4.41Å
368Q25.3Very low27.1Very low192 Ų192138.1 Ų138.190%0.89780%0.797SS**PPolyproline II helixtrans-88.6119.9170.8-174.691.445.700108.9A370Q368-A370 PolarHBondContact O-N 3.29Å
369Q26.6Very low27Very low181 Ų181135.7 Ų135.785%0.84680%0.798SS**  trans-71.6114.4177.8-170.9176.115.200111.1
370A25.1Very low27Very low95 Ų95135.2 Ų135.279%0.78579%0.794SS**  trans-83.6143.2163.200000109.7Q368Q368-A370 PolarHBondContact O-N 3.29Å
371G26.1Very low26.8Very low71 Ų71138.4 Ų138.473%0.73280%0.797SS**  trans-79.6150.5-158.100000117.3
372A25.6Very low26.7Very low95 Ų95137.7 Ų137.779%0.78580%0.797SS**  trans49.890.4145.500000119.2
373L27.6Very low26.6Very low167 Ų167131 Ų13187%0.87479%0.793SS**  trans-157.4164.5130.3-107.3156.7000110
374L26.4Very low26.5Very low162 Ų162131.9 Ų131.985%0.84880%0.801SS**SBendtrans-59.4132.4-160.6-85.460.9000115.1
375G26.5Very low26.4Very low76 Ų76132.3 Ų132.378%0.78480%0.804SS**  trans61.98113900000119.3
376T31.5Very low26.4Very low130 Ų130133.1 Ų133.180%0.79881%0.809SS**  trans-142.4134.6158.8420000111.6
377H29Very low26.6Very low175 Ų175128.1 Ų128.181%0.8181%0.81SS**  trans-68.5127.1172.4-93.9-111.4000110.3
378M26.5Very low26.5Very low160 Ų160130 Ų13079%0.78882%0.815SS**  trans-116.294.9170-81.3-76.5-7500109.2
379G26.9Very low26.5Very low82 Ų82126.8 Ų126.885%0.84581%0.813SS**  trans-88125.4169.700000110.6
380A26.5Very low26.5Very low97 Ų97126.3 Ų126.380%0.80281%0.811SS**  trans-107.513017300000109.9
381V25Very low26.6Very low146 Ų146129.9 Ų129.989%0.88581%0.811SS**  trans-112.7122.9172.9179.60000108.3
382I26Very low26.5Very low163 Ų163131.6 Ų131.684%0.83680%0.803SS**  trans-102.2116.3173.4-57.2175.9000107
383A23Very low26.5Very low97 Ų97133 Ų13380%0.80279%0.794SS**  trans-74.5138.2173.200000110.5
384S25.7Very low26.4Very low118 Ų118134.1 Ų134.183%0.82579%0.788SS**  trans-116.4146.5162.7-169.20000110.4
385V25.7Very low26.4Very low122 Ų122131.7 Ų131.774%0.73979%0.785SS**  trans-78.4169.7174-174.10000109
386D26.3Very low26.3Very low142 Ų142134.1 Ų134.176%0.75978%0.779SS**SBendtrans94.366.4174.4-52.3-33.4000117.9H388D386-H388 VanDerWaalsContact C-N 3.29Å; D386-H388 PolarHBondContact O-N 3.33Å
387G28.5Very low26.2Very low82 Ų82135.7 Ų135.785%0.84578%0.777SS**SBendtrans74.2-20.7137.900000120.1
388H25.8Very low26.1Very low178 Ų178131.2 Ų131.282%0.82477%0.771SS**  trans-130.5108.2-178.2-66.684.8000110.9D386 Q390D386-H388 VanDerWaalsContact C-N 3.29Å; D386-H388 PolarHBondContact O-N 3.33Å; H388-Q390 PolarHBondContact O-N 3.07Å
389S27.1Very low26.2Very low123 Ų123131.3 Ų131.386%0.8677%0.769SS**  trans-85.297.1173.1-74.30000111.1
390Q25Very low26.2Very low171 Ų171132.9 Ų132.980%0.79977%0.765SS**  trans-100.1118.5153.7-68.6-169.322.700108.6H388H388-Q390 PolarHBondContact O-N 3.07Å
391Q26.9Very low26.3Very low171 Ų171135.7 Ų135.780%0.79977%0.766SS**  trans-93.6100.4173.7-67.4-172.113.100109.5
392I24.5Very low26.4Very low107 Ų107135.4 Ų135.455%0.54976%0.764SS.*  trans-90.2112.8166-57.4178.2000107.8Y394I392-Y394 HydrophobicContact CB-CE2 4.34Å; I392-Y394 HydrophobicContact CG2-CD2 4.26Å; I392-Y394 HydrophobicContact CG2-CE1 4.18Å; I392-Y394 HydrophobicContact CG2-CE2 3.65Å
393M26Very low26.5Very low123 Ų123132.3 Ų132.361%0.60676%0.756SS**  trans-102.293.9-172.6-168.4-169.7-53.800111K30K30-M393 WeakPolarHBondContact CE-SD 3.46Å; K30-M393 PolarHBondContact NZ-SD 3.23Å
394Y25.4Very low26.6Very low191 Ų191132.8 Ų132.875%0.74975%0.754SS**  trans-75.5125.7173.3-60.4-80.2000111.2I392I392-Y394 HydrophobicContact CB-CE2 4.34Å; I392-Y394 HydrophobicContact CG2-CD2 4.26Å; I392-Y394 HydrophobicContact CG2-CE1 4.18Å; I392-Y394 HydrophobicContact CG2-CE2 3.65Å
395S25.6Very low26.7Very low111 Ų111134.5 Ų134.578%0.77675%0.754SS**  trans-92.2136.6163.657.20000109.8
396L26Very low26.7Very low128 Ų128134.1 Ų134.167%0.6776%0.757SS**  trans-114.194.5175.9-91.1154.2000108.7A398 L414L396-A398 PolarHBondContact O-N 3.32Å; L396-L414 HydrophobicContact CD2-CD2 3.78Å
397Q28.4Very low26.7Very low162 Ų162132.8 Ų132.876%0.75776%0.759SS**  trans-82.195.9-179.8-168.378.4-12.100110.4Q399Q397-Q399 PolarHBondContact O-N 3.45Å
398A27.7Very low26.5Very low81 Ų81134.8 Ų134.867%0.66976%0.759SS**  trans-82.9101.2174.900000111L396L396-A398 PolarHBondContact O-N 3.32Å
399Q27.9Very low26.3Very low162 Ų162136 Ų13676%0.75776%0.757SS**  trans-80.6130.9173.2-66.9-162.812.300111.9Q397 L401Q397-Q399 PolarHBondContact O-N 3.45Å; Q399-L401 PolarHBondContact O-N 2.9Å
400P27.5Very low26.2Very low116 Ų116135.1 Ų135.175%0.75376%0.757SS**  trans-77.1103174.930.3-32.7000110.7V402P400-V402 PolarHBondContact O-N 3.16Å; P400-V402 VanDerWaalsContact O-N 3.07Å
401L27.9Very low26Very low156 Ų156134.5 Ų134.582%0.81775%0.754SS**  trans-71.8101.5172.2-140.892000110Q399 S403Q399-L401 PolarHBondContact O-N 2.9Å; L401-S403 PolarHBondContact O-N 2.9Å; L401-S403 VanDerWaalsContact O-N 3.07Å
402V27.1Very low25.9Very low140 Ų140131.8 Ų131.885%0.84875%0.749SS**  trans-72.999.7172.9-177.30000108.7P400P400-V402 PolarHBondContact O-N 3.16Å; P400-V402 VanDerWaalsContact O-N 3.07Å
403S27.9Very low25.9Very low97 Ų97134.3 Ų134.368%0.67876%0.763SS**  trans-123109.2172.3-89.10000111L401 N405L401-S403 PolarHBondContact O-N 2.9Å; L401-S403 VanDerWaalsContact O-N 3.07Å; S403-N405 PolarHBondContact O-N 2.95Å; S403-N405 VanDerWaalsContact O-N 3.16Å
404S26.7Very low25.8Very low107 Ų107134.2 Ų134.275%0.74876%0.764SS**  trans-67.1103.4170.353.10000110.8
405N26.6Very low25.7Very low154 Ų154130 Ų13082%0.82476%0.763SS**  trans-177.8159.2130.7-93.7-34.6000112.1S403S403-N405 PolarHBondContact O-N 2.95Å; S403-N405 VanDerWaalsContact O-N 3.16Å
406S26.4Very low25.7Very low115 Ų115132.5 Ų132.580%0.80477%0.766SS**SBendtrans-56.3144.6178.755.30000113.7
407S25.3Very low25.7Very low114 Ų114133.7 Ų133.780%0.79777%0.774SS**SBendtrans108.6100.9170.3-1600000115R409S407-R409 PolarHBondContact O-N 2.78Å
408S24.7Very low25.5Very low123 Ų123134.6 Ų134.686%0.8678%0.778SS**  trans-10.3106.6159.7-53.40000117.9
409R22.1Very low25.5Very low204 Ų204135.3 Ų135.377%0.7778%0.783SS**  trans175.299136.5176.5169.3171.7179.6-5110.1S407 Q411S407-R409 PolarHBondContact O-N 2.78Å; R409-Q411 HydrophobicContact CG-CG 4.13Å; R409-Q411 PolarHBondContact O-N 3.27Å
410A23.8Very low25.4Very low105 Ų105132.9 Ų132.987%0.86879%0.785SS**  trans-66.3122.4167.200000109.1
411Q22.4Very low25.3Very low157 Ų157136.6 Ų136.673%0.73479%0.792SS**  trans-104.4128.2170.6-58.2-17328.800107.5R409R409-Q411 HydrophobicContact CG-CG 4.13Å; R409-Q411 PolarHBondContact O-N 3.27Å
412V23.7Very low25.2Very low115 Ų115135 Ų13570%0.69779%0.792SS**  trans-101.1118.3171.3179.80000107L414V412-L414 HydrophobicContact CG1-CD2 4.31Å
413L25.1Very low25.1Very low159 Ų159136 Ų13683%0.83279%0.791SS**  trans-85.3120.3169.6-159.181.6000107.7
414L24Very low24.9Very low122 Ų122136.5 Ų136.564%0.63979%0.794SS**  trans-92.197.9173.7-66.6170000108.2L396 V412L396-L414 HydrophobicContact CD2-CD2 3.78Å; V412-L414 HydrophobicContact CG1-CD2 4.31Å
415S23.4Very low24.9Very low103 Ų103136.8 Ų136.872%0.7280%0.797SS**  trans-81.3123.7161.5-68.60000108.5
416L25.9Very low25Very low162 Ų162137.2 Ų137.285%0.84880%0.797SS**  trans-78.8124.3159.2-75.476.3000106.4
417D24.8Very low25Very low154 Ų154136.4 Ų136.482%0.82480%0.798SS**  trans-108.1114.7170.5-16245.4000107.4A419D417-A419 VanDerWaalsContact C-N 3.31Å; D417-A419 PolarHBondContact O-N 3.45Å
418E25.4Very low25.1Very low181 Ų181138.3 Ų138.385%0.84680%0.799SS**  trans-79.478.1179.5-78-174102.300110.6S420E418-S420 PolarHBondContact O-N 3.5Å; E418-S420 PolarHBondContact O-OG 3.06Å
419A27.7Very low25.3Very low95 Ų95137 Ų13779%0.78579%0.79SS**  trans-65.5106.9162.300000108.4D417D417-A419 VanDerWaalsContact C-N 3.31Å; D417-A419 PolarHBondContact O-N 3.45Å
420S25.7Very low25.5Very low112 Ų112134.8 Ų134.878%0.78379%0.793SS**  trans-77.7127.2-160.5-46.50000113.4E418E418-S420 PolarHBondContact O-N 3.5Å; E418-S420 PolarHBondContact O-OG 3.06Å
421E24.9Very low25.6Very low193 Ų193135.3 Ų135.390%0.90279%0.789SS**  trans-165.688.8142.5-113.3178.2-169.800110
422C25.3Very low25.8Very low123 Ų123135.5 Ų135.583%0.83179%0.794SS**  trans-126121168.4-79.10000110.4
423I26.2Very low25.8Very low162 Ų162136.4 Ų136.483%0.83180%0.799SS**  trans-65.2146.8-179.6-68.6164.7000110.1
424S23.7Very low26Very low106 Ų106134.3 Ų134.374%0.74180%0.798SS**SBendtrans-17.3150175.357.60000120.1
425S25.1Very low25.9Very low114 Ų114136.8 Ų136.880%0.79781%0.812SS**  trans84.179.8161.4-176.50000117.6
426I28.6Very low26.2Very low163 Ų163137.4 Ų137.484%0.83682%0.816SS**  -133.8115.1127.1-94.3153.5000106.9D428I426-D428 HydrophobicContact CG2-CB 4.41Å
427A26.7Very low26.1Very low98 Ų98134.7 Ų134.781%0.8181%0.811SS**  trans-95.397.316900000107.7
428D28.7Very low26.4Very low153 Ų153135 Ų13582%0.81881%0.811SS**  trans-140.6145164-112.3-38.1000110.9I426I426-D428 HydrophobicContact CG2-CB 4.41Å
429S27.5Very low26.4Very low96 Ų96133.7 Ų133.767%0.67180%0.804SS**  trans-96.5149.4-159.4-59.10000113.3
430N27Very low26.3Very low158 Ų158135.2 Ų135.285%0.84580%0.804SS**  trans85.699.6168.8-44.5-66.7000118
431C25.8Very low26.3Very low116 Ų116133.7 Ų133.778%0.78481%0.806SS**  -167.2119.996.961.40000110
432I27.1Very low26.4Very low161 Ų161129.7 Ų129.783%0.82681%0.806SS**  64.1101.497-58.8172.2000113.9
433T23.3Very low26.4Very low133 Ų133128.1 Ų128.182%0.81680%0.802SS**  trans-56.3148167.752.30000114.7
434S29.1Very low26.4Very low116 Ų116129.4 Ų129.481%0.81180%0.804SS**  trans-151.9108.9145.946.50000113.3
435N22.7Very low26.6Very low173 Ų173132 Ų13293%0.92581%0.809SS**  trans-66.1136.6160.1-78.5-32.4000109.5
436S29.3Very low26.8Very low116 Ų116134.2 Ų134.281%0.81181%0.811SS**  trans-146.5137155.766.90000111.6
437S23.9Very low26.6Very low106 Ų106133.4 Ų133.474%0.74181%0.809SS**  trans-110.4126.9-176.6168.80000109.6
438I30.5Very low26.7Very low161 Ų161137.3 Ų137.383%0.82681%0.81SS**  trans-144.391164.3-52.2-178.8000107.1
439H26.6Very low26.6Very low152 Ų152135.1 Ų135.170%0.70481%0.813SS**  64.9106.686.5-119-76.5000116.7
440T25.4Very low26.5Very low128 Ų128135 Ų13579%0.78582%0.818SS**  trans47.9124145.444.10000121.8
441G25.2Very low26.8Very low80 Ų80133 Ų13383%0.82582%0.817SS**  trans146.393132.500000118.1
442A27Very low27Very low109 Ų109136.3 Ų136.390%0.90182%0.821SS**  trans-177.1112.8138.900000110.2
443A25Very low27.3Very low89 Ų89137 Ų13774%0.73683%0.825SS**  trans-118.7163.9164.500000108.7
444Q26.3Very low27.4Very low189 Ų189137.5 Ų137.588%0.88382%0.823SS**  trans79.1152175.5-51.6177.5-91.400116.5
445L27.9Very low27.4Very low160 Ų160140 Ų14084%0.83883%0.825SS**  trans79.6114.9-167.1-52.6-179.6000113.3
446L29Very low27.5Very low161 Ų161136.4 Ų136.484%0.84382%0.819SS**  cis-143.2152.3-0.4-93.4162.2000111.1
447D24.7Very low27.4Very low147 Ų147136.1 Ų136.179%0.78682%0.817SS**  trans-66-177.9162.2-164.22.4000110.6
448E28.6Very low27.4Very low179 Ų179135.9 Ų135.984%0.83682%0.816SS**  trans93.161.9170.2-148.7115.1153.400118.2
449A27.8Very low27.3Very low107 Ų107134.3 Ų134.388%0.88481%0.813SS**  trans-156.646.6156.500000113.6
450A25Very low27.1Very low93 Ų93131.4 Ų131.477%0.76982%0.815SS**  trans-13387179.100000112.3
451S32.3Very low27.2Very low117 Ų117131.6 Ų131.682%0.81882%0.816SS**  trans-163.9155.8161.1-85.10000110.3
452E30.6Very low27.2Very low186 Ų186132.7 Ų132.787%0.86981%0.809SS**SBendtrans69.371.9-179.6-52.6-157.1140.600117
453L32.6Very low27.4Very low174 Ų174136.3 Ų136.391%0.91181%0.807SS**  -170.6101.2111.1-101147.2000110.8
454D25.7Very low27.3Very low145 Ų145137.8 Ų137.878%0.77581%0.811SS**  trans-79.6130.5174177.630.8000110.5
455I29.6Very low27.5Very low169 Ų169135.2 Ų135.287%0.86781%0.808SS**  trans-170.8123.4150.2-93.6145.2000107.3
456A23.8Very low27.4Very low96 Ų96132.6 Ų132.679%0.79380%0.804SS**  trans-117138.9-176.400000113.4
457S27.9Very low27.2Very low110 Ų110131.2 Ų131.277%0.76980%0.802SS**  trans-165.3110149.3-175.10000107.2
458S24.5Very low27.5Very low102 Ų102133.5 Ų133.571%0.71381%0.808SS**  50.5118.186-159.20000111.7
459V27.9Very low27.3Very low127 Ų127132.3 Ų132.377%0.7781%0.806SS**  -144.5148.658.1162.40000112.9V461V459-V461 HydrophobicContact CG1-CG2 4.23Å
460A23.2Very low27.5Very low91 Ų91135.7 Ų135.775%0.75281%0.808SS**  trans-118.7147.5168.200000111.6
461V26.4Very low27.8Very low133 Ų133134.8 Ų134.881%0.80681%0.807SS**  trans-141.8116170.3-178.80000110.2V459V459-V461 HydrophobicContact CG1-CG2 4.23Å
462P26.4Very low27.4Very low102 Ų102140.9 Ų140.966%0.66281%0.812SS**  trans-133.3126.8176.636.7-20.7000115.5
463H29.8Very low27.5Very low186 Ų186140.9 Ų140.986%0.86181%0.81SS**  trans-155.9115.7159.3-67.7-65.3000107.4
464S23.6Very low27.4Very low119 Ų119139.1 Ų139.183%0.83280%0.801SS**  82151.557.1-161.50000114.5
465V29.8Very low27.5Very low135 Ų135143.3 Ų143.382%0.81881%0.808SS**  trans98.6127.5-172.1178.10000114.1
466S26.4Very low27.5Very low106 Ų106141 Ų14174%0.74180%0.802SS**  cis-161.8149.1-20.3-94.50000108.9
467T24.9Very low27.9Very low131 Ų131142.7 Ų142.780%0.80480%0.804SS**  trans-107.9128174.6-44.80000110.3
468E29.8Very low28Very low195 Ų195146.1 Ų146.191%0.91181%0.808SS**  trans-119.3141.9164.7-70.7-157.6158.800111.6
469I26.1Very low28.1Very low154 Ų154146.3 Ų146.379%0.7981%0.809SS**  trans-114.7127.2-169.3-64.6167.4000108.6
470L32.1Very low28.3Very low179 Ų179146.2 Ų146.294%0.93781%0.809SS**  trans-157.3134.3158.5-14670.3000114.9
471G30.2Very low28.5Very low73 Ų73150.8 Ų150.875%0.75382%0.815SS**  trans99.880.5146.600000119
472R24.9Very low28.8Very low245 Ų245151.6 Ų151.693%0.92581%0.814SS**  trans-68.6139.9157.4-80.8-179.1170.1176.5-3.8111.2
473K32.6Very low28.9Very low187 Ų187154.3 Ų154.381%0.81382%0.823SS**  trans-165.8108.4139.7-113.9170.8-178.7179.40113.7
474D29.4Very low28.9Very low136 Ų136154.1 Ų154.173%0.72782%0.822SS**  trans36.1105.1137.4-40.8-32.4000120.2
475Y27.7Very low29.1Very low234 Ų234156.7 Ų156.792%0.91882%0.818SS**  trans-157.6141.9132.5-135.8-99.4000112.4
476T30.8Very low28.9Very low120 Ų120155.3 Ų155.374%0.73681%0.814SS**  trans-91.2158.4-179.339.90000112.5
477P31.1Very low28.9Very low131 Ų131156.1 Ų156.185%0.85181%0.809SS**  trans-84.7155.3-156.333.7-37000114.4
478H30.8Very low29.2Very low183 Ų183156.6 Ų156.685%0.84781%0.805SS**  trans-120.8133.6161.5-160.2-72.3000109.3
479S26.8Very low29.1Very low105 Ų105154.1 Ų154.173%0.73480%0.798SS**  trans-70.1133.4-177.1-48.50000112.2
480T31.9Very low29.3Very low126 Ų126151.7 Ų151.777%0.77380%0.795SS**  trans-153.892.7150.243.70000109L482T480-L482 PolarHBondContact O-N 2.95Å
481E27.2Very low29.1Very low187 Ų187146 Ų14687%0.87478%0.779SS**  trans17.3101.7130.2-164.6174.8123.300116.9
482L32.1Very low29.1Very low150 Ų150147.8 Ų147.879%0.78578%0.78SS**  trans-142.6109.9155.7-79.4-179.8000108.8T480 H484T480-L482 PolarHBondContact O-N 2.95Å; L482-H484 PolarHBondContact O-N 3.27Å; L482-H484 VanDerWaalsContact O-N 3.09Å
483D29.3Very low29.2Very low158 Ų158140.5 Ų140.585%0.84576%0.763SS**  trans-66.5100.3178.5-107.1-47.7000111.3K485D483-K485 VanDerWaalsContact C-N 3.32Å; D483-K485 PolarHBondContact O-N 3.15Å
484H29Very low28.9Very low182 Ų182138.4 Ų138.484%0.84376%0.758SS**  trans-85.974.5166-82.6-68.4000110.5L482 S486L482-H484 PolarHBondContact O-N 3.27Å; L482-H484 VanDerWaalsContact O-N 3.09Å; H484-S486 PolarHBondContact O-N 3.46Å
485K27.8Very low29Very low174 Ų174137.4 Ų137.476%0.75775%0.751SS**  trans-82.6101.9169.8-160.4174.8-172.3-177.10109.6D483 I487D483-K485 VanDerWaalsContact C-N 3.32Å; D483-K485 PolarHBondContact O-N 3.15Å; K485-I487 PolarHBondContact O-N 3.16Å; K485-I487 VanDerWaalsContact O-N 3.08Å
486S26.3Very low29.1Very low105 Ų105132 Ų13273%0.73474%0.743SS**  trans-66.8105171.9-168.30000109.5H484 I488H484-S486 PolarHBondContact O-N 3.46Å; S486-I488 PolarHBondContact O-N 2.97Å
487I27.1Very low28.9Very low123 Ų123133.6 Ų133.663%0.63175%0.747SS**  trans-87.794.2175.3-62.4175.7000107.7K485 N489K485-I487 PolarHBondContact O-N 3.16Å; K485-I487 VanDerWaalsContact O-N 3.08Å; I487-N489 VanDerWaalsContact CG2-OD1 3.29Å; I487-N489 WeakPolarHBondContact CG2-OD1 3.29Å; I487-N489 PolarHBondContact O-N 3.22Å
488I31.1Very low28.9Very low141 Ų141134 Ų13472%0.72374%0.742SS**  trans-79.295.3168.5-8.5177.2000107.4S486 S490S486-I488 PolarHBondContact O-N 2.97Å; I488-S490 PolarHBondContact O-N 3.07Å
489N27.7Very low29.1Very low143 Ų143131 Ų13177%0.76573%0.731SS**  trans-76.988.3178.8-93.8-10.6000110.7I487 G491I487-N489 VanDerWaalsContact CG2-OD1 3.29Å; I487-N489 WeakPolarHBondContact CG2-OD1 3.29Å; I487-N489 PolarHBondContact O-N 3.22Å; N489-G491 VanDerWaalsContact C-N 3.28Å; N489-G491 PolarHBondContact O-N 3.29Å
490S29.2Very low29.4Very low104 Ų104132.3 Ų132.373%0.72774%0.735SS**  trans-73.278.3170.9-59.20000111.2I488 S492I488-S490 PolarHBondContact O-N 3.07Å; S490-S492 PolarHBondContact O-N 2.84Å
491G29Very low29.3Very low59 Ų59130.4 Ų130.461%0.60873%0.726SS**  trans-77.9100.8177.300000112.7N489 V493N489-G491 VanDerWaalsContact C-N 3.28Å; N489-G491 PolarHBondContact O-N 3.29Å; G491-V493 PolarHBondContact O-N 3.26Å
492S28.7Very low29.6Very low110 Ų110125.9 Ų125.977%0.76971%0.708SS**  trans-68.9114.4171.7-66.10000111.4S490 M494S490-S492 PolarHBondContact O-N 2.84Å; S492-M494 PolarHBondContact O-N 2.82Å
493V28.6Very low29.8Very low93 Ų93123.9 Ų123.956%0.56470%0.702SS**  trans-82.4110.2172.4179.50000109.2G491 I495 I510G491-V493 PolarHBondContact O-N 3.26Å; V493-I495 HydrophobicContact CG1-CG1 4.14Å; V493-I495 PolarHBondContact O-N 3.38Å; V493-I510 HydrophobicContact CG1-CG2 3.97Å
494M26.1Very low29.8Very low142 Ų142126.3 Ų126.370%0.771%0.708SS**  trans-76.2116.7167.6-73.5-164.9-65.700110S492 V513S492-M494 PolarHBondContact O-N 2.82Å; M494-V513 HydrophobicContact CE-CG2 4.13Å
495I30.4Very low30Very low115 Ų115121.5 Ų121.559%0.5971%0.708SS**  trans-100.9110.1166.7-56.5178000106.7V493 L499V493-I495 HydrophobicContact CG1-CG1 4.14Å; V493-I495 PolarHBondContact O-N 3.38Å; I495-L499 HydrophobicContact CG2-CD1 3.62Å
496T29.4Very low30.2Very low122 Ų122119.2 Ų119.275%0.74870%0.7SS**  trans-78.1139.4177.951.20000111.3D498T496-D498 PolarHBondContact O-N 3.33Å
497D28.3Very low30.4Very low152 Ų152118.5 Ų118.581%0.81370%0.7SS**SBendtrans-58.9100.7-178.2-69.7-75.8000114.3
498D30.9Very low30.5Very low140 Ų140116.6 Ų116.675%0.74969%0.694SS**  trans-165.330.1149-112-25.7000114.6T496 V500T496-D498 PolarHBondContact O-N 3.33Å; D498-V500 PolarHBondContact O-N 3.18Å
499L33.6Very low30.3Very low119 Ų119117.6 Ų117.662%0.62370%0.696SS**THydrogen-bonded Turntrans-7011.2-170.8-110.694000116.9I495I495-L499 HydrophobicContact CG2-CD1 3.62Å
500V33.7Very low30.5Very low133 Ų133114 Ų11481%0.80668%0.676SS**THydrogen-bonded Turntrans-98.81.9-168.3-1740000113.6D498D498-V500 PolarHBondContact O-N 3.18Å
501S30.5Very low30.4Very low86 Ų86115.6 Ų115.660%0.60167%0.671SS**  trans-134.27.8-173.168.70000117.5T503S501-T503 PolarHBondContact O-N 3.08Å
502L33.6Very low30.4Very low92 Ų92117.5 Ų117.548%0.48267%0.671SS.*  trans-63.8109.5-178.6-68.2172.8000112Q506 V508L502-Q506 HydrophobicContact CD2-CB 3.98Å; L502-V508 HydrophobicContact CD1-CG2 4.07Å
503T35.6Very low30.4Very low108 Ų108116.7 Ų116.766%0.66366%0.661SS**  trans-88.9164.6169.554.30000111S501 G505S501-T503 PolarHBondContact O-N 3.08Å; T503-G505 PolarHBondContact O-N 3.33Å
504E29.7Very low30.3Very low210 Ų210119.4 Ų119.498%0.98167%0.668SS**THydrogen-bonded Turntrans-60109-173.4-168170.7-150.600111.9
505G32.6Very low30.5Very low80 Ų80117.8 Ų117.883%0.82567%0.671SS**THydrogen-bonded Turntrans130.6-6.117400000117.2T503T503-G505 PolarHBondContact O-N 3.33Å
506Q31.6Very low30.4Very low127 Ų127118 Ų11859%0.59367%0.673SS**PPolyproline II helixtrans-88.2133176.7-68.2-174.1-79.400112.8L502L502-Q506 HydrophobicContact CD2-CB 3.98Å
507A29.9Very low30.5Very low90 Ų90119.4 Ų119.474%0.74468%0.676SS**PPolyproline II helixtrans-93.2143.2169.800000110.4
508V29.9Very low30.5Very low83 Ų83123.3 Ų123.350%0.50368%0.679SS.*PPolyproline II helixtrans-100.3125.4175.5-179.60000109L502L502-V508 HydrophobicContact CD1-CG2 4.07Å
509E28.3Very low30.6Very low162 Ų162124.8 Ų124.876%0.75768%0.682SS**  trans-90.7113.9176.6-172.4165.3-161.600109.8
510I30.1Very low30.3Very low67 Ų67125.2 Ų125.234%0.34469%0.693SS.*  trans-93.1107.9-179-58.7172.5000108.5W85 V493 T512W85-I510 HydrophobicContact CZ3-CD1 4.44Å; V493-I510 HydrophobicContact CG1-CG2 3.97Å; I510-T512 PolarHBondContact O-N 2.92Å
511H28.7Very low30.1Very low138 Ų138126.2 Ų126.264%0.63969%0.693SS**  trans-81.2107.6172.2-78.7-91.3000110.9V513H511-V513 PolarHBondContact O-N 3.22Å
512T28.5Very low30.2Very low98 Ų98131.4 Ų131.460%0.60171%0.708SS**  trans-74.3118.5165.1-30.10000108.9I510I510-T512 PolarHBondContact O-N 2.92Å
513V28Very low30.2Very low93 Ų93132 Ų13256%0.56472%0.72SS**  trans-91.2101.5173.1-178.50000108.5M494 H511 S515M494-V513 HydrophobicContact CE-CG2 4.13Å; H511-V513 PolarHBondContact O-N 3.22Å; V513-S515 PolarHBondContact O-N 2.86Å
514E26.4Very low30Very low150 Ų150130.3 Ų130.370%0.70172%0.724SS**  trans-74.1107.9166.3-74.4-170.6138.800109.8N516E514-N516 PolarHBondContact O-N 3.19Å; E514-N516 PolarHBondContact OE2-ND2 3.09Å
515S30.8Very low30.4Very low108 Ų108126.7 Ų126.776%0.75572%0.715SS**  trans-74.566.6172.5-63.60000111.8V513 N517V513-S515 PolarHBondContact O-N 2.86Å; S515-N517 PolarHBondContact O-N 3.49Å
516N28.8Very low30.4Very low120 Ų120129.4 Ų129.464%0.64271%0.711SS**  trans-76.461.7176.7-81.6-44000112.4E514 R518E514-N516 PolarHBondContact O-N 3.19Å; E514-N516 PolarHBondContact OE2-ND2 3.09Å; N516-R518 VanDerWaalsContact C-N 3.31Å; N516-R518 PolarHBondContact O-N 2.96Å
517N30.3Very low30.6Very low152 Ų152127.6 Ų127.681%0.81371%0.712SS**  trans-75.581.8170.3-86.66.5000110.9S515S515-N517 PolarHBondContact O-N 3.49Å
518R28.9Very low30.8Very low233 Ų233130.8 Ų130.888%0.87972%0.717SS**  trans-94.491.4158.2-83.2-172.8166.7-160.5-3.3109.3N516 C520N516-R518 VanDerWaalsContact C-N 3.31Å; N516-R518 PolarHBondContact O-N 2.96Å; R518-C520 PolarHBondContact O-N 3.18Å
519E33.7Very low31.1Very low171 Ų171134.1 Ų134.180%0.79973%0.732SS**  trans-71.5116.5163.3-80.3-174.491.200109.7L521E519-L521 PolarHBondContact O-N 3.35Å
520C26.3Very low31.4Very low129 Ų129131.5 Ų131.587%0.87273%0.729SS**  trans-73.2102.4171.8-68.10000110.1R518R518-C520 PolarHBondContact O-N 3.18Å
521L30.7Very low31.8Very low153 Ų153136.2 Ų136.280%0.80175%0.75SS**  trans-103.781.3170.4-108.2147.1000109.7E519E519-L521 PolarHBondContact O-N 3.35Å
522E32.7Very low32Very low196 Ų196135.2 Ų135.292%0.91676%0.755SS**  trans-108.7102.1166.6-162.2173173.600108.7
523S33.5Very low32.4Very low105 Ų105136.6 Ų136.673%0.73476%0.764SS**  trans-99.2110.3-169.459.30000112.9
524G30.7Very low32.6Very low71 Ų71138 Ų13873%0.73277%0.772SS**  trans81.212715200000117.6
525V37.2Very low33.1Very low134 Ų134138.7 Ų138.781%0.81278%0.779SS**  -176.5125.997.9153.60000109.5
526D33.5Very low33.4Very low137 Ų137138.3 Ų138.373%0.73377%0.772SS**  trans39.2118.5155.2-72.9-60.6000124.2
527S36.5Very low34Very low89 Ų89138.7 Ų138.762%0.62277%0.774SS**  79.1111.7120.9-67.30000121.8
528N34.1Very low34.6Very low157 Ų157138.5 Ų138.584%0.8477%0.773SS**  trans65.4108.4144.7-56.7-46000119.6
529N35.5Very low35.5Very low153 Ų153135 Ų13582%0.81877%0.772SS**  166.2133107.4-166.330.5000110.5
530P34.9Very low36Very low108 Ų108135.5 Ų135.570%0.70178%0.775SS**  trans-95.6129.1179.434.2-30.2000112.9
531H37Very low36.8Very low166 Ų166133 Ų13377%0.76976%0.763SS**  trans-157.5131.8152.7-140.1-80.9000112.6
532P34Very low37.5Very low116 Ų116136.2 Ų136.275%0.75379%0.788SS**  trans-89.2141.8170.234.6-31.7000110.9
533T37.1Very low37.7Very low128 Ų128133.2 Ų133.279%0.78578%0.782SS**  trans-146.3126.8164.2-43.40000110.9
534V31.6Very low38Very low123 Ų123134.7 Ų134.775%0.74579%0.785SS**  trans-75.3139.4173.6172.40000110.4T536V534-T536 HydrophobicContact CG1-CG2 3.94Å
535I37.6Very low38.4Very low164 Ų164138.2 Ų138.284%0.84179%0.787SS**  trans-135.6140.2152.9-58.9-176.1000107.6
536T36.5Very low38.4Very low100 Ų100138.5 Ų138.561%0.61379%0.786SS**  trans-104.9-163.9-16746.40000112.6V534V534-T536 HydrophobicContact CG1-CG2 3.94Å
537D41.2Very low38.7Very low128 Ų128138.6 Ų138.668%0.68479%0.789SS**  trans94.590.2163.4-43.9-8.3000111.9
538D42.3Very low38.9Very low147 Ų147141.9 Ų141.979%0.78680%0.8SS**  89.2113.173.9-81.9-42.6000112
539D47.8Very low39.2Very low161 Ų161140.8 Ų140.886%0.86180%0.798SS**  -174155120.2-111.9-45000114.5
540E46.2Very low39.5Very low181 Ų181139.8 Ų139.885%0.84680%0.796SS**  trans-63.2170.6-177.8-81.1-165107.500116.5
541A42.7Very low39.9Very low77 Ų77142.5 Ų142.564%0.63680%0.804SS**  cis-173154.4-20.900000110.4
542V44.7Very low40.2Very low219 Ų219140.4 Ų140.4100%1.32781%0.807SS**  trans159.90137.7160.20000109.4

Retrieved 542 of 542 residues in 59.8 ms (Link to these results)