A0A087XS27_POEFO Loading...

Trafficking from ER to golgi regulator

AlphaFold DB , UniProt , Accession A0A087XS27, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 418 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
1M34.8Very low59.3Low242 Ų242106.7 Ų106.7100%1.19260%0.597SS**  098.20-73.9152.9165.700107.9G3M1-G3 PolarHBondContact O-N 3.1Å
2N41.7Very low62.2Low169 Ų16999.3 Ų99.390%0.90455%0.554SS**  trans-76.3114.8171.3-75.4-24.2000107.4Q4N2-Q4 VanDerWaalsContact C-N 3.3Å; N2-Q4 PolarHBondContact O-N 3.05Å
3G47.5Very low64.7Low70 Ų7091.7 Ų91.772%0.72251%0.512SS*.  trans-67.692.8171.500000108.7M1 L5M1-G3 PolarHBondContact O-N 3.1Å; G3-L5 VanDerWaalsContact C-N 3.26Å; G3-L5 PolarHBondContact O-N 2.82Å
4Q46.9Very low67Low187 Ų18791.9 Ų91.987%0.87451%0.505SS*.  trans-64.693.1171.8-175.4167.3-13.100107.3N2 D6N2-Q4 VanDerWaalsContact C-N 3.3Å; N2-Q4 PolarHBondContact O-N 3.05Å; Q4-D6 PolarHBondContact O-N 2.91Å
5L59.7Low68.9Low109 Ų10985.7 Ų85.757%0.57147%0.471SS*.  trans-61.9106.7171.7-68.4170.6000106.3G3 L7G3-L5 VanDerWaalsContact C-N 3.26Å; G3-L5 PolarHBondContact O-N 2.82Å; L5-L7 VanDerWaalsContact C-N 3.29Å; L5-L7 HydrophobicContact CB-CD2 4.25Å; L5-L7 HydrophobicContact CB-CG 4.08Å; L5-L7 PolarHBondContact O-N 3.35Å
6D57.1Low70.6Confident125 Ų12584 Ų8467%0.66846%0.459SS*.  trans-69.893.6170.1-173.51000108Q4 S8Q4-D6 PolarHBondContact O-N 2.91Å; D6-S8 VanDerWaalsContact CG-OG 3.27Å; D6-S8 WeakPolarHBondContact OD1-CB 3.43Å; D6-S8 PolarHBondContact OD1-N 3.22Å; D6-S8 VanDerWaalsContact OD1-N 3.16Å; D6-S8 PolarHBondContact OD1-OG 3.49Å; D6-S8 PolarHBondContact OD2-OG 2.95Å
7L65.3Low71.8Confident45 Ų4579.8 Ų79.824%0.23644%0.436CS..  trans-8917.4179.2-63.4170000111.6L5 G9 K10 I12 R82 I83L5-L7 VanDerWaalsContact C-N 3.29Å; L5-L7 HydrophobicContact CB-CD2 4.25Å; L5-L7 HydrophobicContact CB-CG 4.08Å; L5-L7 PolarHBondContact O-N 3.35Å; L7-G9 PolarHBondContact O-N 3.29Å; L7-K10 PolarHBondContact O-N 3.28Å; L7-I12 HydrophobicContact CD2-CD1 3.55Å; L7-I12 HydrophobicContact CD2-CG1 4.19Å; L7-R82 HydrophobicContact CB-CB 4.42Å; L7-R82 HydrophobicContact CD1-CB 4.39Å; L7-I83 HydrophobicContact CD1-CD1 3.89Å; L7-I83 HydrophobicContact CD1-CG1 3.78Å
8S57.4Low72.7Confident81 Ų8176.6 Ų76.657%0.56642%0.423SS*.THydrogen-bonded Turntrans-52.3112.9176.748.80000111D6 K10D6-S8 VanDerWaalsContact CG-OG 3.27Å; D6-S8 WeakPolarHBondContact OD1-CB 3.43Å; D6-S8 PolarHBondContact OD1-N 3.22Å; D6-S8 VanDerWaalsContact OD1-N 3.16Å; D6-S8 PolarHBondContact OD1-OG 3.49Å; D6-S8 PolarHBondContact OD2-OG 2.95Å; S8-K10 VanDerWaalsContact C-N 3.27Å; S8-K10 PolarHBondContact O-N 2.95Å
9G65.3Low73.4Confident33 Ų3377.8 Ų77.834%0.3443%0.43SS..THydrogen-bonded Turntrans67.910-178.400000116.7L7L7-G9 PolarHBondContact O-N 3.29Å
10K84.9Confident74.2Confident112 Ų11275.4 Ų75.449%0.48742%0.416SS..  trans-120.6101-174.3-72.1-178.7-177.8171.50112.9L7 S8L7-K10 PolarHBondContact O-N 3.28Å; S8-K10 VanDerWaalsContact C-N 3.27Å; S8-K10 PolarHBondContact O-N 2.95Å
11L91.7Very high75.2Confident1 Ų176.7 Ų76.71%0.00542%0.421CS..EExtended strand (participates in β ladder)trans-71.7135171.2173.764.3000110.5I13 I26 I31 I78 L84L11-I13 HydrophobicContact CD2-CD1 4.42Å; L11-I13 HydrophobicContact CD2-CG1 4.47Å; L11-I13 HydrophobicContact CG-CG1 4.27Å; L11-I26 HydrophobicContact CB-CB 4.08Å; L11-I26 HydrophobicContact CD2-CB 4.13Å; L11-I26 HydrophobicContact CD2-CG1 4.28Å; L11-I26 HydrophobicContact CD2-CG2 4.27Å; L11-I26 HydrophobicContact CG-CB 4.13Å; L11-I26 HydrophobicContact CG-CG1 4.27Å; L11-I26 PolarHBondContact N-O 3.31Å; L11-I26 PolarHBondContact O-N 3.22Å; L11-I26 VanDerWaalsContact O-O 3.11Å; L11-I31 HydrophobicContact CD2-CG2 3.98Å; L11-I78 HydrophobicContact CD1-CG1 4.15Å; L11-I78 HydrophobicContact CD1-CG2 4.42Å; L11-I78 HydrophobicContact CD2-CD1 3.86Å; L11-I78 HydrophobicContact CD2-CG1 3.99Å; L11-L84 HydrophobicContact CD1-CD1 4.1Å; L11-L84 HydrophobicContact CD1-CG 4.03Å
12I93.9Very high78.1Confident17 Ų1769.8 Ų69.89%0.08738%0.382CS..EExtended strand (participates in β ladder)trans-124.1121.4175.6-58.7-174.2000108.9L7 R23 R82 I83 L84L7-I12 HydrophobicContact CD2-CD1 3.55Å; L7-I12 HydrophobicContact CD2-CG1 4.19Å; I12-R23 HydrophobicContact CG2-CG 3.82Å; I12-R82 PolarHBondContact N-O 3.19Å; I12-I83 HydrophobicContact CB-CG1 4.36Å; I12-I83 CarbonylContact O-C 3.59Å; I12-I83 VanDerWaalsContact O-CA 3.3Å; I12-I83 WeakPolarHBondContact O-CA 3.26Å; I12-L84 PolarHBondContact O-N 2.9Å
13I95.7Very high80.7Confident1 Ų169.4 Ų69.41%0.00537%0.368CS..EExtended strand (participates in β ladder)trans-101.5125.7176.8-59.8-176.7000109.2L11 A15 R23 I24 I26 L36 M40 L86L11-I13 HydrophobicContact CD2-CD1 4.42Å; L11-I13 HydrophobicContact CD2-CG1 4.47Å; L11-I13 HydrophobicContact CG-CG1 4.27Å; I13-A15 HydrophobicContact CG2-CB 4.22Å; I13-R23 CarbonylContact O-C 3.47Å; I13-R23 WeakPolarHBondContact O-CA 3.19Å; I13-I24 HydrophobicContact CB-CB 4.48Å; I13-I24 HydrophobicContact CB-CD1 4.39Å; I13-I24 HydrophobicContact CG2-CD1 4.23Å; I13-I24 PolarHBondContact N-O 2.79Å; I13-I24 PolarHBondContact O-N 3.13Å; I13-I26 HydrophobicContact CD1-CD1 4.11Å; I13-I26 HydrophobicContact CD1-CG1 3.73Å; I13-I26 HydrophobicContact CG1-CG1 3.83Å; I13-L36 HydrophobicContact CD1-CD1 3.49Å; I13-L36 VanDerWaalsContact CD1-CD1 3.49Å; I13-M40 HydrophobicContact CD1-CE 4.48Å; I13-M40 HydrophobicContact CG2-CE 3.74Å; I13-L86 HydrophobicContact CD1-CD1 4.48Å; I13-L86 HydrophobicContact CG2-CD1 3.51Å; I13-L86 HydrophobicContact CG2-CG 3.91Å
14K96.1Very high82.9Confident94 Ų9467 Ų6741%0.40934%0.338SS..EExtended strand (participates in β ladder)trans-105.991.5167-69.3-177.966.2-1760107.7R22 R23 I83 L84 L86K14-R22 CarbonylContact C-O 3.45Å; K14-R22 WeakPolarHBondContact CA-O 3.48Å; K14-R23 HydrophobicContact CG-CG 4.21Å; K14-I83 HydrophobicContact CD-CG2 4.21Å; K14-I83 HydrophobicContact CG-CG2 4.42Å; K14-L84 PolarHBondContact N-O 2.76Å; K14-L86 PolarHBondContact O-N 3.48Å
15A96.2Very high85.1Confident0 Ų062.3 Ų62.30%032%0.324CS..EExtended strand (participates in β ladder)trans-89.4138.6179.800000111.3I13 I21 R22 I24 M40 F44 L86I13-A15 HydrophobicContact CG2-CB 4.22Å; A15-I21 CarbonylContact O-C 3.53Å; A15-I21 WeakPolarHBondContact O-CA 3.41Å; A15-R22 PolarHBondContact N-O 2.82Å; A15-R22 PolarHBondContact O-N 2.96Å; A15-I24 HydrophobicContact CB-CD1 4.39Å; A15-M40 HydrophobicContact CB-CE 3.96Å; A15-M40 HydrophobicContact CB-SD 3.43Å; A15-M40 WeakPolarHBondContact CB-SD 3.43Å; A15-F44 HydrophobicContact CB-CE2 3.77Å; A15-F44 HydrophobicContact CB-CZ 4.1Å; A15-L86 CarbonylContact C-O 3.48Å; A15-L86 WeakPolarHBondContact CA-O 3.3Å; A15-L86 HydrophobicContact CB-CB 4.48Å
16Q95.2Very high86.6Confident58 Ų5857.7 Ų57.727%0.27130%0.3SS..EExtended strand (participates in β ladder)trans-120.5129177.7179.117112.200110.3G18 D20 I21 L86 L88Q16-G18 WeakPolarHBondContact CG-O 3.35Å; Q16-G18 PolarHBondContact NE2-O 3.44Å; Q16-D20 WeakPolarHBondContact CA-O 3.38Å; Q16-I21 HydrophobicContact CB-CG1 4.12Å; Q16-I21 HydrophobicContact CG-CG1 3.9Å; Q16-L86 PolarHBondContact N-O 3.31Å; Q16-L88 PolarHBondContact O-N 2.85Å
17L92Very high87.9Confident13 Ų1358.4 Ų58.47%0.06830%0.299CS..EExtended strand (participates in β ladder)trans-127.395.2170.4-178.966.5000108.6D19 D20 F44 K47 L48 L88 V90L17-D19 PolarHBondContact O-N 2.84Å; L17-D20 PolarHBondContact N-O 3.15Å; L17-D20 PolarHBondContact O-N 3.48Å; L17-F44 HydrophobicContact CB-CD1 3.83Å; L17-F44 HydrophobicContact CB-CD2 4.43Å; L17-F44 HydrophobicContact CB-CE1 3.73Å; L17-F44 HydrophobicContact CB-CE2 4.36Å; L17-F44 HydrophobicContact CB-CG 4.18Å; L17-F44 HydrophobicContact CB-CZ 4.01Å; L17-F44 HydrophobicContact CD2-CB 3.76Å; L17-F44 HydrophobicContact CD2-CD1 3.9Å; L17-F44 HydrophobicContact CD2-CG 3.82Å; L17-K47 HydrophobicContact CD2-CB 3.83Å; L17-L48 HydrophobicContact CD1-CD2 4.13Å; L17-L48 HydrophobicContact CD2-CD1 4.3Å; L17-L48 HydrophobicContact CD2-CD2 3.81Å; L17-L48 HydrophobicContact CD2-CG 3.78Å; L17-L88 HydrophobicContact CB-CB 4.49Å; L17-L88 HydrophobicContact CB-CD1 4.43Å; L17-L88 HydrophobicContact CD1-CB 3.94Å; L17-V90 HydrophobicContact CD1-CG2 3.96Å
18G87.3Confident88.7Confident21 Ų2159.7 Ų59.722%0.21631%0.306CS..THydrogen-bonded Turntrans61.4-125.1-169.800000111.3Q16 D20 L97Q16-G18 WeakPolarHBondContact CG-O 3.35Å; Q16-G18 PolarHBondContact NE2-O 3.44Å; G18-D20 VanDerWaalsContact C-N 3.32Å; G18-D20 PolarHBondContact O-N 3.38Å; G18-L97 VanDerWaalsContact C-CD2 3.46Å; G18-L97 WeakPolarHBondContact O-CD2 3.37Å
19D85.9Confident89.6Confident101 Ų10159.7 Ų59.754%0.5430%0.297SS..THydrogen-bonded Turntrans-76.2-12.4177.8-57.7-28.7000113.8L17 K103L17-D19 PolarHBondContact O-N 2.84Å; D19-K103 IonicContact OD2-NZ 2.7Å; D19-K103 PolarHBondContact OD2-NZ 3.46Å
20D90.6Very high90.6Very high29 Ų2964.6 Ų64.616%0.15532%0.315CS..EExtended strand (participates in β ladder)trans-92.4118.8-175.4-170-9.2000111.1Q16 L17 G18 R22 F44 K47Q16-D20 WeakPolarHBondContact CA-O 3.38Å; L17-D20 PolarHBondContact N-O 3.15Å; L17-D20 PolarHBondContact O-N 3.48Å; G18-D20 VanDerWaalsContact C-N 3.32Å; G18-D20 PolarHBondContact O-N 3.38Å; D20-R22 WeakPolarHBondContact OD1-CG 3.41Å; D20-R22 IonicContact OD1-CZ 3.9Å; D20-R22 IonicContact OD1-NE 3.11Å; D20-R22 PolarHBondContact OD1-NE 3.21Å; D20-R22 VanDerWaalsContact OD1-NE 3.11Å; D20-R22 IonicContact OD1-NH2 3.76Å; D20-R22 IonicContact OD2-CZ 3.39Å; D20-R22 IonicContact OD2-NE 3.13Å; D20-R22 PolarHBondContact OD2-NE 2.83Å; D20-R22 VanDerWaalsContact OD2-NE 3.13Å; D20-R22 IonicContact OD2-NH2 2.8Å; D20-R22 PolarHBondContact OD2-NH2 2.95Å; D20-F44 HydrophobicContact CB-CD1 4.5Å; D20-F44 HydrophobicContact CB-CE1 4.02Å; D20-K47 IonicContact OD2-NZ 2.7Å; D20-K47 PolarHBondContact OD2-NZ 3.37Å
21I94.6Very high90.9Very high103 Ų10359.8 Ų59.853%0.52830%0.295SS..EExtended strand (participates in β ladder)trans-117.8124.7-179.9-58.6175.4000109.4A15 Q16A15-I21 CarbonylContact O-C 3.53Å; A15-I21 WeakPolarHBondContact O-CA 3.41Å; Q16-I21 HydrophobicContact CB-CG1 4.12Å; Q16-I21 HydrophobicContact CG-CG1 3.9Å
22R95.4Very high91Very high97 Ų9762.3 Ų62.337%0.36631%0.31SS..EExtended strand (participates in β ladder)trans-124.2134.6-177.2-61.9-177.6-177.7-136.5-7.5110.8K14 A15 D20 V43 F44K14-R22 CarbonylContact C-O 3.45Å; K14-R22 WeakPolarHBondContact CA-O 3.48Å; A15-R22 PolarHBondContact N-O 2.82Å; A15-R22 PolarHBondContact O-N 2.96Å; D20-R22 WeakPolarHBondContact OD1-CG 3.41Å; D20-R22 IonicContact OD1-CZ 3.9Å; D20-R22 IonicContact OD1-NE 3.11Å; D20-R22 PolarHBondContact OD1-NE 3.21Å; D20-R22 VanDerWaalsContact OD1-NE 3.11Å; D20-R22 IonicContact OD1-NH2 3.76Å; D20-R22 IonicContact OD2-CZ 3.39Å; D20-R22 IonicContact OD2-NE 3.13Å; D20-R22 PolarHBondContact OD2-NE 2.83Å; D20-R22 VanDerWaalsContact OD2-NE 3.13Å; D20-R22 IonicContact OD2-NH2 2.8Å; D20-R22 PolarHBondContact OD2-NH2 2.95Å; R22-V43 HydrophobicContact CB-CG1 3.95Å; R22-V43 VanDerWaalsContact CD-CG1 3.44Å; R22-V43 HydrophobicContact CG-CG1 4.3Å; R22-V43 PolarHBondContact NH1-O 2.84Å; R22-F44 HydrophobicContact CB-CE1 4.41Å; R22-F44 HydrophobicContact CB-CZ 4.03Å; R22-F44 VanDerWaalsContact CD-CE1 3.45Å; R22-F44 HydrophobicContact CG-CE1 3.73Å; R22-F44 HydrophobicContact CG-CZ 3.87Å
23R95.7Very high91.1Very high160 Ų16063.3 Ų63.360%0.60431%0.313SS*.EExtended strand (participates in β ladder)trans-106.2121.1177.8-172.5-178.7179.4-157.91.3109.5I12 I13 K14I12-R23 HydrophobicContact CG2-CG 3.82Å; I13-R23 CarbonylContact O-C 3.47Å; I13-R23 WeakPolarHBondContact O-CA 3.19Å; K14-R23 HydrophobicContact CG-CG 4.21Å
24I94.3Very high91.1Very high21 Ų2168.6 Ų68.611%0.10834%0.341CS..EExtended strand (participates in β ladder)trans-123.3115.2-172.1-43.7150.7000107.7I13 A15 I26 M39 M40 V43I13-I24 HydrophobicContact CB-CB 4.48Å; I13-I24 HydrophobicContact CB-CD1 4.39Å; I13-I24 HydrophobicContact CG2-CD1 4.23Å; I13-I24 PolarHBondContact N-O 2.79Å; I13-I24 PolarHBondContact O-N 3.13Å; A15-I24 HydrophobicContact CB-CD1 4.39Å; I24-I26 HydrophobicContact CB-CD1 4.31Å; I24-I26 HydrophobicContact CG2-CD1 3.69Å; I24-M39 HydrophobicContact CG2-CE 3.83Å; I24-M40 HydrophobicContact CD1-CE 3.66Å; I24-M40 HydrophobicContact CD1-SD 4.3Å; I24-V43 HydrophobicContact CD1-CB 4.41Å; I24-V43 HydrophobicContact CD1-CG1 4.04Å; I24-V43 HydrophobicContact CD1-CG2 3.89Å; I24-V43 HydrophobicContact CG1-CG1 4.29Å; I24-V43 HydrophobicContact CG1-CG2 4.16Å
25P93Very high91Very high88 Ų8868.1 Ų68.157%0.57134%0.341SS*.EExtended strand (participates in β ladder)trans-77.1130.6169.331.1-31.1000109.7
26I91.1Very high90.9Very high12 Ų1268.1 Ų68.16%0.06234%0.341CS..EExtended strand (participates in β ladder)trans-113.9130.1178.4-46.4-62.7000108L11 I13 I24 N28 I31 M39L11-I26 HydrophobicContact CB-CB 4.08Å; L11-I26 HydrophobicContact CD2-CB 4.13Å; L11-I26 HydrophobicContact CD2-CG1 4.28Å; L11-I26 HydrophobicContact CD2-CG2 4.27Å; L11-I26 HydrophobicContact CG-CB 4.13Å; L11-I26 HydrophobicContact CG-CG1 4.27Å; L11-I26 PolarHBondContact N-O 3.31Å; L11-I26 PolarHBondContact O-N 3.22Å; L11-I26 VanDerWaalsContact O-O 3.11Å; I13-I26 HydrophobicContact CD1-CD1 4.11Å; I13-I26 HydrophobicContact CD1-CG1 3.73Å; I13-I26 HydrophobicContact CG1-CG1 3.83Å; I24-I26 HydrophobicContact CB-CD1 4.31Å; I24-I26 HydrophobicContact CG2-CD1 3.69Å; I26-N28 VanDerWaalsContact CG2-O 3.32Å; I26-N28 WeakPolarHBondContact CG2-O 3.36Å; I26-I31 HydrophobicContact CG2-CD1 4.33Å; I26-M39 HydrophobicContact CD1-CE 3.4Å; I26-M39 VanDerWaalsContact CD1-CE 3.4Å; I26-M39 HydrophobicContact CD1-SD 3.92Å
27H84.4Confident90.8Very high140 Ų14066.6 Ų66.665%0.64834%0.335SS*.  trans-102.8-15.5178.8-63.689.8000113
28N82.9Confident90.9Very high71 Ų7171.3 Ų71.338%0.3836%0.36SS..  trans-88.1119.4172-172.721.5000108.9I26 D30I26-N28 VanDerWaalsContact CG2-O 3.32Å; I26-N28 WeakPolarHBondContact CG2-O 3.36Å; N28-D30 PolarHBondContact ND2-O 3.44Å; N28-D30 PolarHBondContact OD1-N 2.86Å
29E75.9Confident91.2Very high81 Ų8173.1 Ų73.138%0.37936%0.363SS..SBendtrans-79-28.5174.7-57.3-161.899.400111.3I31 R82E29-I31 PolarHBondContact O-N 3.11Å; E29-R82 IonicContact OE1-CZ 2.79Å; E29-R82 IonicContact OE1-NH1 2.73Å; E29-R82 PolarHBondContact OE1-NH1 2.83Å; E29-R82 IonicContact OE1-NH2 2.64Å; E29-R82 PolarHBondContact OE1-NH2 3.34Å
30D85.4Confident91.5Very high136 Ų13668.3 Ų68.373%0.72734%0.338SS*.SBendtrans-87.135-179.7-53.3-67.5000112.7N28 T32N28-D30 PolarHBondContact ND2-O 3.44Å; N28-D30 PolarHBondContact OD1-N 2.86Å; D30-T32 PolarHBondContact O-N 2.87Å
31I91.2Very high91.6Very high11 Ų1168.4 Ų68.46%0.05634%0.337CS..  trans-69.6125.4179.4-176171.1000110.9L11 I26 E29 E35 L36 M39 L74 I78L11-I31 HydrophobicContact CD2-CG2 3.98Å; I26-I31 HydrophobicContact CG2-CD1 4.33Å; E29-I31 PolarHBondContact O-N 3.11Å; I31-E35 HydrophobicContact CG1-CB 3.95Å; I31-L36 HydrophobicContact CD1-CB 4.33Å; I31-L36 HydrophobicContact CD1-CD1 4.42Å; I31-M39 HydrophobicContact CD1-SD 3.74Å; I31-L74 WeakPolarHBondContact O-CD2 3.48Å; I31-I78 HydrophobicContact CG2-CD1 3.97Å
32T95.1Very high91.5Very high55 Ų5573.6 Ų73.634%0.33735%0.35SS..  trans-82.5161.7178.160.30000112.5D30 D34 E35 L36D30-T32 PolarHBondContact O-N 2.87Å; T32-D34 PolarHBondContact O-N 3.42Å; T32-E35 PolarHBondContact N-OE2 3.44Å; T32-E35 PolarHBondContact O-N 3.16Å; T32-E35 WeakPolarHBondContact OG1-CB 3.48Å; T32-E35 VanDerWaalsContact OG1-CD 3.29Å; T32-E35 WeakPolarHBondContact OG1-CG 3.29Å; T32-E35 PolarHBondContact OG1-N 3.18Å; T32-E35 PolarHBondContact OG1-OE2 3.39Å; T32-L36 PolarHBondContact O-N 2.9Å
33Y96.1Very high91.4Very high37 Ų3770.5 Ų70.515%0.14534%0.342CS..Hα-helixtrans-60-42.7177.9-178.6-101.1000112.6E35 L36 V37 I56 I68 S71Y33-E35 PolarHBondContact O-N 3.43Å; Y33-L36 WeakPolarHBondContact O-CB 3.32Å; Y33-L36 PolarHBondContact O-N 2.81Å; Y33-V37 HydrophobicContact CD1-CG2 4.14Å; Y33-V37 HydrophobicContact CE1-CG2 3.66Å; Y33-V37 HydrophobicContact CE2-CG2 4.3Å; Y33-V37 WeakPolarHBondContact O-CG2 3.22Å; Y33-V37 PolarHBondContact O-N 3.43Å; Y33-I56 HydrophobicContact CE2-CB 4.35Å; Y33-I56 HydrophobicContact CE2-CD1 4.11Å; Y33-I56 HydrophobicContact CE2-CG1 4.35Å; Y33-I68 HydrophobicContact CD2-CB 4.44Å; Y33-I68 HydrophobicContact CD2-CG2 3.55Å; Y33-I68 HydrophobicContact CE2-CB 4.11Å; Y33-I68 HydrophobicContact CE2-CG2 3.71Å; Y33-I68 WeakPolarHBondContact CE2-O 3.47Å; Y33-S71 PolarHBondContact N-OG 3.49Å
34D93.8Very high91.2Very high112 Ų11262.9 Ų62.960%0.59931%0.314SS*.Hα-helixtrans-63.9-41.4178.1-60.8-75.5000112.3T32 L36 V37 L38T32-D34 PolarHBondContact O-N 3.42Å; D34-L36 VanDerWaalsContact C-N 3.33Å; D34-L36 PolarHBondContact O-N 3.09Å; D34-V37 PolarHBondContact O-N 2.83Å; D34-L38 WeakPolarHBondContact O-CB 3.34Å; D34-L38 VanDerWaalsContact O-CG 3.32Å; D34-L38 WeakPolarHBondContact O-CG 3.33Å; D34-L38 PolarHBondContact O-N 3.47Å
35E94.3Very high90.9Very high85 Ų8572.5 Ų72.540%0.39735%0.348SS..Hα-helixtrans-62-41.4172.4-73.3171.8129.700111.7I31 T32 Y33 L38 M39I31-E35 HydrophobicContact CG1-CB 3.95Å; T32-E35 PolarHBondContact N-OE2 3.44Å; T32-E35 PolarHBondContact O-N 3.16Å; T32-E35 WeakPolarHBondContact OG1-CB 3.48Å; T32-E35 VanDerWaalsContact OG1-CD 3.29Å; T32-E35 WeakPolarHBondContact OG1-CG 3.29Å; T32-E35 PolarHBondContact OG1-N 3.18Å; T32-E35 PolarHBondContact OG1-OE2 3.39Å; Y33-E35 PolarHBondContact O-N 3.43Å; E35-L38 PolarHBondContact O-N 3.35Å; E35-M39 WeakPolarHBondContact O-CB 3.47Å; E35-M39 VanDerWaalsContact O-CG 3.28Å; E35-M39 WeakPolarHBondContact O-CG 3.37Å; E35-M39 PolarHBondContact O-N 3.02Å
36L95Very high90.5Very high0 Ų071.5 Ų71.50%035%0.354CS..Hα-helixtrans-61.6-44.4175.9-179.364.3000111.6I13 I31 T32 Y33 D34 M39 M40 I56 L74 L86I13-L36 HydrophobicContact CD1-CD1 3.49Å; I13-L36 VanDerWaalsContact CD1-CD1 3.49Å; I31-L36 HydrophobicContact CD1-CB 4.33Å; I31-L36 HydrophobicContact CD1-CD1 4.42Å; T32-L36 PolarHBondContact O-N 2.9Å; Y33-L36 WeakPolarHBondContact O-CB 3.32Å; Y33-L36 PolarHBondContact O-N 2.81Å; D34-L36 VanDerWaalsContact C-N 3.33Å; D34-L36 PolarHBondContact O-N 3.09Å; L36-M39 WeakPolarHBondContact O-CB 3.42Å; L36-M39 PolarHBondContact O-N 3.34Å; L36-M40 HydrophobicContact CD1-CE 3.53Å; L36-M40 HydrophobicContact CG-CE 4.49Å; L36-M40 WeakPolarHBondContact O-CG 3.46Å; L36-M40 PolarHBondContact O-N 3.48Å; L36-I56 HydrophobicContact CD2-CD1 3.89Å; L36-I56 HydrophobicContact CD2-CG2 4.5Å; L36-I56 HydrophobicContact CG-CD1 3.87Å; L36-L74 HydrophobicContact CB-CD2 4.14Å; L36-L74 HydrophobicContact CD2-CD1 3.65Å; L36-L74 HydrophobicContact CD2-CD2 3.9Å; L36-L74 HydrophobicContact CD2-CG 4.42Å; L36-L86 HydrophobicContact CD1-CD1 4.18Å; L36-L86 HydrophobicContact CD2-CD1 4.13Å
37V93.8Very high90.2Very high26 Ų2675.8 Ų75.816%0.15837%0.372CS..Hα-helixtrans-61-47.7175.6171.70000110.8Y33 D34 M39 M40 Q41 I56Y33-V37 HydrophobicContact CD1-CG2 4.14Å; Y33-V37 HydrophobicContact CE1-CG2 3.66Å; Y33-V37 HydrophobicContact CE2-CG2 4.3Å; Y33-V37 WeakPolarHBondContact O-CG2 3.22Å; Y33-V37 PolarHBondContact O-N 3.43Å; D34-V37 PolarHBondContact O-N 2.83Å; V37-M39 VanDerWaalsContact C-N 3.3Å; V37-M39 PolarHBondContact O-N 2.86Å; V37-M40 PolarHBondContact O-N 2.91Å; V37-M40 VanDerWaalsContact O-N 3.11Å; V37-Q41 WeakPolarHBondContact O-CG 3.3Å; V37-Q41 PolarHBondContact O-N 3.3Å; V37-I56 HydrophobicContact CG2-CD1 3.87Å
38L92.6Very high90.2Very high111 Ų11169.4 Ų69.458%0.58134%0.343SS*.Hα-helixtrans-59.9-39.6175.5-73.2169.5000112.1D34 E35 R42D34-L38 WeakPolarHBondContact O-CB 3.34Å; D34-L38 VanDerWaalsContact O-CG 3.32Å; D34-L38 WeakPolarHBondContact O-CG 3.33Å; D34-L38 PolarHBondContact O-N 3.47Å; E35-L38 PolarHBondContact O-N 3.35Å; L38-R42 WeakPolarHBondContact O-CB 3.13Å; L38-R42 PolarHBondContact O-N 3.48Å
39M93.1Very high90.2Very high59 Ų5971.8 Ų71.829%0.29135%0.352SS..Hα-helixtrans-62.8-44173-77-16569.300111.5I24 I26 I31 E35 L36 V37 R42 V43I24-M39 HydrophobicContact CG2-CE 3.83Å; I26-M39 HydrophobicContact CD1-CE 3.4Å; I26-M39 VanDerWaalsContact CD1-CE 3.4Å; I26-M39 HydrophobicContact CD1-SD 3.92Å; I31-M39 HydrophobicContact CD1-SD 3.74Å; E35-M39 WeakPolarHBondContact O-CB 3.47Å; E35-M39 VanDerWaalsContact O-CG 3.28Å; E35-M39 WeakPolarHBondContact O-CG 3.37Å; E35-M39 PolarHBondContact O-N 3.02Å; L36-M39 WeakPolarHBondContact O-CB 3.42Å; L36-M39 PolarHBondContact O-N 3.34Å; V37-M39 VanDerWaalsContact C-N 3.3Å; V37-M39 PolarHBondContact O-N 2.86Å; M39-R42 PolarHBondContact O-N 3.31Å; M39-V43 VanDerWaalsContact O-CB 3.24Å; M39-V43 WeakPolarHBondContact O-CB 3.49Å; M39-V43 WeakPolarHBondContact O-CG2 3.24Å; M39-V43 PolarHBondContact O-N 3.31Å
40M94Very high90.5Very high1 Ų172.4 Ų72.41%0.00537%0.365CS..Hα-helixtrans-65-45178.2-68.1-53.9140.100112.5I13 A15 I24 L36 V37 R42 V43 F44 I56 L86 L88I13-M40 HydrophobicContact CD1-CE 4.48Å; I13-M40 HydrophobicContact CG2-CE 3.74Å; A15-M40 HydrophobicContact CB-CE 3.96Å; A15-M40 HydrophobicContact CB-SD 3.43Å; A15-M40 WeakPolarHBondContact CB-SD 3.43Å; I24-M40 HydrophobicContact CD1-CE 3.66Å; I24-M40 HydrophobicContact CD1-SD 4.3Å; L36-M40 HydrophobicContact CD1-CE 3.53Å; L36-M40 HydrophobicContact CG-CE 4.49Å; L36-M40 WeakPolarHBondContact O-CG 3.46Å; L36-M40 PolarHBondContact O-N 3.48Å; V37-M40 PolarHBondContact O-N 2.91Å; V37-M40 VanDerWaalsContact O-N 3.11Å; M40-R42 VanDerWaalsContact C-N 3.29Å; M40-R42 PolarHBondContact O-N 3.3Å; M40-V43 PolarHBondContact O-N 2.73Å; M40-F44 PolarHBondContact O-N 2.7Å; M40-F44 HydrophobicContact SD-CE2 4.22Å; M40-I56 HydrophobicContact CG-CD1 4.33Å; M40-L86 HydrophobicContact CE-CD1 4.18Å; M40-L88 HydrophobicContact CB-CD1 3.9Å; M40-L88 HydrophobicContact CB-CD2 4.4Å; M40-L88 HydrophobicContact CG-CD1 3.96Å; M40-L88 HydrophobicContact CG-CD2 3.88Å; M40-L88 HydrophobicContact SD-CD1 3.85Å; M40-L88 HydrophobicContact SD-CD2 4.25Å
41Q92.6Very high90.4Very high31 Ų3173.6 Ų73.615%0.14537%0.371CS..Hα-helixtrans-56.9-42173.4-71.3-177-7.700111.8V37 F44 R45 S50 V54V37-Q41 WeakPolarHBondContact O-CG 3.3Å; V37-Q41 PolarHBondContact O-N 3.3Å; Q41-F44 CarbonylContact O-C 3.58Å; Q41-R45 WeakPolarHBondContact O-CA 3.35Å; Q41-R45 PolarHBondContact O-N 3.46Å; Q41-R45 VanDerWaalsContact O-N 3.12Å; Q41-S50 PolarHBondContact NE2-O 3.12Å; Q41-V54 HydrophobicContact CG-CG2 4.47Å
42R92.1Very high90.2Very high211 Ų21174.7 Ų74.780%0.79638%0.377SS*.Hα-helixtrans-71.1-41.8177.7-170.2180-176110.7-1.8112.6L38 M39 M40 R45L38-R42 WeakPolarHBondContact O-CB 3.13Å; L38-R42 PolarHBondContact O-N 3.48Å; M39-R42 PolarHBondContact O-N 3.31Å; M40-R42 VanDerWaalsContact C-N 3.29Å; M40-R42 PolarHBondContact O-N 3.3Å; R42-R45 WeakPolarHBondContact O-CB 3.21Å; R42-R45 PolarHBondContact O-N 2.79Å
43V92.9Very high89.9Confident33 Ų3378.1 Ų78.120%0.239%0.39CS..Hα-helixtrans-68.1-35.9-178164.20000111.5R22 I24 M39 M40R22-V43 HydrophobicContact CB-CG1 3.95Å; R22-V43 VanDerWaalsContact CD-CG1 3.44Å; R22-V43 HydrophobicContact CG-CG1 4.3Å; R22-V43 PolarHBondContact NH1-O 2.84Å; I24-V43 HydrophobicContact CD1-CB 4.41Å; I24-V43 HydrophobicContact CD1-CG1 4.04Å; I24-V43 HydrophobicContact CD1-CG2 3.89Å; I24-V43 HydrophobicContact CG1-CG1 4.29Å; I24-V43 HydrophobicContact CG1-CG2 4.16Å; M39-V43 VanDerWaalsContact O-CB 3.24Å; M39-V43 WeakPolarHBondContact O-CB 3.49Å; M39-V43 WeakPolarHBondContact O-CG2 3.24Å; M39-V43 PolarHBondContact O-N 3.31Å; M40-V43 PolarHBondContact O-N 2.73Å
44F92.6Very high89.6Confident0 Ų077 Ų770%039%0.386CS..THydrogen-bonded Turntrans-105.230174.9-63.5-82.7000112.9A15 L17 D20 R22 M40 Q41 G46 K47 L48 L88A15-F44 HydrophobicContact CB-CE2 3.77Å; A15-F44 HydrophobicContact CB-CZ 4.1Å; L17-F44 HydrophobicContact CB-CD1 3.83Å; L17-F44 HydrophobicContact CB-CD2 4.43Å; L17-F44 HydrophobicContact CB-CE1 3.73Å; L17-F44 HydrophobicContact CB-CE2 4.36Å; L17-F44 HydrophobicContact CB-CG 4.18Å; L17-F44 HydrophobicContact CB-CZ 4.01Å; L17-F44 HydrophobicContact CD2-CB 3.76Å; L17-F44 HydrophobicContact CD2-CD1 3.9Å; L17-F44 HydrophobicContact CD2-CG 3.82Å; D20-F44 HydrophobicContact CB-CD1 4.5Å; D20-F44 HydrophobicContact CB-CE1 4.02Å; R22-F44 HydrophobicContact CB-CE1 4.41Å; R22-F44 HydrophobicContact CB-CZ 4.03Å; R22-F44 VanDerWaalsContact CD-CE1 3.45Å; R22-F44 HydrophobicContact CG-CE1 3.73Å; R22-F44 HydrophobicContact CG-CZ 3.87Å; M40-F44 PolarHBondContact O-N 2.7Å; M40-F44 HydrophobicContact SD-CE2 4.22Å; Q41-F44 CarbonylContact O-C 3.58Å; F44-G46 PolarHBondContact O-N 2.83Å; F44-K47 HydrophobicContact CB-CB 4.46Å; F44-K47 WeakPolarHBondContact O-CA 3.22Å; F44-K47 WeakPolarHBondContact O-CB 3.38Å; F44-K47 PolarHBondContact O-N 2.83Å; F44-L48 HydrophobicContact CB-CD1 3.98Å; F44-L48 HydrophobicContact CB-CG 4.03Å; F44-L48 PolarHBondContact O-N 2.8Å; F44-L88 HydrophobicContact CD2-CD1 3.65Å; F44-L88 HydrophobicContact CE2-CD1 3.53Å; F44-L88 HydrophobicContact CZ-CD1 4.47Å
45R87.1Confident89.6Confident222 Ų22273.1 Ų73.184%0.83837%0.367SS*.BIsolated β-bridgetrans-51130.7177.5-178.4-179.6178.2-171.4-0.5111.1Q41 R42 K47Q41-R45 WeakPolarHBondContact O-CA 3.35Å; Q41-R45 PolarHBondContact O-N 3.46Å; Q41-R45 VanDerWaalsContact O-N 3.12Å; R42-R45 WeakPolarHBondContact O-CB 3.21Å; R42-R45 PolarHBondContact O-N 2.79Å; R45-K47 VanDerWaalsContact C-N 3.31Å
46G84.6Confident89.6Confident67 Ų6769 Ų6969%0.69135%0.348SS*.THydrogen-bonded Turntrans88.7-10.5-17600000114.3F44F44-G46 PolarHBondContact O-N 2.83Å
47K84.6Confident89.6Confident103 Ų10371.8 Ų71.845%0.44836%0.36SS..THydrogen-bonded Turntrans-109.4-28.9165.8-62.2-176.4174.8-177.10112.4L17 D20 F44 R45L17-K47 HydrophobicContact CD2-CB 3.83Å; D20-K47 IonicContact OD2-NZ 2.7Å; D20-K47 PolarHBondContact OD2-NZ 3.37Å; F44-K47 HydrophobicContact CB-CB 4.46Å; F44-K47 WeakPolarHBondContact O-CA 3.22Å; F44-K47 WeakPolarHBondContact O-CB 3.38Å; F44-K47 PolarHBondContact O-N 2.83Å; R45-K47 VanDerWaalsContact C-N 3.31Å
48L85.5Confident89.8Confident6 Ų671.2 Ų71.23%0.03136%0.355CS..BIsolated β-bridgetrans-109.7141.7167-59.9178.9000110.1L17 F44 D52 V54 L88 V90L17-L48 HydrophobicContact CD1-CD2 4.13Å; L17-L48 HydrophobicContact CD2-CD1 4.3Å; L17-L48 HydrophobicContact CD2-CD2 3.81Å; L17-L48 HydrophobicContact CD2-CG 3.78Å; F44-L48 HydrophobicContact CB-CD1 3.98Å; F44-L48 HydrophobicContact CB-CG 4.03Å; F44-L48 PolarHBondContact O-N 2.8Å; L48-D52 WeakPolarHBondContact CA-OD2 3.44Å; L48-V54 HydrophobicContact CD1-CG2 4.11Å; L48-V54 HydrophobicContact CD2-CG2 4.4Å; L48-L88 HydrophobicContact CD1-CD1 4.47Å; L48-V90 HydrophobicContact CD2-CG2 3.42Å; L48-V90 VanDerWaalsContact CD2-CG2 3.42Å
49Q81.8Confident89.9Confident121 Ų12169.4 Ų69.457%0.56534%0.342SS*.  trans-96.6159.9165.6-59.2-64.8-17.300110.4N51 D52Q49-N51 PolarHBondContact O-N 2.89Å; Q49-D52 PolarHBondContact N-OD2 2.82Å; Q49-D52 WeakPolarHBondContact O-CB 3.42Å; Q49-D52 PolarHBondContact O-N 3.31Å
50S82.9Confident90Very high94 Ų9468.3 Ų68.366%0.65734%0.338SS*.THydrogen-bonded Turntrans-68.9-17.5175.8-61.10000114.1Q41Q41-S50 PolarHBondContact NE2-O 3.12Å
51N83.3Confident89.9Confident160 Ų16076.5 Ų76.586%0.85638%0.376SS*.THydrogen-bonded Turntrans-95.6-0.2175-56.7-51.9000113Q49Q49-N51 PolarHBondContact O-N 2.89Å
52D86.1Confident89.9Confident34 Ų3481.2 Ų81.218%0.18240%0.402CS..SBendtrans-73.7131.3177.2-75.2-10.5000109.5L48 Q49 V54 V90L48-D52 WeakPolarHBondContact CA-OD2 3.44Å; Q49-D52 PolarHBondContact N-OD2 2.82Å; Q49-D52 WeakPolarHBondContact O-CB 3.42Å; Q49-D52 PolarHBondContact O-N 3.31Å; D52-V54 PolarHBondContact O-N 3.03Å; D52-V90 HydrophobicContact CB-CG1 3.86Å
53E88.9Confident89.9Confident128 Ų12875.4 Ų75.460%0.59839%0.387SS*.  trans-74.6110.3171.7-177.5-176.2-167.900108.7V90 N91E53-V90 CarbonylContact O-C 3.54Å; E53-V90 WeakPolarHBondContact O-CA 3.33Å; E53-N91 PolarHBondContact N-OD1 3.3Å; E53-N91 VanDerWaalsContact N-OD1 3.07Å; E53-N91 PolarHBondContact O-N 3.37Å
54V90.4Very high90Very high13 Ų1378.7 Ų78.78%0.07940%0.403CS..EExtended strand (participates in β ladder)trans-100.2113.5-178.6-177.80000109.7Q41 L48 D52 I56 L88 F89Q41-V54 HydrophobicContact CG-CG2 4.47Å; L48-V54 HydrophobicContact CD1-CG2 4.11Å; L48-V54 HydrophobicContact CD2-CG2 4.4Å; D52-V54 PolarHBondContact O-N 3.03Å; V54-I56 HydrophobicContact CG1-CG1 4.12Å; V54-L88 HydrophobicContact CG1-CD2 4.24Å; V54-F89 WeakPolarHBondContact CA-O 3.49Å
55T92.8Very high90.1Very high30 Ų3082.2 Ų82.218%0.18442%0.422CS..EExtended strand (participates in β ladder)trans-93.2126.3168.6-42.50000109.1T67 F89T55-T67 HydrophobicContact CG2-CG2 3.74Å; T55-F89 PolarHBondContact N-O 3.37Å; T55-F89 PolarHBondContact O-N 3.15Å
56I95.3Very high90.5Very high0 Ų074.8 Ų74.80%040%0.398CS..EExtended strand (participates in β ladder)trans-102.8129.2-179.7-53.7-173.8000109.2Y33 L36 V37 M40 V54 I68 L86 L88Y33-I56 HydrophobicContact CE2-CB 4.35Å; Y33-I56 HydrophobicContact CE2-CD1 4.11Å; Y33-I56 HydrophobicContact CE2-CG1 4.35Å; L36-I56 HydrophobicContact CD2-CD1 3.89Å; L36-I56 HydrophobicContact CD2-CG2 4.5Å; L36-I56 HydrophobicContact CG-CD1 3.87Å; V37-I56 HydrophobicContact CG2-CD1 3.87Å; M40-I56 HydrophobicContact CG-CD1 4.33Å; V54-I56 HydrophobicContact CG1-CG1 4.12Å; I56-I68 HydrophobicContact CG2-CD1 4.14Å; I56-I68 PolarHBondContact O-N 3.18Å; I56-L86 HydrophobicContact CG2-CB 4.38Å; I56-L86 HydrophobicContact CG2-CD1 3.99Å; I56-L86 HydrophobicContact CG2-CD2 4.15Å; I56-L86 HydrophobicContact CG2-CG 4.41Å; I56-L88 HydrophobicContact CB-CD2 4.4Å; I56-L88 HydrophobicContact CD1-CD2 4.4Å; I56-L88 HydrophobicContact CG1-CD2 3.88Å; I56-L88 HydrophobicContact CG2-CD2 4.2Å
57K95.5Very high91.1Very high57 Ų5772.9 Ų72.925%0.24837%0.373CS..EExtended strand (participates in β ladder)trans-120.5144.3168.1-54.6-161.2176.9-152.70110.4L65 I66 T67 L86 T87 F89K57-L65 HydrophobicContact CB-CB 4.45Å; K57-L65 HydrophobicContact CB-CD2 4.4Å; K57-L65 HydrophobicContact CD-CB 4.1Å; K57-I66 CarbonylContact C-O 3.4Å; K57-I66 WeakPolarHBondContact CA-O 3.46Å; K57-I66 VanDerWaalsContact CB-O 3.28Å; K57-I66 WeakPolarHBondContact CB-O 3.17Å; K57-T67 WeakPolarHBondContact CD-OG1 3.34Å; K57-T67 WeakPolarHBondContact CE-OG1 3.24Å; K57-T67 HydrophobicContact CG-CG2 4.28Å; K57-T67 PolarHBondContact NZ-OG1 3.19Å; K57-L86 CarbonylContact O-C 3.53Å; K57-L86 VanDerWaalsContact O-CA 3.24Å; K57-L86 WeakPolarHBondContact O-CA 3.34Å; K57-T87 PolarHBondContact N-O 3.11Å; K57-T87 PolarHBondContact O-N 2.88Å; K57-F89 HydrophobicContact CB-CE2 3.95Å; K57-F89 HydrophobicContact CD-CD2 4.22Å; K57-F89 HydrophobicContact CD-CE2 3.66Å; K57-F89 HydrophobicContact CD-CZ 4.14Å; K57-F89 HydrophobicContact CG-CD2 3.92Å; K57-F89 HydrophobicContact CG-CE2 3.61Å
58Y96.4Very high91.7Very high14 Ų1468 Ų686%0.05535%0.351CS..EExtended strand (participates in β ladder)trans-105156167.775.3-83.7000110.8D60 L65 I66 I68 A77 K85Y58-D60 HydrophobicContact CD2-CB 4.24Å; Y58-D60 HydrophobicContact CE2-CB 3.66Å; Y58-L65 WeakPolarHBondContact O-CA 3.47Å; Y58-I66 HydrophobicContact CD1-CB 4Å; Y58-I66 HydrophobicContact CD1-CG2 4.33Å; Y58-I66 HydrophobicContact CE1-CB 3.53Å; Y58-I66 HydrophobicContact CE1-CG1 4.44Å; Y58-I66 HydrophobicContact CE1-CG2 3.52Å; Y58-I66 HydrophobicContact CE2-CB 4.37Å; Y58-I66 PolarHBondContact N-O 3.1Å; Y58-I66 PolarHBondContact O-N 3.13Å; Y58-I68 HydrophobicContact CD1-CD1 3.96Å; Y58-I68 HydrophobicContact CD1-CG1 3.7Å; Y58-I68 HydrophobicContact CE1-CG1 4.34Å; Y58-A77 HydrophobicContact CD1-CB 3.75Å; Y58-A77 HydrophobicContact CD2-CB 4.15Å; Y58-A77 HydrophobicContact CE1-CB 3.72Å; Y58-A77 HydrophobicContact CE2-CB 4.14Å; Y58-A77 HydrophobicContact CG-CB 3.96Å; Y58-K85 CarbonylContact C-O 3.59Å; Y58-K85 VanDerWaalsContact CA-O 3.28Å; Y58-K85 WeakPolarHBondContact CA-O 3.38Å
59K95.9Very high92.2Very high74 Ų7474.9 Ų74.932%0.32238%0.382SS..EExtended strand (participates in β ladder)trans-95.5121.1169.3-155.7-178.1-165.7-154.20109.3D63 D64 L65 K85K59-D63 HydrophobicContact CD-CB 4.42Å; K59-D63 VanDerWaalsContact CD-OD1 3.24Å; K59-D63 WeakPolarHBondContact CD-OD1 3.41Å; K59-D63 VanDerWaalsContact CE-CB 3.43Å; K59-D63 WeakPolarHBondContact CE-O 2.94Å; K59-D63 WeakPolarHBondContact CE-OD1 3.29Å; K59-D63 IonicContact NZ-OD1 3.15Å; K59-D63 PolarHBondContact NZ-OD1 3.1Å; K59-D63 IonicContact NZ-OD2 2.96Å; K59-D63 PolarHBondContact NZ-OD2 3.49Å; K59-D64 VanDerWaalsContact CA-O 3.31Å; K59-D64 WeakPolarHBondContact CA-O 3.36Å; K59-L65 HydrophobicContact CB-CD2 4.37Å; K59-K85 HydrophobicContact CB-CB 4.04Å; K59-K85 HydrophobicContact CB-CD 4.21Å; K59-K85 HydrophobicContact CD-CD 4.4Å; K59-K85 PolarHBondContact N-O 2.89Å
60D94Very high92.9Very high36 Ų3672.3 Ų72.319%0.19337%0.372CS..  trans-87.7-158.4-176.267.59.5000113.2Y58 D62 D63 D64 I66Y58-D60 HydrophobicContact CD2-CB 4.24Å; Y58-D60 HydrophobicContact CE2-CB 3.66Å; D60-D62 PolarHBondContact OD1-N 3.19Å; D60-D62 VanDerWaalsContact OD1-N 3.14Å; D60-D63 PolarHBondContact OD1-N 2.81Å; D60-D63 VanDerWaalsContact OD1-N 3.15Å; D60-D64 PolarHBondContact N-O 2.92Å; D60-D64 VanDerWaalsContact N-O 3.17Å; D60-D64 PolarHBondContact OD1-N 3.31Å; D60-I66 HydrophobicContact CB-CG1 4.19Å; D60-I66 WeakPolarHBondContact OD2-CG1 3.48Å
61E92.4Very high93.5Very high172 Ų17269.9 Ų69.980%0.80436%0.355SS*.SBendtrans-78.6-30.9-179.364.8-170.1100.300113.8D63E61-D63 PolarHBondContact O-N 3.39Å
62D93.6Very high94.1Very high131 Ų13165.9 Ų65.970%0.70134%0.339SS*.SBendtrans-846.6174.7-68.7-57.9000112.5D60 D64D60-D62 PolarHBondContact OD1-N 3.19Å; D60-D62 VanDerWaalsContact OD1-N 3.14Å; D62-D64 VanDerWaalsContact C-N 3.25Å; D62-D64 PolarHBondContact O-N 2.82Å
63D92.2Very high94.5Very high88 Ų8867.1 Ų67.147%0.47135%0.346SS..SBendtrans66.121.1-177.9-96.9-21.9000114K59 D60 E61 K85K59-D63 HydrophobicContact CD-CB 4.42Å; K59-D63 VanDerWaalsContact CD-OD1 3.24Å; K59-D63 WeakPolarHBondContact CD-OD1 3.41Å; K59-D63 VanDerWaalsContact CE-CB 3.43Å; K59-D63 WeakPolarHBondContact CE-O 2.94Å; K59-D63 WeakPolarHBondContact CE-OD1 3.29Å; K59-D63 IonicContact NZ-OD1 3.15Å; K59-D63 PolarHBondContact NZ-OD1 3.1Å; K59-D63 IonicContact NZ-OD2 2.96Å; K59-D63 PolarHBondContact NZ-OD2 3.49Å; D60-D63 PolarHBondContact OD1-N 2.81Å; D60-D63 VanDerWaalsContact OD1-N 3.15Å; E61-D63 PolarHBondContact O-N 3.39Å; D63-K85 IonicContact OD1-NZ 3.97Å
64D94.8Very high94.9Very high102 Ų10261 Ų6155%0.54532%0.318SS..  trans-86.1153.2177.9-95.8-23000113K59 D60 D62 I66K59-D64 VanDerWaalsContact CA-O 3.31Å; K59-D64 WeakPolarHBondContact CA-O 3.36Å; D60-D64 PolarHBondContact N-O 2.92Å; D60-D64 VanDerWaalsContact N-O 3.17Å; D60-D64 PolarHBondContact OD1-N 3.31Å; D62-D64 VanDerWaalsContact C-N 3.25Å; D62-D64 PolarHBondContact O-N 2.82Å; D64-I66 HydrophobicContact CB-CD1 4.21Å; D64-I66 PolarHBondContact O-N 3.11Å
65L94.7Very high95Very high75 Ų7563.1 Ų63.139%0.39333%0.333SS..EExtended strand (participates in β ladder)trans-9682.5-179.3-76177.5000112.1K57 Y58 K59 F89K57-L65 HydrophobicContact CB-CB 4.45Å; K57-L65 HydrophobicContact CB-CD2 4.4Å; K57-L65 HydrophobicContact CD-CB 4.1Å; Y58-L65 WeakPolarHBondContact O-CA 3.47Å; K59-L65 HydrophobicContact CB-CD2 4.37Å; L65-F89 HydrophobicContact CD1-CZ 4.31Å
66I95.8Very high95.1Very high66 Ų6667.3 Ų67.334%0.33835%0.348SS..EExtended strand (participates in β ladder)trans-76.2137.1177.5-50.2-53.7000110.3K57 Y58 D60 D64K57-I66 CarbonylContact C-O 3.4Å; K57-I66 WeakPolarHBondContact CA-O 3.46Å; K57-I66 VanDerWaalsContact CB-O 3.28Å; K57-I66 WeakPolarHBondContact CB-O 3.17Å; Y58-I66 HydrophobicContact CD1-CB 4Å; Y58-I66 HydrophobicContact CD1-CG2 4.33Å; Y58-I66 HydrophobicContact CE1-CB 3.53Å; Y58-I66 HydrophobicContact CE1-CG1 4.44Å; Y58-I66 HydrophobicContact CE1-CG2 3.52Å; Y58-I66 HydrophobicContact CE2-CB 4.37Å; Y58-I66 PolarHBondContact N-O 3.1Å; Y58-I66 PolarHBondContact O-N 3.13Å; D60-I66 HydrophobicContact CB-CG1 4.19Å; D60-I66 WeakPolarHBondContact OD2-CG1 3.48Å; D64-I66 HydrophobicContact CB-CD1 4.21Å; D64-I66 PolarHBondContact O-N 3.11Å
67T96Very high95.1Very high26 Ų2667.3 Ų67.316%0.1635%0.348CS..EExtended strand (participates in β ladder)trans-93.3136.2-176.3-49.70000110.3T55 K57 F69T55-T67 HydrophobicContact CG2-CG2 3.74Å; K57-T67 WeakPolarHBondContact CD-OG1 3.34Å; K57-T67 WeakPolarHBondContact CE-OG1 3.24Å; K57-T67 HydrophobicContact CG-CG2 4.28Å; K57-T67 PolarHBondContact NZ-OG1 3.19Å; T67-F69 HydrophobicContact CG2-CD1 4.34Å; T67-F69 HydrophobicContact CG2-CD2 4.14Å; T67-F69 HydrophobicContact CG2-CE1 3.87Å; T67-F69 HydrophobicContact CG2-CE2 3.66Å; T67-F69 HydrophobicContact CG2-CG 4.47Å; T67-F69 HydrophobicContact CG2-CZ 3.51Å
68I96.7Very high94.9Very high0 Ų065.2 Ų65.20%034%0.34CS..EExtended strand (participates in β ladder)trans-97.6115.8174.6-53.2-178000107.1Y33 I56 Y58 D70 D73 L74 A77 L86Y33-I68 HydrophobicContact CD2-CB 4.44Å; Y33-I68 HydrophobicContact CD2-CG2 3.55Å; Y33-I68 HydrophobicContact CE2-CB 4.11Å; Y33-I68 HydrophobicContact CE2-CG2 3.71Å; Y33-I68 WeakPolarHBondContact CE2-O 3.47Å; I56-I68 HydrophobicContact CG2-CD1 4.14Å; I56-I68 PolarHBondContact O-N 3.18Å; Y58-I68 HydrophobicContact CD1-CD1 3.96Å; Y58-I68 HydrophobicContact CD1-CG1 3.7Å; Y58-I68 HydrophobicContact CE1-CG1 4.34Å; I68-D70 WeakPolarHBondContact CG2-O 3.46Å; I68-D73 HydrophobicContact CB-CB 4.33Å; I68-D73 HydrophobicContact CG2-CB 3.79Å; I68-L74 HydrophobicContact CD1-CD1 4.16Å; I68-L74 HydrophobicContact CG2-CB 3.88Å; I68-A77 HydrophobicContact CD1-CB 4.38Å; I68-L86 HydrophobicContact CD1-CD2 4.17Å
69F95.9Very high94.7Very high152 Ų15271.7 Ų71.767%0.66737%0.371SS*.  trans-103.5-30.4178.1-67.7-79.4000113T67 D73T67-F69 HydrophobicContact CG2-CD1 4.34Å; T67-F69 HydrophobicContact CG2-CD2 4.14Å; T67-F69 HydrophobicContact CG2-CE1 3.87Å; T67-F69 HydrophobicContact CG2-CE2 3.66Å; T67-F69 HydrophobicContact CG2-CG 4.47Å; T67-F69 HydrophobicContact CG2-CZ 3.51Å; F69-D73 WeakPolarHBondContact CB-OD2 3.42Å; F69-D73 PolarHBondContact N-OD2 2.75Å
70D96.3Very high94.5Very high67 Ų6771.2 Ų71.236%0.35838%0.376SS..SBendtrans-138.6-173.8-177.785.2-18.7000113.1I68 S72 D73 L74I68-D70 WeakPolarHBondContact CG2-O 3.46Å; D70-S72 VanDerWaalsContact C-N 3.3Å; D70-S72 VanDerWaalsContact CG-N 3.31Å; D70-S72 VanDerWaalsContact OD1-CA 3.31Å; D70-S72 WeakPolarHBondContact OD1-CA 3.17Å; D70-S72 WeakPolarHBondContact OD1-CB 3.32Å; D70-S72 PolarHBondContact OD1-N 2.7Å; D70-S72 PolarHBondContact OD1-OG 3.49Å; D70-S72 VanDerWaalsContact OD2-CB 3.28Å; D70-S72 WeakPolarHBondContact OD2-CB 3.4Å; D70-S72 PolarHBondContact OD2-OG 2.68Å; D70-D73 PolarHBondContact N-OD2 2.7Å; D70-D73 PolarHBondContact OD1-N 3.37Å; D70-L74 PolarHBondContact O-N 2.79Å
71S95.7Very high94.3Very high42 Ų4271.8 Ų71.829%0.29438%0.383SS..Hα-helixtrans-76-16.6177.2-61.20000113.3Y33 S75Y33-S71 PolarHBondContact N-OG 3.49Å; S71-S75 WeakPolarHBondContact O-CB 3.35Å; S71-S75 PolarHBondContact O-N 2.94Å; S71-S75 PolarHBondContact O-OG 3.01Å
72S96Very high94.2Very high77 Ų7768 Ų6854%0.53836%0.361SS..Hα-helixtrans-72.6-49.4175.5-41.60000109.9D70 L74 S75 F76D70-S72 VanDerWaalsContact C-N 3.3Å; D70-S72 VanDerWaalsContact CG-N 3.31Å; D70-S72 VanDerWaalsContact OD1-CA 3.31Å; D70-S72 WeakPolarHBondContact OD1-CA 3.17Å; D70-S72 WeakPolarHBondContact OD1-CB 3.32Å; D70-S72 PolarHBondContact OD1-N 2.7Å; D70-S72 PolarHBondContact OD1-OG 3.49Å; D70-S72 VanDerWaalsContact OD2-CB 3.28Å; D70-S72 WeakPolarHBondContact OD2-CB 3.4Å; D70-S72 PolarHBondContact OD2-OG 2.68Å; S72-L74 VanDerWaalsContact C-N 3.29Å; S72-L74 PolarHBondContact O-N 3.29Å; S72-S75 PolarHBondContact O-N 3.36Å; S72-F76 PolarHBondContact O-N 3.27Å
73D96.1Very high94.2Very high59 Ų5964.2 Ų64.232%0.31634%0.34SS..Hα-helixtrans-57.3-43.3173.3-67.2-27.1000111I68 F69 D70 F76 A77I68-D73 HydrophobicContact CB-CB 4.33Å; I68-D73 HydrophobicContact CG2-CB 3.79Å; F69-D73 WeakPolarHBondContact CB-OD2 3.42Å; F69-D73 PolarHBondContact N-OD2 2.75Å; D70-D73 PolarHBondContact N-OD2 2.7Å; D70-D73 PolarHBondContact OD1-N 3.37Å; D73-F76 PolarHBondContact O-N 2.81Å; D73-A77 WeakPolarHBondContact O-CB 3.4Å; D73-A77 PolarHBondContact O-N 2.91Å
74L95.4Very high94.3Very high1 Ų160.2 Ų60.21%0.00532%0.319CS..Hα-helixtrans-63.7-45.6177.8178.554.9000111.6I31 L36 I68 D70 S72 F76 A77 I78 L84I31-L74 WeakPolarHBondContact O-CD2 3.48Å; L36-L74 HydrophobicContact CB-CD2 4.14Å; L36-L74 HydrophobicContact CD2-CD1 3.65Å; L36-L74 HydrophobicContact CD2-CD2 3.9Å; L36-L74 HydrophobicContact CD2-CG 4.42Å; I68-L74 HydrophobicContact CD1-CD1 4.16Å; I68-L74 HydrophobicContact CG2-CB 3.88Å; D70-L74 PolarHBondContact O-N 2.79Å; S72-L74 VanDerWaalsContact C-N 3.29Å; S72-L74 PolarHBondContact O-N 3.29Å; L74-F76 VanDerWaalsContact C-N 3.3Å; L74-F76 PolarHBondContact O-N 3.29Å; L74-A77 PolarHBondContact O-N 3.07Å; L74-I78 HydrophobicContact CD1-CD1 4Å; L74-I78 HydrophobicContact CD1-CG1 4.24Å; L74-I78 HydrophobicContact CG-CD1 3.98Å; L74-I78 VanDerWaalsContact O-CG1 3.27Å; L74-I78 WeakPolarHBondContact O-CG1 3.39Å; L74-I78 PolarHBondContact O-N 3.25Å; L74-L84 HydrophobicContact CD1-CD1 4.32Å
75S93.9Very high94.4Very high57 Ų5760 Ų6040%0.39931%0.313SS..Hα-helixtrans-61-40.5177.1-610000111.5S71 S72 I78 Q79S71-S75 WeakPolarHBondContact O-CB 3.35Å; S71-S75 PolarHBondContact O-N 2.94Å; S71-S75 PolarHBondContact O-OG 3.01Å; S72-S75 PolarHBondContact O-N 3.36Å; S75-I78 PolarHBondContact O-N 3.45Å; S75-Q79 VanDerWaalsContact O-CG 3.3Å; S75-Q79 WeakPolarHBondContact O-CG 3.21Å; S75-Q79 PolarHBondContact O-N 3.32Å; S75-Q79 VanDerWaalsContact O-N 3.15Å
76F94.2Very high94.5Very high117 Ų11756.5 Ų56.551%0.51330%0.295SS..Hα-helixtrans-64.5-47.6175.3-176.1-103.3000111.8S72 D73 L74 I78 Q79 C80S72-F76 PolarHBondContact O-N 3.27Å; D73-F76 PolarHBondContact O-N 2.81Å; L74-F76 VanDerWaalsContact C-N 3.3Å; L74-F76 PolarHBondContact O-N 3.29Å; F76-I78 VanDerWaalsContact C-N 3.31Å; F76-I78 PolarHBondContact O-N 3.33Å; F76-Q79 WeakPolarHBondContact O-CA 3.38Å; F76-Q79 WeakPolarHBondContact O-CB 3.37Å; F76-Q79 PolarHBondContact O-N 2.94Å; F76-C80 PolarHBondContact O-N 3.12Å; F76-C80 PolarHBondContact O-SG 3.39Å; F76-C80 VanDerWaalsContact O-SG 3.39Å
77A94.5Very high94.5Very high0 Ų054.8 Ų54.80%029%0.288CS..Hα-helixtrans-57-43.7176.500000112.2Y58 I68 D73 L74 Q79 C80 S81 L84Y58-A77 HydrophobicContact CD1-CB 3.75Å; Y58-A77 HydrophobicContact CD2-CB 4.15Å; Y58-A77 HydrophobicContact CE1-CB 3.72Å; Y58-A77 HydrophobicContact CE2-CB 4.14Å; Y58-A77 HydrophobicContact CG-CB 3.96Å; I68-A77 HydrophobicContact CD1-CB 4.38Å; D73-A77 WeakPolarHBondContact O-CB 3.4Å; D73-A77 PolarHBondContact O-N 2.91Å; L74-A77 PolarHBondContact O-N 3.07Å; A77-Q79 VanDerWaalsContact C-N 3.27Å; A77-Q79 PolarHBondContact O-N 3.48Å; A77-C80 WeakPolarHBondContact O-CB 3.43Å; A77-C80 PolarHBondContact O-N 3.29Å; A77-S81 PolarHBondContact O-N 3.32Å; A77-L84 HydrophobicContact CB-CD2 4Å; A77-L84 WeakPolarHBondContact O-CD2 3.46Å
78I92.8Very high94.4Very high13 Ų1354 Ų547%0.06728%0.282CS..Hα-helixtrans-61.3-35176.4-67.8166.1000111.5L11 I31 L74 S75 F76 S81 R82 L84L11-I78 HydrophobicContact CD1-CG1 4.15Å; L11-I78 HydrophobicContact CD1-CG2 4.42Å; L11-I78 HydrophobicContact CD2-CD1 3.86Å; L11-I78 HydrophobicContact CD2-CG1 3.99Å; I31-I78 HydrophobicContact CG2-CD1 3.97Å; L74-I78 HydrophobicContact CD1-CD1 4Å; L74-I78 HydrophobicContact CD1-CG1 4.24Å; L74-I78 HydrophobicContact CG-CD1 3.98Å; L74-I78 VanDerWaalsContact O-CG1 3.27Å; L74-I78 WeakPolarHBondContact O-CG1 3.39Å; L74-I78 PolarHBondContact O-N 3.25Å; S75-I78 PolarHBondContact O-N 3.45Å; F76-I78 VanDerWaalsContact C-N 3.31Å; F76-I78 PolarHBondContact O-N 3.33Å; I78-S81 CarbonylContact O-C 3.38Å; I78-R82 WeakPolarHBondContact O-CD 3.28Å; I78-L84 HydrophobicContact CG1-CD1 3.86Å
79Q91.4Very high94.1Very high151 Ų15155.6 Ų55.671%0.70629%0.289SS*.Hα-helixtrans-70.1-40.8175.4-69.9168.434.200112S75 F76 A77 S81S75-Q79 VanDerWaalsContact O-CG 3.3Å; S75-Q79 WeakPolarHBondContact O-CG 3.21Å; S75-Q79 PolarHBondContact O-N 3.32Å; S75-Q79 VanDerWaalsContact O-N 3.15Å; F76-Q79 WeakPolarHBondContact O-CA 3.38Å; F76-Q79 WeakPolarHBondContact O-CB 3.37Å; F76-Q79 PolarHBondContact O-N 2.94Å; A77-Q79 VanDerWaalsContact C-N 3.27Å; A77-Q79 PolarHBondContact O-N 3.48Å; Q79-S81 VanDerWaalsContact C-N 3.35Å; Q79-S81 PolarHBondContact O-N 2.78Å
80C91.1Very high93.7Very high64 Ų6448.8 Ų48.843%0.43226%0.26SS..Hα-helixtrans-61.4-40.6173.8-62.10000112.1F76 A77F76-C80 PolarHBondContact O-N 3.12Å; F76-C80 PolarHBondContact O-SG 3.39Å; F76-C80 VanDerWaalsContact O-SG 3.39Å; A77-C80 WeakPolarHBondContact O-CB 3.43Å; A77-C80 PolarHBondContact O-N 3.29Å
81S89.9Confident93Very high48 Ų4849.9 Ų49.934%0.33627%0.266SS..  trans-153.6129.9179.6179.30000114.1A77 I78 Q79 I83 L84A77-S81 PolarHBondContact O-N 3.32Å; I78-S81 CarbonylContact O-C 3.38Å; Q79-S81 VanDerWaalsContact C-N 3.35Å; Q79-S81 PolarHBondContact O-N 2.78Å; S81-I83 PolarHBondContact O-N 2.88Å; S81-I83 VanDerWaalsContact OG-C 3.28Å; S81-I83 PolarHBondContact OG-N 2.83Å; S81-I83 PolarHBondContact OG-O 2.87Å; S81-L84 WeakPolarHBondContact O-CD2 3.43Å
82R91Very high91.5Very high91 Ų9150.6 Ų50.634%0.34328%0.28SS..SBendtrans-71.4-7.8167.8-55.7-44.4-156.6120.110.8113.8L7 I12 E29 I78L7-R82 HydrophobicContact CB-CB 4.42Å; L7-R82 HydrophobicContact CD1-CB 4.39Å; I12-R82 PolarHBondContact N-O 3.19Å; E29-R82 IonicContact OE1-CZ 2.79Å; E29-R82 IonicContact OE1-NH1 2.73Å; E29-R82 PolarHBondContact OE1-NH1 2.83Å; E29-R82 IonicContact OE1-NH2 2.64Å; E29-R82 PolarHBondContact OE1-NH2 3.34Å; I78-R82 WeakPolarHBondContact O-CD 3.28Å
83I93.3Very high89.6Confident52 Ų5253.5 Ų53.527%0.26729%0.285SS..EExtended strand (participates in β ladder)trans-117.195.6167.8-52.6-176.8000109.1L7 I12 K14 S81L7-I83 HydrophobicContact CD1-CD1 3.89Å; L7-I83 HydrophobicContact CD1-CG1 3.78Å; I12-I83 HydrophobicContact CB-CG1 4.36Å; I12-I83 CarbonylContact O-C 3.59Å; I12-I83 VanDerWaalsContact O-CA 3.3Å; I12-I83 WeakPolarHBondContact O-CA 3.26Å; K14-I83 HydrophobicContact CD-CG2 4.21Å; K14-I83 HydrophobicContact CG-CG2 4.42Å; S81-I83 PolarHBondContact O-N 2.88Å; S81-I83 VanDerWaalsContact OG-C 3.28Å; S81-I83 PolarHBondContact OG-N 2.83Å; S81-I83 PolarHBondContact OG-O 2.87Å
84L94.9Very high87.6Confident4 Ų454.5 Ų54.52%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-80.2123.7176.8-65-177.3000110.7L11 I12 K14 L74 A77 I78 S81 L86L11-L84 HydrophobicContact CD1-CD1 4.1Å; L11-L84 HydrophobicContact CD1-CG 4.03Å; I12-L84 PolarHBondContact O-N 2.9Å; K14-L84 PolarHBondContact N-O 2.76Å; L74-L84 HydrophobicContact CD1-CD1 4.32Å; A77-L84 HydrophobicContact CB-CD2 4Å; A77-L84 WeakPolarHBondContact O-CD2 3.46Å; I78-L84 HydrophobicContact CG1-CD1 3.86Å; S81-L84 WeakPolarHBondContact O-CD2 3.43Å; L84-L86 HydrophobicContact CB-CD2 4.03Å; L84-L86 HydrophobicContact CB-CG 4.21Å; L84-L86 HydrophobicContact CD1-CD2 4.45Å
85K96.7Very high85.8Confident99 Ų9960.3 Ų60.343%0.4332%0.317SS..EExtended strand (participates in β ladder)trans-91.9104.7165.9-59167.9-167.3156.10106.7Y58 K59 D63Y58-K85 CarbonylContact C-O 3.59Å; Y58-K85 VanDerWaalsContact CA-O 3.28Å; Y58-K85 WeakPolarHBondContact CA-O 3.38Å; K59-K85 HydrophobicContact CB-CB 4.04Å; K59-K85 HydrophobicContact CB-CD 4.21Å; K59-K85 HydrophobicContact CD-CD 4.4Å; K59-K85 PolarHBondContact N-O 2.89Å; D63-K85 IonicContact OD1-NZ 3.97Å
86L96.6Very high83.8Confident1 Ų162.3 Ų62.31%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-103.3138.1-179.6-57.3-175.4000111.1I13 K14 A15 Q16 L36 M40 I56 K57 I68 L84I13-L86 HydrophobicContact CD1-CD1 4.48Å; I13-L86 HydrophobicContact CG2-CD1 3.51Å; I13-L86 HydrophobicContact CG2-CG 3.91Å; K14-L86 PolarHBondContact O-N 3.48Å; A15-L86 CarbonylContact C-O 3.48Å; A15-L86 WeakPolarHBondContact CA-O 3.3Å; A15-L86 HydrophobicContact CB-CB 4.48Å; Q16-L86 PolarHBondContact N-O 3.31Å; L36-L86 HydrophobicContact CD1-CD1 4.18Å; L36-L86 HydrophobicContact CD2-CD1 4.13Å; M40-L86 HydrophobicContact CE-CD1 4.18Å; I56-L86 HydrophobicContact CG2-CB 4.38Å; I56-L86 HydrophobicContact CG2-CD1 3.99Å; I56-L86 HydrophobicContact CG2-CD2 4.15Å; I56-L86 HydrophobicContact CG2-CG 4.41Å; K57-L86 CarbonylContact O-C 3.53Å; K57-L86 VanDerWaalsContact O-CA 3.24Å; K57-L86 WeakPolarHBondContact O-CA 3.34Å; I68-L86 HydrophobicContact CD1-CD2 4.17Å; L84-L86 HydrophobicContact CB-CD2 4.03Å; L84-L86 HydrophobicContact CB-CG 4.21Å; L84-L86 HydrophobicContact CD1-CD2 4.45Å
87T95.3Very high81.8Confident30 Ų3061.7 Ų61.718%0.18433%0.329CS..EExtended strand (participates in β ladder)trans-115.3126.2171-53.80000108.6K57 F89K57-T87 PolarHBondContact N-O 3.11Å; K57-T87 PolarHBondContact O-N 2.88Å; T87-F89 HydrophobicContact CG2-CD2 4.36Å; T87-F89 HydrophobicContact CG2-CE2 3.51Å; T87-F89 HydrophobicContact CG2-CZ 3.62Å; T87-F89 WeakPolarHBondContact O-CD2 3.21Å; T87-F89 WeakPolarHBondContact O-CE2 3.47Å
88L93.8Very high80Confident8 Ų864.5 Ų64.54%0.04234%0.343CS..EExtended strand (participates in β ladder)trans-101126.8-176.7-55.1-179000110.7Q16 L17 M40 F44 L48 V54 I56Q16-L88 PolarHBondContact O-N 2.85Å; L17-L88 HydrophobicContact CB-CB 4.49Å; L17-L88 HydrophobicContact CB-CD1 4.43Å; L17-L88 HydrophobicContact CD1-CB 3.94Å; M40-L88 HydrophobicContact CB-CD1 3.9Å; M40-L88 HydrophobicContact CB-CD2 4.4Å; M40-L88 HydrophobicContact CG-CD1 3.96Å; M40-L88 HydrophobicContact CG-CD2 3.88Å; M40-L88 HydrophobicContact SD-CD1 3.85Å; M40-L88 HydrophobicContact SD-CD2 4.25Å; F44-L88 HydrophobicContact CD2-CD1 3.65Å; F44-L88 HydrophobicContact CE2-CD1 3.53Å; F44-L88 HydrophobicContact CZ-CD1 4.47Å; L48-L88 HydrophobicContact CD1-CD1 4.47Å; V54-L88 HydrophobicContact CG1-CD2 4.24Å; I56-L88 HydrophobicContact CB-CD2 4.4Å; I56-L88 HydrophobicContact CD1-CD2 4.4Å; I56-L88 HydrophobicContact CG1-CD2 3.88Å; I56-L88 HydrophobicContact CG2-CD2 4.2Å
89F90.6Very high78.3Confident35 Ų3565.9 Ų65.915%0.15435%0.354CS..EExtended strand (participates in β ladder)trans-111.9151.1175.4-56.1-105.4000108.4V54 T55 K57 L65 T87 P94V54-F89 WeakPolarHBondContact CA-O 3.49Å; T55-F89 PolarHBondContact N-O 3.37Å; T55-F89 PolarHBondContact O-N 3.15Å; K57-F89 HydrophobicContact CB-CE2 3.95Å; K57-F89 HydrophobicContact CD-CD2 4.22Å; K57-F89 HydrophobicContact CD-CE2 3.66Å; K57-F89 HydrophobicContact CD-CZ 4.14Å; K57-F89 HydrophobicContact CG-CD2 3.92Å; K57-F89 HydrophobicContact CG-CE2 3.61Å; L65-F89 HydrophobicContact CD1-CZ 4.31Å; T87-F89 HydrophobicContact CG2-CD2 4.36Å; T87-F89 HydrophobicContact CG2-CE2 3.51Å; T87-F89 HydrophobicContact CG2-CZ 3.62Å; T87-F89 WeakPolarHBondContact O-CD2 3.21Å; T87-F89 WeakPolarHBondContact O-CE2 3.47Å; F89-P94 HydrophobicContact CD1-CB 3.89Å; F89-P94 HydrophobicContact CE1-CB 3.92Å
90V88.9Confident77Confident9 Ų962.4 Ų62.46%0.05535%0.346CS..EExtended strand (participates in β ladder)trans-130125.4-172.9-176.30000109.9L17 L48 D52 E53 G92 Q93L17-V90 HydrophobicContact CD1-CG2 3.96Å; L48-V90 HydrophobicContact CD2-CG2 3.42Å; L48-V90 VanDerWaalsContact CD2-CG2 3.42Å; D52-V90 HydrophobicContact CB-CG1 3.86Å; E53-V90 CarbonylContact O-C 3.54Å; E53-V90 WeakPolarHBondContact O-CA 3.33Å; V90-G92 VanDerWaalsContact C-N 3.3Å; V90-G92 PolarHBondContact O-N 2.91Å; V90-Q93 PolarHBondContact N-O 2.94Å; V90-Q93 PolarHBondContact O-N 3.34Å
91N80.7Confident75.5Confident90 Ų9066.8 Ų66.848%0.48136%0.36SS..THydrogen-bonded Turntrans55.243.3-175.6-51.3-30.6000112.2E53 Q93E53-N91 PolarHBondContact N-OD1 3.3Å; E53-N91 VanDerWaalsContact N-OD1 3.07Å; E53-N91 PolarHBondContact O-N 3.37Å; N91-Q93 PolarHBondContact O-N 2.96Å
92G64.4Low74.7Confident57 Ų5767.2 Ų67.259%0.58836%0.36SS*.THydrogen-bonded Turntrans65.6-13.3-178.400000116.1V90V90-G92 VanDerWaalsContact C-N 3.3Å; V90-G92 PolarHBondContact O-N 2.91Å
93Q55.5Low74.1Confident137 Ų13767.3 Ų67.364%0.6436%0.363SS*.BIsolated β-bridgetrans-83.2129.6179.3-69.7-83.7-36.400109.7V90 N91 R95V90-Q93 PolarHBondContact N-O 2.94Å; V90-Q93 PolarHBondContact O-N 3.34Å; N91-Q93 PolarHBondContact O-N 2.96Å; Q93-R95 VanDerWaalsContact C-N 3.26Å; Q93-R95 PolarHBondContact O-N 3.18Å
94P54.9Low73.4Confident80 Ų8072.1 Ų72.152%0.51938%0.379SS..  trans-62.497.2156.228-31.1000107.2F89 P96F89-P94 HydrophobicContact CD1-CB 3.89Å; F89-P94 HydrophobicContact CE1-CB 3.92Å; P94-P96 WeakPolarHBondContact O-CD 3.42Å
95R57.8Low72.9Confident124 Ų12476.4 Ų76.447%0.46840%0.402SS..  trans-51.5112.8171-164.4-173.9-59.7-137.68.3105.3Q93 L97Q93-R95 VanDerWaalsContact C-N 3.26Å; Q93-R95 PolarHBondContact O-N 3.18Å; R95-L97 PolarHBondContact O-N 3.49Å; R95-L97 VanDerWaalsContact O-N 3.15Å
96P50.8Low72.3Confident98 Ų9879 Ų7964%0.63641%0.409SS*.  trans-54129.7-165.5-31.136.4000109.6P94 E98P94-P96 WeakPolarHBondContact O-CD 3.42Å; P96-E98 PolarHBondContact O-N 2.96Å
97L53.6Low71.9Confident104 Ų10486.4 Ų86.455%0.54544%0.436SS..  trans-63.288.7163.6-74161.8000105.2G18 R95 S99G18-L97 VanDerWaalsContact C-CD2 3.46Å; G18-L97 WeakPolarHBondContact O-CD2 3.37Å; R95-L97 PolarHBondContact O-N 3.49Å; R95-L97 VanDerWaalsContact O-N 3.15Å; L97-S99 PolarHBondContact O-N 3.48Å
98E55.1Low71.8Confident59 Ų5991 Ų9128%0.27646%0.456SS..  trans-65.470.4168.8-80.9-93.8153.800106.7P96 V102 K103P96-E98 PolarHBondContact O-N 2.96Å; E98-V102 WeakPolarHBondContact OE1-CG1 3.48Å; E98-K103 HydrophobicContact CB-CG 4.3Å; E98-K103 WeakPolarHBondContact O-CE 3.31Å; E98-K103 PolarHBondContact O-NZ 2.96Å
99S58.4Low71.8Confident43 Ų4395.5 Ų95.530%0.30148%0.479SS..  trans-52.2152.2174.1720000107.7L97 Q101 V102 K103L97-S99 PolarHBondContact O-N 3.48Å; S99-Q101 CarbonylContact O-C 3.59Å; S99-Q101 PolarHBondContact O-N 3.44Å; S99-V102 PolarHBondContact O-N 2.93Å; S99-K103 PolarHBondContact O-N 2.86Å
100S63.3Low71.8Confident77 Ų7797.8 Ų97.854%0.53849%0.493SS..Hα-helixtrans-51.7-30.6-179-53.60000111.9K103 Y104S100-K103 PolarHBondContact O-N 3.49Å; S100-Y104 WeakPolarHBondContact O-CD2 3.38Å; S100-Y104 PolarHBondContact O-N 3.38Å
101Q59.3Low72.1Confident156 Ų156103.1 Ų103.173%0.72952%0.517SS*.Hα-helixtrans-60-45.3172.4-59.4173.5-0.200113.4S99 K103 Y104 L105S99-Q101 CarbonylContact O-C 3.59Å; S99-Q101 PolarHBondContact O-N 3.44Å; Q101-K103 VanDerWaalsContact C-N 3.33Å; Q101-K103 PolarHBondContact O-N 2.83Å; Q101-Y104 PolarHBondContact O-N 2.98Å; Q101-L105 VanDerWaalsContact O-CB 3.29Å; Q101-L105 WeakPolarHBondContact O-CB 3.31Å; Q101-L105 PolarHBondContact O-N 3.38Å
102V74.5Confident72.8Confident57 Ų57103.6 Ų103.635%0.34552%0.519SS..Hα-helixtrans-64.8-39.2175.5-178.10000110.8E98 S99 Y104 L105 R106E98-V102 WeakPolarHBondContact OE1-CG1 3.48Å; S99-V102 PolarHBondContact O-N 2.93Å; V102-Y104 PolarHBondContact O-N 3.46Å; V102-L105 PolarHBondContact O-N 2.83Å; V102-R106 WeakPolarHBondContact O-CB 3.3Å; V102-R106 PolarHBondContact O-N 2.88Å
103K76.7Confident74.3Confident93 Ų93108.2 Ų108.240%0.40452%0.519SS..Hα-helixtrans-64-39.2175.7-63.6171.7178.9128.10112D19 E98 S99 S100 Q101 R107D19-K103 IonicContact OD2-NZ 2.7Å; D19-K103 PolarHBondContact OD2-NZ 3.46Å; E98-K103 HydrophobicContact CB-CG 4.3Å; E98-K103 WeakPolarHBondContact O-CE 3.31Å; E98-K103 PolarHBondContact O-NZ 2.96Å; S99-K103 PolarHBondContact O-N 2.86Å; S100-K103 PolarHBondContact O-N 3.49Å; Q101-K103 VanDerWaalsContact C-N 3.33Å; Q101-K103 PolarHBondContact O-N 2.83Å; K103-R107 PolarHBondContact O-N 2.84Å
104Y80.4Confident76Confident154 Ų154104.8 Ų104.860%0.60450%0.504SS*.Hα-helixtrans-68.6-49172.6-73.1-60.7000111.9S100 Q101 V102 R106 R107 E108S100-Y104 WeakPolarHBondContact O-CD2 3.38Å; S100-Y104 PolarHBondContact O-N 3.38Å; Q101-Y104 PolarHBondContact O-N 2.98Å; V102-Y104 PolarHBondContact O-N 3.46Å; Y104-R106 VanDerWaalsContact C-N 3.3Å; Y104-R106 PolarHBondContact O-N 3.32Å; Y104-R107 WeakPolarHBondContact O-CA 3.32Å; Y104-R107 WeakPolarHBondContact O-CB 3.49Å; Y104-R107 PolarHBondContact O-N 2.94Å; Y104-E108 PolarHBondContact O-N 3.21Å
105L83.1Confident77.9Confident93 Ų93107.8 Ų107.849%0.48751%0.509SS..Hα-helixtrans-60.3-39.5179.5-175.963.8000111.7Q101 V102 R107 E108 L109Q101-L105 VanDerWaalsContact O-CB 3.29Å; Q101-L105 WeakPolarHBondContact O-CB 3.31Å; Q101-L105 PolarHBondContact O-N 3.38Å; V102-L105 PolarHBondContact O-N 2.83Å; L105-R107 VanDerWaalsContact C-N 3.33Å; L105-R107 PolarHBondContact O-N 2.94Å; L105-E108 PolarHBondContact O-N 3.2Å; L105-L109 HydrophobicContact CD1-CD1 4.47Å; L105-L109 HydrophobicContact CD1-CG 4.41Å; L105-L109 HydrophobicContact CG-CD1 4.07Å; L105-L109 HydrophobicContact CG-CG 4.44Å; L105-L109 WeakPolarHBondContact O-CB 3.4Å; L105-L109 VanDerWaalsContact O-CG 3.24Å; L105-L109 WeakPolarHBondContact O-CG 3.42Å; L105-L109 PolarHBondContact O-N 2.88Å
106R84Confident79.7Confident155 Ų155105.2 Ų105.259%0.58551%0.507SS*.Hα-helixtrans-62.9-38.1174.1-175.6174.4-179.1160.71.7112.2V102 Y104 I110V102-R106 WeakPolarHBondContact O-CB 3.3Å; V102-R106 PolarHBondContact O-N 2.88Å; Y104-R106 VanDerWaalsContact C-N 3.3Å; Y104-R106 PolarHBondContact O-N 3.32Å; R106-I110 HydrophobicContact CG-CD1 4.25Å; R106-I110 VanDerWaalsContact O-CD1 3.32Å; R106-I110 WeakPolarHBondContact O-CD1 3.39Å; R106-I110 WeakPolarHBondContact O-CG1 3.35Å; R106-I110 PolarHBondContact O-N 2.77Å; R106-I110 VanDerWaalsContact O-N 3.16Å
107R88.9Confident81.5Confident155 Ų155103.5 Ų103.559%0.58549%0.493SS*.Hα-helixtrans-67-47.2173.2-177.4-178.7-62.3176.60.3111K103 Y104 L105 L109 I110 E111K103-R107 PolarHBondContact O-N 2.84Å; Y104-R107 WeakPolarHBondContact O-CA 3.32Å; Y104-R107 WeakPolarHBondContact O-CB 3.49Å; Y104-R107 PolarHBondContact O-N 2.94Å; L105-R107 VanDerWaalsContact C-N 3.33Å; L105-R107 PolarHBondContact O-N 2.94Å; R107-L109 VanDerWaalsContact C-N 3.34Å; R107-L109 PolarHBondContact O-N 2.87Å; R107-I110 WeakPolarHBondContact O-CB 3.5Å; R107-I110 PolarHBondContact O-N 2.77Å; R107-I110 VanDerWaalsContact O-N 3.11Å; R107-E111 WeakPolarHBondContact CG-OE1 3.24Å; R107-E111 PolarHBondContact O-N 2.84Å
108E92.2Very high83.3Confident128 Ų128103.8 Ų103.860%0.59850%0.495SS*.Hα-helixtrans-60.8-41.9179.5-166.3-177.7122.400111.8Y104 L105 I110 E111 L112Y104-E108 PolarHBondContact O-N 3.21Å; L105-E108 PolarHBondContact O-N 3.2Å; E108-I110 PolarHBondContact O-N 2.99Å; E108-E111 PolarHBondContact O-N 2.79Å; E108-L112 VanDerWaalsContact O-CB 3.3Å; E108-L112 WeakPolarHBondContact O-CB 3.33Å; E108-L112 PolarHBondContact O-N 3.5Å
109L94.1Very high84.9Confident101 Ų101105.7 Ų105.753%0.52951%0.507SS..Hα-helixtrans-65.6-34.9174.1-72.2170.3000112.8L105 R107 R113L105-L109 HydrophobicContact CD1-CD1 4.47Å; L105-L109 HydrophobicContact CD1-CG 4.41Å; L105-L109 HydrophobicContact CG-CD1 4.07Å; L105-L109 HydrophobicContact CG-CG 4.44Å; L105-L109 WeakPolarHBondContact O-CB 3.4Å; L105-L109 VanDerWaalsContact O-CG 3.24Å; L105-L109 WeakPolarHBondContact O-CG 3.42Å; L105-L109 PolarHBondContact O-N 2.88Å; R107-L109 VanDerWaalsContact C-N 3.34Å; R107-L109 PolarHBondContact O-N 2.87Å; L109-R113 WeakPolarHBondContact O-CB 3.36Å; L109-R113 PolarHBondContact O-N 3.22Å
110I91.8Very high86.3Confident84 Ų84108.8 Ų108.843%0.43152%0.519SS..Hα-helixtrans-68.7-43.5173-71.4163.1000110.6R106 R107 E108 R113 N114R106-I110 HydrophobicContact CG-CD1 4.25Å; R106-I110 VanDerWaalsContact O-CD1 3.32Å; R106-I110 WeakPolarHBondContact O-CD1 3.39Å; R106-I110 WeakPolarHBondContact O-CG1 3.35Å; R106-I110 PolarHBondContact O-N 2.77Å; R106-I110 VanDerWaalsContact O-N 3.16Å; R107-I110 WeakPolarHBondContact O-CB 3.5Å; R107-I110 PolarHBondContact O-N 2.77Å; R107-I110 VanDerWaalsContact O-N 3.11Å; E108-I110 PolarHBondContact O-N 2.99Å; I110-R113 PolarHBondContact O-N 3.42Å; I110-N114 WeakPolarHBondContact O-CB 3.24Å; I110-N114 PolarHBondContact O-N 3.44Å; I110-N114 PolarHBondContact O-ND2 3.46Å; I110-N114 PolarHBondContact O-OD1 3.05Å
111E94.2Very high87.3Confident121 Ų121111 Ų11157%0.56553%0.525SS*.Hα-helixtrans-64.1-42.4175.9-74.4177.3-161.600111.6R107 E108 N114 K115R107-E111 WeakPolarHBondContact CG-OE1 3.24Å; R107-E111 PolarHBondContact O-N 2.84Å; E108-E111 PolarHBondContact O-N 2.79Å; E111-N114 PolarHBondContact O-N 3.34Å; E111-K115 VanDerWaalsContact O-CB 3.29Å; E111-K115 WeakPolarHBondContact O-CB 3.28Å; E111-K115 PolarHBondContact O-N 2.92Å
112L96.1Very high88.3Confident100 Ų100107.7 Ų107.752%0.52452%0.519SS..Hα-helixtrans-62.7-47.4174.4-17666000111.3E108 N114 K115 V116E108-L112 VanDerWaalsContact O-CB 3.3Å; E108-L112 WeakPolarHBondContact O-CB 3.33Å; E108-L112 PolarHBondContact O-N 3.5Å; L112-N114 VanDerWaalsContact C-N 3.33Å; L112-N114 PolarHBondContact O-N 3.28Å; L112-K115 PolarHBondContact O-N 2.71Å; L112-V116 WeakPolarHBondContact O-CB 3.31Å; L112-V116 WeakPolarHBondContact O-CG2 2.99Å; L112-V116 PolarHBondContact O-N 3.03Å
113R95.4Very high88.5Confident154 Ų154111.3 Ų111.358%0.58154%0.536SS*.Hα-helixtrans-57.1-45.9174.3178.7-132.6178.4-138.33.4111.2L109 I110 K115 V116 N117L109-R113 WeakPolarHBondContact O-CB 3.36Å; L109-R113 PolarHBondContact O-N 3.22Å; I110-R113 PolarHBondContact O-N 3.42Å; R113-K115 VanDerWaalsContact C-N 3.33Å; R113-K115 PolarHBondContact O-N 2.85Å; R113-V116 PolarHBondContact O-N 3.35Å; R113-N117 WeakPolarHBondContact O-CB 2.87Å; R113-N117 PolarHBondContact O-N 3.01Å; R113-N117 PolarHBondContact O-OD1 3.13Å
114N92.2Very high88.2Confident64 Ų64113.2 Ų113.234%0.34255%0.546SS..Hα-helixtrans-66.7-36.1178.5-66.5-15.4000111.5I110 E111 L112 N117 N118I110-N114 WeakPolarHBondContact O-CB 3.24Å; I110-N114 PolarHBondContact O-N 3.44Å; I110-N114 PolarHBondContact O-ND2 3.46Å; I110-N114 PolarHBondContact O-OD1 3.05Å; E111-N114 PolarHBondContact O-N 3.34Å; L112-N114 VanDerWaalsContact C-N 3.33Å; L112-N114 PolarHBondContact O-N 3.28Å; N114-N117 PolarHBondContact O-N 2.94Å; N114-N118 WeakPolarHBondContact O-CB 3.27Å; N114-N118 PolarHBondContact O-N 2.93Å; N114-N118 PolarHBondContact O-ND2 2.79Å; N114-N118 PolarHBondContact O-OD1 2.64Å
115K94.1Very high87.4Confident143 Ų143110.7 Ų110.762%0.62255%0.549SS*.Hα-helixtrans-69.1-39175.4-168.4174.1-175.6177.70112.5E111 L112 R113 L119E111-K115 VanDerWaalsContact O-CB 3.29Å; E111-K115 WeakPolarHBondContact O-CB 3.28Å; E111-K115 PolarHBondContact O-N 2.92Å; L112-K115 PolarHBondContact O-N 2.71Å; R113-K115 VanDerWaalsContact C-N 3.33Å; R113-K115 PolarHBondContact O-N 2.85Å; K115-L119 WeakPolarHBondContact O-CB 3.33Å; K115-L119 PolarHBondContact O-N 3.28Å
116V94.9Very high86.1Confident71 Ų71112.3 Ų112.343%0.4357%0.565SS.*Hα-helixtrans-65.9-44.5172.61690000110.5L112 R113 L119 L120L112-V116 WeakPolarHBondContact O-CB 3.31Å; L112-V116 WeakPolarHBondContact O-CG2 2.99Å; L112-V116 PolarHBondContact O-N 3.03Å; R113-V116 PolarHBondContact O-N 3.35Å; V116-L119 WeakPolarHBondContact O-CB 3.46Å; V116-L119 PolarHBondContact O-N 2.98Å; V116-L119 VanDerWaalsContact O-N 3.15Å; V116-L120 HydrophobicContact CG1-CD1 4.07Å; V116-L120 HydrophobicContact CG1-CG 4.5Å; V116-L120 WeakPolarHBondContact O-CG 3.44Å; V116-L120 PolarHBondContact O-N 2.92Å
117N90.1Very high84.5Confident62 Ų62109.7 Ų109.733%0.33257%0.57SS.*Hα-helixtrans-62.7-43.8175.5-73.6-2.9000111.8R113 N114 L119 L120 D121R113-N117 WeakPolarHBondContact O-CB 2.87Å; R113-N117 PolarHBondContact O-N 3.01Å; R113-N117 PolarHBondContact O-OD1 3.13Å; N114-N117 PolarHBondContact O-N 2.94Å; N117-L119 VanDerWaalsContact C-N 3.25Å; N117-L119 PolarHBondContact O-N 2.82Å; N117-L120 PolarHBondContact O-N 3.26Å; N117-D121 VanDerWaalsContact O-CB 3.26Å; N117-D121 WeakPolarHBondContact O-CB 3.09Å; N117-D121 PolarHBondContact O-N 3Å
118N89.6Confident82.3Confident109 Ų109110.7 Ų110.758%0.58358%0.581SS**Hα-helixtrans-63.7-31.9174.2-70.3-8.3000112N114 S122N114-N118 WeakPolarHBondContact O-CB 3.27Å; N114-N118 PolarHBondContact O-N 2.93Å; N114-N118 PolarHBondContact O-ND2 2.79Å; N114-N118 PolarHBondContact O-OD1 2.64Å; N118-S122 VanDerWaalsContact O-CB 3.3Å; N118-S122 WeakPolarHBondContact O-CB 3.48Å; N118-S122 PolarHBondContact O-N 3.18Å; N118-S122 PolarHBondContact O-OG 3.41Å
119L89.6Confident80.2Confident100 Ų100110.1 Ų110.152%0.52459%0.588SS.*Hα-helixtrans-68.7-45.4172.4-116.369.9000111.3K115 V116 N117 S122 L123K115-L119 WeakPolarHBondContact O-CB 3.33Å; K115-L119 PolarHBondContact O-N 3.28Å; V116-L119 WeakPolarHBondContact O-CB 3.46Å; V116-L119 PolarHBondContact O-N 2.98Å; V116-L119 VanDerWaalsContact O-N 3.15Å; N117-L119 VanDerWaalsContact C-N 3.25Å; N117-L119 PolarHBondContact O-N 2.82Å; L119-S122 WeakPolarHBondContact CA-OG 3.5Å; L119-S122 CarbonylContact O-C 3.55Å; L119-S122 PolarHBondContact O-N 3.02Å; L119-S122 PolarHBondContact O-OG 2.84Å; L119-L123 WeakPolarHBondContact O-CB 3.46Å; L119-L123 WeakPolarHBondContact O-CG 3.28Å; L119-L123 PolarHBondContact O-N 3.24Å
120L86.9Confident77.6Confident108 Ų108108.2 Ų108.257%0.56559%0.594SS**Hα-helixtrans-60.2-44.2175.6-71.8168000111.4V116 N117 L123 E124V116-L120 HydrophobicContact CG1-CD1 4.07Å; V116-L120 HydrophobicContact CG1-CG 4.5Å; V116-L120 WeakPolarHBondContact O-CG 3.44Å; V116-L120 PolarHBondContact O-N 2.92Å; N117-L120 PolarHBondContact O-N 3.26Å; L120-L123 CarbonylContact O-C 3.53Å; L120-L123 PolarHBondContact O-N 3.01Å; L120-L123 VanDerWaalsContact O-N 3.13Å; L120-E124 PolarHBondContact O-N 3.43Å
121D84.8Confident75.3Confident122 Ų122113.5 Ų113.565%0.65262%0.619SS**Hα-helixtrans-61.3-43.7174.6-168.5-89.3000111.3N117 L123 E124N117-D121 VanDerWaalsContact O-CB 3.26Å; N117-D121 WeakPolarHBondContact O-CB 3.09Å; N117-D121 PolarHBondContact O-N 3Å; D121-L123 PolarHBondContact O-N 2.91Å; D121-E124 WeakPolarHBondContact O-CB 3.11Å; D121-E124 PolarHBondContact O-N 2.73Å
122S81.6Confident72.8Confident87 Ų87113.8 Ų113.861%0.60863%0.629SS**Hα-helixtrans-71.2-14174.373.80000115.1N118 L119N118-S122 VanDerWaalsContact O-CB 3.3Å; N118-S122 WeakPolarHBondContact O-CB 3.48Å; N118-S122 PolarHBondContact O-N 3.18Å; N118-S122 PolarHBondContact O-OG 3.41Å; L119-S122 WeakPolarHBondContact CA-OG 3.5Å; L119-S122 CarbonylContact O-C 3.55Å; L119-S122 PolarHBondContact O-N 3.02Å; L119-S122 PolarHBondContact O-OG 2.84Å
123L77.6Confident70.1Confident133 Ų133114.7 Ų114.770%0.69664%0.644SS**Hα-helixtrans-100.4-9.1174.9-70.7169.7000111.9L119 L120 D121L119-L123 WeakPolarHBondContact O-CB 3.46Å; L119-L123 WeakPolarHBondContact O-CG 3.28Å; L119-L123 PolarHBondContact O-N 3.24Å; L120-L123 CarbonylContact O-C 3.53Å; L120-L123 PolarHBondContact O-N 3.01Å; L120-L123 VanDerWaalsContact O-N 3.13Å; D121-L123 PolarHBondContact O-N 2.91Å
124E71.1Confident67.1Low134 Ų134114 Ų11463%0.62666%0.657SS**SBendtrans-70.3119.7166-164.7162.9118.900107.1L120 D121L120-E124 PolarHBondContact O-N 3.43Å; D121-E124 WeakPolarHBondContact O-CB 3.11Å; D121-E124 PolarHBondContact O-N 2.73Å
125P62.5Low64.5Low101 Ų101115.3 Ų115.366%0.65668%0.677SS**PPolyproline II helixtrans-61.5148177.327.1-34000108.8S127P125-S127 PolarHBondContact O-N 3.41Å
126P55.6Low62.1Low127 Ų127113.4 Ų113.483%0.82568%0.679SS**PPolyproline II helixtrans-51.3117.6176.2-23.832.6000109E128P126-E128 PolarHBondContact O-N 3.3Å
127S52Low59.4Low99 Ų99118.7 Ų118.769%0.69270%0.699SS**  trans-64.3104.61745.90000106.3P125 P129P125-S127 PolarHBondContact O-N 3.41Å; S127-P129 WeakPolarHBondContact O-CD 3.17Å
128E43.3Very low56.7Low177 Ų177123.3 Ų123.383%0.82772%0.723SS**  trans-42116.5175.6-84.4-92.993.600108.6P126 G130P126-E128 PolarHBondContact O-N 3.3Å; E128-G130 VanDerWaalsContact C-N 3.35Å; E128-G130 PolarHBondContact O-N 3.2Å
129P46.3Very low54.4Low115 Ų115127.2 Ų127.275%0.74774%0.738SS**  trans-67.199.7-179.825.6-32.1000107.9S127 M131S127-P129 WeakPolarHBondContact O-CD 3.17Å; P129-M131 PolarHBondContact O-N 2.84Å
130G40.7Very low51.8Low62 Ų62127.2 Ų127.264%0.63975%0.747SS**  trans-49.7116.4-179.900000110.3E128 T132E128-G130 VanDerWaalsContact C-N 3.35Å; E128-G130 PolarHBondContact O-N 3.2Å; G130-T132 PolarHBondContact O-N 3.48Å; G130-T132 VanDerWaalsContact O-N 3.1Å
131M42.3Very low49.3Very low194 Ų194130 Ų13096%0.95676%0.761SS**  trans-54.8117.2-175.7-66.5177.217900110.1P129P129-M131 PolarHBondContact O-N 2.84Å
132T41.6Very low47Very low128 Ų128132.1 Ų132.179%0.78577%0.773SS**  trans-115.7140.1171.643.10000109.3G130G130-T132 PolarHBondContact O-N 3.48Å; G130-T132 VanDerWaalsContact O-N 3.1Å
133S39.6Very low44.7Very low119 Ų119130.9 Ų130.983%0.83277%0.773SS**  trans71.2117.2-169.8-51.60000114
134T33Very low42.7Very low140 Ų140134.8 Ų134.886%0.85978%0.779SS**  -143.2150.253.4470000115.3
135A37.7Very low40.8Very low91 Ų91136 Ų13675%0.75278%0.784SS**  trans-74.2-179.5170.500000111.7
136P43.7Very low39.2Very low103 Ų103134.8 Ų134.867%0.66979%0.79SS**  cis-142.2-17817.843.9-23.7000118.2
137E38.5Very low38.2Very low182 Ų182138 Ų13885%0.8579%0.791SS**  trans44.5117.1149.6-72168.993.800121
138N34Very low37.2Very low158 Ų158138.3 Ų138.385%0.84579%0.788SS**  -159.4107.4114.9-157.6-2000111.3
139E39.7Very low36.7Very low192 Ų192137 Ų13790%0.89779%0.786SS**  trans-111.6101.6174-161.7-175.3126.400108.5
140S34.7Very low35.9Very low100 Ų100137.1 Ų137.170%0.69979%0.785SS**  trans-166.4134.9171.9-94.30000115.5
141L35.7Very low35.6Very low167 Ų167139.1 Ų139.187%0.87480%0.795SS**  trans78.386.5155-59.6169.9000119
142D36.1Very low34.9Very low166 Ų166135.8 Ų135.889%0.88878%0.781SS**  trans-48.7140.4132.7179.8-101.5000111
143G33Very low34.8Very low60 Ų60135.4 Ų135.462%0.61978%0.784SS**  trans15783.8172.200000119.2
144R35.1Very low34.5Very low216 Ų216135 Ų13582%0.81578%0.776SS**  trans65.4130.4130.1-100.5-173.3131.594.31.9122.8
145E32.3Very low34.7Very low160 Ų160134.1 Ų134.175%0.74877%0.771SS**  trans78.5135.4143.5-57.1178.1168.200120.9
146G29.6Very low34.8Very low74 Ų74139.7 Ų139.776%0.76378%0.778SS**  trans124.767.4136.900000123.2
147K34.6Very low34.5Very low196 Ų196144.1 Ų144.185%0.85279%0.79SS**  51.2110.5125.4-120.3-145162.2-1750122.4
148V30.3Very low34.2Very low105 Ų105139.9 Ų139.964%0.63679%0.785SS**  trans74.8142.8138.5-128.30000125.1
149L31.5Very low34.7Very low149 Ų149137.3 Ų137.378%0.7878%0.778SS**  trans75.9141.6158.8-52.2178.2000116.8
150T29.6Very low34.9Very low118 Ų118134.5 Ų134.572%0.72478%0.776SS**  cis-168.4148.7-5.615.90000110.4
151A34.4Very low35.2Very low103 Ų103136 Ų13685%0.85178%0.781SS**  trans59.4159.2154.900000118.6
152D27.6Very low35.5Very low125 Ų125132.9 Ų132.967%0.66877%0.773SS**  cis-158141-27174-86.5000106.4T154D152-T154 PolarHBondContact OD1-OG1 2.83Å
153S40.2Very low35.8Very low119 Ų119129.7 Ų129.783%0.83277%0.769SS**  trans-171.775.9156.4-85.40000112.9
154T34.3Very low36.4Very low110 Ų110130.6 Ų130.668%0.67577%0.771SS**  42.199.7121.8-58.40000120.2D152D152-T154 PolarHBondContact OD1-OG1 2.83Å
155V37.1Very low37.1Very low123 Ų123125.5 Ų125.575%0.74577%0.769SS**  trans68106.9131-179.60000120.6
156K38.3Very low37.8Very low207 Ų207126.5 Ų126.590%0.978%0.776SS**  -170.4145.5104.2-120.4155.8-173.1176.60113.1
157Q37Very low38.9Very low197 Ų197126.7 Ų126.792%0.92177%0.765SS**  trans-119.3136.5-173.8-173.1-177.425.300110.9
158A33.7Very low39.6Very low92 Ų92120.3 Ų120.376%0.7675%0.749SS**  trans-153153.6165.300000109.1
159P44.1Very low40.5Very low105 Ų105125.2 Ų125.268%0.68276%0.762SS**  trans-87.7158.3-153.233.8-37.4000115.5V161P159-V161 PolarHBondContact O-N 2.82Å
160P44.8Very low41.7Very low132 Ų132121.1 Ų121.186%0.85774%0.741SS**  trans-76.4109.5171.331.4-32.5000110.7
161V40.6Very low43.2Very low132 Ų132120.8 Ų120.880%0.874%0.741SS**  trans-94.398.6171.7-73.60000111.1P159P159-V161 PolarHBondContact O-N 2.82Å
162S40.5Very low44.3Very low102 Ų102123 Ų12371%0.71374%0.737SS**  trans25.2113.1152.8-55.70000119.4A164S162-A164 PolarHBondContact O-N 3.46Å
163A42.5Very low46.1Very low98 Ų98123.6 Ų123.681%0.8173%0.734SS**SBendtrans-70.233.3167.200000114.4S165A163-S165 PolarHBondContact O-N 3.19Å
164A46.2Very low47Very low80 Ų80121 Ų12166%0.66171%0.711SS**THydrogen-bonded Turntrans-84.1-1.1-169.300000115S162S162-A164 PolarHBondContact O-N 3.46Å
165S49.1Very low48.3Very low109 Ų109121.2 Ų121.276%0.76270%0.704SS**THydrogen-bonded Turntrans-110.55.2-176.6-58.70000115.3A163A163-S165 PolarHBondContact O-N 3.19Å
166M48.6Very low49.5Very low181 Ų181121.7 Ų121.789%0.89270%0.703SS**THydrogen-bonded Turntrans-92.96.7172.6-61.6-152.6-63.500113.8
167S51.8Low50.7Low77 Ų77118.4 Ų118.454%0.53869%0.69SS.*THydrogen-bonded Turntrans-112.715.4176.7-1700000113.6
168A50.3Low52Low63 Ų63113 Ų11352%0.52167%0.67SS.*SBendtrans-100.3-5.3-179.700000114.2
169F49.1Very low53.2Low207 Ų207112.3 Ų112.391%0.90865%0.654SS**  trans-124.139.4-177.7-114.8-93.2000112.8P171F169-P171 WeakPolarHBondContact O-CD 3.31Å
170D56.7Low54.2Low64 Ų64114.4 Ų114.434%0.34265%0.653SS.*  trans-97.6102.3161.8-177.6-5.7000108.7L172 K173D170-L172 PolarHBondContact O-N 3.4Å; D170-L172 VanDerWaalsContact O-N 3.1Å; D170-L172 WeakPolarHBondContact OD1-CB 3.25Å; D170-L172 PolarHBondContact OD1-N 3.34Å; D170-L172 VanDerWaalsContact OD1-N 3.09Å; D170-K173 HydrophobicContact CB-CB 4.05Å; D170-K173 PolarHBondContact O-N 3.42Å; D170-K173 VanDerWaalsContact O-N 3.1Å
171P59.7Low55.1Low111 Ų111113.6 Ų113.672%0.72164%0.641SS**THydrogen-bonded Turntrans-67.3-8.5-17627.8-34.8000113.8F169F169-P171 WeakPolarHBondContact O-CD 3.31Å
172L58.9Low56.3Low148 Ų148111.5 Ų111.578%0.77563%0.625SS**THydrogen-bonded Turntrans-90.2-14.7175.1-64.8168.1000113.1D170D170-L172 PolarHBondContact O-N 3.4Å; D170-L172 VanDerWaalsContact O-N 3.1Å; D170-L172 WeakPolarHBondContact OD1-CB 3.25Å; D170-L172 PolarHBondContact OD1-N 3.34Å; D170-L172 VanDerWaalsContact OD1-N 3.09Å
173K64.3Low57.3Low139 Ų139111.2 Ų111.260%0.60461%0.614SS**THydrogen-bonded Turntrans-100.5-17.6-169.4-139.2173.1-174.2178.40115.3D170D170-K173 HydrophobicContact CB-CB 4.05Å; D170-K173 PolarHBondContact O-N 3.42Å; D170-K173 VanDerWaalsContact O-N 3.1Å
174N59.7Low58.2Low63 Ų63110.1 Ų110.134%0.33760%0.601SS.*SBendtrans-11214.3-178.7-61.7-41.2000113D176 E177 V178N174-D176 VanDerWaalsContact C-N 3.3Å; N174-D176 PolarHBondContact O-N 3.25Å; N174-E177 PolarHBondContact O-N 2.94Å; N174-V178 WeakPolarHBondContact O-CG2 3.42Å; N174-V178 PolarHBondContact O-N 3.25Å; N174-V178 VanDerWaalsContact O-N 3.12Å
175Q61.5Low58.8Low116 Ų116110.4 Ų110.454%0.54260%0.602SS.*Hα-helixtrans-61.2-36.7-174.3-172.1170.987.400112.5V178 N179Q175-V178 PolarHBondContact O-N 2.92Å; Q175-N179 WeakPolarHBondContact O-CB 3.18Å; Q175-N179 PolarHBondContact O-N 3.43Å; Q175-N179 PolarHBondContact O-ND2 3.01Å
176D63Low59.3Low133 Ų133113.1 Ų113.171%0.71160%0.601SS**Hα-helixtrans-67.2-40.3177.4-64.6-81000113.6N174 K180N174-D176 VanDerWaalsContact C-N 3.3Å; N174-D176 PolarHBondContact O-N 3.25Å; D176-K180 WeakPolarHBondContact O-CB 3.48Å; D176-K180 PolarHBondContact O-N 3.42Å
177E63.1Low59.5Low137 Ų137107.3 Ų107.364%0.6459%0.587SS**Hα-helixtrans-68.8-38.6175.6-76.9-165.176.100111.9N174 K180 N181N174-E177 PolarHBondContact O-N 2.94Å; E177-K180 PolarHBondContact O-N 2.64Å; E177-N181 PolarHBondContact O-N 2.96Å
178V63.1Low59.5Low83 Ų83109.9 Ų109.950%0.50359%0.594SS.*Hα-helixtrans-65.5-44.4175.8177.60000110.8N174 Q175 K180 N181 I182N174-V178 WeakPolarHBondContact O-CG2 3.42Å; N174-V178 PolarHBondContact O-N 3.25Å; N174-V178 VanDerWaalsContact O-N 3.12Å; Q175-V178 PolarHBondContact O-N 2.92Å; V178-K180 PolarHBondContact O-N 3.16Å; V178-N181 PolarHBondContact O-N 3.13Å; V178-I182 HydrophobicContact CG1-CD1 3.87Å; V178-I182 HydrophobicContact CG1-CG1 4.47Å; V178-I182 VanDerWaalsContact O-CG1 3.31Å; V178-I182 WeakPolarHBondContact O-CG1 3.49Å; V178-I182 PolarHBondContact O-N 3.03Å
179N60.9Low59.3Low79 Ų79112 Ų11242%0.42261%0.606SS.*Hα-helixtrans-59.8-44.4174.4-79.5-27.8000111.7Q175 N181 I182 I183Q175-N179 WeakPolarHBondContact O-CB 3.18Å; Q175-N179 PolarHBondContact O-N 3.43Å; Q175-N179 PolarHBondContact O-ND2 3.01Å; N179-N181 PolarHBondContact O-N 2.91Å; N179-I182 PolarHBondContact O-N 3.38Å; N179-I183 WeakPolarHBondContact O-CD1 3.48Å; N179-I183 VanDerWaalsContact O-CG1 3.31Å; N179-I183 WeakPolarHBondContact O-CG1 3.3Å; N179-I183 PolarHBondContact O-N 3.36Å
180K63.8Low59.6Low149 Ų149112 Ų11265%0.64861%0.608SS**Hα-helixtrans-63.6-39.7178.3-165.7-176.7-179.7-170.90112.4D176 E177 V178 S184D176-K180 WeakPolarHBondContact O-CB 3.48Å; D176-K180 PolarHBondContact O-N 3.42Å; E177-K180 PolarHBondContact O-N 2.64Å; V178-K180 PolarHBondContact O-N 3.16Å; K180-S184 WeakPolarHBondContact O-CB 3.38Å; K180-S184 PolarHBondContact O-N 2.99Å; K180-S184 PolarHBondContact O-OG 3.38Å
181N63.1Low59.2Low115 Ų115115.7 Ų115.762%0.61563%0.628SS**Hα-helixtrans-69.5-35.8175.4-87.56.5000112.8E177 V178 N179 S184 A185E177-N181 PolarHBondContact O-N 2.96Å; V178-N181 PolarHBondContact O-N 3.13Å; N179-N181 PolarHBondContact O-N 2.91Å; N181-S184 PolarHBondContact O-N 3.49Å; N181-A185 WeakPolarHBondContact O-CB 3.21Å; N181-A185 PolarHBondContact O-N 3.02Å
182I66.9Low58.3Low88 Ų88119.2 Ų119.245%0.45164%0.635SS.*Hα-helixtrans-64.9-47.9174.7-69.7168.1000110.7V178 N179 S184 A185 F186V178-I182 HydrophobicContact CG1-CD1 3.87Å; V178-I182 HydrophobicContact CG1-CG1 4.47Å; V178-I182 VanDerWaalsContact O-CG1 3.31Å; V178-I182 WeakPolarHBondContact O-CG1 3.49Å; V178-I182 PolarHBondContact O-N 3.03Å; N179-I182 PolarHBondContact O-N 3.38Å; I182-S184 VanDerWaalsContact C-N 3.27Å; I182-S184 PolarHBondContact O-N 3.15Å; I182-A185 PolarHBondContact O-N 3.44Å; I182-A185 VanDerWaalsContact O-N 3.13Å; I182-F186 HydrophobicContact CG2-CD2 4.17Å; I182-F186 HydrophobicContact CG2-CE2 4.26Å; I182-F186 WeakPolarHBondContact O-CD2 3.35Å; I182-F186 PolarHBondContact O-N 3.23Å
183I61.8Low57.2Low96 Ų96115.7 Ų115.749%0.49263%0.627SS.*Hα-helixtrans-60.2-40178.3-67.6162.8000110.7N179 F186N179-I183 WeakPolarHBondContact O-CD1 3.48Å; N179-I183 VanDerWaalsContact O-CG1 3.31Å; N179-I183 WeakPolarHBondContact O-CG1 3.3Å; N179-I183 PolarHBondContact O-N 3.36Å; I183-F186 PolarHBondContact O-N 3.15Å
184S60.4Low56.1Low75 Ų75115.5 Ų115.552%0.52464%0.64SS.*Hα-helixtrans-67-36.6175.9-54.20000112.8K180 N181 I182 F186 G187K180-S184 WeakPolarHBondContact O-CB 3.38Å; K180-S184 PolarHBondContact O-N 2.99Å; K180-S184 PolarHBondContact O-OG 3.38Å; N181-S184 PolarHBondContact O-N 3.49Å; I182-S184 VanDerWaalsContact C-N 3.27Å; I182-S184 PolarHBondContact O-N 3.15Å; S184-F186 VanDerWaalsContact C-N 3.29Å; S184-F186 PolarHBondContact O-N 3.33Å; S184-G187 PolarHBondContact O-N 2.99Å
185A59.7Low54.9Low85 Ų85119.2 Ų119.270%0.70267%0.665SS**Hα-helixtrans-69.6-22.9178.300000113.7N181 I182N181-A185 WeakPolarHBondContact O-CB 3.21Å; N181-A185 PolarHBondContact O-N 3.02Å; I182-A185 PolarHBondContact O-N 3.44Å; I182-A185 VanDerWaalsContact O-N 3.13Å
186F58.1Low53.9Low167 Ų167117.4 Ų117.473%0.73267%0.67SS**THydrogen-bonded Turntrans-90.73.9172.8-80.3-79000114I182 I183 S184 L188I182-F186 HydrophobicContact CG2-CD2 4.17Å; I182-F186 HydrophobicContact CG2-CE2 4.26Å; I182-F186 WeakPolarHBondContact O-CD2 3.35Å; I182-F186 PolarHBondContact O-N 3.23Å; I183-F186 PolarHBondContact O-N 3.15Å; S184-F186 VanDerWaalsContact C-N 3.29Å; S184-F186 PolarHBondContact O-N 3.33Å; F186-L188 VanDerWaalsContact C-N 3.29Å; F186-L188 PolarHBondContact O-N 3.49Å
187G53.9Low52.7Low58 Ų58117.1 Ų117.160%0.59868%0.675SS**THydrogen-bonded Turntrans71.117.5172.900000115.3S184 S189S184-G187 PolarHBondContact O-N 2.99Å; G187-S189 PolarHBondContact O-N 3.39Å
188L50.6Low51.6Low131 Ų131116.7 Ų116.769%0.68668%0.684SS**  trans-90.380.2178.5-62.6-178.9000110.5F186F186-L188 VanDerWaalsContact C-N 3.29Å; F186-L188 PolarHBondContact O-N 3.49Å
189S47.6Very low50.3Low109 Ų109117.3 Ų117.376%0.76270%0.698SS**  trans-76.8119.6170.3-56.60000110.3G187 D191G187-S189 PolarHBondContact O-N 3.39Å; S189-D191 PolarHBondContact O-N 2.9Å
190E53.9Low49Very low206 Ų206118.3 Ų118.396%0.96372%0.717SS**SBendtrans-79.461.7175.3-167.7164.269.100111.7
191D49.3Very low47.5Very low141 Ų141115.8 Ų115.875%0.75472%0.724SS**  trans-145.390.4163.2-163.6-88.5000110.1S189S189-D191 PolarHBondContact O-N 2.9Å
192Q39.8Very low46.1Very low185 Ų185115.8 Ų115.886%0.86473%0.728SS**  trans-146.688168.4-163.4100.2100.100109.3
193A37.7Very low44.7Very low74 Ų74119.9 Ų119.961%0.61275%0.746SS**  trans-60.2146.9167.400000110.7V195A193-V195 PolarHBondContact O-N 3.3Å
194P39.6Very low43.3Very low135 Ų135123.8 Ų123.888%0.87776%0.762SS**  trans-73.9113.6-173.429-34.5000111.8
195V35.2Very low42.2Very low141 Ų141131.9 Ų131.986%0.85578%0.781SS**PPolyproline II helixtrans-101.4126.6171-178.10000109.5A193A193-V195 PolarHBondContact O-N 3.3Å
196A40.1Very low41.3Very low79 Ų79134 Ų13465%0.65379%0.791SS**PPolyproline II helixtrans-72.6154.1-179.600000112.6P198A196-P198 WeakPolarHBondContact O-CD 3.28Å
197P38.8Very low40.2Very low127 Ų127129.5 Ų129.583%0.82579%0.791SS**PPolyproline II helixtrans-81.3125.3175.631.7-32.6000111.8
198P40.1Very low39.7Very low127 Ų127133.2 Ų133.283%0.82580%0.802SS**PPolyproline II helixtrans-88.1150163.634.6-31.2000111.2A196A196-P198 WeakPolarHBondContact O-CD 3.28Å
199A34.5Very low39.6Very low96 Ų96133 Ų13379%0.79381%0.809SS**PPolyproline II helixtrans-96.9153.2176.800000112.7
200A34.3Very low39.2Very low101 Ų101134.6 Ų134.684%0.83581%0.809SS**  trans59.8116.5149.700000121.1
201A32.9Very low38.3Very low96 Ų96129.2 Ų129.279%0.79379%0.794SS**  trans159.9147141.800000108.8
202T33.6Very low37.9Very low114 Ų114130.5 Ų130.570%0.69980%0.799SS**  cis-160.7149.6-15.8-90.30000107.5
203E36.3Very low37.6Very low174 Ų174125.8 Ų125.881%0.81379%0.792SS**  trans12.8135.1162-62.21698700122
204E34.1Very low37.4Very low179 Ų179128.3 Ų128.384%0.83681%0.805SS**  -179.5101.9111.8-91.5-117.59300111.8
205R36.7Very low37.2Very low245 Ų245127.2 Ų127.293%0.92580%0.8SS**  -178.9119.3127.5-98.5161.8-165.7-109.5-3.5113
206S40.8Very low37Very low130 Ų130126.6 Ų126.691%0.90980%0.803SS**  trans-71.2157.6177.7-176.60000113.3
207G35.3Very low37Very low72 Ų72129 Ų12974%0.74281%0.814SS**  trans160.860.2168.600000117.8
208T42Very low36.8Very low135 Ų135127.9 Ų127.983%0.82882%0.816SS**  trans-104.3149.8156.847.60000110.3
209P49.9Very low36.8Very low126 Ų126125.7 Ų125.782%0.81881%0.809SS**  -139.9131.8112.735.6-22.7000115.2
210D37.8Very low37.2Very low144 Ų144127.2 Ų127.277%0.7781%0.81SS**  trans29.5131.3134.2-139-114.2000123.9
211S35.7Very low37.4Very low93 Ų93131.3 Ų131.365%0.6581%0.812SS**  trans51.3121.2142.4-61.50000123
212I41.7Very low38Very low168 Ų168132 Ų13286%0.86281%0.809SS**  -137.5138.9106.347.1170.5000111
213A32.3Very low37.9Very low86 Ų86130.3 Ų130.371%0.71181%0.813SS**  trans-85.1153.617200000111.7
214S32.9Very low38.1Very low126 Ų126128.8 Ų128.888%0.88182%0.816SS**  trans-149.5112.1156.7-81.10000110.3
215S36Very low39Very low112 Ų112125.6 Ų125.678%0.78381%0.81SS**  trans-82.2145.3-178-50.50000111.5
216S31Very low39.5Very low129 Ų129120 Ų12090%0.90281%0.806SS**  trans-161.5103.6138.7-880000111.9
217S40Very low39.6Very low129 Ų129123 Ų12390%0.90281%0.806SS**  trans-116.7117.7161-68.50000108.7
218A34.6Very low40.4Very low104 Ų104125.1 Ų125.186%0.8681%0.806SS**  trans-169.3138.1163.100000108.8
219A39.4Very low40.2Very low81 Ų81126.8 Ų126.867%0.66981%0.805SS**  cis-158.6154.5-16.600000107.9
220P43.9Very low40.2Very low127 Ų127126.8 Ų126.883%0.82581%0.805SS**PPolyproline II helixtrans-71.8133.5172.429.7-33.3000111.2
221Q38.2Very low40.6Very low187 Ų187124.5 Ų124.587%0.87480%0.798SS**PPolyproline II helixtrans-78.2131.3173.6-77.1-74.5-49.300111
222P44.8Very low40.5Very low112 Ų112131.4 Ų131.473%0.72781%0.811SS**PPolyproline II helixtrans-91.4139.7177.234.3-32.7000113.4
223G33.1Very low40.1Very low77 Ų77129.6 Ų129.679%0.79481%0.808SS**  trans53112.7143.600000120.6
224V40.8Very low40.1Very low143 Ų143129.1 Ų129.187%0.86781%0.811SS**  trans-126.8127.1157.4-161.10000108.9
225P52.6Low40.1Very low111 Ų111129.8 Ų129.872%0.72181%0.81SS**PPolyproline II helixtrans-82.3157.1-176.932.7-35.6000113.2
226P47.7Very low40.1Very low128 Ų128133.1 Ų133.183%0.83181%0.813SS**PPolyproline II helixtrans-75.4144.9176.431.4-34.8000112.6
227Q42.3Very low40.3Very low193 Ų193136 Ų13690%0.90281%0.812SS**PPolyproline II helixtrans-98.1139.8-178.5-165.1176.84.300111.8
228P51.4Low40.2Very low116 Ų116133.1 Ų133.175%0.75380%0.803SS**PPolyproline II helixtrans-92145.5-174.834.1-35.2000115.9
229Q38.5Very low40.7Very low170 Ų170134.2 Ų134.279%0.79480%0.801SS**  trans17.4151.7157.1-60.5-161.9-17.800122.9
230P49.9Very low41.1Very low127 Ų127136.3 Ų136.383%0.82581%0.808SS**  -130.7162.693.138.4-31.3000114.7
231P46.8Very low40.9Very low95 Ų95135.1 Ų135.162%0.61781%0.809SS**  trans-90.3158.7-176.336.1-36000113.9
232Y32Very low40.9Very low239 Ų239130 Ų13094%0.93781%0.806SS**  trans-122.5150159.4-114.4-89.1000110.9
233V33.3Very low40.7Very low130 Ų130131.2 Ų131.279%0.78881%0.811SS**  trans-121.3147.7-163.7-74.50000112.8
234G32.3Very low40.7Very low76 Ų76135.4 Ų135.478%0.78482%0.815SS**  trans75.4153.6174.400000113.7
235V33.5Very low40.5Very low140 Ų140132 Ų13285%0.84881%0.809SS**  cis-150.2155.50.4-144.90000103.1
236Q36.4Very low39.7Very low182 Ų182134.9 Ų134.985%0.8581%0.813SS**  cis-168145.437.7-171.116031.800109.3
237Q35.3Very low39.1Very low189 Ų189134.7 Ų134.788%0.88381%0.809SS**PPolyproline II helixtrans-78.9142.6179.7-67171-8.100111.3
238G37.6Very low38.7Very low69 Ų69135.8 Ų135.871%0.71181%0.806SS**PPolyproline II helixtrans-79.1149.9168.700000112.1
239P44.4Very low37.9Very low126 Ų126137 Ų13782%0.81880%0.802SS**PPolyproline II helixtrans-79.1148.7175.232.1-33.7000112
240P49.1Very low37.6Very low126 Ų126135.8 Ų135.882%0.81880%0.796SS**PPolyproline II helixtrans-83.7164.7-178.934.7-36.1000113.2
241A39.7Very low37Very low102 Ų102138.2 Ų138.284%0.84379%0.79SS**PPolyproline II helixtrans-67.8135.8175.100000112.5
242G37.9Very low36.4Very low78 Ų78141 Ų14180%0.80480%0.795SS**  trans-109.9139.3161.400000109.6
243V40Very low36.5Very low138 Ų138134 Ų13484%0.83679%0.786SS**  trans-110.7162.4179.5-70.90000111.6
244D33Very low37.1Very low166 Ų166133.9 Ų133.989%0.88879%0.788SS**  trans86.5142.3169.1-131.9-71.2000118.3
245G36.8Very low37.1Very low71 Ų71134.4 Ų134.473%0.73279%0.794SS**  trans136.469.4-174.300000116.5
246Q36.3Very low37.1Very low172 Ų172131.4 Ų131.480%0.80479%0.791SS**  trans-68.6145164.9-69.1-84-4.900111.8
247V34.5Very low37.3Very low124 Ų124133.7 Ų133.775%0.75279%0.794SS**  168.9127118.7-820000117.1
248Y34.5Very low38Very low216 Ų216130.2 Ų130.285%0.84779%0.787SS**  trans57.3134.7141-75.1-73.7000127.9
249Q33.2Very low38.5Very low140 Ų140132.8 Ų132.865%0.65479%0.792SS**  trans65.8127.5147.9-68.7-121.8108.300120.2
250Q33.1Very low38.3Very low145 Ų145135.9 Ų135.968%0.67880%0.795SS**  cis84.1105.945.2-178.4177.2-33.300114.1
251Y36.5Very low37.9Very low178 Ų178139 Ų13970%0.69880%0.799SS**  -171.5153.8126.6-120.2-102.4000114.6
252Q34.9Very low37.9Very low153 Ų153140.3 Ų140.372%0.71580%0.799SS**  trans-27.3138.3179.4-65.2165.9-8.100124.6
253A34Very low37.7Very low92 Ų92140.7 Ų140.776%0.7680%0.803SS**  60.9174.1122.800000121.8
254P46.9Very low37.5Very low128 Ų128138.7 Ų138.783%0.83180%0.8SS**  -130.2156.8-64.838.1-24.6000114.8
255G32.4Very low38.1Very low88 Ų88136.6 Ų136.691%0.90780%0.796SS**  trans95.9138.315800000117.2
256G33.8Very low38.6Very low76 Ų76139.1 Ų139.178%0.78480%0.799SS**  trans160.4133.617600000112.7
257Y39.5Very low38.7Very low230 Ų230139.8 Ų139.890%0.90280%0.803SS**PPolyproline II helixtrans-69.4155.4-177.5-74.1-103.1000113
258P50.3Low38.8Very low116 Ų116141.8 Ų141.875%0.75380%0.804SS**PPolyproline II helixtrans-73.9138.4177.330.6-34.9000112.3
259P48.3Very low38.9Very low124 Ų124140.5 Ų140.581%0.80581%0.805SS**PPolyproline II helixtrans-78.8149.617032-33.2000112
260Q39.4Very low39Very low191 Ų191144.1 Ų144.189%0.89382%0.815SS**PPolyproline II helixtrans-72.5153177.1-67.3-164.824.900113.1
261Q41Very low39Very low191 Ų191143.3 Ų143.389%0.89382%0.82SS**PPolyproline II helixtrans-79.9139.5167.2-68.2-172.1-14.400111.8
262P40.5Very low39.3Very low130 Ų130142.5 Ų142.584%0.84482%0.824SS**PPolyproline II helixtrans-100.8140.3163.335.1-28.2000111.9
263G32.8Very low39.8Very low86 Ų86140.5 Ų140.589%0.88782%0.824SS**  trans141.389.6159.700000116.9
264A37Very low39.9Very low95 Ų95147 Ų14779%0.78583%0.831SS**  trans-137141.5157.300000109.1
265P43.7Very low39.9Very low122 Ų122146.7 Ų146.779%0.79283%0.829SS**PPolyproline II helixtrans-84.2153-166.532.8-36.3000114.1
266P48.4Very low40Very low124 Ų124147.8 Ų147.881%0.80583%0.83SS**PPolyproline II helixtrans-83141.917933.1-34.2000113.2
267Q38.9Very low40Very low186 Ų186147.4 Ų147.487%0.86983%0.825SS**PPolyproline II helixtrans-85.5136.1166.4-79.8-75-600110.5
268Q36.8Very low39.7Very low167 Ų167147.6 Ų147.678%0.7883%0.826SS**PPolyproline II helixtrans-90.2126.7176.7-70.1-83.721.800110.3
269Q36.1Very low39.1Very low188 Ų188148 Ų14888%0.87983%0.832SS**  trans-108.5115.3165.7-82.6-172-20.100110.4
270Y35Very low38.3Very low217 Ų217147.4 Ų147.485%0.85183%0.83SS**  trans-80.7131.7174-114.7-99.5000110.5
271T33.9Very low38.2Very low128 Ų128147.3 Ų147.379%0.78583%0.83SS**  trans-113.5133.2170.9-610000109.5
272M42.1Very low38.3Very low160 Ų160143.8 Ų143.879%0.78882%0.824SS**  trans-122.6125.2173.7-96-72.4-166.800109.5
273P45.4Very low37.9Very low111 Ų111141.1 Ų141.172%0.72182%0.82SS**  trans-95.1142.4175.935-31.2000112.7
274Y35Very low38.3Very low228 Ų228141.7 Ų141.789%0.89482%0.817SS**  trans-127.4139.2166.7-97.3-86.2000110
275P48.8Very low38.4Very low123 Ų123143.5 Ų143.580%0.79982%0.82SS**  trans-109.2124.4-179.536.5-28.8000114.5
276A34.1Very low38.1Very low111 Ų111146.5 Ų146.592%0.91782%0.824SS**  trans179.4149.9153.500000107.4
277G33.3Very low37.8Very low67 Ų67146.1 Ų146.169%0.69182%0.821SS**  cis157.490.2-0.100000110.6
278Y34.1Very low37.8Very low234 Ų234140.3 Ų140.392%0.91881%0.811SS**  trans44.8114.4166.8-75.9-89.1000121.2
279S35.8Very low38.3Very low125 Ų125138.5 Ų138.587%0.87481%0.814SS**  170.8178.3112.449.20000111.7
280S33.5Very low38.7Very low111 Ų111135.6 Ų135.678%0.77681%0.811SS**  trans-115.8165.8-137.6-45.40000117.5
281Q36Very low39Very low189 Ų189134 Ų13488%0.88381%0.811SS**  trans86.7154.2156.8-85.3-163.9-105.400119.8
282P43.1Very low39.4Very low117 Ų117134.1 Ų134.176%0.7682%0.815SS**  -129.3158-129.941.1-25.7000115.9
283G32.1Very low39.3Very low74 Ų74135.9 Ų135.976%0.76382%0.821SS**  trans176.2138.3165.900000115.2
284A40.4Very low39.3Very low99 Ų99139.5 Ų139.582%0.81883%0.828SS**  trans64121.5167.200000119
285P40.7Very low39.4Very low132 Ų132136.8 Ų136.886%0.85782%0.824SS**PPolyproline II helixtrans-80134.5166.132.2-31.6000111.6
286Q36.9Very low38.7Very low186 Ų186141.4 Ų141.487%0.86983%0.832SS**PPolyproline II helixtrans-80.3154.4167.1-101-153.2-66.400112
287P42.8Very low38.9Very low116 Ų116143.9 Ų143.975%0.75382%0.824SS**PPolyproline II helixtrans-79153.1-173.832.6-36000113.6
288G38.4Very low38.8Very low63 Ų63147.9 Ų147.965%0.64983%0.83SS**PPolyproline II helixtrans-74.5167.4173.300000114
289P47Very low39Very low130 Ų130147.2 Ų147.284%0.84483%0.827SS**PPolyproline II helixtrans-70.1139.8-177.928.7-34.8000112.4
290P43.9Very low39.6Very low127 Ų127146.3 Ų146.383%0.82582%0.818SS**PPolyproline II helixtrans-81144.6-176.432-34.9000113.3
291Q41.2Very low40.3Very low182 Ų182146.8 Ų146.885%0.8582%0.819SS**PPolyproline II helixtrans-78.7149.9165.2-72.5-169.4-31.400111.4Q293Q291-Q293 PolarHBondContact O-N 2.85Å
292P43.3Very low40.8Very low132 Ų132143.8 Ų143.886%0.85782%0.815SS**  trans-76.5113.8174.530.3-32.7000111.2
293Q39.8Very low40.5Very low196 Ų196143.9 Ų143.992%0.91682%0.819SS**  trans-95.3132.6174.4-132.1172-15.500110.4Q291Q291-Q293 PolarHBondContact O-N 2.85Å
294Q45.3Very low40.8Very low188 Ų188146 Ų14688%0.87982%0.823SS**  trans-83.3129.1174.7-61.9176.515.900110.4
295Q37Very low40.6Very low171 Ų171150.7 Ų150.780%0.79983%0.827SS**  trans-161.8132.6156.2-112.1172.324.100110.6
296F34.3Very low40.3Very low220 Ų220149.3 Ų149.397%0.96583%0.827SS**  trans-127.1113.2161.3-106.7-88.6000106.9
297Q37.9Very low40.8Very low162 Ų162146.5 Ų146.576%0.75783%0.825SS**  trans-108.3137.6177.6-162.986.556.200109.2
298N31.6Very low40.3Very low151 Ų151144.3 Ų144.381%0.80782%0.824SS**  trans-81.2138.4-171-15947.8000112.2
299Y38.5Very low40.8Very low220 Ų220148.1 Ų148.186%0.86384%0.837SS**  trans-112.6131.6175.6-96.5-84.1000112
300P48.3Very low40.1Very low107 Ų107145.4 Ų145.470%0.69583%0.833SS**  trans-104.2163.6156.632.4-21.9000112.4
301P48.5Very low39.7Very low120 Ų120145.3 Ų145.378%0.77984%0.835SS**  trans-95.5163-160.737.4-37.2000115.3
302P46.8Very low39.4Very low126 Ų126141.1 Ų141.182%0.81883%0.831SS**  trans-84.4143.2172.134.3-33.2000112.6
303S36.9Very low40.3Very low120 Ų120140.2 Ų140.284%0.83983%0.826SS**  trans-105.4136.1169.347.70000110.8
304S38.3Very low40.1Very low119 Ų119138 Ų13883%0.83283%0.825SS**  trans-108.3125.6177.6-61.30000110.7
305Q35.5Very low40.1Very low196 Ų196135 Ų13592%0.91682%0.822SS**  trans-134.1145.2162.6-73-171.110.200109.7
306A34.7Very low39.7Very low103 Ų103129.5 Ų129.585%0.85181%0.812SS**PPolyproline II helixtrans-94.9151.5-176.500000112.1
307P46.6Very low39.6Very low127 Ų127128.3 Ų128.383%0.82581%0.807SS**PPolyproline II helixtrans-101.5145.9174.235.4-29.8000113.8
308G31.6Very low39.5Very low71 Ų71127.5 Ų127.573%0.73280%0.803SS**PPolyproline II helixtrans-93.3170.9163.200000112.7
309P49.9Very low39.4Very low143 Ų143126.7 Ų126.793%0.92980%0.804SS**PPolyproline II helixtrans-96.6154.6-162.636.7-35.5000115.4
310G32.7Very low39.1Very low73 Ų73119.8 Ų119.875%0.75380%0.799SS**  trans-162.3105.4175.100000114.9
311S35Very low38.4Very low125 Ų125123.4 Ų123.487%0.87481%0.807SS**  trans-8.5147.6164.651.10000122.7
312A34.1Very low37.8Very low93 Ų93125.9 Ų125.977%0.76981%0.808SS**  trans-107.5-153.8174.900000112.8
313P62.7Low37.4Very low114 Ų114126.5 Ų126.574%0.7480%0.8SS**  -129.4179.2-96.441.3-25.1000114.7
314T36.4Very low37.6Very low148 Ų148128 Ų12891%0.90879%0.794SS**  trans-171.8163.3149.317.70000111.7
315P45.4Very low37.7Very low125 Ų125129.7 Ų129.781%0.81279%0.788SS**  trans-134.2175.2-147.144.3-29.8000117.9
316G28.5Very low38Very low57 Ų57127.9 Ų127.959%0.58878%0.78SS**  trans136.6128.7137.100000119.8
317F32.5Very low38.3Very low195 Ų195130.1 Ų130.186%0.85577%0.773SS**  trans63.8144.5132.8-69.6-74.1000120.1
318Q34.4Very low38.1Very low145 Ų145133.2 Ų133.268%0.67878%0.776SS**  cis-168.71561.9-156.8163.4-44.300112.4
319T29.1Very low38.6Very low134 Ų134137.4 Ų137.482%0.82278%0.777SS**  trans59.4148.4156.536.10000120.3
320G33.6Very low38.1Very low74 Ų74137.5 Ų137.576%0.76377%0.765SS**  cis152.1167.10.600000110.5
321Q34Very low38.2Very low183 Ų183142.4 Ų142.486%0.85577%0.768SS**  cis-175.8124.3-17-178.5-135.3113.300110.3
322Q34.4Very low38.3Very low172 Ų172145.1 Ų145.180%0.80477%0.767SS**  trans-173.3148.1167.3-106.7174.34000110.7
323Q39.8Very low39.1Very low140 Ų140145.4 Ų145.465%0.65476%0.761SS**  cis-163.1139.7-4.4-149.9173.757.300110.6
324Q40.6Very low38.6Very low152 Ų152145 Ų14571%0.7176%0.758SS**  trans46.2152.1150.3-67.8178.72600122
325Q40.7Very low39Very low154 Ų154146.6 Ų146.672%0.7276%0.755SS**  cis-155.7171.55.6-129.4179.883.500112.5
326Q41.8Very low38.7Very low157 Ų157148.5 Ų148.573%0.73475%0.753SS**  trans-41.4167.9174.7-69.9175.955.800118.9
327Q41.5Very low39.7Very low151 Ų151150 Ų15071%0.70675%0.753SS**  cis-179.4122.2-19.8178.2-169.912500109.5
328Q41.1Very low39.9Very low191 Ų191149.5 Ų149.589%0.89375%0.753SS**  trans-170148139.7-112.8171.291.400111.8
329Q41.8Very low39.8Very low159 Ų159146.3 Ų146.374%0.74376%0.759SS**  trans-87165-174.2-59.4176.115.700109.9
330Q39.7Very low39.9Very low145 Ų145144.5 Ų144.568%0.67876%0.758SS**  cis-163.2142.836-153.9168.280.800113.3
331Q35.6Very low39.9Very low176 Ų176150.4 Ų150.482%0.82277%0.766SS**  trans68.1105.6160.9-72.6170.6112.700120.4
332Q37.6Very low39.8Very low182 Ų182149.3 Ų149.385%0.8576%0.76SS**  trans-92.7-172.5172.4-103.6-167.18.500111.1
333P50.7Low39.6Very low100 Ų100150.9 Ų150.965%0.64976%0.76SS**  cis-142.6-147.3-35.238.4-17000111.5
334P52.1Low39.7Very low104 Ų104149.4 Ų149.468%0.67576%0.763SS**  -119152-60.230.2-11000111.6
335H44.2Very low39.5Very low182 Ų182148.7 Ų148.784%0.84377%0.772SS**  44.8140.870.6-58-81000115.6
336Q39Very low39.2Very low166 Ų166145 Ų14578%0.77677%0.774SS**  178.6-174.362.5-112.2-156.8-11.300108.9
337P50Low38.8Very low89 Ų89141.6 Ų141.658%0.57877%0.773SS**  cis-137.4174.5-26.233.6-13.8000115.7
338Q35.3Very low38.6Very low183 Ų183144.2 Ų144.286%0.85578%0.783SS**  trans39.8144.7140.6-63.1159.5-8.600121.1
339G32.9Very low38.7Very low79 Ų79140.3 Ų140.381%0.81477%0.774SS**  cis176-165.67.100000108.3
340A32.2Very low38.5Very low96 Ų96138.7 Ų138.779%0.79378%0.777SS**  cis-168.8175.6-12.200000111
341Q32.7Very low38.2Very low198 Ų198140 Ų14093%0.92578%0.783SS**  trans75.3160.5164.8-72.4-175.9-2600121.8
342Q32.4Very low38.1Very low160 Ų160138.3 Ų138.375%0.74878%0.78SS**  trans-136.7171.9-153.3-71.2-179.8-21.300114.8
343Y30.5Very low37.9Very low205 Ų205139.4 Ų139.480%0.80478%0.778SS**  trans85.5156.5167.1-62.4-82.1000117.6
344P41.2Very low37.2Very low108 Ų108139.9 Ų139.970%0.70178%0.779SS**  -131.1157.8-66.936.4-19.9000113.5
345P37.4Very low36.4Very low138 Ų138140.7 Ų140.790%0.89679%0.787SS**  trans-92.2125.2177.933.6-30.8000113.4
346G32.6Very low36Very low75 Ų75140.3 Ų140.377%0.77379%0.786SS**  trans-94152.6168.700000113.1
347A34.2Very low36Very low87 Ų87136 Ų13672%0.71979%0.786SS**  trans-34.2143.8-179.100000119
348F36.5Very low35.4Very low206 Ų206137.6 Ų137.690%0.90480%0.799SS**  -166.5160.5121.5-90.4-61.1000109.6
349P45Very low35.6Very low108 Ų108137.5 Ų137.570%0.70180%0.799SS**PPolyproline II helixtrans-92.1159.9-152.935.4-39.5000116.2
350P37.7Very low36.1Very low126 Ų126139.3 Ų139.382%0.81880%0.796SS**PPolyproline II helixtrans-78.7123.8167.732-31.9000111.3
351Q33.4Very low36.3Very low171 Ų171139.9 Ų139.980%0.79980%0.801SS**PPolyproline II helixtrans-76.8133.5162.8-92.8-151.8-16.100110.8
352N32.6Very low36.2Very low141 Ų141137.9 Ų137.975%0.75480%0.796SS**PPolyproline II helixtrans-92.7126.6178.3-147.5-76.6000108.5
353Y33.9Very low36.5Very low205 Ų205140.7 Ų140.780%0.80480%0.802SS**  trans-131.5115.4157.7-91.1-75000110.1
354T35.7Very low36.7Very low111 Ų111136.3 Ų136.368%0.68180%0.801SS**  trans-81137.4178.9-176.30000110.8Q356T354-Q356 PolarHBondContact O-N 3.17Å
355S36.1Very low36.7Very low121 Ų121139.6 Ų139.685%0.84681%0.809SS**  trans-88.6100.6171.6-54.60000109.2
356Q34.8Very low37Very low174 Ų174138.6 Ų138.681%0.81380%0.803SS**  trans-84132.5162.4-84.8-1551600110.4T354T354-Q356 PolarHBondContact O-N 3.17Å
357G39.9Very low37.6Very low75 Ų75141.1 Ų141.177%0.77381%0.805SS**  trans-88.8145169.200000111.4
358S36.5Very low38.1Very low123 Ų123142.3 Ų142.386%0.8681%0.808SS**  trans-118.5134.8175.7-68.60000111.4
359Q39.4Very low38.1Very low180 Ų180138.5 Ų138.584%0.84181%0.807SS**PPolyproline II helixtrans-69163.8179-73.3-94.9-6.500112.5
360P44.3Very low37.7Very low118 Ų118142 Ų14277%0.76681%0.814SS**PPolyproline II helixtrans-72.7139.1-179.530.4-35.1000112.5
361A35.8Very low38.3Very low107 Ų107142 Ų14288%0.88481%0.814SS**PPolyproline II helixtrans-92.7134.1176.900000111.8
362N30.6Very low38.2Very low156 Ų156137.8 Ų137.883%0.83482%0.817SS**PPolyproline II helixtrans-88.7155.3-171.8-166.26.9000112.5
363Y38.7Very low38.4Very low219 Ų219137.2 Ų137.286%0.85982%0.824SS**PPolyproline II helixtrans-68.8135.1174.3-113.9-101.2000111.1
364S34.6Very low38.4Very low113 Ų113131.1 Ų131.179%0.7982%0.823SS**  trans-149.1131.316360.60000111.5
365M42Very low38.4Very low178 Ų178136.1 Ų136.188%0.87784%0.836SS**PPolyproline II helixtrans-95.3149.4174.9-69.2-151.9-95.400111.3
366P42Very low38.5Very low117 Ų117139.4 Ų139.476%0.7684%0.838SS**PPolyproline II helixtrans-91.6162.9159.335.4-29.9000112.1
367P47.1Very low39.1Very low128 Ų128137 Ų13783%0.83184%0.838SS**PPolyproline II helixtrans-95172.9-157.637.2-38000116.7
368S44.5Very low38.7Very low111 Ų111145 Ų14578%0.77684%0.844SS**PPolyproline II helixtrans-67146-17853.50000116.9
369S35.4Very low38.9Very low126 Ų126145 Ų14588%0.88184%0.842SS**  trans-162.4137.7142.8-76.40000111.4
370Q36.8Very low38.6Very low183 Ų183139.7 Ų139.786%0.85584%0.835SS**  trans-85.8-172.4172.6-71.4-176.7-3400111.3
371P50.3Low38.2Very low124 Ų124144.3 Ų144.381%0.80584%0.843SS**  -121.1158.4-54.433.2-19.9000111.2
372G31.2Very low38.7Very low83 Ų83145.4 Ų145.486%0.85684%0.839SS**  trans-155.3127.7-17800000115.2
373S37.1Very low39.4Very low129 Ų129143.5 Ų143.590%0.90284%0.835SS**  trans-81.8144.2178.850.10000113.7
374G34.4Very low39.6Very low77 Ų77138.9 Ų138.979%0.79483%0.832SS**  trans137.5102.5157.200000115.4
375F34.3Very low39.9Very low217 Ų217139.9 Ų139.995%0.95284%0.836SS**  trans-83124.2162.1-91-95.5000109.7
376Q38Very low39.6Very low190 Ų190134.7 Ų134.789%0.88883%0.828SS**  trans-119122.8159-80.7-173.8-94.700109.2
377P47.7Very low39.2Very low124 Ų124135.8 Ų135.881%0.80583%0.833SS**PPolyproline II helixtrans-79.3143.6174.431.3-32.7000111.8
378R32.7Very low38.8Very low242 Ų242134.8 Ų134.891%0.91384%0.835SS**PPolyproline II helixtrans-78.7132.1177.1-178.3-178.3177.7-146.81.5110.4
379P40.4Very low38.7Very low124 Ų124135.6 Ų135.681%0.80584%0.835SS**PPolyproline II helixtrans-85.4150.9-176.933.1-35000113.5
380G32.8Very low39.2Very low67 Ų67135.7 Ų135.769%0.69183%0.83SS**  trans115.785.4150.900000117.5
381F36.3Very low39.6Very low215 Ų215132 Ų13294%0.94382%0.822SS**  trans-156.3126.3136.7-117.9-79.2000109.4
382T45.6Very low39.1Very low130 Ų130131.7 Ų131.780%0.79882%0.82SS**  trans-112.3124.9-17448.40000111.3
383P44.8Very low39.8Very low117 Ų117134.3 Ų134.376%0.7682%0.822SS**PPolyproline II helixtrans-79.9154.9168.632.4-33000111.9
384P42.8Very low40.4Very low122 Ų122131.9 Ų131.979%0.79282%0.818SS**PPolyproline II helixtrans-76157.8-18031.9-35.8000113
385P41.3Very low40.6Very low134 Ų134132.9 Ų132.987%0.8782%0.818SS**PPolyproline II helixtrans-92.7146.6-172.235.5-34.6000114.4
386G36.1Very low41.2Very low69 Ų69127.2 Ų127.271%0.71181%0.812SS**  trans113.786.5146.600000118.2
387T33.8Very low41.5Very low140 Ų140124.6 Ų124.686%0.85980%0.804SS**  -170.6107.4118.321.50000108.6V389T387-V389 PolarHBondContact O-N 2.72Å
388A39.2Very low41.7Very low106 Ų106124.3 Ų124.388%0.87680%0.802SS**  trans-86.4107.8173.300000109.1
389V41Very low42.3Very low129 Ų129123.3 Ų123.378%0.78280%0.8SS**  trans-113.5107.2165.6-179.80000108T387T387-V389 PolarHBondContact O-N 2.72Å
390T47.2Very low42.6Very low127 Ų127120.3 Ų120.378%0.77979%0.785SS**PPolyproline II helixtrans-68.5124.1173.8-23.90000109.2
391P45.3Very low43Very low106 Ų106128.6 Ų128.669%0.68880%0.796SS**PPolyproline II helixtrans-71.2142.9171.529.1-33000110.3
392P40.1Very low43.2Very low117 Ų117125.4 Ų125.476%0.7679%0.788SS**PPolyproline II helixtrans-71.6147.7178.629.5-34.7000111.8G394P392-G394 PolarHBondContact O-N 2.93Å
393P44.2Very low43.1Very low139 Ų139129.7 Ų129.790%0.90379%0.79SS**SBendtrans-79.2101.7177.331.6-32.6000110.5
394G50.2Low43Very low78 Ų78129.1 Ų129.180%0.80479%0.786SS**  trans160.353.6176.100000117P392P392-G394 PolarHBondContact O-N 2.93Å
395A38.2Very low42.9Very low97 Ų97132.1 Ų132.180%0.80279%0.789SS**  trans-144.8101.8165.100000109.9
396A46.6Very low42.8Very low99 Ų99136.6 Ų136.682%0.81879%0.79SS**  trans-76.1124.7172.400000109.5P398A396-P398 VanDerWaalsContact O-CD 3.25Å; A396-P398 WeakPolarHBondContact O-CD 3.39Å
397N45Very low42.9Very low134 Ų134136.3 Ų136.372%0.71779%0.788SS**  trans-68114.6173.8-93.8-16.2000110.2Y399 A400N397-Y399 PolarHBondContact O-N 3.36Å; N397-Y399 VanDerWaalsContact O-N 3.13Å; N397-A400 HydrophobicContact CB-CB 4.09Å; N397-A400 PolarHBondContact O-N 2.94Å
398P52.7Low43.1Very low118 Ų118139 Ų13977%0.76679%0.791SS**THydrogen-bonded Turntrans-71.8-7.6-176.728.9-34.4000114A396A396-P398 VanDerWaalsContact O-CD 3.25Å; A396-P398 WeakPolarHBondContact O-CD 3.39Å
399Y45.1Very low42.9Very low221 Ų221137 Ų13787%0.86778%0.779SS**THydrogen-bonded Turntrans-105.22.7177.6-70.1-79.6000114.4N397 R401N397-Y399 PolarHBondContact O-N 3.36Å; N397-Y399 VanDerWaalsContact O-N 3.13Å; Y399-R401 PolarHBondContact O-N 2.64Å
400A46.3Very low42.6Very low61 Ų61142.7 Ų142.750%0.50479%0.789SS.*  trans-75.984.7176.300000111.1N397 N402N397-A400 HydrophobicContact CB-CB 4.09Å; N397-A400 PolarHBondContact O-N 2.94Å; A400-N402 PolarHBondContact O-N 3.25Å; A400-N402 PolarHBondContact O-ND2 3.43Å
401R41.3Very low42.4Very low242 Ų242143 Ų14391%0.91379%0.79SS**  trans-62.5100.5174.6-170.7119-172.4173.12.6109.8Y399 R403Y399-R401 PolarHBondContact O-N 2.64Å; R401-R403 PolarHBondContact O-N 3.09Å; R401-R403 VanDerWaalsContact O-N 3.09Å
402N40.8Very low42.3Very low147 Ų147146.3 Ų146.379%0.78680%0.797SS**  trans-57.2114178.8-90.5-92.7000110.7A400A400-N402 PolarHBondContact O-N 3.25Å; A400-N402 PolarHBondContact O-ND2 3.43Å
403R42.3Very low42.5Very low221 Ų221146.4 Ų146.483%0.83480%0.798SS**  trans-88.1124.1166.1-135.3-178.7-167.9-140.94.8106.8R401 H405R401-R403 PolarHBondContact O-N 3.09Å; R401-R403 VanDerWaalsContact O-N 3.09Å; R403-H405 PolarHBondContact O-N 3.14Å
404P42.7Very low42.3Very low104 Ų104142.8 Ų142.868%0.67579%0.785SS**  trans-65.6133.5174.225.9-32.1000110Y406P404-Y406 PolarHBondContact O-N 3.22Å
405H41.6Very low42.6Very low185 Ų185145.8 Ų145.886%0.85679%0.791SS**  trans-76.2105.4-179.1-58.581.6000109.5R403R403-H405 PolarHBondContact O-N 3.14Å
406Y40.2Very low42.8Very low228 Ų228144 Ų14489%0.89478%0.781SS**  trans-84.6118.5166.4-92.7-87.1000109.8P404P404-Y406 PolarHBondContact O-N 3.22Å
407G36.7Very low42.5Very low64 Ų64150.5 Ų150.566%0.6679%0.786SS**  trans148.368.8166.300000116.5
408Q38Very low42.3Very low197 Ų197159 Ų15992%0.92181%0.808SS**  trans-151140.5146.4-84.5-50.9-14.500112.4
409G36Very low41.8Very low62 Ų62161 Ų16164%0.63981%0.81SS**  trans75.979.3150.400000119.3T411G409-T411 PolarHBondContact O-N 3.34Å
410Y33.4Very low41.6Very low249 Ų249157.8 Ų157.898%0.97681%0.807SS**  trans-78.5100.9151.6-79.8-80.8000109.8
411T42.9Very low41.4Very low133 Ų133163.2 Ų163.282%0.81682%0.824SS**PPolyproline II helixtrans-90.9118.8167.9-53.70000109.3G409G409-T411 PolarHBondContact O-N 3.34Å
412Q43.4Very low41.4Very low177 Ų177158.6 Ų158.683%0.82782%0.819SS**PPolyproline II helixtrans-67.3134.4173.4-79-140.943.200112.1
413P44.9Very low41.4Very low119 Ų119159.3 Ų159.377%0.77382%0.821SS**PPolyproline II helixtrans-89.1117.9155.132.1-26.2000110.2
414G39.3Very low41.4Very low62 Ų62155.2 Ų155.264%0.63982%0.82SS**PPolyproline II helixtrans-72.4167.8171.800000113.1
415P58.2Low41.3Very low142 Ų142158.9 Ų158.992%0.92283%0.83SS**PPolyproline II helixtrans-86.3143.4-172.734.2-34.5000112.9
416G41.2Very low41.3Very low58 Ų58156.8 Ų156.860%0.59883%0.828SS**  trans159.7125.2159.300000116.1
417Y40.2Very low41.3Very low236 Ų236150.9 Ų150.993%0.92582%0.823SS**  trans25.3132.3138.4-46.7-82.6000118.3
418R41.9Very low41.8Very low312 Ų312158.8 Ų158.8100%1.17784%0.838SS**  cis-164045.3-166.1-175.8-160.9-100.85.7112.1

Retrieved 418 of 418 residues in 334.1 ms (Link to these results)