A0A3P9P2A5_POERE Loading...

E2 ubiquitin-conjugating enzyme

AlphaFold DB , UniProt , Accession A0A3P9P2A5, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 147 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
1M83.9Confident95.6Very high201 Ų20175.8 Ų75.899%0.9936%0.358SS*.  0-47.20-76.2-178.1-99.600111.4L3 K4 R5M1-L3 PolarHBondContact O-N 3.27Å; M1-K4 PolarHBondContact O-N 3.06Å; M1-R5 PolarHBondContact O-N 3.48Å; M1-R5 VanDerWaalsContact O-N 3.13Å
2A94.9Very high95.5Very high8 Ų874.1 Ų74.17%0.06635%0.353CS..Hα-helixtrans-50.1-55.2174.500000114.2K4 R5 I6 F31 T58 Y60A2-K4 VanDerWaalsContact C-N 3.33Å; A2-K4 PolarHBondContact O-N 2.88Å; A2-R5 WeakPolarHBondContact O-CA 3.46Å; A2-R5 WeakPolarHBondContact O-CB 3.35Å; A2-R5 PolarHBondContact O-N 3.22Å; A2-I6 WeakPolarHBondContact O-CG1 3.02Å; A2-I6 PolarHBondContact O-N 3.47Å; A2-F31 HydrophobicContact CB-CE1 3.91Å; A2-F31 HydrophobicContact CB-CZ 4.07Å; A2-T58 WeakPolarHBondContact CB-O 3.44Å; A2-Y60 WeakPolarHBondContact CA-O 3.42Å; A2-Y60 VanDerWaalsContact CB-O 3.23Å; A2-Y60 WeakPolarHBondContact CB-O 3.49Å
3L96.6Very high95.2Very high88 Ų8869.5 Ų69.546%0.46133%0.331SS..Hα-helixtrans-56.8-42.8-179.7-177.761.9000113.4M1 R5 I6 Q7 M30 F31M1-L3 PolarHBondContact O-N 3.27Å; L3-R5 VanDerWaalsContact C-N 3.29Å; L3-R5 PolarHBondContact O-N 3.34Å; L3-I6 PolarHBondContact O-N 3.17Å; L3-Q7 WeakPolarHBondContact O-CB 3.39Å; L3-Q7 PolarHBondContact O-N 3.08Å; L3-M30 HydrophobicContact CD1-CB 3.5Å; L3-M30 HydrophobicContact CD1-CG 3.89Å; L3-F31 HydrophobicContact CB-CE2 4.32Å; L3-F31 HydrophobicContact CB-CZ 4.3Å; L3-F31 HydrophobicContact CD1-CE2 4.19Å
4K97.1Very high94.9Very high173 Ų17374.2 Ų74.275%0.75235%0.353SS*.Hα-helixtrans-61.3-39.1175.9-70.6-172.6177.9-176.40111.7M1 A2 K8M1-K4 PolarHBondContact O-N 3.06Å; A2-K4 VanDerWaalsContact C-N 3.33Å; A2-K4 PolarHBondContact O-N 2.88Å; K4-K8 WeakPolarHBondContact O-CB 3.39Å; K4-K8 PolarHBondContact O-N 2.79Å; K4-K8 VanDerWaalsContact O-N 3.12Å
5R97.6Very high94.6Very high58 Ų5881.9 Ų81.922%0.21938%0.377CS..Hα-helixtrans-66.9-46.4176.2173.162.1-176.1-96.9-12.8111.3M1 A2 L3 K8 E9 Y60 P61 P95 L97M1-R5 PolarHBondContact O-N 3.48Å; M1-R5 VanDerWaalsContact O-N 3.13Å; A2-R5 WeakPolarHBondContact O-CA 3.46Å; A2-R5 WeakPolarHBondContact O-CB 3.35Å; A2-R5 PolarHBondContact O-N 3.22Å; L3-R5 VanDerWaalsContact C-N 3.29Å; L3-R5 PolarHBondContact O-N 3.34Å; R5-K8 WeakPolarHBondContact O-CB 3.43Å; R5-K8 PolarHBondContact O-N 3.43Å; R5-E9 IonicContact CZ-OE1 3.14Å; R5-E9 IonicContact NE-OE1 2.69Å; R5-E9 PolarHBondContact NE-OE1 3.47Å; R5-E9 IonicContact NH2-OE1 2.74Å; R5-E9 PolarHBondContact NH2-OE1 2.73Å; R5-E9 PolarHBondContact O-N 3.02Å; R5-Y60 HydrophobicContact CB-CD1 4.48Å; R5-Y60 HydrophobicContact CG-CD1 3.9Å; R5-Y60 HydrophobicContact CG-CE1 3.67Å; R5-P61 HydrophobicContact CG-CB 4.35Å; R5-P61 HydrophobicContact CG-CG 4.19Å; R5-P95 PolarHBondContact NH1-O 3.43Å; R5-P95 PolarHBondContact NH2-O 2.99Å; R5-P95 VanDerWaalsContact NH2-O 3.13Å; R5-L97 PolarHBondContact NH2-O 3.31Å
6I97.9Very high94.2Very high0 Ų084.6 Ų84.60%040%0.395CS..Hα-helixtrans-60.9-45.8178.2-65.3168.3000110.8A2 L3 K8 E9 L10 M30 F31 W33 F56 Y60A2-I6 WeakPolarHBondContact O-CG1 3.02Å; A2-I6 PolarHBondContact O-N 3.47Å; L3-I6 PolarHBondContact O-N 3.17Å; I6-K8 VanDerWaalsContact C-N 3.3Å; I6-K8 PolarHBondContact O-N 3.35Å; I6-E9 PolarHBondContact O-N 3.02Å; I6-L10 PolarHBondContact O-N 3.05Å; I6-M30 HydrophobicContact CG2-CE 4.07Å; I6-M30 WeakPolarHBondContact CG2-O 3.4Å; I6-F31 HydrophobicContact CD1-CD1 3.7Å; I6-F31 HydrophobicContact CD1-CE1 3.64Å; I6-F31 HydrophobicContact CD1-CG 4.17Å; I6-F31 HydrophobicContact CD1-CZ 4.07Å; I6-W33 HydrophobicContact CG2-CH2 4.45Å; I6-W33 HydrophobicContact CG2-CZ2 3.48Å; I6-W33 VanDerWaalsContact CG2-CZ2 3.48Å; I6-F56 HydrophobicContact CD1-CB 3.71Å; I6-F56 HydrophobicContact CD1-CD1 4.03Å; I6-F56 HydrophobicContact CD1-CD2 4.1Å; I6-F56 HydrophobicContact CD1-CG 3.7Å; I6-F56 HydrophobicContact CG1-CD1 3.9Å; I6-F56 HydrophobicContact CG1-CD2 4.46Å; I6-F56 HydrophobicContact CG1-CE1 4.07Å; I6-F56 HydrophobicContact CG1-CG 4.06Å; I6-F56 HydrophobicContact CG1-CZ 4.41Å; I6-F56 HydrophobicContact CG2-CE2 4.22Å; I6-F56 HydrophobicContact CG2-CZ 4.22Å; I6-Y60 HydrophobicContact CD1-CD1 4.44Å; I6-Y60 HydrophobicContact CG1-CD1 3.78Å; I6-Y60 HydrophobicContact CG1-CE1 4.18Å
7Q97.1Very high93.6Very high76 Ų7684.6 Ų84.636%0.35541%0.405SS..Hα-helixtrans-60.7-40.4177.1-170.565.850.800112L3 L10 N11L3-Q7 WeakPolarHBondContact O-CB 3.39Å; L3-Q7 PolarHBondContact O-N 3.08Å; Q7-L10 PolarHBondContact O-N 2.87Å; Q7-N11 PolarHBondContact NE2-OD1 3.34Å; Q7-N11 PolarHBondContact O-N 3.45Å; Q7-N11 PolarHBondContact O-OD1 3.33Å
8K96.9Very high93.1Very high130 Ų13081.1 Ų81.157%0.56539%0.39SS*.Hα-helixtrans-61.4-46.7175.4-176.9-179.3176.4-177.20111.1K4 R5 I6 L10 N11 D12K4-K8 WeakPolarHBondContact O-CB 3.39Å; K4-K8 PolarHBondContact O-N 2.79Å; K4-K8 VanDerWaalsContact O-N 3.12Å; R5-K8 WeakPolarHBondContact O-CB 3.43Å; R5-K8 PolarHBondContact O-N 3.43Å; I6-K8 VanDerWaalsContact C-N 3.3Å; I6-K8 PolarHBondContact O-N 3.35Å; K8-L10 VanDerWaalsContact C-N 3.32Å; K8-L10 PolarHBondContact O-N 3.17Å; K8-N11 PolarHBondContact O-N 2.96Å; K8-D12 PolarHBondContact O-N 3.34Å
9E97.1Very high92.6Very high7 Ų782.9 Ų82.93%0.03342%0.42CS..Hα-helixtrans-64.7-35178-71.6-166.6-153.400113.1R5 I6 D12 L13 Y60 T98 I99R5-E9 IonicContact CZ-OE1 3.14Å; R5-E9 IonicContact NE-OE1 2.69Å; R5-E9 PolarHBondContact NE-OE1 3.47Å; R5-E9 IonicContact NH2-OE1 2.74Å; R5-E9 PolarHBondContact NH2-OE1 2.73Å; R5-E9 PolarHBondContact O-N 3.02Å; I6-E9 PolarHBondContact O-N 3.02Å; E9-D12 PolarHBondContact O-N 2.98Å; E9-L13 WeakPolarHBondContact O-CB 3.4Å; E9-L13 WeakPolarHBondContact O-CG 3.34Å; E9-L13 PolarHBondContact O-N 3.27Å; E9-Y60 PolarHBondContact OE1-OH 2.87Å; E9-Y60 PolarHBondContact OE2-OH 3.35Å; E9-T98 HydrophobicContact CG-CG2 4.28Å; E9-T98 VanDerWaalsContact OE2-CA 3.24Å; E9-T98 WeakPolarHBondContact OE2-CA 3.48Å; E9-T98 VanDerWaalsContact OE2-CB 3.29Å; E9-T98 WeakPolarHBondContact OE2-CB 3.14Å; E9-I99 PolarHBondContact OE2-N 2.75Å
10L96.6Very high92.3Very high13 Ų1380.8 Ų80.87%0.06841%0.412CS..Hα-helixtrans-61.9-47.3173.1-177.659.6000111I6 Q7 K8 D12 L13 Q14 P25 M30 W33I6-L10 PolarHBondContact O-N 3.05Å; Q7-L10 PolarHBondContact O-N 2.87Å; K8-L10 VanDerWaalsContact C-N 3.32Å; K8-L10 PolarHBondContact O-N 3.17Å; L10-D12 VanDerWaalsContact C-N 3.32Å; L10-D12 PolarHBondContact O-N 3.48Å; L10-L13 PolarHBondContact O-N 3.28Å; L10-Q14 WeakPolarHBondContact O-CG 3.35Å; L10-Q14 PolarHBondContact O-N 3.28Å; L10-P25 HydrophobicContact CD2-CG 4.25Å; L10-M30 HydrophobicContact CD2-CE 3.84Å; L10-W33 HydrophobicContact CB-CH2 3.71Å; L10-W33 HydrophobicContact CB-CZ2 3.78Å; L10-W33 HydrophobicContact CD1-CH2 3.96Å; L10-W33 HydrophobicContact CD1-CZ2 4.14Å; L10-W33 HydrophobicContact CD1-CZ3 4.49Å; L10-W33 HydrophobicContact CG-CH2 4.41Å; L10-W33 HydrophobicContact CG-CZ2 4.38Å
11N95.8Very high92.3Very high80 Ų8077.1 Ų77.143%0.42839%0.394SS..Hα-helixtrans-63.3-40.3178.3-65.4-6.9000111.5Q7 K8 Q14 R15Q7-N11 PolarHBondContact NE2-OD1 3.34Å; Q7-N11 PolarHBondContact O-N 3.45Å; Q7-N11 PolarHBondContact O-OD1 3.33Å; K8-N11 PolarHBondContact O-N 2.96Å; N11-Q14 PolarHBondContact O-N 2.96Å; N11-R15 WeakPolarHBondContact O-CB 3.42Å; N11-R15 PolarHBondContact O-N 2.96Å
12D93.9Very high92.7Very high55 Ų5570.7 Ų70.729%0.29437%0.369SS..Hα-helixtrans-65.3-41.8177.1-74.2-33.1000111.3K8 E9 L10 R15 D16K8-D12 PolarHBondContact O-N 3.34Å; E9-D12 PolarHBondContact O-N 2.98Å; L10-D12 VanDerWaalsContact C-N 3.32Å; L10-D12 PolarHBondContact O-N 3.48Å; D12-R15 PolarHBondContact O-N 2.93Å; D12-R15 IonicContact OD1-CZ 3.56Å; D12-R15 IonicContact OD1-NH1 3.91Å; D12-R15 IonicContact OD1-NH2 2.81Å; D12-R15 PolarHBondContact OD1-NH2 3.47Å; D12-D16 PolarHBondContact O-N 2.95Å
13L92.3Very high92.8Very high14 Ų1471.5 Ų71.57%0.07338%0.376CS..Hα-helixtrans-63.3-37.9174.1-85.7166.3000113E9 L10 D16 P17 P18 W33 I99E9-L13 WeakPolarHBondContact O-CB 3.4Å; E9-L13 WeakPolarHBondContact O-CG 3.34Å; E9-L13 PolarHBondContact O-N 3.27Å; L10-L13 PolarHBondContact O-N 3.28Å; L13-D16 CarbonylContact O-C 3.56Å; L13-P17 VanDerWaalsContact O-CA 3.23Å; L13-P17 WeakPolarHBondContact O-CA 3.5Å; L13-P18 HydrophobicContact CD2-CG 4.14Å; L13-W33 HydrophobicContact CD1-CH2 4.17Å; L13-W33 HydrophobicContact CD1-CZ3 3.59Å; L13-I99 HydrophobicContact CD1-CG2 4.31Å
14Q90.3Very high92.8Very high136 Ų13668.2 Ų68.264%0.63636%0.363SS*.Hα-helixtrans-70.8-34.1177.1-74.5176.7-1400112.2L10 N11L10-Q14 WeakPolarHBondContact O-CG 3.35Å; L10-Q14 PolarHBondContact O-N 3.28Å; N11-Q14 PolarHBondContact O-N 2.96Å
15R91.1Very high92.8Very high189 Ų18962.1 Ų62.171%0.71334%0.341SS*.Hα-helixtrans-73.7-38.8178-173.4-179.665.9-150-15.6112.1N11 D12N11-R15 WeakPolarHBondContact O-CB 3.42Å; N11-R15 PolarHBondContact O-N 2.96Å; D12-R15 PolarHBondContact O-N 2.93Å; D12-R15 IonicContact OD1-CZ 3.56Å; D12-R15 IonicContact OD1-NH1 3.91Å; D12-R15 IonicContact OD1-NH2 2.81Å; D12-R15 PolarHBondContact OD1-NH2 3.47Å
16D87.9Confident92.7Very high125 Ų12562.4 Ų62.467%0.66835%0.349SS*.SBendtrans-135.977.3-177.2-170.425.5000110.4D12 L13D12-D16 PolarHBondContact O-N 2.95Å; L13-D16 CarbonylContact O-C 3.56Å
17P84.3Confident92.5Very high86 Ų8665.7 Ų65.756%0.55838%0.383SS*.  trans-72.1133.9-176.527.9-33.3000110.9L13 A19L13-P17 VanDerWaalsContact O-CA 3.23Å; L13-P17 WeakPolarHBondContact O-CA 3.5Å; P17-A19 PolarHBondContact O-N 2.89Å
18P84.9Confident92.3Very high21 Ų2171.4 Ų71.414%0.13641%0.41CS..  trans-63.8136.2173.27.7-3.6000110.6L13 S20 C21 L104L13-P18 HydrophobicContact CD2-CG 4.14Å; P18-S20 PolarHBondContact O-N 3.24Å; P18-S20 VanDerWaalsContact O-N 3.1Å; P18-C21 HydrophobicContact CB-CB 4.33Å; P18-C21 WeakPolarHBondContact CD-O 3.32Å; P18-C21 HydrophobicContact CG-CB 4.29Å; P18-C21 VanDerWaalsContact CG-O 3.28Å; P18-C21 WeakPolarHBondContact CG-O 3.48Å; P18-C21 PolarHBondContact O-N 2.99Å; P18-L104 HydrophobicContact CB-CD2 4.02Å
19A82.1Confident92.2Very high116 Ų11669.1 Ų69.196%0.95940%0.404SS*.THydrogen-bonded Turntrans-57.4-32.7-171.700000114.4P17P17-A19 PolarHBondContact O-N 2.89Å
20S86.8Confident92.2Very high39 Ų3970.4 Ų70.427%0.27341%0.41SS..THydrogen-bonded Turntrans-112.82.1-175.157.70000114.3P18 I37 T38P18-S20 PolarHBondContact O-N 3.24Å; P18-S20 VanDerWaalsContact O-N 3.1Å; S20-I37 WeakPolarHBondContact O-CA 3.43Å; S20-T38 VanDerWaalsContact CA-OG1 3.27Å; S20-T38 WeakPolarHBondContact CA-OG1 3.45Å; S20-T38 WeakPolarHBondContact CB-OG1 3.24Å; S20-T38 PolarHBondContact O-N 3.44Å; S20-T38 PolarHBondContact O-OG1 2.82Å; S20-T38 VanDerWaalsContact O-OG1 3.07Å
21C92.4Very high92.3Very high5 Ų572.5 Ų72.53%0.03442%0.419CS..EExtended strand (participates in β ladder)trans-141.2133.7-172.2-22.60000108.9P18 T36 I37 L103 C107P18-C21 HydrophobicContact CB-CB 4.33Å; P18-C21 WeakPolarHBondContact CD-O 3.32Å; P18-C21 HydrophobicContact CG-CB 4.29Å; P18-C21 VanDerWaalsContact CG-O 3.28Å; P18-C21 WeakPolarHBondContact CG-O 3.48Å; P18-C21 PolarHBondContact O-N 2.99Å; C21-T36 CarbonylContact C-O 3.16Å; C21-T36 VanDerWaalsContact CA-O 3.25Å; C21-T36 WeakPolarHBondContact CA-O 3.43Å; C21-I37 HydrophobicContact CB-CG1 4.13Å; C21-L103 HydrophobicContact CB-CB 4.05Å; C21-C107 WeakPolarHBondContact CB-SG 3.41Å; C21-C107 WeakPolarHBondContact SG-CB 3.47Å; C21-C107 CovalentContact SG-SG 2.12Å; C21-C107 PolarHBondContact SG-SG 3.03Å
22S93.6Very high92.4Very high65 Ų6571 Ų7146%0.45541%0.409SS..EExtended strand (participates in β ladder)trans-130154.4175.769.80000110.5A35 T36S22-A35 CarbonylContact O-C 3.57Å; S22-A35 WeakPolarHBondContact O-CA 3.45Å; S22-A35 WeakPolarHBondContact O-CB 3.28Å; S22-T36 PolarHBondContact N-O 2.85Å; S22-T36 PolarHBondContact O-N 2.89Å; S22-T36 WeakPolarHBondContact OG-CB 3.29Å
23A96.3Very high92.6Very high25 Ų2568.4 Ų68.421%0.20740%0.395CS..EExtended strand (participates in β ladder)trans-157.9153175.700000112.9W33 Q34 A35 I99 L103A23-W33 HydrophobicContact CB-CE3 3.98Å; A23-W33 HydrophobicContact CB-CZ3 4.38Å; A23-Q34 VanDerWaalsContact CA-O 3.26Å; A23-Q34 WeakPolarHBondContact CA-O 3.37Å; A23-A35 HydrophobicContact CB-CB 3.7Å; A23-I99 HydrophobicContact CB-CG2 4.48Å; A23-L103 HydrophobicContact CB-CD1 3.8Å
24G96.4Very high92.9Very high19 Ų1972.4 Ų72.420%0.19641%0.414CS..EExtended strand (participates in β ladder)trans-170.3169.2174.500000113W33 Q34G24-W33 CarbonylContact O-C 3.55Å; G24-W33 WeakPolarHBondContact O-CA 3.41Å; G24-W33 WeakPolarHBondContact O-CB 3.47Å; G24-Q34 PolarHBondContact N-O 3.31Å; G24-Q34 PolarHBondContact O-N 3.27Å
25P97.4Very high93.2Very high45 Ų4566 Ų6629%0.29238%0.383SS..EExtended strand (participates in β ladder)trans-64.8146.4179.828.4-35.3000112.3L10 M30 H32 W33L10-P25 HydrophobicContact CD2-CG 4.25Å; P25-M30 HydrophobicContact CB-SD 3.93Å; P25-M30 HydrophobicContact CG-SD 3.88Å; P25-H32 WeakPolarHBondContact CA-O 3.36Å; P25-W33 VanDerWaalsContact CA-CD1 3.41Å
26V95.7Very high93.5Very high64 Ų6458.3 Ų58.339%0.38836%0.358SS..EExtended strand (participates in β ladder)trans-92108.6173.2-1780000108.4E28 H32 Q34V26-E28 PolarHBondContact O-N 3.3Å; V26-H32 PolarHBondContact N-O 2.85Å; V26-Q34 HydrophobicContact CG2-CB 3.7Å
27G93.7Very high93.9Very high69 Ų6952.3 Ų52.371%0.71133%0.326SS*.THydrogen-bonded Turntrans65.6-129.2-176.200000111.6
28E92.6Very high94.5Very high197 Ų19751.3 Ų51.392%0.92132%0.318SS*.THydrogen-bonded Turntrans-96.5-9-177.4-60-173.8169.400113.5V26 M30V26-E28 PolarHBondContact O-N 3.3Å; E28-M30 PolarHBondContact O-N 3.07Å
29D95.1Very high95.1Very high81 Ų8150.5 Ų50.543%0.43331%0.314SS..EExtended strand (participates in β ladder)trans-81.2101.3-178.9-174.55.2000111.4F31 H32D29-F31 PolarHBondContact O-N 2.89Å; D29-F31 WeakPolarHBondContact OD1-CB 3.21Å; D29-F31 PolarHBondContact OD1-N 3.15Å; D29-H32 HydrophobicContact CB-CB 4.27Å; D29-H32 PolarHBondContact O-N 2.68Å; D29-H32 WeakPolarHBondContact OD2-CB 3.27Å
30M96.8Very high95.7Very high34 Ų3446 Ų4617%0.16728%0.275CS..EExtended strand (participates in β ladder)trans-65.3-16.1176.4-70.6-61.9-59.200113.9L3 I6 L10 P25 E28 W33L3-M30 HydrophobicContact CD1-CB 3.5Å; L3-M30 HydrophobicContact CD1-CG 3.89Å; I6-M30 HydrophobicContact CG2-CE 4.07Å; I6-M30 WeakPolarHBondContact CG2-O 3.4Å; L10-M30 HydrophobicContact CD2-CE 3.84Å; P25-M30 HydrophobicContact CB-SD 3.93Å; P25-M30 HydrophobicContact CG-SD 3.88Å; E28-M30 PolarHBondContact O-N 3.07Å; M30-W33 PolarHBondContact O-NE1 2.92Å
31F98.1Very high95.9Very high57 Ų5750 Ų5025%0.2529%0.293CS..EExtended strand (participates in β ladder)trans-92.3-7.5177.8-71.2-100.7000113.2A2 L3 I6 D29 H55 F56A2-F31 HydrophobicContact CB-CE1 3.91Å; A2-F31 HydrophobicContact CB-CZ 4.07Å; L3-F31 HydrophobicContact CB-CE2 4.32Å; L3-F31 HydrophobicContact CB-CZ 4.3Å; L3-F31 HydrophobicContact CD1-CE2 4.19Å; I6-F31 HydrophobicContact CD1-CD1 3.7Å; I6-F31 HydrophobicContact CD1-CE1 3.64Å; I6-F31 HydrophobicContact CD1-CG 4.17Å; I6-F31 HydrophobicContact CD1-CZ 4.07Å; D29-F31 PolarHBondContact O-N 2.89Å; D29-F31 WeakPolarHBondContact OD1-CB 3.21Å; D29-F31 PolarHBondContact OD1-N 3.15Å; F31-H55 WeakPolarHBondContact O-CA 3.44Å; F31-F56 HydrophobicContact CB-CB 4.45Å; F31-F56 HydrophobicContact CD1-CB 3.84Å; F31-F56 WeakPolarHBondContact O-CD2 3.25Å; F31-F56 PolarHBondContact O-N 3.14Å
32H98.3Very high95.7Very high49 Ų4957.9 Ų57.923%0.22734%0.335CS..EExtended strand (participates in β ladder)trans-118.6113174.5-178.9-151.5000110.6P25 V26 D29 S53 H55P25-H32 WeakPolarHBondContact CA-O 3.36Å; V26-H32 PolarHBondContact N-O 2.85Å; D29-H32 HydrophobicContact CB-CB 4.27Å; D29-H32 PolarHBondContact O-N 2.68Å; D29-H32 WeakPolarHBondContact OD2-CB 3.27Å; H32-S53 PolarHBondContact NE2-OG 3.26Å; H32-S53 VanDerWaalsContact NE2-OG 3.1Å; H32-H55 AromaticContact CD2-CD2 3.93Å; H32-H55 AromaticContact CD2-CE1 3.31Å; H32-H55 PolarHBondContact CD2-CE1 2.86Å; H32-H55 AromaticContact CD2-ND1 3.77Å; H32-H55 AromaticContact CD2-NE2 3.44Å; H32-H55 PolarHBondContact CD2-NE2 2.77Å; H32-H55 AromaticContact CG-NE2 3.74Å; H32-H55 AromaticContact NE2-CE1 3.41Å; H32-H55 PolarHBondContact NE2-CE1 2.68Å; H32-H55 AromaticContact NE2-NE2 3.76Å
33W98.3Very high95.7Very high0 Ų055.4 Ų55.40%032%0.317CS..EExtended strand (participates in β ladder)trans-114.8152.3179.8-73.525.6000111.4I6 L10 L13 A23 G24 P25 M30 V54 F56 I99I6-W33 HydrophobicContact CG2-CH2 4.45Å; I6-W33 HydrophobicContact CG2-CZ2 3.48Å; I6-W33 VanDerWaalsContact CG2-CZ2 3.48Å; L10-W33 HydrophobicContact CB-CH2 3.71Å; L10-W33 HydrophobicContact CB-CZ2 3.78Å; L10-W33 HydrophobicContact CD1-CH2 3.96Å; L10-W33 HydrophobicContact CD1-CZ2 4.14Å; L10-W33 HydrophobicContact CD1-CZ3 4.49Å; L10-W33 HydrophobicContact CG-CH2 4.41Å; L10-W33 HydrophobicContact CG-CZ2 4.38Å; L13-W33 HydrophobicContact CD1-CH2 4.17Å; L13-W33 HydrophobicContact CD1-CZ3 3.59Å; A23-W33 HydrophobicContact CB-CE3 3.98Å; A23-W33 HydrophobicContact CB-CZ3 4.38Å; G24-W33 CarbonylContact O-C 3.55Å; G24-W33 WeakPolarHBondContact O-CA 3.41Å; G24-W33 WeakPolarHBondContact O-CB 3.47Å; P25-W33 VanDerWaalsContact CA-CD1 3.41Å; M30-W33 PolarHBondContact O-NE1 2.92Å; W33-V54 HydrophobicContact CB-CB 4.01Å; W33-V54 PolarHBondContact N-O 3Å; W33-V54 PolarHBondContact O-N 3.47Å; W33-F56 HydrophobicContact CB-CE2 4.29Å; W33-F56 AromaticContact CD1-CE2 3.68Å; W33-F56 AromaticContact CD2-CE2 3.6Å; W33-F56 HydrophobicContact CD2-CE2 3.6Å; W33-F56 AromaticContact CD2-CZ 3.96Å; W33-F56 HydrophobicContact CD2-CZ 3.96Å; W33-F56 AromaticContact CE2-CE2 3.65Å; W33-F56 AromaticContact CE2-CZ 3.99Å; W33-F56 HydrophobicContact CE3-CE2 4.16Å; W33-F56 HydrophobicContact CE3-CZ 4.1Å; W33-F56 AromaticContact CG-CE2 3.65Å; W33-F56 HydrophobicContact CG-CE2 3.65Å; W33-F56 HydrophobicContact CG-CZ 4.45Å; W33-F56 HydrophobicContact CH2-CZ 4.31Å; W33-F56 HydrophobicContact CZ2-CE2 4.27Å; W33-F56 HydrophobicContact CZ2-CZ 4.19Å; W33-F56 HydrophobicContact CZ3-CZ 4.26Å; W33-F56 AromaticContact NE1-CE2 3.68Å; W33-I99 HydrophobicContact CE3-CG2 4.38Å; W33-I99 HydrophobicContact CZ3-CB 4.48Å; W33-I99 HydrophobicContact CZ3-CG2 4.22Å
34Q98.2Very high95.8Very high99 Ų9955 Ų5546%0.46331%0.312SS..EExtended strand (participates in β ladder)trans-105.8136.4163-178.5171.278.600108.3A23 G24 V26 F51 L52A23-Q34 VanDerWaalsContact CA-O 3.26Å; A23-Q34 WeakPolarHBondContact CA-O 3.37Å; G24-Q34 PolarHBondContact N-O 3.31Å; G24-Q34 PolarHBondContact O-N 3.27Å; V26-Q34 HydrophobicContact CG2-CB 3.7Å; Q34-F51 HydrophobicContact CG-CD1 4.46Å; Q34-L52 WeakPolarHBondContact CA-O 3.46Å
35A97.8Very high95.9Very high0 Ų054 Ų540%030%0.303CS..EExtended strand (participates in β ladder)trans-119.8154.1171.700000110.4S22 A23 F51 L52 V54 L103S22-A35 CarbonylContact O-C 3.57Å; S22-A35 WeakPolarHBondContact O-CA 3.45Å; S22-A35 WeakPolarHBondContact O-CB 3.28Å; A23-A35 HydrophobicContact CB-CB 3.7Å; A35-F51 CarbonylContact O-C 3.44Å; A35-F51 WeakPolarHBondContact O-CA 3.39Å; A35-L52 HydrophobicContact CB-CB 4.29Å; A35-L52 PolarHBondContact N-O 3.09Å; A35-L52 PolarHBondContact O-N 3.32Å; A35-V54 HydrophobicContact CB-CG2 4.27Å; A35-L103 HydrophobicContact CB-CD1 4.12Å; A35-L103 HydrophobicContact CB-CD2 3.69Å
36T96.9Very high95.9Very high28 Ų2856.9 Ų56.917%0.17231%0.312CS..EExtended strand (participates in β ladder)trans-126.7135.9175.8-51.90000108.7C21 S22 V49 F50 F51C21-T36 CarbonylContact C-O 3.16Å; C21-T36 VanDerWaalsContact CA-O 3.25Å; C21-T36 WeakPolarHBondContact CA-O 3.43Å; S22-T36 PolarHBondContact N-O 2.85Å; S22-T36 PolarHBondContact O-N 2.89Å; S22-T36 WeakPolarHBondContact OG-CB 3.29Å; T36-V49 HydrophobicContact CG2-CG1 3.26Å; T36-F50 CarbonylContact C-O 3.42Å; T36-F50 WeakPolarHBondContact CA-O 3.28Å; T36-F51 HydrophobicContact CG2-CD1 4.45Å; T36-F51 HydrophobicContact CG2-CE1 4.27Å
37I96.9Very high95.9Very high0 Ų056 Ų560%032%0.315CS..EExtended strand (participates in β ladder)trans-122123172.5-67.3176.5000107.8S20 C21 F50 L52 L103 I106 C107 L110S20-I37 WeakPolarHBondContact O-CA 3.43Å; C21-I37 HydrophobicContact CB-CG1 4.13Å; I37-F50 PolarHBondContact N-O 3.33Å; I37-F50 PolarHBondContact O-N 2.93Å; I37-L52 HydrophobicContact CB-CD1 4.2Å; I37-L52 HydrophobicContact CD1-CD1 3.71Å; I37-L52 HydrophobicContact CD1-CD2 4.18Å; I37-L52 HydrophobicContact CG1-CD1 3.74Å; I37-L103 HydrophobicContact CD1-CD2 4.4Å; I37-I106 HydrophobicContact CD1-CB 4Å; I37-I106 HydrophobicContact CD1-CG2 3.57Å; I37-C107 VanDerWaalsContact CG1-SG 3.56Å; I37-C107 WeakPolarHBondContact CG2-SG 3.29Å; I37-L110 HydrophobicContact CG2-CD1 3.94Å
38T96.8Very high96.1Very high64 Ų6452.7 Ų52.739%0.39328%0.282SS..EExtended strand (participates in β ladder)trans-79.8131167.554.20000109S20S20-T38 VanDerWaalsContact CA-OG1 3.27Å; S20-T38 WeakPolarHBondContact CA-OG1 3.45Å; S20-T38 WeakPolarHBondContact CB-OG1 3.24Å; S20-T38 PolarHBondContact O-N 3.44Å; S20-T38 PolarHBondContact O-OG1 2.82Å; S20-T38 VanDerWaalsContact O-OG1 3.07Å
39G96.6Very high96.3Very high5 Ų546 Ų465%0.05225%0.254CS..PPolyproline II helixtrans-56.5126.9179.200000112.3Y45 G48G39-Y45 WeakPolarHBondContact CA-O 3.17Å; G39-G48 PolarHBondContact N-O 3.37Å
40P95.2Very high96.5Very high21 Ų2142.1 Ų42.114%0.13623%0.234CC..PPolyproline II helixtrans-59.5144.5-177.8-2533.7000113.3D42 S43 H46 L110 C111P40-D42 VanDerWaalsContact C-N 3.34Å; P40-D42 PolarHBondContact O-N 3.29Å; P40-S43 WeakPolarHBondContact O-CB 3.42Å; P40-S43 PolarHBondContact O-N 2.98Å; P40-S43 VanDerWaalsContact O-N 3.14Å; P40-S43 PolarHBondContact O-OG 2.98Å; P40-H46 WeakPolarHBondContact O-CA 3.36Å; P40-H46 WeakPolarHBondContact O-CB 3.41Å; P40-L110 HydrophobicContact CG-CB 4.33Å; P40-C111 WeakPolarHBondContact CB-SG 3.35Å; P40-C111 VanDerWaalsContact CG-SG 3.51Å
41N90.5Very high96.6Very high122 Ų12244.4 Ų44.465%0.65224%0.243SC*.THydrogen-bonded Turntrans-61-36-172.1-67.8-18.1000114.8S43 H46N41-S43 VanDerWaalsContact C-N 3.29Å; N41-S43 PolarHBondContact O-N 3.39Å; N41-H46 WeakPolarHBondContact CA-ND1 3.23Å; N41-H46 PolarHBondContact OD1-CE1 3.46Å; N41-H46 PolarHBondContact OD1-ND1 3.33Å
42D87.7Confident96.6Very high172 Ų17241.7 Ų41.792%0.9223%0.231SC*.THydrogen-bonded Turntrans-95.922.2-179-59.5-51.9000112.9P40P40-D42 VanDerWaalsContact C-N 3.34Å; P40-D42 PolarHBondContact O-N 3.29Å
43S95.4Very high96.6Very high12 Ų1240.6 Ų40.68%0.08423%0.228CC..SBendtrans-117.215918080.70000111.2P40 N41 Y45 H46P40-S43 WeakPolarHBondContact O-CB 3.42Å; P40-S43 PolarHBondContact O-N 2.98Å; P40-S43 VanDerWaalsContact O-N 3.14Å; P40-S43 PolarHBondContact O-OG 2.98Å; N41-S43 VanDerWaalsContact C-N 3.29Å; N41-S43 PolarHBondContact O-N 3.39Å; S43-Y45 PolarHBondContact O-N 3.1Å; S43-Y45 WeakPolarHBondContact OG-CB 3.5Å; S43-Y45 PolarHBondContact OG-N 2.79Å; S43-Y45 VanDerWaalsContact OG-N 3.15Å; S43-H46 PolarHBondContact O-N 3.3Å; S43-H46 VanDerWaalsContact O-N 3.17Å
44P97.7Very high96.6Very high16 Ų1640.6 Ų40.610%0.10423%0.229CC..THydrogen-bonded Turntrans-65-4.717130.1-36.5000113.4Y134 N135 A138 R139 T142P44-Y134 HydrophobicContact CG-CE1 4.19Å; P44-N135 HydrophobicContact CB-CB 4.48Å; P44-A138 HydrophobicContact CB-CB 3.59Å; P44-A138 HydrophobicContact CG-CB 3.6Å; P44-R139 HydrophobicContact CB-CG 3.81Å; P44-R139 WeakPolarHBondContact O-CA 3.5Å; P44-R139 WeakPolarHBondContact O-CG 3.47Å; P44-T142 PolarHBondContact O-OG1 3.22Å
45Y98.2Very high96.6Very high0 Ų039.9 Ų39.90%023%0.225CC..THydrogen-bonded Turntrans-92.1-6.7178-49.2-65.2000113.5G39 S43 G47 G48 F50 I73 Y74 H75 L110 Y134 A138 T142G39-Y45 WeakPolarHBondContact CA-O 3.17Å; S43-Y45 PolarHBondContact O-N 3.1Å; S43-Y45 WeakPolarHBondContact OG-CB 3.5Å; S43-Y45 PolarHBondContact OG-N 2.79Å; S43-Y45 VanDerWaalsContact OG-N 3.15Å; Y45-G47 PolarHBondContact O-N 3.09Å; Y45-G48 PolarHBondContact O-N 2.84Å; Y45-F50 AromaticContact CD1-CZ 3.91Å; Y45-F50 HydrophobicContact CD1-CZ 3.91Å; Y45-F50 HydrophobicContact CG-CZ 4.27Å; Y45-I73 HydrophobicContact CD1-CD1 3.92Å; Y45-I73 HydrophobicContact CD1-CG1 4.04Å; Y45-I73 HydrophobicContact CE1-CD1 3.73Å; Y45-I73 HydrophobicContact CE1-CG1 3.62Å; Y45-Y74 WeakPolarHBondContact CE1-O 3.34Å; Y45-Y74 PolarHBondContact OH-O 2.12Å; Y45-H75 AromaticContact CZ-CD2 3.97Å; Y45-H75 PolarHBondContact OH-CD2 3.19Å; Y45-H75 VanDerWaalsContact OH-CD2 3.26Å; Y45-L110 HydrophobicContact CD2-CB 3.96Å; Y45-L110 HydrophobicContact CD2-CD2 4.4Å; Y45-L110 HydrophobicContact CE2-CB 4.21Å; Y45-L110 HydrophobicContact CE2-CD2 4.22Å; Y45-L110 VanDerWaalsContact CE2-O 3.27Å; Y45-L110 WeakPolarHBondContact CE2-O 3.24Å; Y45-Y134 PolarHBondContact OH-OH 3.39Å; Y45-A138 HydrophobicContact CE1-CB 3.98Å; Y45-T142 WeakPolarHBondContact O-CG2 3.42Å
46H97.1Very high96.6Very high105 Ų10540.5 Ų40.549%0.48623%0.228SC..THydrogen-bonded Turntrans-48.7136.4-179.2176.162.4000112.6P40 N41 S43 G48P40-H46 WeakPolarHBondContact O-CA 3.36Å; P40-H46 WeakPolarHBondContact O-CB 3.41Å; N41-H46 WeakPolarHBondContact CA-ND1 3.23Å; N41-H46 PolarHBondContact OD1-CE1 3.46Å; N41-H46 PolarHBondContact OD1-ND1 3.33Å; S43-H46 PolarHBondContact O-N 3.3Å; S43-H46 VanDerWaalsContact O-N 3.17Å; H46-G48 PolarHBondContact O-N 2.78Å
47G95.7Very high96.7Very high44 Ų4440.7 Ų40.745%0.45423%0.229SC..THydrogen-bonded Turntrans82.9-16.1-177.800000114.5Y45Y45-G47 PolarHBondContact O-N 3.09Å
48G97.8Very high96.7Very high1 Ų146.9 Ų46.91%0.0127%0.267CS..  trans-78.8153.1175.400000113.8G39 Y45 H46 A146G39-G48 PolarHBondContact N-O 3.37Å; Y45-G48 PolarHBondContact O-N 2.84Å; H46-G48 PolarHBondContact O-N 2.78Å; G48-A146 CarbonylContact C-O 3.5Å; G48-A146 WeakPolarHBondContact CA-O 3.42Å
49V98.1Very high96.6Very high55 Ų5546.2 Ų46.233%0.33326%0.261SS..EExtended strand (participates in β ladder)trans-119.8116.5173.3-177.90000108.5T36 F51 A146T36-V49 HydrophobicContact CG2-CG1 3.26Å; V49-F51 HydrophobicContact CG1-CE2 4.31Å; V49-F51 HydrophobicContact CG1-CZ 4.12Å; V49-A146 PolarHBondContact N-O 3.49Å
50F98.5Very high96.7Very high1 Ų146 Ų460%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-108.7122.5-176.8-58.1-89000110.2T36 I37 Y45 L52 F69 T71 I73 T142 A146T36-F50 CarbonylContact C-O 3.42Å; T36-F50 WeakPolarHBondContact CA-O 3.28Å; I37-F50 PolarHBondContact N-O 3.33Å; I37-F50 PolarHBondContact O-N 2.93Å; Y45-F50 AromaticContact CD1-CZ 3.91Å; Y45-F50 HydrophobicContact CD1-CZ 3.91Å; Y45-F50 HydrophobicContact CG-CZ 4.27Å; F50-L52 WeakPolarHBondContact O-CD1 3.26Å; F50-F69 HydrophobicContact CB-CD1 4.06Å; F50-F69 HydrophobicContact CB-CE1 3.73Å; F50-F69 HydrophobicContact CD1-CD1 4.46Å; F50-F69 HydrophobicContact CD1-CE1 4.3Å; F50-F69 HydrophobicContact CG-CE1 4.17Å; F50-T71 HydrophobicContact CD1-CG2 3.81Å; F50-T71 HydrophobicContact CE1-CG2 4.42Å; F50-I73 HydrophobicContact CD1-CB 4.24Å; F50-I73 HydrophobicContact CD1-CD1 3.97Å; F50-I73 HydrophobicContact CD1-CG1 4.29Å; F50-I73 HydrophobicContact CE1-CB 4.04Å; F50-I73 HydrophobicContact CE1-CD1 3.71Å; F50-I73 HydrophobicContact CE1-CG1 3.78Å; F50-I73 HydrophobicContact CZ-CD1 4.17Å; F50-I73 HydrophobicContact CZ-CG1 4.44Å; F50-T142 HydrophobicContact CZ-CG2 4.14Å; F50-A146 HydrophobicContact CD1-CB 3.98Å; F50-A146 HydrophobicContact CE1-CB 3.56Å; F50-A146 HydrophobicContact CE2-CB 4.25Å; F50-A146 HydrophobicContact CG-CB 4.5Å; F50-A146 HydrophobicContact CZ-CB 3.7Å
51F98.3Very high96.8Very high81 Ų8145.8 Ų45.836%0.35526%0.258SS..EExtended strand (participates in β ladder)trans-89.8141.9174.7-63.3-77.3000110.5Q34 A35 T36 V49 T70 T71Q34-F51 HydrophobicContact CG-CD1 4.46Å; A35-F51 CarbonylContact O-C 3.44Å; A35-F51 WeakPolarHBondContact O-CA 3.39Å; T36-F51 HydrophobicContact CG2-CD1 4.45Å; T36-F51 HydrophobicContact CG2-CE1 4.27Å; V49-F51 HydrophobicContact CG1-CE2 4.31Å; V49-F51 HydrophobicContact CG1-CZ 4.12Å; F51-T70 VanDerWaalsContact C-OG1 3.29Å; F51-T70 WeakPolarHBondContact CB-OG1 3.43Å; F51-T70 PolarHBondContact O-N 2.81Å; F51-T70 PolarHBondContact O-OG1 2.86Å; F51-T70 VanDerWaalsContact O-OG1 3.09Å; F51-T71 WeakPolarHBondContact CD2-OG1 3.35Å; F51-T71 PolarHBondContact N-OG1 3.02Å; F51-T71 PolarHBondContact O-N 3.39Å
52L98.6Very high97.1Very high1 Ų147.1 Ų47.11%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-131.3147.6176.6-56.789.9000109.8Q34 A35 I37 F50 V67 A68 F69 I84 I106Q34-L52 WeakPolarHBondContact CA-O 3.46Å; A35-L52 HydrophobicContact CB-CB 4.29Å; A35-L52 PolarHBondContact N-O 3.09Å; A35-L52 PolarHBondContact O-N 3.32Å; I37-L52 HydrophobicContact CB-CD1 4.2Å; I37-L52 HydrophobicContact CD1-CD1 3.71Å; I37-L52 HydrophobicContact CD1-CD2 4.18Å; I37-L52 HydrophobicContact CG1-CD1 3.74Å; F50-L52 WeakPolarHBondContact O-CD1 3.26Å; L52-V67 HydrophobicContact CB-CG1 4.44Å; L52-V67 HydrophobicContact CD2-CG1 3.88Å; L52-A68 CarbonylContact C-O 3.49Å; L52-A68 WeakPolarHBondContact CA-O 3.48Å; L52-A68 WeakPolarHBondContact CB-O 3.35Å; L52-F69 HydrophobicContact CD1-CE1 4.35Å; L52-F69 HydrophobicContact CD2-CD1 4.45Å; L52-F69 HydrophobicContact CD2-CD2 3.82Å; L52-F69 HydrophobicContact CD2-CE1 4.29Å; L52-F69 HydrophobicContact CD2-CE2 3.62Å; L52-F69 HydrophobicContact CD2-CG 4.22Å; L52-F69 HydrophobicContact CD2-CZ 3.88Å; L52-F69 HydrophobicContact CG-CD1 4.17Å; L52-F69 HydrophobicContact CG-CD2 4.28Å; L52-F69 HydrophobicContact CG-CE1 4.28Å; L52-F69 HydrophobicContact CG-CE2 4.37Å; L52-F69 HydrophobicContact CG-CG 4.18Å; L52-F69 HydrophobicContact CG-CZ 4.37Å; L52-I84 HydrophobicContact CD2-CD1 4.19Å; L52-I106 HydrophobicContact CD2-CD1 4.09Å; L52-I106 HydrophobicContact CD2-CG2 4.39Å
53S98.3Very high97.6Very high25 Ų2544.3 Ų44.318%0.17524%0.238CC..EExtended strand (participates in β ladder)trans-104.4131.8171.7-172.10000109.2H32 H55 V67 A68H32-S53 PolarHBondContact NE2-OG 3.26Å; H32-S53 VanDerWaalsContact NE2-OG 3.1Å; S53-H55 PolarHBondContact OG-CE1 2.83Å; S53-H55 PolarHBondContact OG-ND1 3.44Å; S53-V67 WeakPolarHBondContact O-CA 3.42Å; S53-A68 PolarHBondContact N-O 3.11Å; S53-A68 PolarHBondContact O-N 3.2Å
54V98.5Very high97.7Very high1 Ų145.4 Ų45.41%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-123120.4-177.9178.20000108.4W33 A35 F56 P65 K66 V67 I99W33-V54 HydrophobicContact CB-CB 4.01Å; W33-V54 PolarHBondContact N-O 3Å; W33-V54 PolarHBondContact O-N 3.47Å; A35-V54 HydrophobicContact CB-CG2 4.27Å; V54-F56 HydrophobicContact CG1-CD2 4.44Å; V54-F56 HydrophobicContact CG1-CE2 4.06Å; V54-F56 HydrophobicContact CG1-CZ 4.29Å; V54-P65 HydrophobicContact CG1-CB 4.07Å; V54-K66 CarbonylContact C-O 3.32Å; V54-K66 WeakPolarHBondContact CA-O 3.37Å; V54-V67 HydrophobicContact CG1-CG2 4.29Å; V54-V67 HydrophobicContact CG2-CG1 4.13Å; V54-V67 HydrophobicContact CG2-CG2 4.15Å; V54-I99 HydrophobicContact CG1-CD1 4.03Å
55H98.4Very high97.7Very high84 Ų8444.8 Ų44.839%0.38924%0.24SC..EExtended strand (participates in β ladder)trans-117.3118175.8-70.475.6000110F31 H32 S53 P65 K66F31-H55 WeakPolarHBondContact O-CA 3.44Å; H32-H55 AromaticContact CD2-CD2 3.93Å; H32-H55 AromaticContact CD2-CE1 3.31Å; H32-H55 PolarHBondContact CD2-CE1 2.86Å; H32-H55 AromaticContact CD2-ND1 3.77Å; H32-H55 AromaticContact CD2-NE2 3.44Å; H32-H55 PolarHBondContact CD2-NE2 2.77Å; H32-H55 AromaticContact CG-NE2 3.74Å; H32-H55 AromaticContact NE2-CE1 3.41Å; H32-H55 PolarHBondContact NE2-CE1 2.68Å; H32-H55 AromaticContact NE2-NE2 3.76Å; S53-H55 PolarHBondContact OG-CE1 2.83Å; S53-H55 PolarHBondContact OG-ND1 3.44Å; H55-P65 CarbonylContact O-C 3.24Å; H55-P65 WeakPolarHBondContact O-CA 3.13Å; H55-K66 HydrophobicContact CB-CB 4.34Å; H55-K66 PolarHBondContact N-O 3.06Å; H55-K66 PolarHBondContact O-N 3.05Å
56F98.4Very high97.7Very high13 Ų1352.8 Ų52.86%0.05728%0.275CS..  trans-80.9138.3175.5-62.7-93.1000110.4I6 F31 W33 V54 Y60 P65 I99I6-F56 HydrophobicContact CD1-CB 3.71Å; I6-F56 HydrophobicContact CD1-CD1 4.03Å; I6-F56 HydrophobicContact CD1-CD2 4.1Å; I6-F56 HydrophobicContact CD1-CG 3.7Å; I6-F56 HydrophobicContact CG1-CD1 3.9Å; I6-F56 HydrophobicContact CG1-CD2 4.46Å; I6-F56 HydrophobicContact CG1-CE1 4.07Å; I6-F56 HydrophobicContact CG1-CG 4.06Å; I6-F56 HydrophobicContact CG1-CZ 4.41Å; I6-F56 HydrophobicContact CG2-CE2 4.22Å; I6-F56 HydrophobicContact CG2-CZ 4.22Å; F31-F56 HydrophobicContact CB-CB 4.45Å; F31-F56 HydrophobicContact CD1-CB 3.84Å; F31-F56 WeakPolarHBondContact O-CD2 3.25Å; F31-F56 PolarHBondContact O-N 3.14Å; W33-F56 HydrophobicContact CB-CE2 4.29Å; W33-F56 AromaticContact CD1-CE2 3.68Å; W33-F56 AromaticContact CD2-CE2 3.6Å; W33-F56 HydrophobicContact CD2-CE2 3.6Å; W33-F56 AromaticContact CD2-CZ 3.96Å; W33-F56 HydrophobicContact CD2-CZ 3.96Å; W33-F56 AromaticContact CE2-CE2 3.65Å; W33-F56 AromaticContact CE2-CZ 3.99Å; W33-F56 HydrophobicContact CE3-CE2 4.16Å; W33-F56 HydrophobicContact CE3-CZ 4.1Å; W33-F56 AromaticContact CG-CE2 3.65Å; W33-F56 HydrophobicContact CG-CE2 3.65Å; W33-F56 HydrophobicContact CG-CZ 4.45Å; W33-F56 HydrophobicContact CH2-CZ 4.31Å; W33-F56 HydrophobicContact CZ2-CE2 4.27Å; W33-F56 HydrophobicContact CZ2-CZ 4.19Å; W33-F56 HydrophobicContact CZ3-CZ 4.26Å; W33-F56 AromaticContact NE1-CE2 3.68Å; V54-F56 HydrophobicContact CG1-CD2 4.44Å; V54-F56 HydrophobicContact CG1-CE2 4.06Å; V54-F56 HydrophobicContact CG1-CZ 4.29Å; F56-Y60 AromaticContact CD1-CD1 3.89Å; F56-Y60 HydrophobicContact CD1-CD1 3.89Å; F56-Y60 AromaticContact CD1-CD2 3.81Å; F56-Y60 HydrophobicContact CD1-CD2 3.81Å; F56-Y60 AromaticContact CD1-CE1 3.89Å; F56-Y60 HydrophobicContact CD1-CE1 3.89Å; F56-Y60 AromaticContact CD1-CE2 3.85Å; F56-Y60 HydrophobicContact CD1-CE2 3.85Å; F56-Y60 AromaticContact CD1-CG 3.85Å; F56-Y60 HydrophobicContact CD1-CG 3.85Å; F56-Y60 AromaticContact CD1-CZ 3.88Å; F56-Y60 HydrophobicContact CE1-CD1 4.33Å; F56-Y60 AromaticContact CE1-CE1 3.89Å; F56-Y60 HydrophobicContact CE1-CE1 3.89Å; F56-Y60 HydrophobicContact CE1-CE2 4.17Å; F56-Y60 AromaticContact CE1-CZ 3.81Å; F56-P65 HydrophobicContact CD1-CB 4.25Å; F56-I99 HydrophobicContact CD1-CD1 4.45Å; F56-I99 HydrophobicContact CE1-CD1 3.55Å; F56-I99 HydrophobicContact CE1-CG1 3.41Å; F56-I99 VanDerWaalsContact CE1-CG1 3.41Å; F56-I99 HydrophobicContact CZ-CD1 3.82Å; F56-I99 HydrophobicContact CZ-CG1 3.38Å
57P97.8Very high97.7Very high31 Ų3148.5 Ų48.520%0.20126%0.256CS..  trans-75.7159.8171.434.3-37000110.8D59 Y60 K63 P64P57-D59 WeakPolarHBondContact CB-OD1 3.39Å; P57-D59 PolarHBondContact O-N 3.49Å; P57-Y60 HydrophobicContact CG-CD2 4.47Å; P57-Y60 VanDerWaalsContact O-CB 3.31Å; P57-Y60 WeakPolarHBondContact O-CB 3.44Å; P57-Y60 PolarHBondContact O-N 2.82Å; P57-Y60 VanDerWaalsContact O-N 3.11Å; P57-K63 HydrophobicContact CB-CB 4.27Å; P57-K63 HydrophobicContact CG-CB 3.72Å; P57-P64 WeakPolarHBondContact CD-O 3.43Å; P57-P64 WeakPolarHBondContact CG-O 3.43Å
58T96.6Very high97.9Very high130 Ų13047.9 Ų47.980%0.79825%0.247SC*.THydrogen-bonded Turntrans-64.5-23.7-179.750.20000113.4A2A2-T58 WeakPolarHBondContact CB-O 3.44Å
59D96.3Very high97.9Very high50 Ų5048.2 Ų48.227%0.26725%0.248SC..THydrogen-bonded Turntrans-99.617.617760.1-4.4000113.6P57 F62 K63P57-D59 WeakPolarHBondContact CB-OD1 3.39Å; P57-D59 PolarHBondContact O-N 3.49Å; D59-F62 WeakPolarHBondContact O-CB 3.2Å; D59-F62 WeakPolarHBondContact O-CD2 3.34Å; D59-F62 PolarHBondContact O-N 2.88Å; D59-K63 WeakPolarHBondContact OD1-CB 3.44Å; D59-K63 WeakPolarHBondContact OD1-CD 3.4Å; D59-K63 WeakPolarHBondContact OD2-CD 3.39Å; D59-K63 WeakPolarHBondContact OD2-CE 3.27Å; D59-K63 WeakPolarHBondContact OD2-CG 3.5Å; D59-K63 IonicContact OD2-NZ 2.69Å; D59-K63 PolarHBondContact OD2-NZ 3.1Å
60Y97.9Very high97.9Very high2 Ų249.8 Ų49.81%0.00826%0.258CS..THydrogen-bonded Turntrans-54.4136.4171.7-169.4-104.3000111.2A2 R5 I6 E9 F56 P57 K63 W93A2-Y60 WeakPolarHBondContact CA-O 3.42Å; A2-Y60 VanDerWaalsContact CB-O 3.23Å; A2-Y60 WeakPolarHBondContact CB-O 3.49Å; R5-Y60 HydrophobicContact CB-CD1 4.48Å; R5-Y60 HydrophobicContact CG-CD1 3.9Å; R5-Y60 HydrophobicContact CG-CE1 3.67Å; I6-Y60 HydrophobicContact CD1-CD1 4.44Å; I6-Y60 HydrophobicContact CG1-CD1 3.78Å; I6-Y60 HydrophobicContact CG1-CE1 4.18Å; E9-Y60 PolarHBondContact OE1-OH 2.87Å; E9-Y60 PolarHBondContact OE2-OH 3.35Å; F56-Y60 AromaticContact CD1-CD1 3.89Å; F56-Y60 HydrophobicContact CD1-CD1 3.89Å; F56-Y60 AromaticContact CD1-CD2 3.81Å; F56-Y60 HydrophobicContact CD1-CD2 3.81Å; F56-Y60 AromaticContact CD1-CE1 3.89Å; F56-Y60 HydrophobicContact CD1-CE1 3.89Å; F56-Y60 AromaticContact CD1-CE2 3.85Å; F56-Y60 HydrophobicContact CD1-CE2 3.85Å; F56-Y60 AromaticContact CD1-CG 3.85Å; F56-Y60 HydrophobicContact CD1-CG 3.85Å; F56-Y60 AromaticContact CD1-CZ 3.88Å; F56-Y60 HydrophobicContact CE1-CD1 4.33Å; F56-Y60 AromaticContact CE1-CE1 3.89Å; F56-Y60 HydrophobicContact CE1-CE1 3.89Å; F56-Y60 HydrophobicContact CE1-CE2 4.17Å; F56-Y60 AromaticContact CE1-CZ 3.81Å; P57-Y60 HydrophobicContact CG-CD2 4.47Å; P57-Y60 VanDerWaalsContact O-CB 3.31Å; P57-Y60 WeakPolarHBondContact O-CB 3.44Å; P57-Y60 PolarHBondContact O-N 2.82Å; P57-Y60 VanDerWaalsContact O-N 3.11Å; Y60-K63 WeakPolarHBondContact CD2-O 3.46Å; Y60-W93 HydrophobicContact CD2-CZ2 4.25Å; Y60-W93 AromaticContact CE2-CH2 3.67Å; Y60-W93 HydrophobicContact CE2-CH2 3.67Å; Y60-W93 AromaticContact CE2-CZ2 3.5Å; Y60-W93 HydrophobicContact CE2-CZ2 3.5Å
61P97.3Very high97.9Very high16 Ų1650.5 Ų50.510%0.10426%0.262CS..THydrogen-bonded Turncis-95.816.97.839.1-36.6000115.1R5 K63 W93 P95R5-P61 HydrophobicContact CG-CB 4.35Å; R5-P61 HydrophobicContact CG-CG 4.19Å; P61-K63 VanDerWaalsContact C-N 3.3Å; P61-K63 PolarHBondContact O-N 3.07Å; P61-W93 HydrophobicContact CB-CZ2 4.4Å; P61-W93 PolarHBondContact O-NE1 3.32Å; P61-P95 HydrophobicContact CB-CB 4.29Å; P61-P95 HydrophobicContact CG-CB 4.1Å; P61-P95 WeakPolarHBondContact O-CA 3.14Å
62F97Very high97.9Very high149 Ų14952.2 Ų52.265%0.65427%0.27SS*.SBendtrans-74.2-22.9-179.1-59.8-70.9000113.1D59 P95D59-F62 WeakPolarHBondContact O-CB 3.2Å; D59-F62 WeakPolarHBondContact O-CD2 3.34Å; D59-F62 PolarHBondContact O-N 2.88Å; F62-P95 HydrophobicContact CD1-CG 4.22Å
63K96.9Very high97.9Very high114 Ų11452.8 Ų52.850%0.49627%0.272SS..SBendtrans-115.5150.3166.9-70.4-171.9-175.5131.60111.3P57 D59 Y60 P61P57-K63 HydrophobicContact CB-CB 4.27Å; P57-K63 HydrophobicContact CG-CB 3.72Å; D59-K63 WeakPolarHBondContact OD1-CB 3.44Å; D59-K63 WeakPolarHBondContact OD1-CD 3.4Å; D59-K63 WeakPolarHBondContact OD2-CD 3.39Å; D59-K63 WeakPolarHBondContact OD2-CE 3.27Å; D59-K63 WeakPolarHBondContact OD2-CG 3.5Å; D59-K63 IonicContact OD2-NZ 2.69Å; D59-K63 PolarHBondContact OD2-NZ 3.1Å; Y60-K63 WeakPolarHBondContact CD2-O 3.46Å; P61-K63 VanDerWaalsContact C-N 3.3Å; P61-K63 PolarHBondContact O-N 3.07Å
64P97.6Very high97.9Very high35 Ų3552.6 Ų52.623%0.22727%0.268CS..PPolyproline II helixtrans-66.8153.417726.2-32.7000111.8P57 L89 W93P57-P64 WeakPolarHBondContact CD-O 3.43Å; P57-P64 WeakPolarHBondContact CG-O 3.43Å; P64-L89 WeakPolarHBondContact CG-O 3.32Å; P64-W93 HydrophobicContact CB-CB 3.96Å; P64-W93 HydrophobicContact CB-CD2 3.55Å; P64-W93 HydrophobicContact CB-CE3 3.79Å; P64-W93 HydrophobicContact CB-CG 3.61Å; P64-W93 HydrophobicContact CG-CB 4.13Å; P64-W93 HydrophobicContact CG-CD2 4.49Å; P64-W93 HydrophobicContact CG-CG 4.06Å
65P97.9Very high97.9Very high3 Ų352.5 Ų52.52%0.01927%0.268CS..PPolyproline II helixtrans-68.4149.6166.734.1-35.1000109.9V54 H55 F56 V67 L89 W93 I99V54-P65 HydrophobicContact CG1-CB 4.07Å; H55-P65 CarbonylContact O-C 3.24Å; H55-P65 WeakPolarHBondContact O-CA 3.13Å; F56-P65 HydrophobicContact CD1-CB 4.25Å; P65-V67 HydrophobicContact CB-CG2 4.39Å; P65-V67 HydrophobicContact CG-CG2 4.16Å; P65-L89 HydrophobicContact CG-CD2 4.38Å; P65-W93 HydrophobicContact CG-CZ3 4.49Å; P65-I99 HydrophobicContact CB-CD1 4Å; P65-I99 HydrophobicContact CG-CD1 3.58Å
66K98.1Very high97.9Very high167 Ų16748.5 Ų48.573%0.72625%0.249SC*.EExtended strand (participates in β ladder)trans-83.8119.1167.2-66-178.7-178.8179.10108.4V54 H55V54-K66 CarbonylContact C-O 3.32Å; V54-K66 WeakPolarHBondContact CA-O 3.37Å; H55-K66 HydrophobicContact CB-CB 4.34Å; H55-K66 PolarHBondContact N-O 3.06Å; H55-K66 PolarHBondContact O-N 3.05Å
67V98.3Very high97.9Very high15 Ų1548 Ų489%0.09125%0.247CC..EExtended strand (participates in β ladder)trans-119.3131.2178.7-173.10000109.2L52 S53 V54 P65 I84 L89 V102 I106L52-V67 HydrophobicContact CB-CG1 4.44Å; L52-V67 HydrophobicContact CD2-CG1 3.88Å; S53-V67 WeakPolarHBondContact O-CA 3.42Å; V54-V67 HydrophobicContact CG1-CG2 4.29Å; V54-V67 HydrophobicContact CG2-CG1 4.13Å; V54-V67 HydrophobicContact CG2-CG2 4.15Å; P65-V67 HydrophobicContact CB-CG2 4.39Å; P65-V67 HydrophobicContact CG-CG2 4.16Å; V67-I84 HydrophobicContact CB-CD1 4.4Å; V67-I84 HydrophobicContact CG1-CD1 3.96Å; V67-L89 HydrophobicContact CB-CD1 4.13Å; V67-L89 HydrophobicContact CB-CD2 4.49Å; V67-L89 HydrophobicContact CG2-CD1 4.48Å; V67-L89 HydrophobicContact CG2-CD2 3.96Å; V67-V102 HydrophobicContact CG2-CG1 4.16Å; V67-I106 HydrophobicContact CG1-CD1 3.87Å
68A98.3Very high97.9Very high31 Ų3146.6 Ų46.626%0.25624%0.238SC..EExtended strand (participates in β ladder)trans-143.5144.2176.900000111L52 S53 G82L52-A68 CarbonylContact C-O 3.49Å; L52-A68 WeakPolarHBondContact CA-O 3.48Å; L52-A68 WeakPolarHBondContact CB-O 3.35Å; S53-A68 PolarHBondContact N-O 3.11Å; S53-A68 PolarHBondContact O-N 3.2Å; A68-G82 CarbonylContact C-O 3.56Å; A68-G82 VanDerWaalsContact CA-O 3.24Å; A68-G82 WeakPolarHBondContact CA-O 3.42Å
69F98.6Very high97.9Very high8 Ų842.5 Ų42.54%0.03521%0.211CC..EExtended strand (participates in β ladder)trans-69.1132.9169.9-80.7-104.3000110.3F50 L52 I73 I78 G82 I84 I106 L110F50-F69 HydrophobicContact CB-CD1 4.06Å; F50-F69 HydrophobicContact CB-CE1 3.73Å; F50-F69 HydrophobicContact CD1-CD1 4.46Å; F50-F69 HydrophobicContact CD1-CE1 4.3Å; F50-F69 HydrophobicContact CG-CE1 4.17Å; L52-F69 HydrophobicContact CD1-CE1 4.35Å; L52-F69 HydrophobicContact CD2-CD1 4.45Å; L52-F69 HydrophobicContact CD2-CD2 3.82Å; L52-F69 HydrophobicContact CD2-CE1 4.29Å; L52-F69 HydrophobicContact CD2-CE2 3.62Å; L52-F69 HydrophobicContact CD2-CG 4.22Å; L52-F69 HydrophobicContact CD2-CZ 3.88Å; L52-F69 HydrophobicContact CG-CD1 4.17Å; L52-F69 HydrophobicContact CG-CD2 4.28Å; L52-F69 HydrophobicContact CG-CE1 4.28Å; L52-F69 HydrophobicContact CG-CE2 4.37Å; L52-F69 HydrophobicContact CG-CG 4.18Å; L52-F69 HydrophobicContact CG-CZ 4.37Å; F69-I73 HydrophobicContact CD1-CG2 4.19Å; F69-I73 HydrophobicContact CE1-CD1 4.19Å; F69-I73 HydrophobicContact CG-CG2 4.39Å; F69-I78 HydrophobicContact CB-CG2 4.38Å; F69-I78 HydrophobicContact CD2-CD1 3.86Å; F69-I78 HydrophobicContact CD2-CG1 4.35Å; F69-I78 HydrophobicContact CD2-CG2 3.9Å; F69-I78 HydrophobicContact CE1-CD1 4.38Å; F69-I78 HydrophobicContact CE2-CD1 3.37Å; F69-I78 HydrophobicContact CE2-CG1 4.16Å; F69-I78 HydrophobicContact CG-CG2 4.26Å; F69-I78 HydrophobicContact CZ-CD1 3.67Å; F69-G82 PolarHBondContact N-O 2.85Å; F69-G82 WeakPolarHBondContact O-CA 3.43Å; F69-I84 HydrophobicContact CD2-CD1 3.7Å; F69-I84 HydrophobicContact CD2-CG1 3.77Å; F69-I84 HydrophobicContact CE2-CD1 3.61Å; F69-I84 HydrophobicContact CE2-CG1 3.94Å; F69-I106 HydrophobicContact CE2-CG2 3.82Å; F69-I106 HydrophobicContact CZ-CG2 3.73Å; F69-L110 HydrophobicContact CZ-CD2 4.39Å
70T98.2Very high97.7Very high88 Ų8845.1 Ų45.154%0.5423%0.233SC..SBendtrans-96.7-28.1166.955.30000110.9F51F51-T70 VanDerWaalsContact C-OG1 3.29Å; F51-T70 WeakPolarHBondContact CB-OG1 3.43Å; F51-T70 PolarHBondContact O-N 2.81Å; F51-T70 PolarHBondContact O-OG1 2.86Å; F51-T70 VanDerWaalsContact O-OG1 3.09Å
71T98.3Very high97.6Very high16 Ų1651.1 Ų51.110%0.09827%0.266CS..SBendtrans-77.7132.1168.6-590000110.7F50 F51 Y145 A146F50-T71 HydrophobicContact CD1-CG2 3.81Å; F50-T71 HydrophobicContact CE1-CG2 4.42Å; F51-T71 WeakPolarHBondContact CD2-OG1 3.35Å; F51-T71 PolarHBondContact N-OG1 3.02Å; F51-T71 PolarHBondContact O-N 3.39Å; T71-Y145 VanDerWaalsContact CG2-O 3.28Å; T71-Y145 WeakPolarHBondContact CG2-O 3.14Å; T71-A146 HydrophobicContact CG2-CB 3.95Å
72K98.1Very high97.6Very high118 Ų11850.6 Ų50.651%0.51326%0.263SS..  trans-65.1138.2174.6-68.5-177.5-179.9179.40110.8W141 Y145K72-W141 HydrophobicContact CB-CE3 4.3Å; K72-W141 HydrophobicContact CB-CZ3 4.07Å; K72-Y145 HydrophobicContact CB-CD1 4.32Å; K72-Y145 HydrophobicContact CB-CD2 3.94Å; K72-Y145 HydrophobicContact CB-CE2 4.45Å; K72-Y145 HydrophobicContact CB-CG 3.87Å; K72-Y145 HydrophobicContact CD-CD1 4.15Å; K72-Y145 HydrophobicContact CD-CE1 3.99Å; K72-Y145 HydrophobicContact CD-CG 4.49Å
73I98.5Very high97.6Very high12 Ų1246.1 Ų46.16%0.06225%0.25CC..  trans-142.4145-179.9-170171.6000110.7Y45 F50 F69 H75 I78 L110 W141Y45-I73 HydrophobicContact CD1-CD1 3.92Å; Y45-I73 HydrophobicContact CD1-CG1 4.04Å; Y45-I73 HydrophobicContact CE1-CD1 3.73Å; Y45-I73 HydrophobicContact CE1-CG1 3.62Å; F50-I73 HydrophobicContact CD1-CB 4.24Å; F50-I73 HydrophobicContact CD1-CD1 3.97Å; F50-I73 HydrophobicContact CD1-CG1 4.29Å; F50-I73 HydrophobicContact CE1-CB 4.04Å; F50-I73 HydrophobicContact CE1-CD1 3.71Å; F50-I73 HydrophobicContact CE1-CG1 3.78Å; F50-I73 HydrophobicContact CZ-CD1 4.17Å; F50-I73 HydrophobicContact CZ-CG1 4.44Å; F69-I73 HydrophobicContact CD1-CG2 4.19Å; F69-I73 HydrophobicContact CE1-CD1 4.19Å; F69-I73 HydrophobicContact CG-CG2 4.39Å; I73-H75 HydrophobicContact CD1-CB 4.49Å; I73-H75 HydrophobicContact CG1-CB 4.31Å; I73-H75 HydrophobicContact CG2-CB 4.46Å; I73-I78 HydrophobicContact CD1-CD1 4.26Å; I73-I78 HydrophobicContact CG2-CB 3.96Å; I73-I78 HydrophobicContact CG2-CD1 3.83Å; I73-I78 HydrophobicContact CG2-CG2 3.67Å; I73-L110 HydrophobicContact CD1-CD2 3.48Å; I73-L110 VanDerWaalsContact CD1-CD2 3.48Å; I73-W141 VanDerWaalsContact C-CE3 3.47Å
74Y98.4Very high97.6Very high21 Ų2141.1 Ų41.18%0.08223%0.229CC..  trans-95100173.2-170.6-96000109.2Y45 I123 I126 Y134 L137 A138 W141Y45-Y74 WeakPolarHBondContact CE1-O 3.34Å; Y45-Y74 PolarHBondContact OH-O 2.12Å; Y74-I123 HydrophobicContact CD1-CG2 4.1Å; Y74-I123 HydrophobicContact CD2-CD1 3.75Å; Y74-I123 HydrophobicContact CD2-CG1 4.29Å; Y74-I123 HydrophobicContact CE1-CD1 4.48Å; Y74-I123 HydrophobicContact CE1-CG1 4.28Å; Y74-I123 HydrophobicContact CE1-CG2 3.67Å; Y74-I123 HydrophobicContact CE2-CD1 3.66Å; Y74-I123 HydrophobicContact CE2-CG1 3.69Å; Y74-I123 HydrophobicContact CG-CD1 4.2Å; Y74-I126 WeakPolarHBondContact OH-CD1 3.48Å; Y74-Y134 HydrophobicContact CD1-CD2 4.23Å; Y74-Y134 HydrophobicContact CD1-CE2 4.13Å; Y74-Y134 AromaticContact CE1-CD2 3.81Å; Y74-Y134 HydrophobicContact CE1-CD2 3.81Å; Y74-Y134 HydrophobicContact CE1-CE2 4.11Å; Y74-L137 HydrophobicContact CD1-CB 4.07Å; Y74-L137 HydrophobicContact CE1-CB 3.8Å; Y74-L137 HydrophobicContact CE1-CD1 4.21Å; Y74-L137 HydrophobicContact CE2-CB 4.46Å; Y74-L137 HydrophobicContact CE2-CD1 4.44Å; Y74-L137 HydrophobicContact CG-CB 4.5Å; Y74-L137 WeakPolarHBondContact OH-CD1 3.47Å; Y74-A138 HydrophobicContact CD1-CB 4.15Å; Y74-W141 HydrophobicContact CD2-CD2 4.26Å; Y74-W141 AromaticContact CD2-CE2 3.92Å; Y74-W141 HydrophobicContact CD2-CZ2 4.24Å; Y74-W141 AromaticContact CD2-NE1 3.98Å; Y74-W141 HydrophobicContact CG-CD2 4.47Å; Y74-W141 HydrophobicContact CG-CG 4.43Å
75H98.6Very high97.4Very high0 Ų039.8 Ų39.80%022%0.22CC..BIsolated β-bridgetrans-153.1141-174-171.7-84.1000110.9Y45 I73 N77 I78 L109Y45-H75 AromaticContact CZ-CD2 3.97Å; Y45-H75 PolarHBondContact OH-CD2 3.19Å; Y45-H75 VanDerWaalsContact OH-CD2 3.26Å; I73-H75 HydrophobicContact CD1-CB 4.49Å; I73-H75 HydrophobicContact CG1-CB 4.31Å; I73-H75 HydrophobicContact CG2-CB 4.46Å; H75-N77 VanDerWaalsContact C-N 3.34Å; H75-N77 PolarHBondContact CE1-OD1 3.49Å; H75-N77 PolarHBondContact ND1-N 2.98Å; H75-N77 PolarHBondContact O-N 3.39Å; H75-I78 HydrophobicContact CB-CB 4.12Å; H75-I78 HydrophobicContact CB-CD1 3.95Å; H75-I78 HydrophobicContact CB-CG1 4.21Å; H75-I78 PolarHBondContact O-N 3.48Å; H75-L109 PolarHBondContact NE2-O 3.33Å; H75-L109 VanDerWaalsContact NE2-O 3.07Å
76P98.1Very high97.2Very high0 Ų040.7 Ų40.70%023%0.225CC..THydrogen-bonded Turntrans-69.1-28.7-175.727.2-35.2000113.9P113 L119 V120 I123 A124P76-P113 HydrophobicContact CG-CB 3.5Å; P76-P113 HydrophobicContact CG-CG 4.47Å; P76-L119 PolarHBondContact O-N 3.3Å; P76-V120 PolarHBondContact O-N 2.89Å; P76-I123 HydrophobicContact CB-CB 4.38Å; P76-I123 HydrophobicContact CB-CG2 4.1Å; P76-A124 HydrophobicContact CB-CB 3.78Å
77N98.4Very high96.9Very high1 Ų135.8 Ų35.81%0.00521%0.207CC..THydrogen-bonded Turntrans-97.78.4179.2-48.798.1000114.2H75 C85 L109 N114 D117 L119H75-N77 VanDerWaalsContact C-N 3.34Å; H75-N77 PolarHBondContact CE1-OD1 3.49Å; H75-N77 PolarHBondContact ND1-N 2.98Å; H75-N77 PolarHBondContact O-N 3.39Å; N77-C85 PolarHBondContact O-N 3.16Å; N77-L109 HydrophobicContact CB-CD1 4.37Å; N77-L109 HydrophobicContact CB-CD2 4.07Å; N77-N114 PolarHBondContact ND2-O 3.17Å; N77-N114 PolarHBondContact OD1-N 2.98Å; N77-N114 PolarHBondContact OD1-O 2.92Å; N77-D117 PolarHBondContact ND2-O 3.2Å; N77-L119 WeakPolarHBondContact O-CD1 3.46Å
78I98.4Very high96.7Very high2 Ų236.2 Ų36.21%0.0121%0.208CC..BIsolated β-bridgetrans-130.9121.3178.7-53163.7000108.4F69 I73 H75 S83 I84 L110F69-I78 HydrophobicContact CB-CG2 4.38Å; F69-I78 HydrophobicContact CD2-CD1 3.86Å; F69-I78 HydrophobicContact CD2-CG1 4.35Å; F69-I78 HydrophobicContact CD2-CG2 3.9Å; F69-I78 HydrophobicContact CE1-CD1 4.38Å; F69-I78 HydrophobicContact CE2-CD1 3.37Å; F69-I78 HydrophobicContact CE2-CG1 4.16Å; F69-I78 HydrophobicContact CG-CG2 4.26Å; F69-I78 HydrophobicContact CZ-CD1 3.67Å; I73-I78 HydrophobicContact CD1-CD1 4.26Å; I73-I78 HydrophobicContact CG2-CB 3.96Å; I73-I78 HydrophobicContact CG2-CD1 3.83Å; I73-I78 HydrophobicContact CG2-CG2 3.67Å; H75-I78 HydrophobicContact CB-CB 4.12Å; H75-I78 HydrophobicContact CB-CD1 3.95Å; H75-I78 HydrophobicContact CB-CG1 4.21Å; H75-I78 PolarHBondContact O-N 3.48Å; I78-S83 WeakPolarHBondContact CA-O 3.38Å; I78-I84 HydrophobicContact CG1-CG1 4.44Å; I78-I84 HydrophobicContact CG1-CG2 4.5Å; I78-L110 HydrophobicContact CD1-CD2 4.06Å
79N96Very high96.5Very high44 Ų4435.7 Ų35.724%0.23520%0.201CC..  trans-87.7176.4-178.673.911.1000112.6N81 G82 S83 L119 V120N79-N81 PolarHBondContact O-N 3.14Å; N79-N81 VanDerWaalsContact O-N 3.15Å; N79-N81 WeakPolarHBondContact OD1-CA 3.28Å; N79-N81 WeakPolarHBondContact OD1-CB 3.46Å; N79-N81 PolarHBondContact OD1-N 3.42Å; N79-G82 PolarHBondContact O-N 3.32Å; N79-G82 PolarHBondContact OD1-N 3.1Å; N79-S83 PolarHBondContact N-O 3.15Å; N79-S83 VanDerWaalsContact N-O 3.14Å; N79-S83 WeakPolarHBondContact OD1-CB 3.34Å; N79-S83 PolarHBondContact OD1-N 3.13Å; N79-L119 HydrophobicContact CB-CB 4.38Å; N79-L119 HydrophobicContact CB-CD1 4.48Å; N79-V120 HydrophobicContact CB-CG2 4.12Å
80S93.7Very high96.2Very high105 Ų10541.8 Ų41.873%0.73422%0.224SC*.THydrogen-bonded Turntrans-62.3-20.4-179.658.40000114.8G82S80-G82 VanDerWaalsContact C-N 3.28Å
81N95.1Very high95.9Very high129 Ų12942.9 Ų42.969%0.6924%0.235SC*.THydrogen-bonded Turntrans-890.7176.4-60.8-13.2000111.8N79 S83N79-N81 PolarHBondContact O-N 3.14Å; N79-N81 VanDerWaalsContact O-N 3.15Å; N79-N81 WeakPolarHBondContact OD1-CA 3.28Å; N79-N81 WeakPolarHBondContact OD1-CB 3.46Å; N79-N81 PolarHBondContact OD1-N 3.42Å; N81-S83 VanDerWaalsContact C-N 3.31Å; N81-S83 PolarHBondContact O-N 2.85Å
82G96.7Very high95.8Very high5 Ų548.1 Ų48.15%0.05226%0.258CS..  trans81.23.8-179.600000114.9A68 F69 N79 S80A68-G82 CarbonylContact C-O 3.56Å; A68-G82 VanDerWaalsContact CA-O 3.24Å; A68-G82 WeakPolarHBondContact CA-O 3.42Å; F69-G82 PolarHBondContact N-O 2.85Å; F69-G82 WeakPolarHBondContact O-CA 3.43Å; N79-G82 PolarHBondContact O-N 3.32Å; N79-G82 PolarHBondContact OD1-N 3.1Å; S80-G82 VanDerWaalsContact C-N 3.28Å
83S97.2Very high95.8Very high54 Ų5444 Ų4438%0.37824%0.239SC..BIsolated β-bridgetrans-65.4138.7176.1-58.40000110.4I78 N79 N81 L119I78-S83 WeakPolarHBondContact CA-O 3.38Å; N79-S83 PolarHBondContact N-O 3.15Å; N79-S83 VanDerWaalsContact N-O 3.14Å; N79-S83 WeakPolarHBondContact OD1-CB 3.34Å; N79-S83 PolarHBondContact OD1-N 3.13Å; N81-S83 VanDerWaalsContact C-N 3.31Å; N81-S83 PolarHBondContact O-N 2.85Å; S83-L119 WeakPolarHBondContact O-CD1 3.45Å
84I97.5Very high95.7Very high9 Ų946 Ų465%0.04625%0.254CS..BIsolated β-bridgetrans-106.8134.3-178-50171.6000108.8L52 V67 F69 I78 L86 L89 R90 I106 L109L52-I84 HydrophobicContact CD2-CD1 4.19Å; V67-I84 HydrophobicContact CB-CD1 4.4Å; V67-I84 HydrophobicContact CG1-CD1 3.96Å; F69-I84 HydrophobicContact CD2-CD1 3.7Å; F69-I84 HydrophobicContact CD2-CG1 3.77Å; F69-I84 HydrophobicContact CE2-CD1 3.61Å; F69-I84 HydrophobicContact CE2-CG1 3.94Å; I78-I84 HydrophobicContact CG1-CG1 4.44Å; I78-I84 HydrophobicContact CG1-CG2 4.5Å; I84-L86 HydrophobicContact CG2-CB 3.91Å; I84-L89 HydrophobicContact CB-CD1 4.38Å; I84-R90 PolarHBondContact O-NH2 3.12Å; I84-I106 HydrophobicContact CD1-CD1 3.73Å; I84-I106 HydrophobicContact CD1-CG1 4.22Å; I84-L109 HydrophobicContact CG2-CD2 4.02Å
85C94Very high95.7Very high8 Ų847.4 Ų47.45%0.05427%0.266CS..  trans-95.2101.2161.9-162.30000108.8N77 D117 L119N77-C85 PolarHBondContact O-N 3.16Å; C85-D117 PolarHBondContact SG-OD2 3Å; C85-L119 HydrophobicContact CB-CD1 3.89Å; C85-L119 HydrophobicContact CB-CD2 3.8Å; C85-L119 HydrophobicContact CB-CG 3.5Å
86L93.4Very high95.6Very high21 Ų2150.6 Ų50.611%0.1129%0.293CS..  trans-142.4124.2175-175.165.4000106.4I84 I88 L89 I106I84-L86 HydrophobicContact CG2-CB 3.91Å; L86-I88 VanDerWaalsContact C-N 3.31Å; L86-I88 HydrophobicContact CD1-CG1 4.46Å; L86-I88 HydrophobicContact CD2-CD1 3.92Å; L86-I88 HydrophobicContact CD2-CG1 3.6Å; L86-I88 HydrophobicContact CG-CD1 4.46Å; L86-I88 HydrophobicContact CG-CG1 3.65Å; L86-I88 PolarHBondContact O-N 3.46Å; L86-L89 HydrophobicContact CB-CD1 4.23Å; L86-L89 HydrophobicContact CB-CG 4.43Å; L86-L89 HydrophobicContact CD2-CD1 4.43Å; L86-L89 HydrophobicContact CD2-CG 4.44Å; L86-L89 WeakPolarHBondContact O-CB 3.37Å; L86-L89 PolarHBondContact O-N 3.31Å; L86-I106 HydrophobicContact CD2-CG1 3.95Å
87D91.8Very high95.5Very high65 Ų6552 Ų5235%0.34830%0.3SS..G310 helixtrans-62.8-34.7-171.761-13.9000113.4L89 R90 S91 Q92D87-L89 PolarHBondContact O-N 2.9Å; D87-R90 CarbonylContact O-C 3.6Å; D87-R90 VanDerWaalsContact O-C 3.32Å; D87-R90 WeakPolarHBondContact O-CA 3.48Å; D87-R90 PolarHBondContact O-N 3.33Å; D87-S91 PolarHBondContact O-N 2.99Å; D87-Q92 HydrophobicContact CB-CB 4.28Å; D87-Q92 HydrophobicContact CB-CG 4.08Å; D87-Q92 PolarHBondContact O-N 3.39Å; D87-Q92 PolarHBondContact OD2-NE2 2.94Å
88I94.3Very high95.4Very high23 Ų2353.6 Ų53.612%0.11831%0.31CS..G310 helixtrans-65.5-18175.263.5156.6000112.9L86 R90 Q92 W93 L97 V102 S105L86-I88 VanDerWaalsContact C-N 3.31Å; L86-I88 HydrophobicContact CD1-CG1 4.46Å; L86-I88 HydrophobicContact CD2-CD1 3.92Å; L86-I88 HydrophobicContact CD2-CG1 3.6Å; L86-I88 HydrophobicContact CG-CD1 4.46Å; L86-I88 HydrophobicContact CG-CG1 3.65Å; L86-I88 PolarHBondContact O-N 3.46Å; I88-R90 VanDerWaalsContact C-N 3.28Å; I88-Q92 HydrophobicContact CG2-CB 4.3Å; I88-W93 WeakPolarHBondContact O-CA 3.44Å; I88-W93 WeakPolarHBondContact O-CB 3.21Å; I88-W93 VanDerWaalsContact O-CE3 3.3Å; I88-L97 HydrophobicContact CB-CD1 3.86Å; I88-L97 HydrophobicContact CG2-CD1 4.14Å; I88-V102 HydrophobicContact CD1-CG2 4.08Å; I88-S105 WeakPolarHBondContact CD1-OG 3.45Å
89L94.2Very high95.3Very high21 Ų2153.6 Ų53.611%0.1131%0.31CS..G310 helixtrans-87.52.1171.2-65.8176.1000112.5P64 P65 V67 I84 L86 D87 V102P64-L89 WeakPolarHBondContact CG-O 3.32Å; P65-L89 HydrophobicContact CG-CD2 4.38Å; V67-L89 HydrophobicContact CB-CD1 4.13Å; V67-L89 HydrophobicContact CB-CD2 4.49Å; V67-L89 HydrophobicContact CG2-CD1 4.48Å; V67-L89 HydrophobicContact CG2-CD2 3.96Å; I84-L89 HydrophobicContact CB-CD1 4.38Å; L86-L89 HydrophobicContact CB-CD1 4.23Å; L86-L89 HydrophobicContact CB-CG 4.43Å; L86-L89 HydrophobicContact CD2-CD1 4.43Å; L86-L89 HydrophobicContact CD2-CG 4.44Å; L86-L89 WeakPolarHBondContact O-CB 3.37Å; L86-L89 PolarHBondContact O-N 3.31Å; D87-L89 PolarHBondContact O-N 2.9Å; L89-V102 HydrophobicContact CD2-CG1 3.75Å; L89-V102 HydrophobicContact CD2-CG2 4.34Å
90R91.6Very high95.2Very high136 Ų13652.9 Ų52.951%0.51331%0.308SS..THydrogen-bonded Turntrans-136.4-107.9-174.8-58.9-177.1-174.1177.65.3110.9I84 D87 I88I84-R90 PolarHBondContact O-NH2 3.12Å; D87-R90 CarbonylContact O-C 3.6Å; D87-R90 VanDerWaalsContact O-C 3.32Å; D87-R90 WeakPolarHBondContact O-CA 3.48Å; D87-R90 PolarHBondContact O-N 3.33Å; I88-R90 VanDerWaalsContact C-N 3.28Å
91S92.8Very high95.3Very high111 Ų11152.9 Ų52.978%0.77630%0.295SS*.THydrogen-bonded Turntrans-74.1-27.4-171.748.70000113.6D87D87-S91 PolarHBondContact O-N 2.99Å
92Q95.6Very high95.4Very high125 Ų12546.8 Ų46.858%0.58426%0.263SS*.THydrogen-bonded Turntrans-96.912.5179.5-63-140.960.200113D87 I88 S94D87-Q92 HydrophobicContact CB-CB 4.28Å; D87-Q92 HydrophobicContact CB-CG 4.08Å; D87-Q92 PolarHBondContact O-N 3.39Å; D87-Q92 PolarHBondContact OD2-NE2 2.94Å; I88-Q92 HydrophobicContact CG2-CB 4.3Å; Q92-S94 PolarHBondContact O-N 2.85Å
93W97.6Very high95.4Very high31 Ų3146.6 Ų46.612%0.11726%0.26CS..  trans-62.9132.5173.3176.9-103.6000110.7Y60 P61 P64 P65 I88 L97 V102Y60-W93 HydrophobicContact CD2-CZ2 4.25Å; Y60-W93 AromaticContact CE2-CH2 3.67Å; Y60-W93 HydrophobicContact CE2-CH2 3.67Å; Y60-W93 AromaticContact CE2-CZ2 3.5Å; Y60-W93 HydrophobicContact CE2-CZ2 3.5Å; P61-W93 HydrophobicContact CB-CZ2 4.4Å; P61-W93 PolarHBondContact O-NE1 3.32Å; P64-W93 HydrophobicContact CB-CB 3.96Å; P64-W93 HydrophobicContact CB-CD2 3.55Å; P64-W93 HydrophobicContact CB-CE3 3.79Å; P64-W93 HydrophobicContact CB-CG 3.61Å; P64-W93 HydrophobicContact CG-CB 4.13Å; P64-W93 HydrophobicContact CG-CD2 4.49Å; P64-W93 HydrophobicContact CG-CG 4.06Å; P65-W93 HydrophobicContact CG-CZ3 4.49Å; I88-W93 WeakPolarHBondContact O-CA 3.44Å; I88-W93 WeakPolarHBondContact O-CB 3.21Å; I88-W93 VanDerWaalsContact O-CE3 3.3Å; W93-L97 HydrophobicContact CE3-CB 4.09Å; W93-L97 HydrophobicContact CE3-CD1 3.91Å; W93-L97 HydrophobicContact CH2-CB 4Å; W93-L97 HydrophobicContact CZ3-CB 3.66Å; W93-L97 HydrophobicContact CZ3-CD1 4.24Å; W93-V102 HydrophobicContact CZ3-CG2 3.92Å
94S97.3Very high95.3Very high54 Ų5447.9 Ų47.938%0.37826%0.263SS..  trans-128.1140.2172.3171.20000109.5Q92 A96 L97Q92-S94 PolarHBondContact O-N 2.85Å; S94-A96 PolarHBondContact O-N 3.45Å; S94-A96 PolarHBondContact OG-N 2.91Å; S94-L97 WeakPolarHBondContact O-CB 3.46Å; S94-L97 PolarHBondContact O-N 3.17Å
95P96.8Very high95.2Very high52 Ų5249.6 Ų49.634%0.33828%0.275SS..THydrogen-bonded Turntrans-56.2-14.7173.3-27.135.7000115R5 P61 F62R5-P95 PolarHBondContact NH1-O 3.43Å; R5-P95 PolarHBondContact NH2-O 2.99Å; R5-P95 VanDerWaalsContact NH2-O 3.13Å; P61-P95 HydrophobicContact CB-CB 4.29Å; P61-P95 HydrophobicContact CG-CB 4.1Å; P61-P95 WeakPolarHBondContact O-CA 3.14Å; F62-P95 HydrophobicContact CD1-CG 4.22Å
96A96.4Very high95.3Very high67 Ų6749.2 Ų49.255%0.55427%0.273SS*.THydrogen-bonded Turntrans-81.3-12.117400000114S94S94-A96 PolarHBondContact O-N 3.45Å; S94-A96 PolarHBondContact OG-N 2.91Å
97L97.1Very high95.4Very high30 Ų3048.6 Ų48.616%0.15727%0.27CS..  trans-76.9148.8171.9-64.1176.3000110.5R5 I88 W93 S94 K101R5-L97 PolarHBondContact NH2-O 3.31Å; I88-L97 HydrophobicContact CB-CD1 3.86Å; I88-L97 HydrophobicContact CG2-CD1 4.14Å; W93-L97 HydrophobicContact CE3-CB 4.09Å; W93-L97 HydrophobicContact CE3-CD1 3.91Å; W93-L97 HydrophobicContact CH2-CB 4Å; W93-L97 HydrophobicContact CZ3-CB 3.66Å; W93-L97 HydrophobicContact CZ3-CD1 4.24Å; S94-L97 WeakPolarHBondContact O-CB 3.46Å; S94-L97 PolarHBondContact O-N 3.17Å; L97-K101 HydrophobicContact CD2-CD 4.09Å
98T96.3Very high95.5Very high34 Ų3448.7 Ų48.721%0.20928%0.276CS..  trans-122.9164.4179.761.60000109.7E9 S100 K101 V102E9-T98 HydrophobicContact CG-CG2 4.28Å; E9-T98 VanDerWaalsContact OE2-CA 3.24Å; E9-T98 WeakPolarHBondContact OE2-CA 3.48Å; E9-T98 VanDerWaalsContact OE2-CB 3.29Å; E9-T98 WeakPolarHBondContact OE2-CB 3.14Å; T98-S100 VanDerWaalsContact C-N 3.27Å; T98-S100 PolarHBondContact O-N 3.2Å; T98-K101 PolarHBondContact O-N 3.25Å; T98-K101 PolarHBondContact OG1-N 2.89Å; T98-V102 WeakPolarHBondContact O-CG2 3.36Å; T98-V102 PolarHBondContact O-N 3.37Å
99I96.1Very high95.6Very high2 Ų248.3 Ų48.31%0.0127%0.274CS..Hα-helixtrans-58-40.2173.2-67.3-48.1000111.8E9 L13 A23 W33 V54 F56 P65 K101 V102 L103E9-I99 PolarHBondContact OE2-N 2.75Å; L13-I99 HydrophobicContact CD1-CG2 4.31Å; A23-I99 HydrophobicContact CB-CG2 4.48Å; W33-I99 HydrophobicContact CE3-CG2 4.38Å; W33-I99 HydrophobicContact CZ3-CB 4.48Å; W33-I99 HydrophobicContact CZ3-CG2 4.22Å; V54-I99 HydrophobicContact CG1-CD1 4.03Å; F56-I99 HydrophobicContact CD1-CD1 4.45Å; F56-I99 HydrophobicContact CE1-CD1 3.55Å; F56-I99 HydrophobicContact CE1-CG1 3.41Å; F56-I99 VanDerWaalsContact CE1-CG1 3.41Å; F56-I99 HydrophobicContact CZ-CD1 3.82Å; F56-I99 HydrophobicContact CZ-CG1 3.38Å; P65-I99 HydrophobicContact CB-CD1 4Å; P65-I99 HydrophobicContact CG-CD1 3.58Å; I99-K101 VanDerWaalsContact C-N 3.34Å; I99-K101 PolarHBondContact O-N 3.5Å; I99-V102 PolarHBondContact O-N 3.49Å; I99-V102 VanDerWaalsContact O-N 3.17Å; I99-L103 HydrophobicContact CG2-CD1 3.84Å; I99-L103 HydrophobicContact CG2-CG 4.1Å; I99-L103 WeakPolarHBondContact O-CG 3.24Å; I99-L103 PolarHBondContact O-N 2.91Å
100S94.7Very high95.7Very high29 Ų2947.4 Ų47.420%0.20327%0.269CS..Hα-helixtrans-56-48.2175.1179.40000111.6T98 V102 L103 L104T98-S100 VanDerWaalsContact C-N 3.27Å; T98-S100 PolarHBondContact O-N 3.2Å; S100-V102 PolarHBondContact O-N 2.97Å; S100-L103 PolarHBondContact O-N 2.89Å; S100-L104 WeakPolarHBondContact O-CB 3.4Å; S100-L104 VanDerWaalsContact O-CG 3.28Å; S100-L104 WeakPolarHBondContact O-CG 3.43Å; S100-L104 PolarHBondContact O-N 3.48Å
101K95.2Very high95.8Very high105 Ų10543.9 Ų43.946%0.45727%0.265SS..Hα-helixtrans-62.7-41.1176.1-69.8179.3179.9179.20112.5L97 T98 I99 L104 S105L97-K101 HydrophobicContact CD2-CD 4.09Å; T98-K101 PolarHBondContact O-N 3.25Å; T98-K101 PolarHBondContact OG1-N 2.89Å; I99-K101 VanDerWaalsContact C-N 3.34Å; I99-K101 PolarHBondContact O-N 3.5Å; K101-L104 PolarHBondContact O-N 2.89Å; K101-S105 PolarHBondContact O-N 3.19Å; K101-S105 PolarHBondContact O-OG 2.81Å; K101-S105 VanDerWaalsContact O-OG 3.1Å
102V96.7Very high95.9Very high1 Ų144 Ų441%0.00626%0.257CS..Hα-helixtrans-60.4-47.8176.1168.90000111.1V67 I88 L89 W93 T98 I99 S100 L104 S105 I106V67-V102 HydrophobicContact CG2-CG1 4.16Å; I88-V102 HydrophobicContact CD1-CG2 4.08Å; L89-V102 HydrophobicContact CD2-CG1 3.75Å; L89-V102 HydrophobicContact CD2-CG2 4.34Å; W93-V102 HydrophobicContact CZ3-CG2 3.92Å; T98-V102 WeakPolarHBondContact O-CG2 3.36Å; T98-V102 PolarHBondContact O-N 3.37Å; I99-V102 PolarHBondContact O-N 3.49Å; I99-V102 VanDerWaalsContact O-N 3.17Å; S100-V102 PolarHBondContact O-N 2.97Å; V102-L104 VanDerWaalsContact C-N 3.35Å; V102-L104 PolarHBondContact O-N 3.19Å; V102-S105 PolarHBondContact O-N 3.19Å; V102-I106 HydrophobicContact CG1-CD1 4.04Å; V102-I106 WeakPolarHBondContact O-CG1 3.46Å; V102-I106 PolarHBondContact O-N 3.41Å
103L96.4Very high96Very high1 Ų138.7 Ų38.71%0.00523%0.233CC..Hα-helixtrans-63.9-41.2178.4-67174.4000111.3C21 A23 A35 I37 I99 S100 S105 I106 C107C21-L103 HydrophobicContact CB-CB 4.05Å; A23-L103 HydrophobicContact CB-CD1 3.8Å; A35-L103 HydrophobicContact CB-CD1 4.12Å; A35-L103 HydrophobicContact CB-CD2 3.69Å; I37-L103 HydrophobicContact CD1-CD2 4.4Å; I99-L103 HydrophobicContact CG2-CD1 3.84Å; I99-L103 HydrophobicContact CG2-CG 4.1Å; I99-L103 WeakPolarHBondContact O-CG 3.24Å; I99-L103 PolarHBondContact O-N 2.91Å; S100-L103 PolarHBondContact O-N 2.89Å; L103-S105 VanDerWaalsContact C-N 3.35Å; L103-S105 PolarHBondContact O-N 3.44Å; L103-I106 PolarHBondContact O-N 3.1Å; L103-C107 WeakPolarHBondContact O-CB 3.5Å; L103-C107 PolarHBondContact O-N 2.84Å; L103-C107 PolarHBondContact O-SG 3.02Å
104L94.8Very high95.8Very high81 Ų8140.5 Ų40.542%0.42425%0.245SC..Hα-helixtrans-61.8-41.1174.3-72.5172.4000112.1P18 S100 K101 V102 I106 C107 S108P18-L104 HydrophobicContact CB-CD2 4.02Å; S100-L104 WeakPolarHBondContact O-CB 3.4Å; S100-L104 VanDerWaalsContact O-CG 3.28Å; S100-L104 WeakPolarHBondContact O-CG 3.43Å; S100-L104 PolarHBondContact O-N 3.48Å; K101-L104 PolarHBondContact O-N 2.89Å; V102-L104 VanDerWaalsContact C-N 3.35Å; V102-L104 PolarHBondContact O-N 3.19Å; L104-I106 VanDerWaalsContact C-N 3.33Å; L104-I106 PolarHBondContact O-N 3.44Å; L104-C107 PolarHBondContact O-N 3.18Å; L104-S108 WeakPolarHBondContact O-CB 3.36Å; L104-S108 PolarHBondContact O-N 2.9Å
105S95.9Very high95.7Very high44 Ų4438.9 Ų38.931%0.30823%0.233SC..Hα-helixtrans-64.8-36174.4-64.60000112.5I88 K101 V102 L103 S108 L109I88-S105 WeakPolarHBondContact CD1-OG 3.45Å; K101-S105 PolarHBondContact O-N 3.19Å; K101-S105 PolarHBondContact O-OG 2.81Å; K101-S105 VanDerWaalsContact O-OG 3.1Å; V102-S105 PolarHBondContact O-N 3.19Å; L103-S105 VanDerWaalsContact C-N 3.35Å; L103-S105 PolarHBondContact O-N 3.44Å; S105-S108 PolarHBondContact O-N 3.37Å; S105-L109 WeakPolarHBondContact O-CB 3.29Å; S105-L109 PolarHBondContact O-N 2.84Å
106I96.6Very high95.6Very high0 Ų042.5 Ų42.50%025%0.249CC..Hα-helixtrans-68.9-44.4172.6-63.4164000110.4I37 L52 V67 F69 I84 L86 V102 L103 L104 S108 L109 L110I37-I106 HydrophobicContact CD1-CB 4Å; I37-I106 HydrophobicContact CD1-CG2 3.57Å; L52-I106 HydrophobicContact CD2-CD1 4.09Å; L52-I106 HydrophobicContact CD2-CG2 4.39Å; V67-I106 HydrophobicContact CG1-CD1 3.87Å; F69-I106 HydrophobicContact CE2-CG2 3.82Å; F69-I106 HydrophobicContact CZ-CG2 3.73Å; I84-I106 HydrophobicContact CD1-CD1 3.73Å; I84-I106 HydrophobicContact CD1-CG1 4.22Å; L86-I106 HydrophobicContact CD2-CG1 3.95Å; V102-I106 HydrophobicContact CG1-CD1 4.04Å; V102-I106 WeakPolarHBondContact O-CG1 3.46Å; V102-I106 PolarHBondContact O-N 3.41Å; L103-I106 PolarHBondContact O-N 3.1Å; L104-I106 VanDerWaalsContact C-N 3.33Å; L104-I106 PolarHBondContact O-N 3.44Å; I106-S108 PolarHBondContact O-N 2.86Å; I106-L109 WeakPolarHBondContact O-CB 3.16Å; I106-L109 PolarHBondContact O-N 3.31Å; I106-L110 WeakPolarHBondContact O-CG 3.5Å; I106-L110 PolarHBondContact O-N 2.85Å
107C94.9Very high95.4Very high8 Ų843.5 Ų43.55%0.05425%0.246CC..Hα-helixtrans-56.6-40.1175.1-68.20000109.5C21 I37 L103 L104 L110C21-C107 WeakPolarHBondContact CB-SG 3.41Å; C21-C107 WeakPolarHBondContact SG-CB 3.47Å; C21-C107 CovalentContact SG-SG 2.12Å; C21-C107 PolarHBondContact SG-SG 3.03Å; I37-C107 VanDerWaalsContact CG1-SG 3.56Å; I37-C107 WeakPolarHBondContact CG2-SG 3.29Å; L103-C107 WeakPolarHBondContact O-CB 3.5Å; L103-C107 PolarHBondContact O-N 2.84Å; L103-C107 PolarHBondContact O-SG 3.02Å; L104-C107 PolarHBondContact O-N 3.18Å; C107-L110 PolarHBondContact O-N 3.45Å
108S94.8Very high95.3Very high68 Ų6844 Ų4448%0.47625%0.251SS..Hα-helixtrans-67.5-39.6172.5-170.60000113.5L104 S105 I106 L110 C111 D112L104-S108 WeakPolarHBondContact O-CB 3.36Å; L104-S108 PolarHBondContact O-N 2.9Å; S105-S108 PolarHBondContact O-N 3.37Å; I106-S108 PolarHBondContact O-N 2.86Å; S108-L110 PolarHBondContact O-N 2.74Å; S108-C111 WeakPolarHBondContact O-CB 3.42Å; S108-C111 PolarHBondContact O-N 2.8Å; S108-C111 VanDerWaalsContact O-N 3.09Å; S108-D112 PolarHBondContact O-N 2.92Å
109L95.9Very high95.2Very high15 Ų1545 Ų458%0.07925%0.254CS..Hα-helixtrans-62.5-33.3177.8-175.765.9000111.7H75 N77 I84 S105 I106 C111 D112 P113H75-L109 PolarHBondContact NE2-O 3.33Å; H75-L109 VanDerWaalsContact NE2-O 3.07Å; N77-L109 HydrophobicContact CB-CD1 4.37Å; N77-L109 HydrophobicContact CB-CD2 4.07Å; I84-L109 HydrophobicContact CG2-CD2 4.02Å; S105-L109 WeakPolarHBondContact O-CB 3.29Å; S105-L109 PolarHBondContact O-N 2.84Å; I106-L109 WeakPolarHBondContact O-CB 3.16Å; I106-L109 PolarHBondContact O-N 3.31Å; L109-C111 VanDerWaalsContact C-N 3.32Å; L109-D112 CarbonylContact O-C 3.51Å; L109-D112 VanDerWaalsContact O-C 3.24Å; L109-D112 PolarHBondContact O-N 2.7Å; L109-P113 WeakPolarHBondContact O-CA 3.49Å
110L96.4Very high95.3Very high2 Ų246.2 Ų46.21%0.0126%0.262CS..Hα-helixtrans-68-30.3173.9-64.1-173.9000113.1I37 P40 Y45 F69 I73 I78 I106 C107 S108I37-L110 HydrophobicContact CG2-CD1 3.94Å; P40-L110 HydrophobicContact CG-CB 4.33Å; Y45-L110 HydrophobicContact CD2-CB 3.96Å; Y45-L110 HydrophobicContact CD2-CD2 4.4Å; Y45-L110 HydrophobicContact CE2-CB 4.21Å; Y45-L110 HydrophobicContact CE2-CD2 4.22Å; Y45-L110 VanDerWaalsContact CE2-O 3.27Å; Y45-L110 WeakPolarHBondContact CE2-O 3.24Å; F69-L110 HydrophobicContact CZ-CD2 4.39Å; I73-L110 HydrophobicContact CD1-CD2 3.48Å; I73-L110 VanDerWaalsContact CD1-CD2 3.48Å; I78-L110 HydrophobicContact CD1-CD2 4.06Å; I106-L110 WeakPolarHBondContact O-CG 3.5Å; I106-L110 PolarHBondContact O-N 2.85Å; C107-L110 PolarHBondContact O-N 3.45Å; S108-L110 PolarHBondContact O-N 2.74Å
111C94.3Very high95.4Very high61 Ų6149 Ų4941%0.41228%0.279SS..Hα-helixtrans-74.4-47.7172.8-64.90000110.9P40 S108 L109 P113P40-C111 WeakPolarHBondContact CB-SG 3.35Å; P40-C111 VanDerWaalsContact CG-SG 3.51Å; S108-C111 WeakPolarHBondContact O-CB 3.42Å; S108-C111 PolarHBondContact O-N 2.8Å; S108-C111 VanDerWaalsContact O-N 3.09Å; L109-C111 VanDerWaalsContact C-N 3.32Å; C111-P113 WeakPolarHBondContact O-CD 3.42Å
112D94.9Very high95.6Very high115 Ų11551.3 Ų51.362%0.61529%0.292SS*.SBendtrans-124.883.7-173.6-64.6-53.5000111S108 L109S108-D112 PolarHBondContact O-N 2.92Å; L109-D112 CarbonylContact O-C 3.51Å; L109-D112 VanDerWaalsContact O-C 3.24Å; L109-D112 PolarHBondContact O-N 2.7Å
113P96.1Very high95.6Very high12 Ų1252.1 Ų52.18%0.07830%0.296CS..  trans-59.8149175.4-21.629.9000112P76 L109 C111 P115 Y127 Y134P76-P113 HydrophobicContact CG-CB 3.5Å; P76-P113 HydrophobicContact CG-CG 4.47Å; L109-P113 WeakPolarHBondContact O-CA 3.49Å; C111-P113 WeakPolarHBondContact O-CD 3.42Å; P113-P115 WeakPolarHBondContact O-CD 3.45Å; P113-Y127 HydrophobicContact CB-CE1 4.47Å; P113-Y127 HydrophobicContact CB-CE2 4.22Å; P113-Y127 HydrophobicContact CG-CD2 4.37Å; P113-Y127 HydrophobicContact CG-CE2 3.78Å; P113-Y134 WeakPolarHBondContact CG-OH 3.37Å
114N95.1Very high95.7Very high70 Ų7052.2 Ų52.237%0.37430%0.297SS..  trans-102.194176.2-179.8-1.4000110.9N77 D116 D117N77-N114 PolarHBondContact ND2-O 3.17Å; N77-N114 PolarHBondContact OD1-N 2.98Å; N77-N114 PolarHBondContact OD1-O 2.92Å; N114-D116 VanDerWaalsContact C-N 3.25Å; N114-D116 PolarHBondContact O-N 3.33Å; N114-D116 PolarHBondContact OD1-N 3.06Å; N114-D116 VanDerWaalsContact OD1-N 3.1Å; N114-D117 PolarHBondContact OD1-N 2.81Å
115P94.7Very high95.9Very high20 Ų2053.7 Ų53.713%0.1330%0.301CS..THydrogen-bonded Turntrans-80.4-1.7-177.237.4-40.9000114P113 A124 Y127 K128P113-P115 WeakPolarHBondContact O-CD 3.45Å; P115-A124 HydrophobicContact CB-CB 4.19Å; P115-Y127 HydrophobicContact CB-CD1 3.77Å; P115-Y127 HydrophobicContact CB-CE1 4.33Å; P115-Y127 HydrophobicContact CG-CD1 3.79Å; P115-Y127 HydrophobicContact CG-CE1 3.88Å; P115-K128 HydrophobicContact CB-CD 3.97Å; P115-K128 HydrophobicContact CB-CG 3.81Å; P115-K128 HydrophobicContact CG-CD 4.35Å; P115-K128 HydrophobicContact CG-CG 4.03Å; P115-K128 WeakPolarHBondContact O-CE 3.37Å; P115-K128 PolarHBondContact O-NZ 3.32Å
116D93.9Very high96Very high127 Ų12753.2 Ų53.268%0.67930%0.295SS*.THydrogen-bonded Turntrans-89-21.5177.6-63.2-38.7000112.7N114 P118 K128N114-D116 VanDerWaalsContact C-N 3.25Å; N114-D116 PolarHBondContact O-N 3.33Å; N114-D116 PolarHBondContact OD1-N 3.06Å; N114-D116 VanDerWaalsContact OD1-N 3.1Å; D116-P118 VanDerWaalsContact C-CD 3.43Å; D116-K128 VanDerWaalsContact OD1-CE 3.29Å; D116-K128 WeakPolarHBondContact OD1-CE 3.44Å; D116-K128 IonicContact OD1-NZ 2.7Å; D116-K128 PolarHBondContact OD1-NZ 3.35Å
117D92.3Very high96Very high89 Ų8954.4 Ų54.448%0.47630%0.3SS..SBendtrans-12566170-174.434.6000112N77 C85 N114N77-D117 PolarHBondContact ND2-O 3.2Å; C85-D117 PolarHBondContact SG-OD2 3Å; N114-D117 PolarHBondContact OD1-N 2.81Å
118P94.8Very high96.1Very high40 Ų4059 Ų5926%0.2632%0.319SS..  trans-82.7145.5-173.535-36.5000113D116 A124D116-P118 VanDerWaalsContact C-CD 3.43Å; P118-A124 HydrophobicContact CB-CB 3.42Å; P118-A124 VanDerWaalsContact CB-CB 3.42Å; P118-A124 HydrophobicContact CG-CB 3.88Å
119L95.5Very high96.3Very high54 Ų5460.2 Ų60.228%0.28332%0.324SS..SBendtrans-82.7-26.9161.6-73.5-175000112.7P76 N77 N79 S83 C85P76-L119 PolarHBondContact O-N 3.3Å; N77-L119 WeakPolarHBondContact O-CD1 3.46Å; N79-L119 HydrophobicContact CB-CB 4.38Å; N79-L119 HydrophobicContact CB-CD1 4.48Å; S83-L119 WeakPolarHBondContact O-CD1 3.45Å; C85-L119 HydrophobicContact CB-CD1 3.89Å; C85-L119 HydrophobicContact CB-CD2 3.8Å; C85-L119 HydrophobicContact CB-CG 3.5Å
120V97.5Very high96.4Very high29 Ų2962.6 Ų62.618%0.17634%0.337CS..SBendtrans-123.388.9-178.9-166.80000108.1P76 N79 E122 I123 A124P76-V120 PolarHBondContact O-N 2.89Å; N79-V120 HydrophobicContact CB-CG2 4.12Å; V120-E122 PolarHBondContact O-N 3.38Å; V120-E122 VanDerWaalsContact O-N 3.16Å; V120-I123 HydrophobicContact CB-CB 4.25Å; V120-I123 HydrophobicContact CB-CD1 4.02Å; V120-I123 HydrophobicContact CB-CG1 4.12Å; V120-I123 HydrophobicContact CG1-CB 4.19Å; V120-I123 HydrophobicContact CG1-CD1 3.72Å; V120-I123 HydrophobicContact CG1-CG1 3.62Å; V120-I123 HydrophobicContact CG2-CD1 4.4Å; V120-I123 PolarHBondContact O-N 3.41Å; V120-I123 VanDerWaalsContact O-N 3.13Å; V120-A124 PolarHBondContact O-N 3.01Å; V120-A124 VanDerWaalsContact O-N 3.1Å
121P97.5Very high96.4Very high87 Ų8767.9 Ų67.957%0.56536%0.356SS*.Hα-helixtrans-55.7-34.5-174.8-28.235.7000113.6A124 Q125P121-A124 PolarHBondContact O-N 3.18Å; P121-Q125 WeakPolarHBondContact O-CB 3.41Å; P121-Q125 PolarHBondContact O-N 3.33Å
122E97.6Very high96.6Very high153 Ų15372.8 Ų72.872%0.71537%0.373SS*.Hα-helixtrans-62.8-45.8178.7-63.6166.5-179.300112.2V120 A124 Q125 I126V120-E122 PolarHBondContact O-N 3.38Å; V120-E122 VanDerWaalsContact O-N 3.16Å; E122-A124 VanDerWaalsContact C-N 3.34Å; E122-Q125 PolarHBondContact O-N 3.17Å; E122-I126 WeakPolarHBondContact O-CG1 3.46Å; E122-I126 PolarHBondContact O-N 3.05Å; E122-I126 VanDerWaalsContact O-N 3.12Å
123I98.2Very high96.8Very high18 Ų1872.5 Ų72.59%0.09237%0.366CS..Hα-helixtrans-67.6-39.6177.3-60.2-179.9000109.9Y74 P76 V120 Q125 I126 Y127 Y134Y74-I123 HydrophobicContact CD1-CG2 4.1Å; Y74-I123 HydrophobicContact CD2-CD1 3.75Å; Y74-I123 HydrophobicContact CD2-CG1 4.29Å; Y74-I123 HydrophobicContact CE1-CD1 4.48Å; Y74-I123 HydrophobicContact CE1-CG1 4.28Å; Y74-I123 HydrophobicContact CE1-CG2 3.67Å; Y74-I123 HydrophobicContact CE2-CD1 3.66Å; Y74-I123 HydrophobicContact CE2-CG1 3.69Å; Y74-I123 HydrophobicContact CG-CD1 4.2Å; P76-I123 HydrophobicContact CB-CB 4.38Å; P76-I123 HydrophobicContact CB-CG2 4.1Å; V120-I123 HydrophobicContact CB-CB 4.25Å; V120-I123 HydrophobicContact CB-CD1 4.02Å; V120-I123 HydrophobicContact CB-CG1 4.12Å; V120-I123 HydrophobicContact CG1-CB 4.19Å; V120-I123 HydrophobicContact CG1-CD1 3.72Å; V120-I123 HydrophobicContact CG1-CG1 3.62Å; V120-I123 HydrophobicContact CG2-CD1 4.4Å; V120-I123 PolarHBondContact O-N 3.41Å; V120-I123 VanDerWaalsContact O-N 3.13Å; I123-Q125 VanDerWaalsContact C-N 3.34Å; I123-Q125 PolarHBondContact O-N 2.92Å; I123-I126 PolarHBondContact O-N 3.26Å; I123-Y127 WeakPolarHBondContact O-CB 3.36Å; I123-Y127 PolarHBondContact O-N 3.38Å; I123-Y134 HydrophobicContact CG2-CD2 4.04Å; I123-Y134 HydrophobicContact CG2-CE2 3.72Å
124A97.9Very high96.9Very high3 Ų372.1 Ų72.13%0.02536%0.363CS..Hα-helixtrans-63.8-39.7177.600000112.4P76 P115 P118 V120 P121 E122 Y127 K128P76-A124 HydrophobicContact CB-CB 3.78Å; P115-A124 HydrophobicContact CB-CB 4.19Å; P118-A124 HydrophobicContact CB-CB 3.42Å; P118-A124 VanDerWaalsContact CB-CB 3.42Å; P118-A124 HydrophobicContact CG-CB 3.88Å; V120-A124 PolarHBondContact O-N 3.01Å; V120-A124 VanDerWaalsContact O-N 3.1Å; P121-A124 PolarHBondContact O-N 3.18Å; E122-A124 VanDerWaalsContact C-N 3.34Å; A124-Y127 PolarHBondContact O-N 3.24Å; A124-K128 WeakPolarHBondContact O-CB 3.37Å; A124-K128 WeakPolarHBondContact O-CG 3.44Å; A124-K128 PolarHBondContact O-N 3.45Å
125Q98.1Very high97Very high112 Ų11270.9 Ų70.952%0.52336%0.357SS..Hα-helixtrans-62.2-47.2174.7-173.562.320.800110.7P121 E122 I123 Y127 K128 T129P121-Q125 WeakPolarHBondContact O-CB 3.41Å; P121-Q125 PolarHBondContact O-N 3.33Å; E122-Q125 PolarHBondContact O-N 3.17Å; I123-Q125 VanDerWaalsContact C-N 3.34Å; I123-Q125 PolarHBondContact O-N 2.92Å; Q125-Y127 VanDerWaalsContact C-N 3.32Å; Q125-Y127 PolarHBondContact O-N 3.12Å; Q125-K128 PolarHBondContact O-N 2.88Å; Q125-T129 HydrophobicContact CG-CG2 4.48Å; Q125-T129 PolarHBondContact O-N 2.74Å; Q125-T129 PolarHBondContact O-OG1 2.97Å
126I98.3Very high97.2Very high35 Ų3576 Ų7618%0.17938%0.377CS..Hα-helixtrans-61.3-42.5176.2-64.1165.2000110.6Y74 E122 I123 K128 T129 D130 K133Y74-I126 WeakPolarHBondContact OH-CD1 3.48Å; E122-I126 WeakPolarHBondContact O-CG1 3.46Å; E122-I126 PolarHBondContact O-N 3.05Å; E122-I126 VanDerWaalsContact O-N 3.12Å; I123-I126 PolarHBondContact O-N 3.26Å; I126-K128 VanDerWaalsContact C-N 3.27Å; I126-K128 PolarHBondContact O-N 3.4Å; I126-T129 PolarHBondContact O-N 2.91Å; I126-D130 CarbonylContact O-C 3.52Å; I126-D130 WeakPolarHBondContact O-CA 3.33Å; I126-D130 PolarHBondContact O-N 3.38Å; I126-D130 VanDerWaalsContact O-O 3.05Å; I126-K133 HydrophobicContact CG2-CB 4.28Å; I126-K133 HydrophobicContact CG2-CD 4.28Å; I126-K133 HydrophobicContact CG2-CG 4.17Å
127Y97.9Very high97.4Very high24 Ų2471.9 Ų71.99%0.09436%0.355CS..Hα-helixtrans-60-35.8176.7-179.6-96.7000113.1P113 P115 I123 A124 Q125 R131 Y134P113-Y127 HydrophobicContact CB-CE1 4.47Å; P113-Y127 HydrophobicContact CB-CE2 4.22Å; P113-Y127 HydrophobicContact CG-CD2 4.37Å; P113-Y127 HydrophobicContact CG-CE2 3.78Å; P115-Y127 HydrophobicContact CB-CD1 3.77Å; P115-Y127 HydrophobicContact CB-CE1 4.33Å; P115-Y127 HydrophobicContact CG-CD1 3.79Å; P115-Y127 HydrophobicContact CG-CE1 3.88Å; I123-Y127 WeakPolarHBondContact O-CB 3.36Å; I123-Y127 PolarHBondContact O-N 3.38Å; A124-Y127 PolarHBondContact O-N 3.24Å; Q125-Y127 VanDerWaalsContact C-N 3.32Å; Q125-Y127 PolarHBondContact O-N 3.12Å; Y127-R131 VanDerWaalsContact CE2-NE 3.29Å; Y127-R131 VanDerWaalsContact CZ-NH1 3.34Å; Y127-R131 PolarHBondContact O-NE 3.1Å; Y127-R131 PolarHBondContact O-NH2 3.1Å; Y127-R131 VanDerWaalsContact O-NH2 3.11Å; Y127-R131 PolarHBondContact OH-NH1 3.39Å; Y127-R131 VanDerWaalsContact OH-NH1 3.1Å; Y127-Y134 AromaticContact CD2-CD1 3.61Å; Y127-Y134 HydrophobicContact CD2-CD1 3.61Å; Y127-Y134 AromaticContact CD2-CD2 3.95Å; Y127-Y134 HydrophobicContact CD2-CD2 3.95Å; Y127-Y134 AromaticContact CD2-CE1 3.57Å; Y127-Y134 HydrophobicContact CD2-CE1 3.57Å; Y127-Y134 AromaticContact CD2-CE2 3.92Å; Y127-Y134 HydrophobicContact CD2-CE2 3.92Å; Y127-Y134 AromaticContact CD2-CG 3.79Å; Y127-Y134 HydrophobicContact CD2-CG 3.79Å; Y127-Y134 AromaticContact CD2-CZ 3.71Å; Y127-Y134 HydrophobicContact CE2-CD1 4.17Å; Y127-Y134 AromaticContact CE2-CE1 3.9Å; Y127-Y134 HydrophobicContact CE2-CE1 3.9Å; Y127-Y134 HydrophobicContact CG-CD2 4.46Å
128K97.4Very high97.7Very high104 Ų10467.6 Ų67.645%0.45233%0.332SS..Hα-helixtrans-77.5-40178.1-78.2174.9161.2165.20113P115 D116 A124 Q125 I126P115-K128 HydrophobicContact CB-CD 3.97Å; P115-K128 HydrophobicContact CB-CG 3.81Å; P115-K128 HydrophobicContact CG-CD 4.35Å; P115-K128 HydrophobicContact CG-CG 4.03Å; P115-K128 WeakPolarHBondContact O-CE 3.37Å; P115-K128 PolarHBondContact O-NZ 3.32Å; D116-K128 VanDerWaalsContact OD1-CE 3.29Å; D116-K128 WeakPolarHBondContact OD1-CE 3.44Å; D116-K128 IonicContact OD1-NZ 2.7Å; D116-K128 PolarHBondContact OD1-NZ 3.35Å; A124-K128 WeakPolarHBondContact O-CB 3.37Å; A124-K128 WeakPolarHBondContact O-CG 3.44Å; A124-K128 PolarHBondContact O-N 3.45Å; Q125-K128 PolarHBondContact O-N 2.88Å; I126-K128 VanDerWaalsContact C-N 3.27Å; I126-K128 PolarHBondContact O-N 3.4Å
129T97.9Very high97.9Very high95 Ų9572.2 Ų72.258%0.58334%0.344SS*.Hα-helixtrans-98-29.2-172.460.10000114.6Q125 I126Q125-T129 HydrophobicContact CG-CG2 4.48Å; Q125-T129 PolarHBondContact O-N 2.74Å; Q125-T129 PolarHBondContact O-OG1 2.97Å; I126-T129 PolarHBondContact O-N 2.91Å
130D97.8Very high98.1Very high65 Ų6573.7 Ų73.735%0.34835%0.35SS..  trans-146.681.6-175.1-172.2-14.5000111I126 Q132 K133 Y134I126-D130 CarbonylContact O-C 3.52Å; I126-D130 WeakPolarHBondContact O-CA 3.33Å; I126-D130 PolarHBondContact O-N 3.38Å; I126-D130 VanDerWaalsContact O-O 3.05Å; D130-Q132 PolarHBondContact O-N 2.83Å; D130-Q132 PolarHBondContact OD1-N 2.89Å; D130-K133 HydrophobicContact CB-CB 4.06Å; D130-K133 PolarHBondContact O-N 2.82Å; D130-K133 WeakPolarHBondContact OD1-CB 3.45Å; D130-K133 PolarHBondContact OD1-N 2.83Å; D130-K133 WeakPolarHBondContact OD2-CB 3.31Å; D130-Y134 PolarHBondContact O-N 3.16Å
131R97.4Very high98.1Very high112 Ų11276.2 Ų76.242%0.42336%0.356SS..Hα-helixtrans-61.4-30.9-180-170.258.757.4876.9112.8Y127 N135Y127-R131 VanDerWaalsContact CE2-NE 3.29Å; Y127-R131 VanDerWaalsContact CZ-NH1 3.34Å; Y127-R131 PolarHBondContact O-NE 3.1Å; Y127-R131 PolarHBondContact O-NH2 3.1Å; Y127-R131 VanDerWaalsContact O-NH2 3.11Å; Y127-R131 PolarHBondContact OH-NH1 3.39Å; Y127-R131 VanDerWaalsContact OH-NH1 3.1Å; R131-N135 WeakPolarHBondContact O-CB 3.35Å; R131-N135 VanDerWaalsContact O-CG 3.25Å; R131-N135 PolarHBondContact O-N 3.28Å; R131-N135 PolarHBondContact O-ND2 3.3Å
132Q98.1Very high98.1Very high165 Ų16572.2 Ų72.277%0.77133%0.33SS*.Hα-helixtrans-69-46.2179.5-69.5-170.9-12.800111D130 N135 K136D130-Q132 PolarHBondContact O-N 2.83Å; D130-Q132 PolarHBondContact OD1-N 2.89Å; Q132-N135 PolarHBondContact O-N 3.28Å; Q132-K136 WeakPolarHBondContact O-CB 3.38Å; Q132-K136 PolarHBondContact O-N 3.4Å
133K98.4Very high98.2Very high108 Ų10871 Ų7147%0.4733%0.325SS..Hα-helixtrans-62.4-42.8174.7-177.3176.8-178.4179.80111.9I126 D130 K136 L137I126-K133 HydrophobicContact CG2-CB 4.28Å; I126-K133 HydrophobicContact CG2-CD 4.28Å; I126-K133 HydrophobicContact CG2-CG 4.17Å; D130-K133 HydrophobicContact CB-CB 4.06Å; D130-K133 PolarHBondContact O-N 2.82Å; D130-K133 WeakPolarHBondContact OD1-CB 3.45Å; D130-K133 PolarHBondContact OD1-N 2.83Å; D130-K133 WeakPolarHBondContact OD2-CB 3.31Å; K133-K136 PolarHBondContact O-N 2.88Å; K133-L137 HydrophobicContact CG-CD1 4.01Å; K133-L137 HydrophobicContact CG-CG 4.48Å; K133-L137 WeakPolarHBondContact O-CG 3.41Å; K133-L137 PolarHBondContact O-N 2.92Å
134Y98.5Very high98.2Very high4 Ų479.2 Ų79.22%0.01636%0.355CS..Hα-helixtrans-54.6-53.9173.3173.3-95.5000111.5P44 Y45 Y74 P113 I123 Y127 D130 K136 L137 A138P44-Y134 HydrophobicContact CG-CE1 4.19Å; Y45-Y134 PolarHBondContact OH-OH 3.39Å; Y74-Y134 HydrophobicContact CD1-CD2 4.23Å; Y74-Y134 HydrophobicContact CD1-CE2 4.13Å; Y74-Y134 AromaticContact CE1-CD2 3.81Å; Y74-Y134 HydrophobicContact CE1-CD2 3.81Å; Y74-Y134 HydrophobicContact CE1-CE2 4.11Å; P113-Y134 WeakPolarHBondContact CG-OH 3.37Å; I123-Y134 HydrophobicContact CG2-CD2 4.04Å; I123-Y134 HydrophobicContact CG2-CE2 3.72Å; Y127-Y134 AromaticContact CD2-CD1 3.61Å; Y127-Y134 HydrophobicContact CD2-CD1 3.61Å; Y127-Y134 AromaticContact CD2-CD2 3.95Å; Y127-Y134 HydrophobicContact CD2-CD2 3.95Å; Y127-Y134 AromaticContact CD2-CE1 3.57Å; Y127-Y134 HydrophobicContact CD2-CE1 3.57Å; Y127-Y134 AromaticContact CD2-CE2 3.92Å; Y127-Y134 HydrophobicContact CD2-CE2 3.92Å; Y127-Y134 AromaticContact CD2-CG 3.79Å; Y127-Y134 HydrophobicContact CD2-CG 3.79Å; Y127-Y134 AromaticContact CD2-CZ 3.71Å; Y127-Y134 HydrophobicContact CE2-CD1 4.17Å; Y127-Y134 AromaticContact CE2-CE1 3.9Å; Y127-Y134 HydrophobicContact CE2-CE1 3.9Å; Y127-Y134 HydrophobicContact CG-CD2 4.46Å; D130-Y134 PolarHBondContact O-N 3.16Å; Y134-K136 VanDerWaalsContact C-N 3.29Å; Y134-K136 PolarHBondContact O-N 3.13Å; Y134-L137 PolarHBondContact O-N 2.74Å; Y134-A138 WeakPolarHBondContact O-CB 3.5Å; Y134-A138 PolarHBondContact O-N 2.69Å
135N98.3Very high98.2Very high44 Ų4482.6 Ų82.624%0.23537%0.367CS..Hα-helixtrans-61.1-38.8-178.2-75.6-14.1000111.9P44 R131 Q132 R139P44-N135 HydrophobicContact CB-CB 4.48Å; R131-N135 WeakPolarHBondContact O-CB 3.35Å; R131-N135 VanDerWaalsContact O-CG 3.25Å; R131-N135 PolarHBondContact O-N 3.28Å; R131-N135 PolarHBondContact O-ND2 3.3Å; Q132-N135 PolarHBondContact O-N 3.28Å; N135-R139 WeakPolarHBondContact O-CB 3.35Å; N135-R139 VanDerWaalsContact O-CG 3.24Å; N135-R139 WeakPolarHBondContact O-CG 3.42Å; N135-R139 PolarHBondContact O-N 3.13Å
136K98.5Very high98.1Very high127 Ų12777.7 Ų77.755%0.55235%0.346SS*.Hα-helixtrans-62.1-51.8175.7-178.2178.9172.9-179.40111.4Q132 K133 Y134 A138 R139 E140Q132-K136 WeakPolarHBondContact O-CB 3.38Å; Q132-K136 PolarHBondContact O-N 3.4Å; K133-K136 PolarHBondContact O-N 2.88Å; Y134-K136 VanDerWaalsContact C-N 3.29Å; Y134-K136 PolarHBondContact O-N 3.13Å; K136-A138 PolarHBondContact O-N 2.98Å; K136-R139 PolarHBondContact O-N 2.8Å; K136-E140 WeakPolarHBondContact CE-OE1 3.18Å; K136-E140 WeakPolarHBondContact O-CG 3.23Å; K136-E140 PolarHBondContact O-N 3.37Å
137L98.4Very high97.8Very high41 Ų4183.5 Ų83.522%0.21537%0.374CS..Hα-helixtrans-63.4-41.5-179.5-69171.8000112.1Y74 K133 Y134 R139 E140 W141Y74-L137 HydrophobicContact CD1-CB 4.07Å; Y74-L137 HydrophobicContact CE1-CB 3.8Å; Y74-L137 HydrophobicContact CE1-CD1 4.21Å; Y74-L137 HydrophobicContact CE2-CB 4.46Å; Y74-L137 HydrophobicContact CE2-CD1 4.44Å; Y74-L137 HydrophobicContact CG-CB 4.5Å; Y74-L137 WeakPolarHBondContact OH-CD1 3.47Å; K133-L137 HydrophobicContact CG-CD1 4.01Å; K133-L137 HydrophobicContact CG-CG 4.48Å; K133-L137 WeakPolarHBondContact O-CG 3.41Å; K133-L137 PolarHBondContact O-N 2.92Å; Y134-L137 PolarHBondContact O-N 2.74Å; L137-R139 PolarHBondContact O-N 2.86Å; L137-E140 PolarHBondContact O-N 2.71Å; L137-W141 VanDerWaalsContact O-CD1 3.28Å; L137-W141 PolarHBondContact O-N 2.96Å
138A98.5Very high97.8Very high0 Ų086.5 Ų86.50%039%0.388CS..Hα-helixtrans-63.3-39176.700000112.4P44 Y45 Y74 Y134 K136 W141 T142P44-A138 HydrophobicContact CB-CB 3.59Å; P44-A138 HydrophobicContact CG-CB 3.6Å; Y45-A138 HydrophobicContact CE1-CB 3.98Å; Y74-A138 HydrophobicContact CD1-CB 4.15Å; Y134-A138 WeakPolarHBondContact O-CB 3.5Å; Y134-A138 PolarHBondContact O-N 2.69Å; K136-A138 PolarHBondContact O-N 2.98Å; A138-W141 PolarHBondContact O-N 3.19Å; A138-T142 WeakPolarHBondContact O-CB 3.39Å; A138-T142 PolarHBondContact O-N 2.88Å; A138-T142 PolarHBondContact O-OG1 3.46Å
139R98.5Very high97.9Very high137 Ų13785.6 Ų85.652%0.51739%0.385SS..Hα-helixtrans-65.7-43.7173-73.8172-170.31521.3112.5P44 N135 K136 L137 W141 T142 Q143P44-R139 HydrophobicContact CB-CG 3.81Å; P44-R139 WeakPolarHBondContact O-CA 3.5Å; P44-R139 WeakPolarHBondContact O-CG 3.47Å; N135-R139 WeakPolarHBondContact O-CB 3.35Å; N135-R139 VanDerWaalsContact O-CG 3.24Å; N135-R139 WeakPolarHBondContact O-CG 3.42Å; N135-R139 PolarHBondContact O-N 3.13Å; K136-R139 PolarHBondContact O-N 2.8Å; L137-R139 PolarHBondContact O-N 2.86Å; R139-W141 VanDerWaalsContact C-N 3.3Å; R139-W141 PolarHBondContact O-N 3.05Å; R139-T142 WeakPolarHBondContact O-CB 3.4Å; R139-T142 PolarHBondContact O-N 3.22Å; R139-Q143 WeakPolarHBondContact O-CG 3.08Å; R139-Q143 PolarHBondContact O-N 2.8Å
140E98.4Very high97.9Very high85 Ų8585.1 Ų85.140%0.39737%0.374SS..Hα-helixtrans-60.4-41.2176.8-73.4172.2-174.200111.5K136 L137 R144K136-E140 WeakPolarHBondContact CE-OE1 3.18Å; K136-E140 WeakPolarHBondContact O-CG 3.23Å; K136-E140 PolarHBondContact O-N 3.37Å; L137-E140 PolarHBondContact O-N 2.71Å; E140-R144 WeakPolarHBondContact O-CB 3.46Å; E140-R144 PolarHBondContact O-N 3.34Å
141W98.5Very high97.9Very high81 Ų8186.2 Ų86.231%0.30738%0.375SS..Hα-helixtrans-67.2-41.5174.7-86.558.6000112.5K72 I73 Y74 L137 A138 R139 Q143 R144 Y145K72-W141 HydrophobicContact CB-CE3 4.3Å; K72-W141 HydrophobicContact CB-CZ3 4.07Å; I73-W141 VanDerWaalsContact C-CE3 3.47Å; Y74-W141 HydrophobicContact CD2-CD2 4.26Å; Y74-W141 AromaticContact CD2-CE2 3.92Å; Y74-W141 HydrophobicContact CD2-CZ2 4.24Å; Y74-W141 AromaticContact CD2-NE1 3.98Å; Y74-W141 HydrophobicContact CG-CD2 4.47Å; Y74-W141 HydrophobicContact CG-CG 4.43Å; L137-W141 VanDerWaalsContact O-CD1 3.28Å; L137-W141 PolarHBondContact O-N 2.96Å; A138-W141 PolarHBondContact O-N 3.19Å; R139-W141 VanDerWaalsContact C-N 3.3Å; R139-W141 PolarHBondContact O-N 3.05Å; W141-Q143 VanDerWaalsContact C-N 3.33Å; W141-Q143 PolarHBondContact O-N 2.94Å; W141-R144 PolarHBondContact O-N 3.38Å; W141-Y145 HydrophobicContact CB-CD2 4.2Å; W141-Y145 HydrophobicContact CB-CE2 4.49Å; W141-Y145 HydrophobicContact CD2-CD2 4.03Å; W141-Y145 AromaticContact CD2-CE2 3.68Å; W141-Y145 HydrophobicContact CD2-CE2 3.68Å; W141-Y145 AromaticContact CE3-CD2 3.8Å; W141-Y145 HydrophobicContact CE3-CD2 3.8Å; W141-Y145 AromaticContact CE3-CE2 3.7Å; W141-Y145 HydrophobicContact CE3-CE2 3.7Å; W141-Y145 HydrophobicContact CG-CD2 4.23Å; W141-Y145 HydrophobicContact CG-CE2 4.05Å; W141-Y145 HydrophobicContact CZ3-CE2 4.25Å; W141-Y145 VanDerWaalsContact O-CD2 3.29Å; W141-Y145 WeakPolarHBondContact O-CD2 3.44Å; W141-Y145 PolarHBondContact O-N 3.11Å
142T98.5Very high97.9Very high4 Ų484.6 Ų84.63%0.02537%0.372CS..Hα-helixtrans-59.3-47176-58.40000110.4P44 Y45 F50 A138 R139 R144 A146 M147P44-T142 PolarHBondContact O-OG1 3.22Å; Y45-T142 WeakPolarHBondContact O-CG2 3.42Å; F50-T142 HydrophobicContact CZ-CG2 4.14Å; A138-T142 WeakPolarHBondContact O-CB 3.39Å; A138-T142 PolarHBondContact O-N 2.88Å; A138-T142 PolarHBondContact O-OG1 3.46Å; R139-T142 WeakPolarHBondContact O-CB 3.4Å; R139-T142 PolarHBondContact O-N 3.22Å; T142-R144 VanDerWaalsContact C-N 3.28Å; T142-R144 PolarHBondContact O-N 2.89Å; T142-A146 HydrophobicContact CG2-CB 4.3Å; T142-A146 CarbonylContact O-C 3.5Å; T142-A146 WeakPolarHBondContact O-CA 3.39Å; T142-A146 WeakPolarHBondContact O-CB 3.43Å; T142-A146 PolarHBondContact O-N 2.83Å; T142-M147 HydrophobicContact CG2-CE 4.48Å; T142-M147 PolarHBondContact O-N 2.69Å
143Q98.2Very high97.9Very high128 Ų12879.3 Ų79.360%0.59835%0.346SS*.Hα-helixtrans-59-37.3174.9-76.7174.33.100113.6R139 W141 M147R139-Q143 WeakPolarHBondContact O-CG 3.08Å; R139-Q143 PolarHBondContact O-N 2.8Å; W141-Q143 VanDerWaalsContact C-N 3.33Å; W141-Q143 PolarHBondContact O-N 2.94Å; Q143-M147 VanDerWaalsContact CA-CE 3.45Å; Q143-M147 HydrophobicContact CB-CE 3.86Å; Q143-M147 HydrophobicContact CG-CE 3.17Å
144R98.1Very high97.8Very high190 Ų19077.2 Ų77.272%0.71734%0.337SS*.Hα-helixtrans-83-32.1-173.8-173.8172.4178.1179.20.8113.9E140 W141 T142E140-R144 WeakPolarHBondContact O-CB 3.46Å; E140-R144 PolarHBondContact O-N 3.34Å; W141-R144 PolarHBondContact O-N 3.38Å; T142-R144 VanDerWaalsContact C-N 3.28Å; T142-R144 PolarHBondContact O-N 2.89Å
145Y98Very high97.8Very high73 Ų7382.8 Ų82.829%0.28636%0.362SS..Hα-helixtrans-123.7-17.3-166.6-56.7-62000114.5T71 K72 W141T71-Y145 VanDerWaalsContact CG2-O 3.28Å; T71-Y145 WeakPolarHBondContact CG2-O 3.14Å; K72-Y145 HydrophobicContact CB-CD1 4.32Å; K72-Y145 HydrophobicContact CB-CD2 3.94Å; K72-Y145 HydrophobicContact CB-CE2 4.45Å; K72-Y145 HydrophobicContact CB-CG 3.87Å; K72-Y145 HydrophobicContact CD-CD1 4.15Å; K72-Y145 HydrophobicContact CD-CE1 3.99Å; K72-Y145 HydrophobicContact CD-CG 4.49Å; W141-Y145 HydrophobicContact CB-CD2 4.2Å; W141-Y145 HydrophobicContact CB-CE2 4.49Å; W141-Y145 HydrophobicContact CD2-CD2 4.03Å; W141-Y145 AromaticContact CD2-CE2 3.68Å; W141-Y145 HydrophobicContact CD2-CE2 3.68Å; W141-Y145 AromaticContact CE3-CD2 3.8Å; W141-Y145 HydrophobicContact CE3-CD2 3.8Å; W141-Y145 AromaticContact CE3-CE2 3.7Å; W141-Y145 HydrophobicContact CE3-CE2 3.7Å; W141-Y145 HydrophobicContact CG-CD2 4.23Å; W141-Y145 HydrophobicContact CG-CE2 4.05Å; W141-Y145 HydrophobicContact CZ3-CE2 4.25Å; W141-Y145 VanDerWaalsContact O-CD2 3.29Å; W141-Y145 WeakPolarHBondContact O-CD2 3.44Å; W141-Y145 PolarHBondContact O-N 3.11Å
146A97.1Very high97.8Very high9 Ų986.1 Ų86.17%0.07437%0.372CS..THydrogen-bonded Turntrans-124.6-1.2-171.300000113.8G48 V49 F50 T71 T142G48-A146 CarbonylContact C-O 3.5Å; G48-A146 WeakPolarHBondContact CA-O 3.42Å; V49-A146 PolarHBondContact N-O 3.49Å; F50-A146 HydrophobicContact CD1-CB 3.98Å; F50-A146 HydrophobicContact CE1-CB 3.56Å; F50-A146 HydrophobicContact CE2-CB 4.25Å; F50-A146 HydrophobicContact CG-CB 4.5Å; F50-A146 HydrophobicContact CZ-CB 3.7Å; T71-A146 HydrophobicContact CG2-CB 3.95Å; T142-A146 HydrophobicContact CG2-CB 4.3Å; T142-A146 CarbonylContact O-C 3.5Å; T142-A146 WeakPolarHBondContact O-CA 3.39Å; T142-A146 WeakPolarHBondContact O-CB 3.43Å; T142-A146 PolarHBondContact O-N 2.83Å
147M92.3Very high97.7Very high158 Ų15882.4 Ų82.478%0.77836%0.356SS*.  trans-109.80174-73-160.1-89.200112.1T142 Q143T142-M147 HydrophobicContact CG2-CE 4.48Å; T142-M147 PolarHBondContact O-N 2.69Å; Q143-M147 VanDerWaalsContact CA-CE 3.45Å; Q143-M147 HydrophobicContact CB-CE 3.86Å; Q143-M147 HydrophobicContact CG-CE 3.17Å

Retrieved 147 of 147 residues in 399 ms (Link to these results)

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