A0A087XHD9_POEFO Loading...

Leucine rich repeat containing 20

AlphaFold DB (A0A3B3TIQ5), UniProt , Accession A0A087XHD9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 173 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
1M58.5Low80.4Confident195 Ų19585.7 Ų85.796%0.96147%0.468SS*.  0-51.50-159.1175.3-75.100111.5E3 A4 V5M1-E3 PolarHBondContact O-N 2.8Å; M1-A4 PolarHBondContact O-N 3.14Å; M1-V5 WeakPolarHBondContact O-CG2 3.16Å; M1-V5 PolarHBondContact O-N 3.49Å
2A67.8Low81.2Confident85 Ų8578.8 Ų78.870%0.70243%0.43SS*.Hα-helixtrans-58.4-42.5178.300000114.1V5 A6A2-V5 PolarHBondContact O-N 3.09Å; A2-A6 WeakPolarHBondContact O-CB 3.4Å; A2-A6 PolarHBondContact O-N 2.85Å
3E74.4Confident81.8Confident169 Ų16978.5 Ų78.579%0.7943%0.428SS*.Hα-helixtrans-68.2-40.1-179.3-169173.3-172.100113.2M1 A6 N7M1-E3 PolarHBondContact O-N 2.8Å; E3-A6 PolarHBondContact O-N 2.81Å; E3-N7 WeakPolarHBondContact O-CB 3.49Å; E3-N7 PolarHBondContact O-N 2.82Å
4A75.1Confident82.4Confident23 Ų2374.9 Ų74.919%0.1941%0.414CS..Hα-helixtrans-61-45.8174.400000111.5M1 N7 V8 C28M1-A4 PolarHBondContact O-N 3.14Å; A4-N7 PolarHBondContact O-N 3.03Å; A4-V8 WeakPolarHBondContact O-CG2 3.05Å; A4-V8 PolarHBondContact O-N 2.86Å; A4-C28 VanDerWaalsContact CB-O 3.31Å; A4-C28 WeakPolarHBondContact CB-O 3.49Å
5V78.8Confident82.9Confident90 Ų9070.5 Ų70.555%0.54539%0.39SS..Hα-helixtrans-64.5-42.3178.2174.60000111.3M1 A2 V8 A9M1-V5 WeakPolarHBondContact O-CG2 3.16Å; M1-V5 PolarHBondContact O-N 3.49Å; A2-V5 PolarHBondContact O-N 3.09Å; V5-V8 PolarHBondContact O-N 3.05Å; V5-A9 WeakPolarHBondContact O-CB 3.34Å; V5-A9 PolarHBondContact O-N 3Å
6A83Confident83.2Confident61 Ų6168.8 Ų68.850%0.50438%0.382SS..Hα-helixtrans-64.3-41.4177.100000112.1A2 E3 A9 R10A2-A6 WeakPolarHBondContact O-CB 3.4Å; A2-A6 PolarHBondContact O-N 2.85Å; E3-A6 PolarHBondContact O-N 2.81Å; A6-A9 PolarHBondContact O-N 3.48Å; A6-R10 WeakPolarHBondContact O-CB 3.44Å; A6-R10 PolarHBondContact O-N 3.11Å
7N87.4Confident83.5Confident43 Ų4374.4 Ų74.423%0.2340%0.404CS..Hα-helixtrans-63.4-46176.9-173.627.1000111.4E3 A4 R10 R11E3-N7 WeakPolarHBondContact O-CB 3.49Å; E3-N7 PolarHBondContact O-N 2.82Å; A4-N7 PolarHBondContact O-N 3.03Å; N7-R10 PolarHBondContact O-N 3.28Å; N7-R11 WeakPolarHBondContact O-CG 3.5Å; N7-R11 PolarHBondContact O-N 3.39Å
8V89.7Confident83.8Confident2 Ų276.8 Ų76.81%0.01241%0.413CS..Hα-helixtrans-59.8-48.7176.21700000111.1A4 V5 R10 R11 I12 L25 C28 L30 P34 V37A4-V8 WeakPolarHBondContact O-CG2 3.05Å; A4-V8 PolarHBondContact O-N 2.86Å; V5-V8 PolarHBondContact O-N 3.05Å; V8-R10 VanDerWaalsContact C-N 3.28Å; V8-R10 PolarHBondContact O-N 3.27Å; V8-R11 PolarHBondContact O-N 3.39Å; V8-I12 HydrophobicContact CG1-CD1 3.67Å; V8-I12 HydrophobicContact CG1-CG1 4.39Å; V8-I12 WeakPolarHBondContact O-CG1 3.48Å; V8-I12 PolarHBondContact O-N 2.95Å; V8-L25 HydrophobicContact CB-CD2 4.3Å; V8-L25 HydrophobicContact CG1-CD1 4.29Å; V8-L25 HydrophobicContact CG1-CD2 3.87Å; V8-L25 HydrophobicContact CG2-CD2 4.32Å; V8-C28 HydrophobicContact CG2-CB 3.88Å; V8-L30 HydrophobicContact CG2-CD1 4.3Å; V8-L30 HydrophobicContact CG2-CD2 3.88Å; V8-L30 HydrophobicContact CG2-CG 4.32Å; V8-P34 HydrophobicContact CG1-CG 3.83Å; V8-V37 HydrophobicContact CG1-CG1 4.2Å
9A88Confident83.9Confident39 Ų3975.5 Ų75.532%0.32242%0.419SS..Hα-helixtrans-58.1-41.9178.300000111.6V5 A6 I12 N13V5-A9 WeakPolarHBondContact O-CB 3.34Å; V5-A9 PolarHBondContact O-N 3Å; A6-A9 PolarHBondContact O-N 3.48Å; A9-I12 PolarHBondContact O-N 3.26Å; A9-N13 WeakPolarHBondContact O-CB 3.46Å; A9-N13 PolarHBondContact O-N 3.4Å; A9-N13 PolarHBondContact O-OD1 2.69Å
10R89.8Confident84.3Confident176 Ų17675.5 Ų75.566%0.66442%0.415SS*.Hα-helixtrans-62-46176.9-170.7-179.171.4149.72.4112.3A6 N7 V8 N13 A14A6-R10 WeakPolarHBondContact O-CB 3.44Å; A6-R10 PolarHBondContact O-N 3.11Å; N7-R10 PolarHBondContact O-N 3.28Å; V8-R10 VanDerWaalsContact C-N 3.28Å; V8-R10 PolarHBondContact O-N 3.27Å; R10-N13 PolarHBondContact O-N 3.31Å; R10-A14 WeakPolarHBondContact O-CB 3.35Å; R10-A14 PolarHBondContact O-N 3.29Å
11R91.9Very high84.7Confident60 Ų6075.3 Ų75.323%0.22641%0.413CS..Hα-helixtrans-66.7-37.7-179.9-66.6-170.6-170.8-174.23.9112.3N7 V8 A14 T15 D24 L25 S26N7-R11 WeakPolarHBondContact O-CG 3.5Å; N7-R11 PolarHBondContact O-N 3.39Å; V8-R11 PolarHBondContact O-N 3.39Å; R11-A14 PolarHBondContact O-N 2.99Å; R11-T15 WeakPolarHBondContact O-CB 3.47Å; R11-T15 PolarHBondContact O-N 3.2Å; R11-T15 PolarHBondContact O-OG1 2.9Å; R11-D24 WeakPolarHBondContact CD-O 3.47Å; R11-D24 PolarHBondContact NH1-O 3.44Å; R11-D24 IonicContact NH1-OD1 3.26Å; R11-D24 PolarHBondContact NH1-OD1 3.17Å; R11-L25 HydrophobicContact CB-CD2 4.07Å; R11-S26 PolarHBondContact NH1-O 3.21Å; R11-S26 PolarHBondContact NH2-O 2.91Å
12I90.1Very high86.5Confident2 Ų268 Ų681%0.0138%0.382CS..Hα-helixtrans-65.4-47.4174.8-69.7174.2000110.6V8 A9 A14 T15 V16 L23 L25 V37 V40 L41V8-I12 HydrophobicContact CG1-CD1 3.67Å; V8-I12 HydrophobicContact CG1-CG1 4.39Å; V8-I12 WeakPolarHBondContact O-CG1 3.48Å; V8-I12 PolarHBondContact O-N 2.95Å; A9-I12 PolarHBondContact O-N 3.26Å; I12-A14 VanDerWaalsContact C-N 3.31Å; I12-A14 PolarHBondContact O-N 3.27Å; I12-T15 WeakPolarHBondContact O-CB 3.49Å; I12-T15 PolarHBondContact O-N 3.42Å; I12-T15 VanDerWaalsContact O-N 3.14Å; I12-V16 HydrophobicContact CG2-CG2 4.42Å; I12-V16 VanDerWaalsContact O-CG2 3.31Å; I12-V16 WeakPolarHBondContact O-CG2 3.33Å; I12-V16 PolarHBondContact O-N 2.89Å; I12-L23 HydrophobicContact CG1-CD1 3.83Å; I12-L25 HydrophobicContact CG1-CD2 4.21Å; I12-V37 HydrophobicContact CD1-CB 3.43Å; I12-V37 VanDerWaalsContact CD1-CB 3.43Å; I12-V37 HydrophobicContact CD1-CG1 3.54Å; I12-V37 HydrophobicContact CD1-CG2 3.59Å; I12-V40 HydrophobicContact CG2-CB 4.32Å; I12-V40 HydrophobicContact CG2-CG1 3.86Å; I12-L41 HydrophobicContact CD1-CD1 4.3Å; I12-L41 HydrophobicContact CG1-CD2 4.43Å; I12-L41 HydrophobicContact CG2-CD2 3.75Å; I12-L41 HydrophobicContact CG2-CG 4.03Å
13N89.1Confident87.8Confident75 Ų7564 Ų6440%0.40135%0.348SS..Hα-helixtrans-60.1-43.1177.5-70.8-8.8000111.3A9 R10 T15 V16 E17A9-N13 WeakPolarHBondContact O-CB 3.46Å; A9-N13 PolarHBondContact O-N 3.4Å; A9-N13 PolarHBondContact O-OD1 2.69Å; R10-N13 PolarHBondContact O-N 3.31Å; N13-T15 VanDerWaalsContact C-N 3.34Å; N13-T15 PolarHBondContact O-N 3.14Å; N13-V16 PolarHBondContact O-N 3.29Å; N13-V16 VanDerWaalsContact O-N 3.16Å; N13-E17 WeakPolarHBondContact O-CB 3.37Å; N13-E17 WeakPolarHBondContact O-CG 3.16Å; N13-E17 PolarHBondContact O-N 3.03Å
14A89.6Confident88.8Confident29 Ų2959.4 Ų59.424%0.2433%0.329CS..Hα-helixtrans-60.5-42.4174.700000112.3R10 R11 I12 V16 E17 E18R10-A14 WeakPolarHBondContact O-CB 3.35Å; R10-A14 PolarHBondContact O-N 3.29Å; R11-A14 PolarHBondContact O-N 2.99Å; I12-A14 VanDerWaalsContact C-N 3.31Å; I12-A14 PolarHBondContact O-N 3.27Å; A14-V16 VanDerWaalsContact C-N 3.28Å; A14-V16 PolarHBondContact O-N 3.07Å; A14-E17 PolarHBondContact O-N 3.16Å; A14-E18 VanDerWaalsContact O-CB 3.24Å; A14-E18 WeakPolarHBondContact O-CB 3.19Å; A14-E18 VanDerWaalsContact O-CG 3.28Å; A14-E18 WeakPolarHBondContact O-CG 3.42Å; A14-E18 PolarHBondContact O-N 2.88Å
15T89.9Confident89.8Confident8 Ų858.3 Ų58.35%0.04932%0.32CS..Hα-helixtrans-59-42175-55.90000111.2R11 I12 N13 G19 K20 S22 L23 I48R11-T15 WeakPolarHBondContact O-CB 3.47Å; R11-T15 PolarHBondContact O-N 3.2Å; R11-T15 PolarHBondContact O-OG1 2.9Å; I12-T15 WeakPolarHBondContact O-CB 3.49Å; I12-T15 PolarHBondContact O-N 3.42Å; I12-T15 VanDerWaalsContact O-N 3.14Å; N13-T15 VanDerWaalsContact C-N 3.34Å; N13-T15 PolarHBondContact O-N 3.14Å; T15-G19 PolarHBondContact O-N 3.06Å; T15-G19 VanDerWaalsContact O-N 3.11Å; T15-K20 HydrophobicContact CG2-CB 4.02Å; T15-K20 PolarHBondContact O-N 2.78Å; T15-S22 WeakPolarHBondContact CG2-O 3.45Å; T15-L23 HydrophobicContact CG2-CB 4.49Å; T15-L23 HydrophobicContact CG2-CD1 4.48Å; T15-I48 HydrophobicContact CG2-CD1 4.47Å
16V87.6Confident90.6Very high44 Ų4455.4 Ų55.427%0.26730%0.304SS..Hα-helixtrans-70.1-47.7179.4174.10000112I12 N13 A14 G19 V40 V44I12-V16 HydrophobicContact CG2-CG2 4.42Å; I12-V16 VanDerWaalsContact O-CG2 3.31Å; I12-V16 WeakPolarHBondContact O-CG2 3.33Å; I12-V16 PolarHBondContact O-N 2.89Å; N13-V16 PolarHBondContact O-N 3.29Å; N13-V16 VanDerWaalsContact O-N 3.16Å; A14-V16 VanDerWaalsContact C-N 3.28Å; A14-V16 PolarHBondContact O-N 3.07Å; V16-G19 PolarHBondContact O-N 3.05Å; V16-V40 HydrophobicContact CG2-CG1 4.44Å; V16-V44 HydrophobicContact CB-CG1 4.25Å; V16-V44 HydrophobicContact CG1-CG1 4.06Å; V16-V44 HydrophobicContact CG2-CB 4.48Å; V16-V44 HydrophobicContact CG2-CG1 3.96Å; V16-V44 HydrophobicContact CG2-CG2 3.68Å
17E88.9Confident91.1Very high163 Ų16357.1 Ų57.176%0.76230%0.304SS*.Hα-helixtrans-65.5-39.1-178.6-74.2175.2-174.500112N13 A14 G19N13-E17 WeakPolarHBondContact O-CB 3.37Å; N13-E17 WeakPolarHBondContact O-CG 3.16Å; N13-E17 PolarHBondContact O-N 3.03Å; A14-E17 PolarHBondContact O-N 3.16Å; E17-G19 VanDerWaalsContact C-N 3.32Å
18E89.1Confident91.4Very high118 Ų11855.2 Ų55.255%0.55129%0.294SS*.THydrogen-bonded Turntrans-84.5-7.2179.3-62.5178.3-114.500112.8A14 K20A14-E18 VanDerWaalsContact O-CB 3.24Å; A14-E18 WeakPolarHBondContact O-CB 3.19Å; A14-E18 VanDerWaalsContact O-CG 3.28Å; A14-E18 WeakPolarHBondContact O-CG 3.42Å; A14-E18 PolarHBondContact O-N 2.88Å; E18-K20 VanDerWaalsContact C-N 3.27Å; E18-K20 HydrophobicContact CB-CD 4.26Å; E18-K20 HydrophobicContact CB-CG 3.99Å; E18-K20 VanDerWaalsContact CD-CE 3.47Å; E18-K20 PolarHBondContact O-N 2.82Å; E18-K20 IonicContact OE1-NZ 3.05Å; E18-K20 PolarHBondContact OE1-NZ 3.33Å; E18-K20 WeakPolarHBondContact OE2-CE 3.37Å; E18-K20 IonicContact OE2-NZ 2.9Å; E18-K20 PolarHBondContact OE2-NZ 3.24Å
19G85.8Confident91.5Very high52 Ų5259.5 Ų59.554%0.53631%0.314SS..THydrogen-bonded Turntrans62.133.3-179.600000113.6T15 V16 E17T15-G19 PolarHBondContact O-N 3.06Å; T15-G19 VanDerWaalsContact O-N 3.11Å; V16-G19 PolarHBondContact O-N 3.05Å; E17-G19 VanDerWaalsContact C-N 3.32Å
20K90.8Very high91.7Very high76 Ų7658.3 Ų58.333%0.3330%0.302SS..  trans-70.2149.1-177.7-73174.2176.4156.40111.6T15 E18T15-K20 HydrophobicContact CG2-CB 4.02Å; T15-K20 PolarHBondContact O-N 2.78Å; E18-K20 VanDerWaalsContact C-N 3.27Å; E18-K20 HydrophobicContact CB-CD 4.26Å; E18-K20 HydrophobicContact CB-CG 3.99Å; E18-K20 VanDerWaalsContact CD-CE 3.47Å; E18-K20 PolarHBondContact O-N 2.82Å; E18-K20 IonicContact OE1-NZ 3.05Å; E18-K20 PolarHBondContact OE1-NZ 3.33Å; E18-K20 WeakPolarHBondContact OE2-CE 3.37Å; E18-K20 IonicContact OE2-NZ 2.9Å; E18-K20 PolarHBondContact OE2-NZ 3.24Å
21D93.8Very high91.8Very high71 Ų7155.3 Ų55.338%0.3830%0.298SS..SBendtrans-90.6-2.4168.665.9-13.5000112.8N47 I48 R49 I50D21-N47 WeakPolarHBondContact CA-O 3.24Å; D21-N47 WeakPolarHBondContact CB-O 3.34Å; D21-I48 CarbonylContact O-C 3.25Å; D21-I48 WeakPolarHBondContact O-CA 3.5Å; D21-R49 HydrophobicContact CB-CB 4.45Å; D21-R49 HydrophobicContact CB-CG 4.46Å; D21-R49 PolarHBondContact O-N 3.04Å; D21-I50 PolarHBondContact O-N 3.01Å; D21-I50 VanDerWaalsContact O-N 3.08Å
22S95.5Very high91.7Very high43 Ų4355.9 Ų55.930%0.30131%0.312SS..EExtended strand (participates in β ladder)trans-114.4128177.967.70000111.9T15 I50T15-S22 WeakPolarHBondContact CG2-O 3.45Å; S22-I50 CarbonylContact C-O 3.15Å; S22-I50 VanDerWaalsContact CA-O 3.3Å; S22-I50 WeakPolarHBondContact CA-O 3.19Å
23L95.1Very high91.7Very high1 Ų156 Ų561%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-108.7111.9172173.861.5000110.3I12 T15 L25 L41 I48 I50 V51 T52 F69I12-L23 HydrophobicContact CG1-CD1 3.83Å; T15-L23 HydrophobicContact CG2-CB 4.49Å; T15-L23 HydrophobicContact CG2-CD1 4.48Å; L23-L25 HydrophobicContact CD1-CD1 4.32Å; L23-L25 HydrophobicContact CD1-CD2 4.15Å; L23-L25 HydrophobicContact CD1-CG 3.96Å; L23-L25 HydrophobicContact CD2-CD1 4.11Å; L23-L25 HydrophobicContact CD2-CG 4.49Å; L23-L25 HydrophobicContact CG-CD1 4.22Å; L23-L25 HydrophobicContact CG-CG 4.05Å; L23-L41 HydrophobicContact CD2-CD1 4.18Å; L23-L41 HydrophobicContact CD2-CD2 4.06Å; L23-I48 HydrophobicContact CB-CD1 4.2Å; L23-I48 HydrophobicContact CB-CG2 4.27Å; L23-I48 HydrophobicContact CD2-CD1 4.46Å; L23-I50 PolarHBondContact N-O 3.02Å; L23-V51 HydrophobicContact CB-CG2 4.28Å; L23-V51 WeakPolarHBondContact O-CA 3.33Å; L23-T52 PolarHBondContact O-N 3.04Å; L23-F69 HydrophobicContact CD2-CE1 4.19Å; L23-F69 HydrophobicContact CD2-CZ 3.87Å
24D95.6Very high91.6Very high71 Ų7154 Ų5438%0.3830%0.303SS..EExtended strand (participates in β ladder)trans-102.8111.5177.1179.3-5.5000111.6R11 S26 T52R11-D24 WeakPolarHBondContact CD-O 3.47Å; R11-D24 PolarHBondContact NH1-O 3.44Å; R11-D24 IonicContact NH1-OD1 3.26Å; R11-D24 PolarHBondContact NH1-OD1 3.17Å; D24-S26 VanDerWaalsContact OD1-CB 3.24Å; D24-S26 WeakPolarHBondContact OD1-CB 3.5Å; D24-S26 PolarHBondContact OD1-N 3.29Å; D24-S26 PolarHBondContact OD1-OG 3.42Å; D24-T52 HydrophobicContact CB-CG2 3.73Å; D24-T52 WeakPolarHBondContact OD1-CG2 3.47Å
25L95.3Very high91.3Very high0 Ų056.4 Ų56.40%031%0.312CS..  trans-12126.7173.8-62.8-179.4000111.6V8 R11 I12 L23 C28 L30 F33 T52 L53 N56V8-L25 HydrophobicContact CB-CD2 4.3Å; V8-L25 HydrophobicContact CG1-CD1 4.29Å; V8-L25 HydrophobicContact CG1-CD2 3.87Å; V8-L25 HydrophobicContact CG2-CD2 4.32Å; R11-L25 HydrophobicContact CB-CD2 4.07Å; I12-L25 HydrophobicContact CG1-CD2 4.21Å; L23-L25 HydrophobicContact CD1-CD1 4.32Å; L23-L25 HydrophobicContact CD1-CD2 4.15Å; L23-L25 HydrophobicContact CD1-CG 3.96Å; L23-L25 HydrophobicContact CD2-CD1 4.11Å; L23-L25 HydrophobicContact CD2-CG 4.49Å; L23-L25 HydrophobicContact CG-CD1 4.22Å; L23-L25 HydrophobicContact CG-CG 4.05Å; L25-C28 PolarHBondContact O-SG 3.11Å; L25-L30 HydrophobicContact CB-CD1 4.3Å; L25-F33 HydrophobicContact CD1-CE2 3.96Å; L25-T52 CarbonylContact C-O 3.59Å; L25-T52 WeakPolarHBondContact CA-O 3.39Å; L25-T52 PolarHBondContact N-O 3.17Å; L25-L53 HydrophobicContact CB-CD2 3.73Å; L25-L53 HydrophobicContact CD1-CD2 4.08Å; L25-N56 PolarHBondContact O-ND2 3.02Å
26S95.9Very high91Very high29 Ų2959.2 Ų59.220%0.20334%0.343CS..THydrogen-bonded Turntrans-66.1145177.664.60000112.4R11 D24 C28 A54R11-S26 PolarHBondContact NH1-O 3.21Å; R11-S26 PolarHBondContact NH2-O 2.91Å; D24-S26 VanDerWaalsContact OD1-CB 3.24Å; D24-S26 WeakPolarHBondContact OD1-CB 3.5Å; D24-S26 PolarHBondContact OD1-N 3.29Å; D24-S26 PolarHBondContact OD1-OG 3.42Å; S26-C28 PolarHBondContact O-N 2.72Å; S26-A54 CarbonylContact C-O 3.11Å; S26-A54 WeakPolarHBondContact CA-O 3.03Å
27N94.8Very high90.9Very high97 Ų9758.1 Ų58.152%0.51934%0.336SS..THydrogen-bonded Turntrans52.440.2177.1-164.414.5000113.9Q29 A54 D55N27-Q29 PolarHBondContact OD1-NE2 3.38Å; N27-A54 PolarHBondContact N-O 3.22Å; N27-D55 WeakPolarHBondContact CA-O 3.47Å; N27-D55 HydrophobicContact CB-CB 4.38Å
28C93.2Very high90.8Very high3 Ų350.9 Ų50.92%0.0230%0.302CS..SBendtrans-95.73.9177.3-75.10000113.1A4 V8 L25 S26 L30 N56A4-C28 VanDerWaalsContact CB-O 3.31Å; A4-C28 WeakPolarHBondContact CB-O 3.49Å; V8-C28 HydrophobicContact CG2-CB 3.88Å; L25-C28 PolarHBondContact O-SG 3.11Å; S26-C28 PolarHBondContact O-N 2.72Å; C28-L30 HydrophobicContact CB-CD1 4.06Å; C28-L30 HydrophobicContact CB-CG 3.81Å; C28-L30 PolarHBondContact O-N 3.46Å; C28-N56 VanDerWaalsContact C-OD1 3.32Å; C28-N56 WeakPolarHBondContact CA-OD1 3.45Å; C28-N56 PolarHBondContact N-OD1 3.41Å
29Q92.3Very high90.6Very high93 Ų9354.3 Ų54.344%0.43532%0.315SS..  trans57.730.6-175.8-55-66.3-4900112.8N27 N56N27-Q29 PolarHBondContact OD1-NE2 3.38Å; Q29-N56 PolarHBondContact N-OD1 2.86Å
30L91Very high90.6Very high14 Ų1454.8 Ų54.87%0.07331%0.307CS..  trans-69.6134.2-179.3-70.3171.3000111.3V8 L25 C28 P34 L53 N56 K57 M58V8-L30 HydrophobicContact CG2-CD1 4.3Å; V8-L30 HydrophobicContact CG2-CD2 3.88Å; V8-L30 HydrophobicContact CG2-CG 4.32Å; L25-L30 HydrophobicContact CB-CD1 4.3Å; C28-L30 HydrophobicContact CB-CD1 4.06Å; C28-L30 HydrophobicContact CB-CG 3.81Å; C28-L30 PolarHBondContact O-N 3.46Å; L30-P34 HydrophobicContact CD2-CG 4.26Å; L30-L53 HydrophobicContact CD1-CD2 3.98Å; L30-N56 HydrophobicContact CB-CB 4.07Å; L30-N56 WeakPolarHBondContact CB-OD1 3.4Å; L30-N56 PolarHBondContact N-OD1 3.15Å; L30-K57 CarbonylContact O-C 3.57Å; L30-K57 VanDerWaalsContact O-CA 3.24Å; L30-K57 WeakPolarHBondContact O-CA 3.32Å; L30-K57 PolarHBondContact O-N 2.72Å; L30-M58 HydrophobicContact CB-CG 4.06Å; L30-M58 HydrophobicContact CB-SD 4.29Å; L30-M58 WeakPolarHBondContact O-CG 3.41Å; L30-M58 PolarHBondContact O-N 3.15Å
31I91.6Very high90.3Very high112 Ų11251.2 Ų51.257%0.57429%0.292SS*.SBendtrans-96.2-26172.5-56.8170.1000110.7M58I31-M58 WeakPolarHBondContact O-CA 3.32Å
32S90.8Very high89.8Confident73 Ų7357.6 Ų57.651%0.5131%0.31SS..SBendtrans-149.4161.7174.564.30000109
33F90.3Very high89.1Confident5 Ų560.8 Ų60.82%0.02233%0.328CS..  trans-64.5133.5169.7-165.7-94.7000108.9L25 D35 V37 F38 L41 L53 M58 F65 F69L25-F33 HydrophobicContact CD1-CE2 3.96Å; F33-D35 PolarHBondContact O-N 3.21Å; F33-D35 VanDerWaalsContact O-N 3.11Å; F33-V37 HydrophobicContact CE1-CG2 3.69Å; F33-V37 HydrophobicContact CZ-CG2 3.94Å; F33-F38 AromaticContact CD1-CE1 3.87Å; F33-F38 HydrophobicContact CD1-CE1 3.87Å; F33-F38 AromaticContact CD1-CE2 3.99Å; F33-F38 HydrophobicContact CD1-CE2 3.99Å; F33-F38 AromaticContact CD1-CZ 3.46Å; F33-F38 HydrophobicContact CD1-CZ 3.46Å; F33-F38 VanDerWaalsContact CD1-CZ 3.46Å; F33-F38 AromaticContact CE1-CD1 3.94Å; F33-F38 HydrophobicContact CE1-CD1 3.94Å; F33-F38 AromaticContact CE1-CE1 3.35Å; F33-F38 HydrophobicContact CE1-CE1 3.35Å; F33-F38 HydrophobicContact CE1-CE2 4.16Å; F33-F38 AromaticContact CE1-CZ 3.48Å; F33-F38 HydrophobicContact CE1-CZ 3.48Å; F33-F38 VanDerWaalsContact CE1-CZ 3.48Å; F33-F38 HydrophobicContact CZ-CE1 4.24Å; F33-L41 HydrophobicContact CZ-CD1 4.12Å; F33-L53 HydrophobicContact CD2-CD1 4.09Å; F33-L53 HydrophobicContact CD2-CD2 3.95Å; F33-L53 HydrophobicContact CE2-CD1 4.49Å; F33-L53 HydrophobicContact CE2-CD2 4.18Å; F33-M58 HydrophobicContact CB-CE 4.06Å; F33-F65 HydrophobicContact CD1-CD2 4.29Å; F33-F65 AromaticContact CD2-CD2 3.81Å; F33-F65 HydrophobicContact CD2-CD2 3.81Å; F33-F65 AromaticContact CD2-CE2 3.91Å; F33-F65 HydrophobicContact CD2-CE2 3.91Å; F33-F65 HydrophobicContact CE1-CD2 4.29Å; F33-F65 AromaticContact CE2-CD2 3.8Å; F33-F65 HydrophobicContact CE2-CD2 3.8Å; F33-F65 AromaticContact CE2-CE2 3.65Å; F33-F65 HydrophobicContact CE2-CE2 3.65Å; F33-F65 HydrophobicContact CG-CD2 4.05Å; F33-F65 HydrophobicContact CZ-CD2 4.04Å; F33-F65 HydrophobicContact CZ-CE2 4.15Å; F33-F69 AromaticContact CZ-CE2 3.99Å; F33-F69 HydrophobicContact CZ-CE2 3.99Å; F33-F69 HydrophobicContact CZ-CZ 4.13Å
34P87.1Confident88.7Confident31 Ų3161.4 Ų61.420%0.20133%0.332CS..  trans-8294-174.623.6-21.3000111V8 L30 G36 V37V8-P34 HydrophobicContact CG1-CG 3.83Å; L30-P34 HydrophobicContact CD2-CG 4.26Å; P34-G36 PolarHBondContact O-N 2.98Å; P34-V37 HydrophobicContact CB-CG1 4.19Å; P34-V37 HydrophobicContact CG-CG1 3.99Å; P34-V37 HydrophobicContact CG-CG2 4.11Å; P34-V37 WeakPolarHBondContact O-CG2 3.48Å; P34-V37 PolarHBondContact O-N 3.16Å
35D83.1Confident88.2Confident81 Ų8158.6 Ų58.643%0.43332%0.318SS..G310 helixtrans-52.8-24.5-175.1-74.15.3000115.5F33 V37 F38F33-D35 PolarHBondContact O-N 3.21Å; F33-D35 VanDerWaalsContact O-N 3.11Å; D35-V37 PolarHBondContact O-N 3.28Å; D35-F38 HydrophobicContact CB-CD2 4.01Å; D35-F38 HydrophobicContact CB-CE2 4.09Å; D35-F38 WeakPolarHBondContact O-CB 3.41Å; D35-F38 WeakPolarHBondContact O-CD2 3.35Å; D35-F38 PolarHBondContact O-N 3.12Å; D35-F38 VanDerWaalsContact OD1-CE2 3.29Å; D35-F38 WeakPolarHBondContact OD1-CE2 3.45Å
36G83.6Confident87.9Confident67 Ų6765.4 Ų65.469%0.69135%0.35SS*.G310 helixtrans-60.6-25.5174.200000113.7P34 F38P34-G36 PolarHBondContact O-N 2.98Å; G36-F38 VanDerWaalsContact C-N 3.33Å; G36-F38 PolarHBondContact O-N 3.36Å
37V84.7Confident87.7Confident21 Ų2168 Ų6813%0.12736%0.362CS..G310 helixtrans-78.7-16.5-178.7-54.40000113.4V8 I12 F33 P34 D35 K39 V40 L41V8-V37 HydrophobicContact CG1-CG1 4.2Å; I12-V37 HydrophobicContact CD1-CB 3.43Å; I12-V37 VanDerWaalsContact CD1-CB 3.43Å; I12-V37 HydrophobicContact CD1-CG1 3.54Å; I12-V37 HydrophobicContact CD1-CG2 3.59Å; F33-V37 HydrophobicContact CE1-CG2 3.69Å; F33-V37 HydrophobicContact CZ-CG2 3.94Å; P34-V37 HydrophobicContact CB-CG1 4.19Å; P34-V37 HydrophobicContact CG-CG1 3.99Å; P34-V37 HydrophobicContact CG-CG2 4.11Å; P34-V37 WeakPolarHBondContact O-CG2 3.48Å; P34-V37 PolarHBondContact O-N 3.16Å; D35-V37 PolarHBondContact O-N 3.28Å; V37-K39 PolarHBondContact O-N 3.32Å; V37-K39 VanDerWaalsContact O-N 3.15Å; V37-V40 PolarHBondContact O-N 2.88Å; V37-L41 HydrophobicContact CB-CD1 4.34Å; V37-L41 HydrophobicContact CG2-CD1 3.69Å; V37-L41 WeakPolarHBondContact O-CG 3.34Å; V37-L41 PolarHBondContact O-N 3.23Å
38F87.4Confident87.7Confident11 Ų1163.4 Ų63.45%0.04834%0.337CS..Hα-helixtrans-58.1-30.3176.5-71.4-52.9000112.3F33 D35 G36 V40 L41 R42 K64 F65 T68 F69F33-F38 AromaticContact CD1-CE1 3.87Å; F33-F38 HydrophobicContact CD1-CE1 3.87Å; F33-F38 AromaticContact CD1-CE2 3.99Å; F33-F38 HydrophobicContact CD1-CE2 3.99Å; F33-F38 AromaticContact CD1-CZ 3.46Å; F33-F38 HydrophobicContact CD1-CZ 3.46Å; F33-F38 VanDerWaalsContact CD1-CZ 3.46Å; F33-F38 AromaticContact CE1-CD1 3.94Å; F33-F38 HydrophobicContact CE1-CD1 3.94Å; F33-F38 AromaticContact CE1-CE1 3.35Å; F33-F38 HydrophobicContact CE1-CE1 3.35Å; F33-F38 HydrophobicContact CE1-CE2 4.16Å; F33-F38 AromaticContact CE1-CZ 3.48Å; F33-F38 HydrophobicContact CE1-CZ 3.48Å; F33-F38 VanDerWaalsContact CE1-CZ 3.48Å; F33-F38 HydrophobicContact CZ-CE1 4.24Å; D35-F38 HydrophobicContact CB-CD2 4.01Å; D35-F38 HydrophobicContact CB-CE2 4.09Å; D35-F38 WeakPolarHBondContact O-CB 3.41Å; D35-F38 WeakPolarHBondContact O-CD2 3.35Å; D35-F38 PolarHBondContact O-N 3.12Å; D35-F38 VanDerWaalsContact OD1-CE2 3.29Å; D35-F38 WeakPolarHBondContact OD1-CE2 3.45Å; G36-F38 VanDerWaalsContact C-N 3.33Å; G36-F38 PolarHBondContact O-N 3.36Å; F38-V40 VanDerWaalsContact C-N 3.31Å; F38-V40 PolarHBondContact O-N 3.41Å; F38-L41 PolarHBondContact O-N 2.94Å; F38-R42 PolarHBondContact O-N 2.64Å; F38-R42 VanDerWaalsContact O-N 3.09Å; F38-K64 HydrophobicContact CD2-CD 3.55Å; F38-K64 HydrophobicContact CD2-CG 3.93Å; F38-K64 HydrophobicContact CE2-CB 4.01Å; F38-K64 HydrophobicContact CE2-CD 3.6Å; F38-K64 HydrophobicContact CE2-CG 3.64Å; F38-K64 HydrophobicContact CG-CD 4.35Å; F38-K64 HydrophobicContact CG-CG 4.5Å; F38-K64 HydrophobicContact CZ-CB 4.21Å; F38-K64 HydrophobicContact CZ-CD 4.43Å; F38-K64 HydrophobicContact CZ-CG 3.99Å; F38-F65 HydrophobicContact CZ-CB 4.32Å; F38-T68 HydrophobicContact CD1-CG2 3.88Å; F38-T68 WeakPolarHBondContact CD1-OG1 3.27Å; F38-T68 HydrophobicContact CE1-CG2 4.24Å; F38-F69 HydrophobicContact CE1-CE2 4.34Å
39K85.6Confident87.9Confident190 Ų19067.3 Ų67.383%0.82635%0.351SS*.Hα-helixtrans-64.4-37.9176-172.5176.7179.5-177.80112V37V37-K39 PolarHBondContact O-N 3.32Å; V37-K39 VanDerWaalsContact O-N 3.15Å
40V85.4Confident88.1Confident62 Ų6265.6 Ų65.638%0.37635%0.345SS..Hα-helixtrans-78.4-39.4179.5-1760000110.3I12 V16 V37 F38 R42 T43I12-V40 HydrophobicContact CG2-CB 4.32Å; I12-V40 HydrophobicContact CG2-CG1 3.86Å; V16-V40 HydrophobicContact CG2-CG1 4.44Å; V37-V40 PolarHBondContact O-N 2.88Å; F38-V40 VanDerWaalsContact C-N 3.31Å; F38-V40 PolarHBondContact O-N 3.41Å; V40-R42 VanDerWaalsContact C-N 3.28Å; V40-R42 PolarHBondContact O-N 3.21Å; V40-T43 PolarHBondContact O-OG1 2.93Å
41L84.7Confident88.4Confident0 Ų065 Ų650%034%0.341CS..Hα-helixtrans-72-18.8-178.6-71166.9000113.7I12 L23 F33 V37 F38 T43 V44 S45 I48 F69I12-L41 HydrophobicContact CD1-CD1 4.3Å; I12-L41 HydrophobicContact CG1-CD2 4.43Å; I12-L41 HydrophobicContact CG2-CD2 3.75Å; I12-L41 HydrophobicContact CG2-CG 4.03Å; L23-L41 HydrophobicContact CD2-CD1 4.18Å; L23-L41 HydrophobicContact CD2-CD2 4.06Å; F33-L41 HydrophobicContact CZ-CD1 4.12Å; V37-L41 HydrophobicContact CB-CD1 4.34Å; V37-L41 HydrophobicContact CG2-CD1 3.69Å; V37-L41 WeakPolarHBondContact O-CG 3.34Å; V37-L41 PolarHBondContact O-N 3.23Å; F38-L41 PolarHBondContact O-N 2.94Å; L41-T43 PolarHBondContact O-N 3Å; L41-V44 HydrophobicContact CD2-CG2 4.11Å; L41-V44 CarbonylContact O-C 3.46Å; L41-V44 PolarHBondContact O-N 3.14Å; L41-S45 VanDerWaalsContact O-CB 3.32Å; L41-S45 WeakPolarHBondContact O-CB 3.45Å; L41-S45 PolarHBondContact O-N 2.95Å; L41-I48 HydrophobicContact CD2-CD1 3.94Å; L41-F69 HydrophobicContact CD1-CE1 4.41Å; L41-F69 HydrophobicContact CD1-CZ 3.82Å
42R82.1Confident88.7Confident205 Ų20560.8 Ų60.877%0.77432%0.321SS*.THydrogen-bonded Turntrans-54-29.1-177.7-165.5-179.1-166.6-1745.2113.9F38 V40F38-R42 PolarHBondContact O-N 2.64Å; F38-R42 VanDerWaalsContact O-N 3.09Å; V40-R42 VanDerWaalsContact C-N 3.28Å; V40-R42 PolarHBondContact O-N 3.21Å
43T82.6Confident89Confident111 Ų11157.3 Ų57.368%0.68130%0.297SS*.THydrogen-bonded Turntrans-80.6-16.8-179.851.70000113.6V40 L41V40-T43 PolarHBondContact O-OG1 2.93Å; L41-T43 PolarHBondContact O-N 3Å
44V86Confident89.3Confident13 Ų1357.3 Ų57.38%0.07930%0.298CS..THydrogen-bonded Turntrans-126.3-7.1-175.6-610000113.6V16 L41 E46 N47 I48V16-V44 HydrophobicContact CB-CG1 4.25Å; V16-V44 HydrophobicContact CG1-CG1 4.06Å; V16-V44 HydrophobicContact CG2-CB 4.48Å; V16-V44 HydrophobicContact CG2-CG1 3.96Å; V16-V44 HydrophobicContact CG2-CG2 3.68Å; L41-V44 HydrophobicContact CD2-CG2 4.11Å; L41-V44 CarbonylContact O-C 3.46Å; L41-V44 PolarHBondContact O-N 3.14Å; V44-E46 PolarHBondContact O-N 3.08Å; V44-N47 WeakPolarHBondContact O-CA 3.48Å; V44-N47 WeakPolarHBondContact O-CB 3.5Å; V44-N47 PolarHBondContact O-N 3.09Å; V44-I48 HydrophobicContact CG2-CD1 3.93Å; V44-I48 PolarHBondContact O-N 3.16Å
45S85.4Confident89.8Confident12 Ų1259.9 Ų59.98%0.08431%0.309CS..THydrogen-bonded Turntrans-61.1-30.2-174.656.70000113L41 N47 I48 T68L41-S45 VanDerWaalsContact O-CB 3.32Å; L41-S45 WeakPolarHBondContact O-CB 3.45Å; L41-S45 PolarHBondContact O-N 2.95Å; S45-N47 PolarHBondContact O-N 2.8Å; S45-I48 PolarHBondContact O-N 2.81Å; S45-T68 WeakPolarHBondContact CB-O 3.41Å
46E88Confident90.4Very high144 Ų14456.4 Ų56.467%0.67329%0.291SS*.THydrogen-bonded Turntrans-70-18174.1-62.9-178175.600113.1V44 Q71V44-E46 PolarHBondContact O-N 3.08Å; E46-Q71 VanDerWaalsContact O-CG 3.29Å; E46-Q71 WeakPolarHBondContact O-CG 3.48Å
47N92Very high91Very high84 Ų8458.4 Ų58.445%0.44928%0.281SS..THydrogen-bonded Turntrans-96.9-17176.6-68.2-29.8000112.9D21 V44 S45 R49D21-N47 WeakPolarHBondContact CA-O 3.24Å; D21-N47 WeakPolarHBondContact CB-O 3.34Å; V44-N47 WeakPolarHBondContact O-CA 3.48Å; V44-N47 WeakPolarHBondContact O-CB 3.5Å; V44-N47 PolarHBondContact O-N 3.09Å; S45-N47 PolarHBondContact O-N 2.8Å; N47-R49 PolarHBondContact O-N 2.89Å; N47-R49 PolarHBondContact O-NH1 3.42Å
48I95Very high91.5Very high0 Ų057.4 Ų57.40%028%0.275CS..  trans-76.7118.1-175.9-69170.8000109.7T15 D21 L23 L41 V44 S45 V51 F69 Q71T15-I48 HydrophobicContact CG2-CD1 4.47Å; D21-I48 CarbonylContact O-C 3.25Å; D21-I48 WeakPolarHBondContact O-CA 3.5Å; L23-I48 HydrophobicContact CB-CD1 4.2Å; L23-I48 HydrophobicContact CB-CG2 4.27Å; L23-I48 HydrophobicContact CD2-CD1 4.46Å; L41-I48 HydrophobicContact CD2-CD1 3.94Å; V44-I48 HydrophobicContact CG2-CD1 3.93Å; V44-I48 PolarHBondContact O-N 3.16Å; S45-I48 PolarHBondContact O-N 2.81Å; I48-V51 HydrophobicContact CG2-CG2 3.53Å; I48-F69 HydrophobicContact CB-CD1 3.98Å; I48-F69 HydrophobicContact CB-CE1 4.21Å; I48-F69 HydrophobicContact CD1-CD1 4.34Å; I48-F69 HydrophobicContact CD1-CE1 3.73Å; I48-F69 HydrophobicContact CG2-CD1 3.77Å; I48-F69 HydrophobicContact CG2-CE1 3.95Å; I48-Q71 CarbonylContact O-C 3.52Å
49R97Very high91.9Very high84 Ų8463.4 Ų63.432%0.31730%0.301SS..  trans-110-26.3179.8-67.7169.6177.377.34.2112.1D21 N47 R73 E74D21-R49 HydrophobicContact CB-CB 4.45Å; D21-R49 HydrophobicContact CB-CG 4.46Å; D21-R49 PolarHBondContact O-N 3.04Å; N47-R49 PolarHBondContact O-N 2.89Å; N47-R49 PolarHBondContact O-NH1 3.42Å; R49-R73 HydrophobicContact CB-CB 4.45Å; R49-R73 HydrophobicContact CB-CG 4.27Å; R49-R73 HydrophobicContact CG-CG 4.46Å; R49-R73 WeakPolarHBondContact O-CA 3.36Å; R49-R73 PolarHBondContact O-N 2.86Å; R49-E74 PolarHBondContact O-N 3.33Å
50I97.7Very high92.3Very high58 Ų5857.1 Ų57.130%0.29728%0.284SS..EExtended strand (participates in β ladder)trans-125.3126.8-176.6-55.6177.5000108.2D21 S22 L23 E74D21-I50 PolarHBondContact O-N 3.01Å; D21-I50 VanDerWaalsContact O-N 3.08Å; S22-I50 CarbonylContact C-O 3.15Å; S22-I50 VanDerWaalsContact CA-O 3.3Å; S22-I50 WeakPolarHBondContact CA-O 3.19Å; L23-I50 PolarHBondContact N-O 3.02Å; I50-E74 WeakPolarHBondContact CA-O 3.5Å; I50-E74 HydrophobicContact CB-CB 4.49Å; I50-E74 HydrophobicContact CG1-CB 4.16Å; I50-E74 HydrophobicContact CG1-CG 4.37Å; I50-E74 HydrophobicContact CG2-CB 4.19Å
51V97.2Very high92.6Very high0 Ų054.7 Ų54.70%027%0.269CS..EExtended strand (participates in β ladder)trans-128.1124.5171.7-179.80000109L23 I48 L53 F65 F69 L72 E74 L75 D76L23-V51 HydrophobicContact CB-CG2 4.28Å; L23-V51 WeakPolarHBondContact O-CA 3.33Å; I48-V51 HydrophobicContact CG2-CG2 3.53Å; V51-L53 HydrophobicContact CG1-CD1 4.28Å; V51-L53 HydrophobicContact CG1-CG 4.16Å; V51-F65 HydrophobicContact CB-CZ 4.17Å; V51-F65 HydrophobicContact CG1-CE2 4.1Å; V51-F65 HydrophobicContact CG1-CZ 3.8Å; V51-F65 HydrophobicContact CG2-CZ 4.32Å; V51-F69 HydrophobicContact CG2-CD1 4.27Å; V51-F69 HydrophobicContact CG2-CE1 4.31Å; V51-F69 HydrophobicContact CG2-CG 4.42Å; V51-L72 HydrophobicContact CB-CD1 3.9Å; V51-L72 HydrophobicContact CG2-CD1 3.52Å; V51-E74 PolarHBondContact N-O 2.73Å; V51-L75 HydrophobicContact CB-CD1 4.2Å; V51-L75 HydrophobicContact CG1-CD1 4.4Å; V51-L75 WeakPolarHBondContact O-CA 3.18Å; V51-D76 PolarHBondContact O-N 3.06Å
52T97.4Very high93Very high25 Ų2556.5 Ų56.515%0.15328%0.282CS..EExtended strand (participates in β ladder)trans-112.2127.5167.7-179.10000110.7L23 D24 L25 A54 D76L23-T52 PolarHBondContact O-N 3.04Å; D24-T52 HydrophobicContact CB-CG2 3.73Å; D24-T52 WeakPolarHBondContact OD1-CG2 3.47Å; L25-T52 CarbonylContact C-O 3.59Å; L25-T52 WeakPolarHBondContact CA-O 3.39Å; L25-T52 PolarHBondContact N-O 3.17Å; T52-A54 WeakPolarHBondContact OG1-CB 3.28Å; T52-A54 PolarHBondContact OG1-N 3.19Å; T52-D76 PolarHBondContact OG1-OD2 2.75Å; T52-D76 VanDerWaalsContact OG1-OD2 3.05Å
53L96.8Very high93.5Very high0 Ų049.3 Ų49.30%026%0.263CS..  trans-120.323.9172.2-68.3159.4000109.6L25 L30 F33 V51 N56 M58 I61 F65 D76 L77 N80L25-L53 HydrophobicContact CB-CD2 3.73Å; L25-L53 HydrophobicContact CD1-CD2 4.08Å; L30-L53 HydrophobicContact CD1-CD2 3.98Å; F33-L53 HydrophobicContact CD2-CD1 4.09Å; F33-L53 HydrophobicContact CD2-CD2 3.95Å; F33-L53 HydrophobicContact CE2-CD1 4.49Å; F33-L53 HydrophobicContact CE2-CD2 4.18Å; V51-L53 HydrophobicContact CG1-CD1 4.28Å; V51-L53 HydrophobicContact CG1-CG 4.16Å; L53-N56 VanDerWaalsContact C-ND2 3.34Å; L53-N56 PolarHBondContact O-ND2 3.45Å; L53-M58 HydrophobicContact CB-SD 4.05Å; L53-M58 HydrophobicContact CD1-CE 4.21Å; L53-M58 HydrophobicContact CD1-SD 4.22Å; L53-M58 HydrophobicContact CD2-SD 3.99Å; L53-M58 HydrophobicContact CG-SD 4.33Å; L53-I61 HydrophobicContact CD1-CD1 3.98Å; L53-F65 HydrophobicContact CD1-CE2 3.95Å; L53-F65 HydrophobicContact CD1-CZ 4.18Å; L53-D76 PolarHBondContact N-O 3.03Å; L53-L77 HydrophobicContact CB-CD2 3.85Å; L53-L77 HydrophobicContact CD1-CD2 3.7Å; L53-L77 HydrophobicContact CG-CD2 4.36Å; L53-N80 PolarHBondContact O-ND2 2.84Å
54A97.6Very high94Very high5 Ų548.6 Ų48.64%0.04125%0.251CS..  trans-59.5153.9-176.600000113.1S26 N27 T52 N56 Q78S26-A54 CarbonylContact C-O 3.11Å; S26-A54 WeakPolarHBondContact CA-O 3.03Å; N27-A54 PolarHBondContact N-O 3.22Å; T52-A54 WeakPolarHBondContact OG1-CB 3.28Å; T52-A54 PolarHBondContact OG1-N 3.19Å; A54-N56 VanDerWaalsContact C-N 3.27Å; A54-N56 PolarHBondContact O-N 2.97Å; A54-N56 PolarHBondContact O-ND2 2.99Å; A54-Q78 CarbonylContact C-O 3.49Å; A54-Q78 WeakPolarHBondContact CA-O 3.45Å; A54-Q78 HydrophobicContact CB-CB 4.28Å
55D97.3Very high94.4Very high84 Ų8448 Ų4845%0.44925%0.247SC..SBendtrans53.741.6174.1-58.6-42.5000113.6N27 Q78 G79N27-D55 WeakPolarHBondContact CA-O 3.47Å; N27-D55 HydrophobicContact CB-CB 4.38Å; D55-Q78 PolarHBondContact N-O 3.28Å; D55-G79 WeakPolarHBondContact CA-O 3.42Å
56N95.9Very high94.7Very high8 Ų847.8 Ų47.84%0.04324%0.244CC..SBendtrans-105.8-164.9172.1-78.6-70.1000110.3L25 C28 Q29 L30 L53 A54 M58 G79 N80L25-N56 PolarHBondContact O-ND2 3.02Å; C28-N56 VanDerWaalsContact C-OD1 3.32Å; C28-N56 WeakPolarHBondContact CA-OD1 3.45Å; C28-N56 PolarHBondContact N-OD1 3.41Å; Q29-N56 PolarHBondContact N-OD1 2.86Å; L30-N56 HydrophobicContact CB-CB 4.07Å; L30-N56 WeakPolarHBondContact CB-OD1 3.4Å; L30-N56 PolarHBondContact N-OD1 3.15Å; L53-N56 VanDerWaalsContact C-ND2 3.34Å; L53-N56 PolarHBondContact O-ND2 3.45Å; A54-N56 VanDerWaalsContact C-N 3.27Å; A54-N56 PolarHBondContact O-N 2.97Å; A54-N56 PolarHBondContact O-ND2 2.99Å; N56-M58 HydrophobicContact CB-CG 4.02Å; N56-M58 HydrophobicContact CB-SD 4.43Å; N56-G79 VanDerWaalsContact O-O 3.14Å; N56-N80 WeakPolarHBondContact CA-OD1 3.48Å; N56-N80 WeakPolarHBondContact CB-OD1 3.46Å; N56-N80 PolarHBondContact O-OD1 3.49Å
57K95.9Very high94.8Very high110 Ų11044.7 Ų44.748%0.47824%0.238SC..  trans-121.832.6178.1-67.3172.6173.8163.20110.1L30 N80 I81L30-K57 CarbonylContact O-C 3.57Å; L30-K57 VanDerWaalsContact O-CA 3.24Å; L30-K57 WeakPolarHBondContact O-CA 3.32Å; L30-K57 PolarHBondContact O-N 2.72Å; K57-N80 PolarHBondContact N-OD1 2.89Å; K57-I81 WeakPolarHBondContact O-CD1 3.47Å
58M95.3Very high94.8Very high0 Ų041.8 Ų41.80%022%0.224CC..  trans-76.9128.8-173.2-63-179.961.900110.8L30 I31 F33 L53 N56 I61 N80 I81 F82L30-M58 HydrophobicContact CB-CG 4.06Å; L30-M58 HydrophobicContact CB-SD 4.29Å; L30-M58 WeakPolarHBondContact O-CG 3.41Å; L30-M58 PolarHBondContact O-N 3.15Å; I31-M58 WeakPolarHBondContact O-CA 3.32Å; F33-M58 HydrophobicContact CB-CE 4.06Å; L53-M58 HydrophobicContact CB-SD 4.05Å; L53-M58 HydrophobicContact CD1-CE 4.21Å; L53-M58 HydrophobicContact CD1-SD 4.22Å; L53-M58 HydrophobicContact CD2-SD 3.99Å; L53-M58 HydrophobicContact CG-SD 4.33Å; N56-M58 HydrophobicContact CB-CG 4.02Å; N56-M58 HydrophobicContact CB-SD 4.43Å; M58-I61 HydrophobicContact CE-CB 4.47Å; M58-I61 HydrophobicContact CE-CG1 4.47Å; M58-N80 HydrophobicContact CB-CB 4.5Å; M58-N80 VanDerWaalsContact CB-OD1 3.3Å; M58-N80 WeakPolarHBondContact CB-OD1 3.38Å; M58-N80 PolarHBondContact N-OD1 2.75Å; M58-I81 CarbonylContact O-C 3.48Å; M58-I81 VanDerWaalsContact O-C 3.3Å; M58-I81 WeakPolarHBondContact O-CG1 3.45Å; M58-I81 PolarHBondContact O-N 3.26Å; M58-F82 HydrophobicContact CB-CE2 3.69Å; M58-F82 HydrophobicContact CB-CZ 3.69Å; M58-F82 HydrophobicContact CE-CZ 4.01Å; M58-F82 PolarHBondContact O-N 2.99Å
59K94.9Very high94.8Very high136 Ų13641.8 Ų41.859%0.59122%0.224SC*.SBendtrans-97-24.1174.1-66.8179.9177.9-176.50112.8I81K59-I81 HydrophobicContact CB-CG1 4.46Å; K59-I81 HydrophobicContact CD-CD1 4.02Å; K59-I81 HydrophobicContact CG-CD1 3.34Å; K59-I81 HydrophobicContact CG-CG1 3.53Å
60A93.3Very high94.5Very high59 Ų5941 Ų4149%0.48823%0.229SC..  trans-155.1156.2-172.800000110F82A60-F82 VanDerWaalsContact C-CE1 3.43Å
61I93.7Very high94.4Very high10 Ų1041 Ų415%0.05123%0.227CC..  trans-131138173.8-166.8164.4000106.8L53 M58 F65 F66 L77 F82 L85 P86L53-I61 HydrophobicContact CD1-CD1 3.98Å; M58-I61 HydrophobicContact CE-CB 4.47Å; M58-I61 HydrophobicContact CE-CG1 4.47Å; I61-F65 HydrophobicContact CD1-CB 4.07Å; I61-F65 HydrophobicContact CD1-CD1 3.52Å; I61-F65 HydrophobicContact CD1-CD2 3.69Å; I61-F65 HydrophobicContact CD1-CE1 3.78Å; I61-F65 HydrophobicContact CD1-CE2 3.94Å; I61-F65 HydrophobicContact CD1-CG 3.48Å; I61-F65 VanDerWaalsContact CD1-CG 3.48Å; I61-F65 HydrophobicContact CD1-CZ 3.98Å; I61-F65 HydrophobicContact CG1-CB 3.75Å; I61-F65 HydrophobicContact CG1-CD1 4.14Å; I61-F65 HydrophobicContact CG1-CD2 4.12Å; I61-F65 HydrophobicContact CG1-CG 3.75Å; I61-F66 HydrophobicContact CG2-CE2 3.8Å; I61-F66 HydrophobicContact CG2-CZ 4Å; I61-L77 HydrophobicContact CD1-CD2 4.41Å; I61-F82 HydrophobicContact CB-CE1 3.88Å; I61-F82 HydrophobicContact CB-CZ 4.14Å; I61-F82 HydrophobicContact CG2-CE1 3.94Å; I61-F82 HydrophobicContact CG2-CZ 4.48Å; I61-L85 HydrophobicContact CG2-CD2 4.31Å; I61-P86 HydrophobicContact CG2-CG 4.12Å
62S92.8Very high94.4Very high39 Ų3941 Ų4127%0.27323%0.227SC..  trans-79.2150.9-175.158.80000110.8K64 F65S62-K64 PolarHBondContact O-N 3Å; S62-K64 VanDerWaalsContact O-N 3.17Å; S62-F65 WeakPolarHBondContact O-CB 3.19Å; S62-F65 PolarHBondContact O-N 3.34Å
63S92Very high94.4Very high54 Ų5444.7 Ų44.738%0.37824%0.239SC..Hα-helixtrans-57.7-28.4172.856.70000112.8F65 F66 S67 E88S63-F65 PolarHBondContact O-N 3.26Å; S63-F66 PolarHBondContact O-N 3.05Å; S63-F66 VanDerWaalsContact O-N 3.12Å; S63-S67 PolarHBondContact O-N 2.91Å; S63-S67 VanDerWaalsContact O-N 3.16Å; S63-S67 PolarHBondContact O-OG 3.18Å; S63-E88 WeakPolarHBondContact CB-OE1 3.29Å; S63-E88 WeakPolarHBondContact CB-OE2 3.43Å
64K92.6Very high94.5Very high96 Ų9649 Ų4942%0.41726%0.259SS..Hα-helixtrans-57-29.6172.4-170.3171.8177.8-175.50113.4F38 S62 S67 T68F38-K64 HydrophobicContact CD2-CD 3.55Å; F38-K64 HydrophobicContact CD2-CG 3.93Å; F38-K64 HydrophobicContact CE2-CB 4.01Å; F38-K64 HydrophobicContact CE2-CD 3.6Å; F38-K64 HydrophobicContact CE2-CG 3.64Å; F38-K64 HydrophobicContact CG-CD 4.35Å; F38-K64 HydrophobicContact CG-CG 4.5Å; F38-K64 HydrophobicContact CZ-CB 4.21Å; F38-K64 HydrophobicContact CZ-CD 4.43Å; F38-K64 HydrophobicContact CZ-CG 3.99Å; S62-K64 PolarHBondContact O-N 3Å; S62-K64 VanDerWaalsContact O-N 3.17Å; K64-S67 WeakPolarHBondContact CA-OG 3.23Å; K64-S67 PolarHBondContact O-OG 2.89Å; K64-T68 WeakPolarHBondContact O-CB 3.44Å; K64-T68 PolarHBondContact O-N 3.05Å; K64-T68 PolarHBondContact O-OG1 2.71Å
65F93.8Very high94.5Very high0 Ų048.9 Ų48.90%026%0.257CS..Hα-helixtrans-60.4-51.4174.5-179.9-89.4000110.7F33 F38 V51 L53 I61 S62 S63 S67 T68 F69 L72 L75F33-F65 HydrophobicContact CD1-CD2 4.29Å; F33-F65 AromaticContact CD2-CD2 3.81Å; F33-F65 HydrophobicContact CD2-CD2 3.81Å; F33-F65 AromaticContact CD2-CE2 3.91Å; F33-F65 HydrophobicContact CD2-CE2 3.91Å; F33-F65 HydrophobicContact CE1-CD2 4.29Å; F33-F65 AromaticContact CE2-CD2 3.8Å; F33-F65 HydrophobicContact CE2-CD2 3.8Å; F33-F65 AromaticContact CE2-CE2 3.65Å; F33-F65 HydrophobicContact CE2-CE2 3.65Å; F33-F65 HydrophobicContact CG-CD2 4.05Å; F33-F65 HydrophobicContact CZ-CD2 4.04Å; F33-F65 HydrophobicContact CZ-CE2 4.15Å; F38-F65 HydrophobicContact CZ-CB 4.32Å; V51-F65 HydrophobicContact CB-CZ 4.17Å; V51-F65 HydrophobicContact CG1-CE2 4.1Å; V51-F65 HydrophobicContact CG1-CZ 3.8Å; V51-F65 HydrophobicContact CG2-CZ 4.32Å; L53-F65 HydrophobicContact CD1-CE2 3.95Å; L53-F65 HydrophobicContact CD1-CZ 4.18Å; I61-F65 HydrophobicContact CD1-CB 4.07Å; I61-F65 HydrophobicContact CD1-CD1 3.52Å; I61-F65 HydrophobicContact CD1-CD2 3.69Å; I61-F65 HydrophobicContact CD1-CE1 3.78Å; I61-F65 HydrophobicContact CD1-CE2 3.94Å; I61-F65 HydrophobicContact CD1-CG 3.48Å; I61-F65 VanDerWaalsContact CD1-CG 3.48Å; I61-F65 HydrophobicContact CD1-CZ 3.98Å; I61-F65 HydrophobicContact CG1-CB 3.75Å; I61-F65 HydrophobicContact CG1-CD1 4.14Å; I61-F65 HydrophobicContact CG1-CD2 4.12Å; I61-F65 HydrophobicContact CG1-CG 3.75Å; S62-F65 WeakPolarHBondContact O-CB 3.19Å; S62-F65 PolarHBondContact O-N 3.34Å; S63-F65 PolarHBondContact O-N 3.26Å; F65-S67 PolarHBondContact O-N 3.08Å; F65-T68 PolarHBondContact O-N 3.29Å; F65-T68 VanDerWaalsContact O-N 3.1Å; F65-F69 HydrophobicContact CD1-CD2 4.08Å; F65-F69 AromaticContact CD2-CD2 3.66Å; F65-F69 HydrophobicContact CD2-CD2 3.66Å; F65-F69 AromaticContact CD2-CE2 3.42Å; F65-F69 HydrophobicContact CD2-CE2 3.42Å; F65-F69 VanDerWaalsContact CD2-CE2 3.42Å; F65-F69 AromaticContact CE1-CD2 3.97Å; F65-F69 HydrophobicContact CE1-CD2 3.97Å; F65-F69 AromaticContact CE2-CD2 3.54Å; F65-F69 HydrophobicContact CE2-CD2 3.54Å; F65-F69 AromaticContact CE2-CE2 3.27Å; F65-F69 HydrophobicContact CE2-CE2 3.27Å; F65-F69 HydrophobicContact CE2-CZ 4.29Å; F65-F69 AromaticContact CG-CD2 3.93Å; F65-F69 HydrophobicContact CG-CD2 3.93Å; F65-F69 HydrophobicContact CG-CE2 4.14Å; F65-F69 AromaticContact CZ-CD2 3.69Å; F65-F69 HydrophobicContact CZ-CD2 3.69Å; F65-F69 AromaticContact CZ-CE2 3.89Å; F65-F69 HydrophobicContact CZ-CE2 3.89Å; F65-F69 VanDerWaalsContact O-CD2 3.25Å; F65-F69 WeakPolarHBondContact O-CD2 3.12Å; F65-F69 PolarHBondContact O-N 2.69Å; F65-L72 HydrophobicContact CE1-CD2 4.05Å; F65-L75 HydrophobicContact CE1-CD1 3.98Å; F65-L75 HydrophobicContact CE1-CD2 4.27Å; F65-L75 HydrophobicContact CZ-CD1 3.87Å
66F92.8Very high94.6Very high8 Ų846.8 Ų46.84%0.03525%0.246CC..Hα-helixtrans-68.1-36.9-177.1-61.4-66.3000112.7I61 S63 T68 L75 P86 E88 V89 V92I61-F66 HydrophobicContact CG2-CE2 3.8Å; I61-F66 HydrophobicContact CG2-CZ 4Å; S63-F66 PolarHBondContact O-N 3.05Å; S63-F66 VanDerWaalsContact O-N 3.12Å; F66-T68 VanDerWaalsContact C-N 3.26Å; F66-T68 PolarHBondContact O-N 3.31Å; F66-L75 HydrophobicContact CE1-CD2 3.9Å; F66-L75 HydrophobicContact CZ-CD2 4.38Å; F66-P86 HydrophobicContact CD2-CG 3.86Å; F66-P86 HydrophobicContact CE2-CG 3.37Å; F66-P86 HydrophobicContact CZ-CG 4.45Å; F66-E88 HydrophobicContact CB-CB 4.41Å; F66-E88 HydrophobicContact CD2-CB 4.46Å; F66-V89 HydrophobicContact CD1-CG2 4.44Å; F66-V89 HydrophobicContact CE1-CB 4.08Å; F66-V89 HydrophobicContact CE1-CG2 3.74Å; F66-V89 HydrophobicContact CE2-CB 4.2Å; F66-V89 HydrophobicContact CZ-CB 3.89Å; F66-V89 HydrophobicContact CZ-CG2 3.86Å; F66-V92 HydrophobicContact CB-CG2 3.99Å; F66-V92 HydrophobicContact CD1-CG2 3.41Å; F66-V92 VanDerWaalsContact CD1-CG2 3.41Å; F66-V92 HydrophobicContact CE1-CG2 4.24Å; F66-V92 HydrophobicContact CG-CG2 4.05Å
67S90.9Very high94.7Very high78 Ų7846.4 Ų46.455%0.54524%0.244SC..Hα-helixtrans-73.3-15.2173.157.70000114.2S63 K64 F65 T70S63-S67 PolarHBondContact O-N 2.91Å; S63-S67 VanDerWaalsContact O-N 3.16Å; S63-S67 PolarHBondContact O-OG 3.18Å; K64-S67 WeakPolarHBondContact CA-OG 3.23Å; K64-S67 PolarHBondContact O-OG 2.89Å; F65-S67 PolarHBondContact O-N 3.08Å; S67-T70 WeakPolarHBondContact O-CG2 3.42Å
68T92Very high94.8Very high24 Ų2444.1 Ų44.115%0.14724%0.235CC..Hα-helixtrans-87.1-45.8174.9-58.60000111.7F38 S45 K64 F65 F66 T70F38-T68 HydrophobicContact CD1-CG2 3.88Å; F38-T68 WeakPolarHBondContact CD1-OG1 3.27Å; F38-T68 HydrophobicContact CE1-CG2 4.24Å; S45-T68 WeakPolarHBondContact CB-O 3.41Å; K64-T68 WeakPolarHBondContact O-CB 3.44Å; K64-T68 PolarHBondContact O-N 3.05Å; K64-T68 PolarHBondContact O-OG1 2.71Å; F65-T68 PolarHBondContact O-N 3.29Å; F65-T68 VanDerWaalsContact O-N 3.1Å; F66-T68 VanDerWaalsContact C-N 3.26Å; F66-T68 PolarHBondContact O-N 3.31Å; T68-T70 PolarHBondContact O-N 3.37Å
69F93.1Very high94.9Very high0 Ų045.1 Ų45.10%025%0.245CC..  trans-95.162.5-176.6-59.2-72000111.3L23 F33 F38 L41 I48 V51 F65 Q71 L72L23-F69 HydrophobicContact CD2-CE1 4.19Å; L23-F69 HydrophobicContact CD2-CZ 3.87Å; F33-F69 AromaticContact CZ-CE2 3.99Å; F33-F69 HydrophobicContact CZ-CE2 3.99Å; F33-F69 HydrophobicContact CZ-CZ 4.13Å; F38-F69 HydrophobicContact CE1-CE2 4.34Å; L41-F69 HydrophobicContact CD1-CE1 4.41Å; L41-F69 HydrophobicContact CD1-CZ 3.82Å; I48-F69 HydrophobicContact CB-CD1 3.98Å; I48-F69 HydrophobicContact CB-CE1 4.21Å; I48-F69 HydrophobicContact CD1-CD1 4.34Å; I48-F69 HydrophobicContact CD1-CE1 3.73Å; I48-F69 HydrophobicContact CG2-CD1 3.77Å; I48-F69 HydrophobicContact CG2-CE1 3.95Å; V51-F69 HydrophobicContact CG2-CD1 4.27Å; V51-F69 HydrophobicContact CG2-CE1 4.31Å; V51-F69 HydrophobicContact CG2-CG 4.42Å; F65-F69 HydrophobicContact CD1-CD2 4.08Å; F65-F69 AromaticContact CD2-CD2 3.66Å; F65-F69 HydrophobicContact CD2-CD2 3.66Å; F65-F69 AromaticContact CD2-CE2 3.42Å; F65-F69 HydrophobicContact CD2-CE2 3.42Å; F65-F69 VanDerWaalsContact CD2-CE2 3.42Å; F65-F69 AromaticContact CE1-CD2 3.97Å; F65-F69 HydrophobicContact CE1-CD2 3.97Å; F65-F69 AromaticContact CE2-CD2 3.54Å; F65-F69 HydrophobicContact CE2-CD2 3.54Å; F65-F69 AromaticContact CE2-CE2 3.27Å; F65-F69 HydrophobicContact CE2-CE2 3.27Å; F65-F69 HydrophobicContact CE2-CZ 4.29Å; F65-F69 AromaticContact CG-CD2 3.93Å; F65-F69 HydrophobicContact CG-CD2 3.93Å; F65-F69 HydrophobicContact CG-CE2 4.14Å; F65-F69 AromaticContact CZ-CD2 3.69Å; F65-F69 HydrophobicContact CZ-CD2 3.69Å; F65-F69 AromaticContact CZ-CE2 3.89Å; F65-F69 HydrophobicContact CZ-CE2 3.89Å; F65-F69 VanDerWaalsContact O-CD2 3.25Å; F65-F69 WeakPolarHBondContact O-CD2 3.12Å; F65-F69 PolarHBondContact O-N 2.69Å; F69-Q71 PolarHBondContact O-N 3.09Å; F69-L72 HydrophobicContact CB-CB 4.14Å; F69-L72 WeakPolarHBondContact O-CB 3.36Å; F69-L72 PolarHBondContact O-N 3.11Å
70T91.9Very high95.1Very high68 Ų6839 Ų3942%0.41722%0.219SC..THydrogen-bonded Turntrans-68-18.6-175.458.30000113.7S67 T68 H94S67-T70 WeakPolarHBondContact O-CG2 3.42Å; T68-T70 PolarHBondContact O-N 3.37Å; T70-H94 PolarHBondContact O-CD2 2.88Å
71Q95Very high95.3Very high57 Ų5739.4 Ų39.427%0.26621%0.212SC..THydrogen-bonded Turntrans-98.912.3178.3-64-59.9-57.300113.5E46 I48 F69 R73 H94E46-Q71 VanDerWaalsContact O-CG 3.29Å; E46-Q71 WeakPolarHBondContact O-CG 3.48Å; I48-Q71 CarbonylContact O-C 3.52Å; F69-Q71 PolarHBondContact O-N 3.09Å; Q71-R73 PolarHBondContact O-N 3.28Å; Q71-H94 PolarHBondContact NE2-CD2 3.25Å; Q71-H94 PolarHBondContact NE2-NE2 3.38Å
72L97Very high95.5Very high0 Ų039 Ų390%021%0.21CC..  trans-63.2128.8-178.4-168.468000111.4V51 F65 F69 E74 L75 V92 H94 L95V51-L72 HydrophobicContact CB-CD1 3.9Å; V51-L72 HydrophobicContact CG2-CD1 3.52Å; F65-L72 HydrophobicContact CE1-CD2 4.05Å; F69-L72 HydrophobicContact CB-CB 4.14Å; F69-L72 WeakPolarHBondContact O-CB 3.36Å; F69-L72 PolarHBondContact O-N 3.11Å; L72-E74 WeakPolarHBondContact CD1-O 3.37Å; L72-L75 HydrophobicContact CD2-CB 3.98Å; L72-L75 HydrophobicContact CD2-CD1 4.33Å; L72-L75 HydrophobicContact CD2-CD2 4.26Å; L72-L75 HydrophobicContact CD2-CG 4.41Å; L72-V92 HydrophobicContact CB-CG1 3.99Å; L72-H94 CarbonylContact O-C 3.51Å; L72-L95 HydrophobicContact CD2-CD1 4.12Å; L72-L95 HydrophobicContact CG-CD1 3.96Å; L72-L95 WeakPolarHBondContact O-CA 3.47Å; L72-L95 PolarHBondContact O-N 2.87Å
73R98.1Very high95.6Very high103 Ų10341 Ų4139%0.38922%0.221SC..  trans-113.4-33.7178.8-64.9-176.7177-87.5-6.7112.2R49 Q71 H94 T96 S97R49-R73 HydrophobicContact CB-CB 4.45Å; R49-R73 HydrophobicContact CB-CG 4.27Å; R49-R73 HydrophobicContact CG-CG 4.46Å; R49-R73 WeakPolarHBondContact O-CA 3.36Å; R49-R73 PolarHBondContact O-N 2.86Å; Q71-R73 PolarHBondContact O-N 3.28Å; R73-H94 WeakPolarHBondContact CA-O 3.3Å; R73-T96 PolarHBondContact O-N 3.19Å; R73-T96 PolarHBondContact O-OG1 3.22Å; R73-S97 PolarHBondContact O-N 3.46Å
74E98.5Very high95.8Very high90 Ų9045.9 Ų45.942%0.42124%0.235SC..EExtended strand (participates in β ladder)trans-134.1127.4-179.5-56.1-173.6-166.500110.3R49 I50 V51 L72 S97R49-E74 PolarHBondContact O-N 3.33Å; I50-E74 WeakPolarHBondContact CA-O 3.5Å; I50-E74 HydrophobicContact CB-CB 4.49Å; I50-E74 HydrophobicContact CG1-CB 4.16Å; I50-E74 HydrophobicContact CG1-CG 4.37Å; I50-E74 HydrophobicContact CG2-CB 4.19Å; V51-E74 PolarHBondContact N-O 2.73Å; L72-E74 WeakPolarHBondContact CD1-O 3.37Å; E74-S97 WeakPolarHBondContact CA-O 2.9Å
75L98.4Very high96Very high3 Ų342 Ų422%0.01622%0.219CC..EExtended strand (participates in β ladder)trans-126.3119.6177.2179.657.8000110.1V51 F65 F66 L72 L77 L95 S97 I98 N99V51-L75 HydrophobicContact CB-CD1 4.2Å; V51-L75 HydrophobicContact CG1-CD1 4.4Å; V51-L75 WeakPolarHBondContact O-CA 3.18Å; F65-L75 HydrophobicContact CE1-CD1 3.98Å; F65-L75 HydrophobicContact CE1-CD2 4.27Å; F65-L75 HydrophobicContact CZ-CD1 3.87Å; F66-L75 HydrophobicContact CE1-CD2 3.9Å; F66-L75 HydrophobicContact CZ-CD2 4.38Å; L72-L75 HydrophobicContact CD2-CB 3.98Å; L72-L75 HydrophobicContact CD2-CD1 4.33Å; L72-L75 HydrophobicContact CD2-CD2 4.26Å; L72-L75 HydrophobicContact CD2-CG 4.41Å; L75-L77 HydrophobicContact CD1-CD2 3.87Å; L75-L77 HydrophobicContact CD1-CG 4.19Å; L75-L77 HydrophobicContact CD2-CD1 4.13Å; L75-L77 HydrophobicContact CD2-CG 4.27Å; L75-L77 HydrophobicContact CG-CD1 4.38Å; L75-L77 HydrophobicContact CG-CD2 4.22Å; L75-L77 HydrophobicContact CG-CG 3.98Å; L75-L95 HydrophobicContact CB-CD1 3.94Å; L75-S97 PolarHBondContact N-O 2.77Å; L75-I98 HydrophobicContact CB-CG1 4.29Å; L75-I98 HydrophobicContact CD2-CD1 4.3Å; L75-I98 CarbonylContact O-C 3.17Å; L75-I98 WeakPolarHBondContact O-CA 3.3Å; L75-N99 PolarHBondContact O-N 3.28Å
76D98.6Very high96.1Very high40 Ų4043.5 Ų43.521%0.21423%0.229CC..EExtended strand (participates in β ladder)trans-112.1113.1176.8178.715000110.8V51 T52 L53 Q78 N99V51-D76 PolarHBondContact O-N 3.06Å; T52-D76 PolarHBondContact OG1-OD2 2.75Å; T52-D76 VanDerWaalsContact OG1-OD2 3.05Å; L53-D76 PolarHBondContact N-O 3.03Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.3Å; D76-Q78 PolarHBondContact OD1-N 2.82Å; D76-N99 HydrophobicContact CB-CB 4.37Å; D76-N99 PolarHBondContact OD1-ND2 3.08Å
77L98.3Very high96.1Very high0 Ų048.3 Ų48.30%026%0.255CS..  trans-116.718.6176.7-56.1179.5000111.3L53 I61 L75 N80 F82 L85 N99 L100 N103L53-L77 HydrophobicContact CB-CD2 3.85Å; L53-L77 HydrophobicContact CD1-CD2 3.7Å; L53-L77 HydrophobicContact CG-CD2 4.36Å; I61-L77 HydrophobicContact CD1-CD2 4.41Å; L75-L77 HydrophobicContact CD1-CD2 3.87Å; L75-L77 HydrophobicContact CD1-CG 4.19Å; L75-L77 HydrophobicContact CD2-CD1 4.13Å; L75-L77 HydrophobicContact CD2-CG 4.27Å; L75-L77 HydrophobicContact CG-CD1 4.38Å; L75-L77 HydrophobicContact CG-CD2 4.22Å; L75-L77 HydrophobicContact CG-CG 3.98Å; L77-N80 PolarHBondContact O-ND2 2.78Å; L77-F82 HydrophobicContact CB-CD2 4.27Å; L77-F82 HydrophobicContact CB-CE2 3.98Å; L77-F82 HydrophobicContact CD1-CD2 4.48Å; L77-F82 HydrophobicContact CD1-CE2 4.07Å; L77-F82 HydrophobicContact CD1-CZ 4.09Å; L77-F82 HydrophobicContact CD2-CE2 4.18Å; L77-F82 HydrophobicContact CD2-CZ 4.29Å; L77-F82 HydrophobicContact CG-CE2 4.3Å; L77-L85 HydrophobicContact CD1-CD2 3.83Å; L77-N99 CarbonylContact C-O 3.56Å; L77-N99 WeakPolarHBondContact CA-O 3.5Å; L77-N99 PolarHBondContact N-O 2.99Å; L77-L100 HydrophobicContact CB-CD2 3.98Å; L77-L100 HydrophobicContact CD1-CD2 3.75Å; L77-L100 HydrophobicContact CG-CD2 4.24Å; L77-N103 PolarHBondContact O-ND2 2.9Å
78Q98.4Very high96.3Very high62 Ų6247.5 Ų47.529%0.2924%0.243SC..THydrogen-bonded Turntrans-53.4148.3-178177.9-172.1-44.100112.3A54 D55 D76 N80 N99 A101A54-Q78 CarbonylContact C-O 3.49Å; A54-Q78 WeakPolarHBondContact CA-O 3.45Å; A54-Q78 HydrophobicContact CB-CB 4.28Å; D55-Q78 PolarHBondContact N-O 3.28Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.3Å; D76-Q78 PolarHBondContact OD1-N 2.82Å; Q78-N80 VanDerWaalsContact C-N 3.31Å; Q78-N80 PolarHBondContact O-N 2.94Å; Q78-N80 PolarHBondContact O-ND2 2.93Å; Q78-N80 VanDerWaalsContact O-ND2 3.14Å; Q78-N99 PolarHBondContact N-O 3.03Å; Q78-N99 PolarHBondContact OE1-ND2 2.98Å; Q78-N99 VanDerWaalsContact OE1-ND2 3.09Å; Q78-A101 CarbonylContact C-O 3.3Å; Q78-A101 WeakPolarHBondContact CA-O 3.47Å; Q78-A101 HydrophobicContact CG-CB 4.2Å
79G97.8Very high96.5Very high21 Ų2146.4 Ų46.422%0.21624%0.236CC..THydrogen-bonded Turntrans68.234.1166.400000112.7D55 N56 A101 N102D55-G79 WeakPolarHBondContact CA-O 3.42Å; N56-G79 VanDerWaalsContact O-O 3.14Å; G79-A101 PolarHBondContact N-O 2.82Å; G79-N102 VanDerWaalsContact CA-O 3.3Å; G79-N102 WeakPolarHBondContact CA-O 3.49Å; G79-N102 PolarHBondContact N-O 3.05Å
80N98.1Very high96.5Very high8 Ų847.1 Ų47.14%0.04324%0.243CC..SBendtrans-112.9-163.2175.4-82.9-79.4000109.7L53 N56 K57 M58 L77 Q78 F82 N102 N103L53-N80 PolarHBondContact O-ND2 2.84Å; N56-N80 WeakPolarHBondContact CA-OD1 3.48Å; N56-N80 WeakPolarHBondContact CB-OD1 3.46Å; N56-N80 PolarHBondContact O-OD1 3.49Å; K57-N80 PolarHBondContact N-OD1 2.89Å; M58-N80 HydrophobicContact CB-CB 4.5Å; M58-N80 VanDerWaalsContact CB-OD1 3.3Å; M58-N80 WeakPolarHBondContact CB-OD1 3.38Å; M58-N80 PolarHBondContact N-OD1 2.75Å; L77-N80 PolarHBondContact O-ND2 2.78Å; Q78-N80 VanDerWaalsContact C-N 3.31Å; Q78-N80 PolarHBondContact O-N 2.94Å; Q78-N80 PolarHBondContact O-ND2 2.93Å; Q78-N80 VanDerWaalsContact O-ND2 3.14Å; N80-F82 HydrophobicContact CB-CD2 3.49Å; N80-F82 VanDerWaalsContact CB-CD2 3.49Å; N80-F82 HydrophobicContact CB-CE2 3.7Å; N80-N102 PolarHBondContact N-O 2.66Å; N80-N103 WeakPolarHBondContact CA-OD1 3.35Å; N80-N103 WeakPolarHBondContact CB-OD1 3.47Å; N80-N103 PolarHBondContact N-OD1 2.98Å; N80-N103 PolarHBondContact O-OD1 3.36Å
81I97.2Very high96.5Very high67 Ų6750.4 Ų50.434%0.34425%0.254SS..  trans-127.737.1179.852.9176000110.6K57 M58 K59 N103K57-I81 WeakPolarHBondContact O-CD1 3.47Å; M58-I81 CarbonylContact O-C 3.48Å; M58-I81 VanDerWaalsContact O-C 3.3Å; M58-I81 WeakPolarHBondContact O-CG1 3.45Å; M58-I81 PolarHBondContact O-N 3.26Å; K59-I81 HydrophobicContact CB-CG1 4.46Å; K59-I81 HydrophobicContact CD-CD1 4.02Å; K59-I81 HydrophobicContact CG-CD1 3.34Å; K59-I81 HydrophobicContact CG-CG1 3.53Å; I81-N103 PolarHBondContact N-OD1 2.83Å
82F97.6Very high96.5Very high0 Ų047.9 Ų47.90%024%0.242CC..  trans-68.9134.8175.6-73.9-85.1000110.7M58 A60 I61 L77 N80 L85 N103 S104 F105M58-F82 HydrophobicContact CB-CE2 3.69Å; M58-F82 HydrophobicContact CB-CZ 3.69Å; M58-F82 HydrophobicContact CE-CZ 4.01Å; M58-F82 PolarHBondContact O-N 2.99Å; A60-F82 VanDerWaalsContact C-CE1 3.43Å; I61-F82 HydrophobicContact CB-CE1 3.88Å; I61-F82 HydrophobicContact CB-CZ 4.14Å; I61-F82 HydrophobicContact CG2-CE1 3.94Å; I61-F82 HydrophobicContact CG2-CZ 4.48Å; L77-F82 HydrophobicContact CB-CD2 4.27Å; L77-F82 HydrophobicContact CB-CE2 3.98Å; L77-F82 HydrophobicContact CD1-CD2 4.48Å; L77-F82 HydrophobicContact CD1-CE2 4.07Å; L77-F82 HydrophobicContact CD1-CZ 4.09Å; L77-F82 HydrophobicContact CD2-CE2 4.18Å; L77-F82 HydrophobicContact CD2-CZ 4.29Å; L77-F82 HydrophobicContact CG-CE2 4.3Å; N80-F82 HydrophobicContact CB-CD2 3.49Å; N80-F82 VanDerWaalsContact CB-CD2 3.49Å; N80-F82 HydrophobicContact CB-CE2 3.7Å; F82-L85 HydrophobicContact CD1-CD2 4.31Å; F82-N103 HydrophobicContact CB-CB 4.45Å; F82-N103 WeakPolarHBondContact CB-OD1 3.37Å; F82-N103 WeakPolarHBondContact CD2-OD1 3.41Å; F82-N103 PolarHBondContact N-OD1 3.26Å; F82-S104 CarbonylContact O-C 3.41Å; F82-S104 WeakPolarHBondContact O-CA 3.2Å; F82-S104 PolarHBondContact O-N 2.84Å; F82-F105 HydrophobicContact CB-CE2 3.62Å; F82-F105 HydrophobicContact CB-CZ 3.6Å; F82-F105 PolarHBondContact O-N 3.38Å
83T96.5Very high96.2Very high82 Ų8254.9 Ų54.950%0.50328%0.275SS..SBendtrans-110.6-19.5171.257.60000112.4F105T83-F105 WeakPolarHBondContact O-CD1 3.49Å
84K96.1Very high96.2Very high156 Ų15652.8 Ų52.868%0.67827%0.269SS*.  trans-154.9157.6176.962.7177.5-176.5172.50110.4
85L96Very high96.2Very high16 Ų1648.5 Ų48.58%0.08425%0.249CC..  trans-101.9154.8164.6-64.6177.7000109I61 L77 F82 V89 I98 L100 F105 P109 L112I61-L85 HydrophobicContact CG2-CD2 4.31Å; L77-L85 HydrophobicContact CD1-CD2 3.83Å; F82-L85 HydrophobicContact CD1-CD2 4.31Å; L85-V89 HydrophobicContact CB-CG1 4.17Å; L85-V89 HydrophobicContact CD1-CG1 4.42Å; L85-V89 HydrophobicContact CD1-CG2 4.19Å; L85-I98 HydrophobicContact CD1-CD1 4.06Å; L85-L100 HydrophobicContact CD1-CD1 3.96Å; L85-L100 HydrophobicContact CD1-CD2 4.18Å; L85-L100 HydrophobicContact CD2-CD2 4.46Å; L85-F105 HydrophobicContact CD2-CZ 4.13Å; L85-F105 HydrophobicContact CG-CE1 4.07Å; L85-F105 HydrophobicContact CG-CZ 3.9Å; L85-P109 HydrophobicContact CD1-CB 4.28Å; L85-P109 HydrophobicContact CD1-CG 4.48Å; L85-L112 HydrophobicContact CD1-CD2 4.18Å
86P94.9Very high96.2Very high30 Ų3049.8 Ų49.820%0.19526%0.257CS..  trans-71.1158.9170.436.1-38.8000110.2I61 F66 E88 V89I61-P86 HydrophobicContact CG2-CG 4.12Å; F66-P86 HydrophobicContact CD2-CG 3.86Å; F66-P86 HydrophobicContact CE2-CG 3.37Å; F66-P86 HydrophobicContact CZ-CG 4.45Å; P86-E88 WeakPolarHBondContact CB-OE2 3.18Å; P86-E88 PolarHBondContact O-N 3.47Å; P86-V89 VanDerWaalsContact O-CG1 3.29Å; P86-V89 WeakPolarHBondContact O-CG1 3.49Å; P86-V89 PolarHBondContact O-N 2.95Å
87D94.3Very high96.2Very high110 Ų11049.2 Ų49.259%0.58826%0.257SS*.G310 helixtrans-66.6-27.9-171.7-71.3-14.4000112.7V89 G90 K111D87-V89 PolarHBondContact O-N 2.99Å; D87-G90 PolarHBondContact O-N 3Å; D87-K111 HydrophobicContact CB-CD 4.44Å; D87-K111 HydrophobicContact CB-CG 4.25Å
88E95.3Very high96.2Very high61 Ų6149.3 Ų49.329%0.28526%0.257SS..G310 helixtrans-65.2-8.6179.4-60.889.4155.300113.4S63 F66 P86 G90 E91S63-E88 WeakPolarHBondContact CB-OE1 3.29Å; S63-E88 WeakPolarHBondContact CB-OE2 3.43Å; F66-E88 HydrophobicContact CB-CB 4.41Å; F66-E88 HydrophobicContact CD2-CB 4.46Å; P86-E88 WeakPolarHBondContact CB-OE2 3.18Å; P86-E88 PolarHBondContact O-N 3.47Å; E88-G90 PolarHBondContact O-N 2.82Å; E88-E91 WeakPolarHBondContact O-CB 3.24Å; E88-E91 PolarHBondContact O-N 2.98Å; E88-E91 VanDerWaalsContact O-N 3.08Å
89V95Very high96.2Very high1 Ų147.8 Ų47.81%0.00625%0.251CS..G310 helixtrans-59-31.5167.771.90000111.5F66 L85 P86 D87 E91 V92 K111 L112 I115F66-V89 HydrophobicContact CD1-CG2 4.44Å; F66-V89 HydrophobicContact CE1-CB 4.08Å; F66-V89 HydrophobicContact CE1-CG2 3.74Å; F66-V89 HydrophobicContact CE2-CB 4.2Å; F66-V89 HydrophobicContact CZ-CB 3.89Å; F66-V89 HydrophobicContact CZ-CG2 3.86Å; L85-V89 HydrophobicContact CB-CG1 4.17Å; L85-V89 HydrophobicContact CD1-CG1 4.42Å; L85-V89 HydrophobicContact CD1-CG2 4.19Å; P86-V89 VanDerWaalsContact O-CG1 3.29Å; P86-V89 WeakPolarHBondContact O-CG1 3.49Å; P86-V89 PolarHBondContact O-N 2.95Å; D87-V89 PolarHBondContact O-N 2.99Å; V89-E91 PolarHBondContact O-N 3.14Å; V89-V92 WeakPolarHBondContact O-CG2 3.45Å; V89-V92 PolarHBondContact O-N 3.16Å; V89-K111 HydrophobicContact CG1-CB 3.76Å; V89-L112 HydrophobicContact CG1-CD2 4.09Å; V89-L112 HydrophobicContact CG2-CD2 3.67Å; V89-I115 HydrophobicContact CG2-CD1 4.45Å; V89-I115 VanDerWaalsContact O-CD1 3.23Å; V89-I115 WeakPolarHBondContact O-CD1 3.37Å
90G92.8Very high96.2Very high14 Ų1446.8 Ų46.814%0.14424%0.241CC..G310 helixtrans-67.1-15.7176.800000113.9D87 E88 V92 K111D87-G90 PolarHBondContact O-N 3Å; E88-G90 PolarHBondContact O-N 2.82Å; G90-V92 VanDerWaalsContact C-N 3.35Å; G90-K111 WeakPolarHBondContact CA-O 3.16Å
91E92.8Very high96.2Very high138 Ų13846.6 Ų46.665%0.64524%0.24SC*.G310 helixtrans-86.8-3.9-179.4-57.7-179.6175.700112.8E88 V89 E93E88-E91 WeakPolarHBondContact O-CB 3.24Å; E88-E91 PolarHBondContact O-N 2.98Å; E88-E91 VanDerWaalsContact O-N 3.08Å; V89-E91 PolarHBondContact O-N 3.14Å; E91-E93 PolarHBondContact O-N 3.5Å
92V94.2Very high96.3Very high4 Ų447.2 Ų47.22%0.02424%0.244CC..  trans-82.980-178.1-166.30000110.5F66 L72 V89 G90 H94 L95 I115F66-V92 HydrophobicContact CB-CG2 3.99Å; F66-V92 HydrophobicContact CD1-CG2 3.41Å; F66-V92 VanDerWaalsContact CD1-CG2 3.41Å; F66-V92 HydrophobicContact CE1-CG2 4.24Å; F66-V92 HydrophobicContact CG-CG2 4.05Å; L72-V92 HydrophobicContact CB-CG1 3.99Å; V89-V92 WeakPolarHBondContact O-CG2 3.45Å; V89-V92 PolarHBondContact O-N 3.16Å; G90-V92 VanDerWaalsContact C-N 3.35Å; V92-H94 PolarHBondContact O-N 2.93Å; V92-L95 HydrophobicContact CB-CB 4.15Å; V92-L95 HydrophobicContact CG1-CB 3.83Å; V92-L95 PolarHBondContact O-N 3.38Å; V92-L95 VanDerWaalsContact O-N 3.15Å; V92-I115 WeakPolarHBondContact O-CG2 3.49Å
93E92.4Very high96.3Very high146 Ų14647.7 Ų47.768%0.68225%0.246SC*.THydrogen-bonded Turntrans-61.4-12.2-171.5-60.5-175168.400116E91 T117E91-E93 PolarHBondContact O-N 3.5Å; E93-T117 WeakPolarHBondContact O-CG2 3.5Å; E93-T117 PolarHBondContact O-OG1 3.02Å; E93-T117 VanDerWaalsContact O-OG1 3.11Å
94H96.8Very high96.4Very high59 Ų5946.3 Ų46.327%0.27324%0.24SC..THydrogen-bonded Turntrans-111.10.4-177.6-61.3-35.5000113.6T70 Q71 L72 R73 V92 T96T70-H94 PolarHBondContact O-CD2 2.88Å; Q71-H94 PolarHBondContact NE2-CD2 3.25Å; Q71-H94 PolarHBondContact NE2-NE2 3.38Å; L72-H94 CarbonylContact O-C 3.51Å; R73-H94 WeakPolarHBondContact CA-O 3.3Å; V92-H94 PolarHBondContact O-N 2.93Å; H94-T96 PolarHBondContact O-N 2.96Å
95L98.1Very high96.4Very high0 Ų038.9 Ų38.90%021%0.208CC..  trans-69.8123.9-177.2-166.372.6000109.9L72 L75 V92 I98 I115 T117 L118L72-L95 HydrophobicContact CD2-CD1 4.12Å; L72-L95 HydrophobicContact CG-CD1 3.96Å; L72-L95 WeakPolarHBondContact O-CA 3.47Å; L72-L95 PolarHBondContact O-N 2.87Å; L75-L95 HydrophobicContact CB-CD1 3.94Å; V92-L95 HydrophobicContact CB-CB 4.15Å; V92-L95 HydrophobicContact CG1-CB 3.83Å; V92-L95 PolarHBondContact O-N 3.38Å; V92-L95 VanDerWaalsContact O-N 3.15Å; L95-I98 HydrophobicContact CD2-CB 4.21Å; L95-I98 HydrophobicContact CD2-CD1 4.32Å; L95-I115 HydrophobicContact CB-CG2 4.18Å; L95-I115 HydrophobicContact CD2-CD1 3.91Å; L95-T117 PolarHBondContact N-OG1 3.33Å; L95-T117 CarbonylContact O-C 3.42Å; L95-T117 VanDerWaalsContact O-C 3.25Å; L95-T117 PolarHBondContact O-OG1 2.96Å; L95-L118 HydrophobicContact CB-CD1 4.48Å; L95-L118 HydrophobicContact CD2-CD1 4.04Å; L95-L118 HydrophobicContact CG-CD1 3.96Å; L95-L118 WeakPolarHBondContact O-CA 3.48Å; L95-L118 PolarHBondContact O-N 3.33Å
96T98.4Very high96.4Very high31 Ų3141.1 Ų41.119%0.1923%0.225CC..  trans-112.3-25.8-178.757.20000112.6R73 H94 E119 R120R73-T96 PolarHBondContact O-N 3.19Å; R73-T96 PolarHBondContact O-OG1 3.22Å; H94-T96 PolarHBondContact O-N 2.96Å; T96-E119 WeakPolarHBondContact O-CA 3.3Å; T96-E119 WeakPolarHBondContact O-CB 3.3Å; T96-E119 PolarHBondContact O-N 3.41Å; T96-R120 PolarHBondContact O-N 3.43Å
97S98.6Very high96.4Very high28 Ų2845.1 Ų45.120%0.19624%0.243CC..EExtended strand (participates in β ladder)trans-140.7134.4-179.3-168.40000110.6R73 E74 L75 R120R73-S97 PolarHBondContact O-N 3.46Å; E74-S97 WeakPolarHBondContact CA-O 2.9Å; L75-S97 PolarHBondContact N-O 2.77Å; S97-R120 WeakPolarHBondContact CA-O 3.48Å
98I98.5Very high96.5Very high1 Ų140.1 Ų40.11%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-133.7128.9170.7-165.5173.9000110.7L75 L85 L95 L100 L112 L118 R120 I121 D122L75-I98 HydrophobicContact CB-CG1 4.29Å; L75-I98 HydrophobicContact CD2-CD1 4.3Å; L75-I98 CarbonylContact O-C 3.17Å; L75-I98 WeakPolarHBondContact O-CA 3.3Å; L85-I98 HydrophobicContact CD1-CD1 4.06Å; L95-I98 HydrophobicContact CD2-CB 4.21Å; L95-I98 HydrophobicContact CD2-CD1 4.32Å; I98-L100 HydrophobicContact CD1-CD1 4.18Å; I98-L100 HydrophobicContact CD1-CD2 3.93Å; I98-L100 HydrophobicContact CD1-CG 4.1Å; I98-L100 HydrophobicContact CG1-CD2 4.04Å; I98-L100 HydrophobicContact CG1-CG 4.04Å; I98-L112 HydrophobicContact CD1-CD1 4.32Å; I98-L112 HydrophobicContact CD1-CD2 3.78Å; I98-L112 HydrophobicContact CG2-CD1 3.96Å; I98-L118 HydrophobicContact CB-CD1 4.41Å; I98-L118 HydrophobicContact CG2-CD1 4.1Å; I98-L118 HydrophobicContact CG2-CD2 4.18Å; I98-R120 PolarHBondContact N-O 3.33Å; I98-I121 HydrophobicContact CG2-CB 4.39Å; I98-I121 HydrophobicContact CG2-CG1 4.19Å; I98-I121 HydrophobicContact CG2-CG2 4.17Å; I98-D122 PolarHBondContact O-N 2.93Å
99N98.6Very high96.5Very high31 Ų3138 Ų3817%0.16621%0.208CC..EExtended strand (participates in β ladder)trans-108.8114173.8-175.2-0.9000109.8L75 D76 L77 Q78 A101 D122L75-N99 PolarHBondContact O-N 3.28Å; D76-N99 HydrophobicContact CB-CB 4.37Å; D76-N99 PolarHBondContact OD1-ND2 3.08Å; L77-N99 CarbonylContact C-O 3.56Å; L77-N99 WeakPolarHBondContact CA-O 3.5Å; L77-N99 PolarHBondContact N-O 2.99Å; Q78-N99 PolarHBondContact N-O 3.03Å; Q78-N99 PolarHBondContact OE1-ND2 2.98Å; Q78-N99 VanDerWaalsContact OE1-ND2 3.09Å; N99-A101 WeakPolarHBondContact OD1-CB 3.45Å; N99-A101 PolarHBondContact OD1-N 3.16Å; N99-D122 HydrophobicContact CB-CB 4.42Å
100L98.4Very high96.5Very high0 Ų042.3 Ų42.30%023%0.228CC..  trans-117.815.9176.6-58.2177.1000111.1L77 L85 I98 N103 F105 P109 L112 D122 L123 N126L77-L100 HydrophobicContact CB-CD2 3.98Å; L77-L100 HydrophobicContact CD1-CD2 3.75Å; L77-L100 HydrophobicContact CG-CD2 4.24Å; L85-L100 HydrophobicContact CD1-CD1 3.96Å; L85-L100 HydrophobicContact CD1-CD2 4.18Å; L85-L100 HydrophobicContact CD2-CD2 4.46Å; I98-L100 HydrophobicContact CD1-CD1 4.18Å; I98-L100 HydrophobicContact CD1-CD2 3.93Å; I98-L100 HydrophobicContact CD1-CG 4.1Å; I98-L100 HydrophobicContact CG1-CD2 4.04Å; I98-L100 HydrophobicContact CG1-CG 4.04Å; L100-N103 WeakPolarHBondContact O-CB 3.32Å; L100-N103 PolarHBondContact O-ND2 3.07Å; L100-F105 HydrophobicContact CB-CD2 4.44Å; L100-F105 HydrophobicContact CB-CE2 4Å; L100-F105 HydrophobicContact CD1-CE2 4.14Å; L100-F105 HydrophobicContact CD1-CZ 4.13Å; L100-F105 HydrophobicContact CD2-CE2 4.17Å; L100-F105 HydrophobicContact CD2-CZ 4.27Å; L100-F105 HydrophobicContact CG-CE2 4.34Å; L100-P109 HydrophobicContact CD1-CG 3.93Å; L100-L112 HydrophobicContact CD1-CD1 3.97Å; L100-D122 CarbonylContact C-O 3.55Å; L100-D122 WeakPolarHBondContact CA-O 3.34Å; L100-D122 WeakPolarHBondContact CB-O 3.33Å; L100-D122 PolarHBondContact N-O 3.38Å; L100-L123 HydrophobicContact CB-CD2 3.77Å; L100-L123 HydrophobicContact CD1-CD2 3.77Å; L100-L123 HydrophobicContact CG-CD2 4.39Å; L100-N126 PolarHBondContact O-ND2 3.23Å
101A98.4Very high96.6Very high3 Ų344.6 Ų44.63%0.02523%0.234CC..  trans-60151-177.600000112Q78 G79 N99 N103 D122 E124Q78-A101 CarbonylContact C-O 3.3Å; Q78-A101 WeakPolarHBondContact CA-O 3.47Å; Q78-A101 HydrophobicContact CG-CB 4.2Å; G79-A101 PolarHBondContact N-O 2.82Å; N99-A101 WeakPolarHBondContact OD1-CB 3.45Å; N99-A101 PolarHBondContact OD1-N 3.16Å; A101-N103 PolarHBondContact O-N 2.94Å; A101-N103 PolarHBondContact O-ND2 2.63Å; A101-D122 PolarHBondContact N-O 3.26Å; A101-E124 CarbonylContact C-O 3.59Å; A101-E124 WeakPolarHBondContact CA-O 3.33Å; A101-E124 HydrophobicContact CB-CB 4.13Å
102N98.2Very high96.8Very high81 Ų8138 Ų3843%0.43320%0.203SC..SBendtrans5352.9178.5-57.8-53.2000112.5G79 N80 E124 G125G79-N102 VanDerWaalsContact CA-O 3.3Å; G79-N102 WeakPolarHBondContact CA-O 3.49Å; G79-N102 PolarHBondContact N-O 3.05Å; N80-N102 PolarHBondContact N-O 2.66Å; N102-E124 PolarHBondContact N-O 3.04Å; N102-G125 WeakPolarHBondContact CA-O 3.32Å
103N98.3Very high96.9Very high10 Ų1039 Ų395%0.05321%0.209CC..SBendtrans-119.3-157.8173.3-86.1-78.8000109.8L77 N80 I81 F82 L100 A101 F105 N126L77-N103 PolarHBondContact O-ND2 2.9Å; N80-N103 WeakPolarHBondContact CA-OD1 3.35Å; N80-N103 WeakPolarHBondContact CB-OD1 3.47Å; N80-N103 PolarHBondContact N-OD1 2.98Å; N80-N103 PolarHBondContact O-OD1 3.36Å; I81-N103 PolarHBondContact N-OD1 2.83Å; F82-N103 HydrophobicContact CB-CB 4.45Å; F82-N103 WeakPolarHBondContact CB-OD1 3.37Å; F82-N103 WeakPolarHBondContact CD2-OD1 3.41Å; F82-N103 PolarHBondContact N-OD1 3.26Å; L100-N103 WeakPolarHBondContact O-CB 3.32Å; L100-N103 PolarHBondContact O-ND2 3.07Å; A101-N103 PolarHBondContact O-N 2.94Å; A101-N103 PolarHBondContact O-ND2 2.63Å; N103-F105 HydrophobicContact CB-CD2 3.67Å; N103-F105 HydrophobicContact CB-CE2 3.79Å; N103-N126 VanDerWaalsContact CA-OD1 3.3Å; N103-N126 WeakPolarHBondContact CA-OD1 3.11Å; N103-N126 WeakPolarHBondContact CB-OD1 3.42Å; N103-N126 PolarHBondContact N-OD1 3.45Å; N103-N126 PolarHBondContact O-OD1 3.39Å
104S97.5Very high97Very high52 Ų5237.3 Ų37.336%0.36420%0.201SC..  trans-127.633.7-179-58.20000112F82 S106 N126F82-S104 CarbonylContact O-C 3.41Å; F82-S104 WeakPolarHBondContact O-CA 3.2Å; F82-S104 PolarHBondContact O-N 2.84Å; S104-S106 PolarHBondContact O-N 2.82Å; S104-N126 PolarHBondContact N-OD1 2.84Å
105F97.7Very high97Very high1 Ų134.6 Ų34.60%0.00419%0.188CC..  trans-67.8120.6175.5-71-86.2000109.9F82 T83 L85 L100 N103 P109 L123 N126 S127 I128F82-F105 HydrophobicContact CB-CE2 3.62Å; F82-F105 HydrophobicContact CB-CZ 3.6Å; F82-F105 PolarHBondContact O-N 3.38Å; T83-F105 WeakPolarHBondContact O-CD1 3.49Å; L85-F105 HydrophobicContact CD2-CZ 4.13Å; L85-F105 HydrophobicContact CG-CE1 4.07Å; L85-F105 HydrophobicContact CG-CZ 3.9Å; L100-F105 HydrophobicContact CB-CD2 4.44Å; L100-F105 HydrophobicContact CB-CE2 4Å; L100-F105 HydrophobicContact CD1-CE2 4.14Å; L100-F105 HydrophobicContact CD1-CZ 4.13Å; L100-F105 HydrophobicContact CD2-CE2 4.17Å; L100-F105 HydrophobicContact CD2-CZ 4.27Å; L100-F105 HydrophobicContact CG-CE2 4.34Å; N103-F105 HydrophobicContact CB-CD2 3.67Å; N103-F105 HydrophobicContact CB-CE2 3.79Å; F105-P109 HydrophobicContact CE1-CB 4.4Å; F105-P109 HydrophobicContact CE1-CG 4.45Å; F105-L123 HydrophobicContact CD2-CD2 4.47Å; F105-N126 HydrophobicContact CB-CB 4.27Å; F105-N126 WeakPolarHBondContact CD2-OD1 3.32Å; F105-N126 PolarHBondContact N-OD1 3.3Å; F105-S127 CarbonylContact O-C 3.2Å; F105-S127 VanDerWaalsContact O-CA 3.29Å; F105-S127 WeakPolarHBondContact O-CA 3.43Å; F105-S127 PolarHBondContact O-N 3.45Å; F105-I128 HydrophobicContact CB-CD1 4.22Å; F105-I128 HydrophobicContact CB-CG1 4.15Å; F105-I128 WeakPolarHBondContact O-CG1 3.33Å; F105-I128 PolarHBondContact O-N 3.09Å
106S95.5Very high96.8Very high63 Ų6337.5 Ų37.544%0.44121%0.213SC..SBendtrans-91.8-19.717359.30000112.9S104 S127S104-S106 PolarHBondContact O-N 2.82Å; S106-S127 WeakPolarHBondContact CA-O 3.25Å
107I94.9Very high96.8Very high114 Ų11438.4 Ų38.459%0.58522%0.218SC*.SBendtrans-133.5146.2180-55.2172.3000106.9
108F95.9Very high96.8Very high5 Ų537.1 Ų37.12%0.02221%0.209CC..  trans-58.7132.7171.3-176.4-84.3000111E110 L112 T113 I121 L123 L131 P132 L136F108-E110 PolarHBondContact O-N 2.78Å; F108-L112 HydrophobicContact CE1-CB 4.25Å; F108-L112 HydrophobicContact CZ-CB 4.21Å; F108-L112 HydrophobicContact CZ-CD1 4.43Å; F108-T113 HydrophobicContact CE1-CG2 3.71Å; F108-T113 HydrophobicContact CZ-CG2 4.29Å; F108-I121 HydrophobicContact CE2-CD1 4.45Å; F108-I121 HydrophobicContact CE2-CG2 4.44Å; F108-I121 HydrophobicContact CZ-CD1 4.07Å; F108-L123 HydrophobicContact CD2-CD1 3.4Å; F108-L123 VanDerWaalsContact CD2-CD1 3.4Å; F108-L123 HydrophobicContact CE2-CD1 3.44Å; F108-L123 VanDerWaalsContact CE2-CD1 3.44Å; F108-L131 HydrophobicContact CB-CD2 4.16Å; F108-L131 HydrophobicContact CD2-CD2 3.78Å; F108-L131 HydrophobicContact CG-CD2 4.33Å; F108-P132 HydrophobicContact CB-CG 4.33Å; F108-P132 HydrophobicContact CD1-CG 3.54Å; F108-P132 HydrophobicContact CE1-CG 4.07Å; F108-P132 HydrophobicContact CG-CG 3.98Å; F108-L136 HydrophobicContact CE1-CD2 4.35Å; F108-L136 HydrophobicContact CE2-CD2 3.95Å; F108-L136 HydrophobicContact CZ-CD2 3.67Å
109P95.4Very high96.8Very high16 Ų1639.4 Ų39.410%0.10422%0.22CC..  trans-70.988.4174.929.5-34.7000110.7L85 L100 F105 K111 L112L85-P109 HydrophobicContact CD1-CB 4.28Å; L85-P109 HydrophobicContact CD1-CG 4.48Å; L100-P109 HydrophobicContact CD1-CG 3.93Å; F105-P109 HydrophobicContact CE1-CB 4.4Å; F105-P109 HydrophobicContact CE1-CG 4.45Å; P109-K111 PolarHBondContact O-N 3.16Å; P109-L112 HydrophobicContact CB-CD1 4.38Å; P109-L112 HydrophobicContact CB-CG 4.23Å; P109-L112 HydrophobicContact CG-CD1 3.51Å; P109-L112 HydrophobicContact CG-CG 3.88Å; P109-L112 WeakPolarHBondContact O-CB 3.29Å; P109-L112 WeakPolarHBondContact O-CG 3.28Å; P109-L112 PolarHBondContact O-N 2.93Å
110E94.6Very high96.7Very high91 Ų9143.7 Ų43.743%0.42523%0.234SC..G310 helixtrans-55.3-27.9-170.5-63.6-158.5152.500114.6F108 L112 T113 P132 K135F108-E110 PolarHBondContact O-N 2.78Å; E110-L112 PolarHBondContact O-N 3.14Å; E110-T113 WeakPolarHBondContact O-CB 3.24Å; E110-T113 WeakPolarHBondContact O-CG2 3.42Å; E110-T113 PolarHBondContact O-N 2.84Å; E110-T113 PolarHBondContact O-OG1 3.33Å; E110-P132 HydrophobicContact CG-CG 4.48Å; E110-K135 IonicContact OE1-NZ 2.71Å; E110-K135 IonicContact OE2-NZ 3.78Å; E110-K135 PolarHBondContact OE2-NZ 3.28Å
111K95.9Very high96.7Very high63 Ų6343.7 Ų43.727%0.27423%0.234SC..G310 helixtrans-62.1-20.4177.3-67.4-65.4-169.4179.40114.2D87 V89 G90 P109 T113 E114D87-K111 HydrophobicContact CB-CD 4.44Å; D87-K111 HydrophobicContact CB-CG 4.25Å; V89-K111 HydrophobicContact CG1-CB 3.76Å; G90-K111 WeakPolarHBondContact CA-O 3.16Å; P109-K111 PolarHBondContact O-N 3.16Å; K111-T113 PolarHBondContact O-N 2.78Å; K111-E114 VanDerWaalsContact CD-CD 3.5Å; K111-E114 VanDerWaalsContact CD-OE1 3.3Å; K111-E114 WeakPolarHBondContact CD-OE1 3.24Å; K111-E114 WeakPolarHBondContact CD-OE2 3.39Å; K111-E114 VanDerWaalsContact NZ-CD 3.28Å; K111-E114 IonicContact NZ-OE1 2.66Å; K111-E114 PolarHBondContact NZ-OE1 2.89Å; K111-E114 IonicContact NZ-OE2 2.69Å; K111-E114 PolarHBondContact NZ-OE2 2.94Å; K111-E114 PolarHBondContact O-N 2.86Å
112L96.4Very high96.7Very high0 Ų044.8 Ų44.80%024%0.239CC..G310 helixtrans-63.8-25.3169.6-63.1-172.9000113L85 V89 I98 L100 F108 P109 E110 E114 I115 L118 I121L85-L112 HydrophobicContact CD1-CD2 4.18Å; V89-L112 HydrophobicContact CG1-CD2 4.09Å; V89-L112 HydrophobicContact CG2-CD2 3.67Å; I98-L112 HydrophobicContact CD1-CD1 4.32Å; I98-L112 HydrophobicContact CD1-CD2 3.78Å; I98-L112 HydrophobicContact CG2-CD1 3.96Å; L100-L112 HydrophobicContact CD1-CD1 3.97Å; F108-L112 HydrophobicContact CE1-CB 4.25Å; F108-L112 HydrophobicContact CZ-CB 4.21Å; F108-L112 HydrophobicContact CZ-CD1 4.43Å; P109-L112 HydrophobicContact CB-CD1 4.38Å; P109-L112 HydrophobicContact CB-CG 4.23Å; P109-L112 HydrophobicContact CG-CD1 3.51Å; P109-L112 HydrophobicContact CG-CG 3.88Å; P109-L112 WeakPolarHBondContact O-CB 3.29Å; P109-L112 WeakPolarHBondContact O-CG 3.28Å; P109-L112 PolarHBondContact O-N 2.93Å; E110-L112 PolarHBondContact O-N 3.14Å; L112-E114 PolarHBondContact O-N 2.95Å; L112-I115 HydrophobicContact CD2-CD1 4.02Å; L112-I115 PolarHBondContact O-N 3.44Å; L112-L118 HydrophobicContact CB-CD2 3.97Å; L112-L118 HydrophobicContact CD2-CD2 4.46Å; L112-I121 HydrophobicContact CD1-CG2 4.28Å
113T95.6Very high96.7Very high24 Ų2440.9 Ų40.915%0.14722%0.218CC..G310 helixtrans-73.5-13.6178.667.80000113.4F108 E110 K111 I115 P132 K135 L136 M139F108-T113 HydrophobicContact CE1-CG2 3.71Å; F108-T113 HydrophobicContact CZ-CG2 4.29Å; E110-T113 WeakPolarHBondContact O-CB 3.24Å; E110-T113 WeakPolarHBondContact O-CG2 3.42Å; E110-T113 PolarHBondContact O-N 2.84Å; E110-T113 PolarHBondContact O-OG1 3.33Å; K111-T113 PolarHBondContact O-N 2.78Å; T113-I115 VanDerWaalsContact C-N 3.31Å; T113-P132 HydrophobicContact CG2-CG 4.31Å; T113-K135 HydrophobicContact CG2-CB 3.83Å; T113-L136 HydrophobicContact CG2-CD2 4.17Å; T113-L136 HydrophobicContact CG2-CG 4.49Å; T113-M139 HydrophobicContact CG2-SD 4.19Å
114E95.4Very high96.7Very high110 Ų11043 Ų4351%0.51423%0.228SC..G310 helixtrans-81.5-14.8176.5-61.3177.6-174.800111.7K111 L112 A116K111-E114 VanDerWaalsContact CD-CD 3.5Å; K111-E114 VanDerWaalsContact CD-OE1 3.3Å; K111-E114 WeakPolarHBondContact CD-OE1 3.24Å; K111-E114 WeakPolarHBondContact CD-OE2 3.39Å; K111-E114 VanDerWaalsContact NZ-CD 3.28Å; K111-E114 IonicContact NZ-OE1 2.66Å; K111-E114 PolarHBondContact NZ-OE1 2.89Å; K111-E114 IonicContact NZ-OE2 2.69Å; K111-E114 PolarHBondContact NZ-OE2 2.94Å; K111-E114 PolarHBondContact O-N 2.86Å; L112-E114 PolarHBondContact O-N 2.95Å; E114-A116 PolarHBondContact O-N 3.18Å
115I96.2Very high96.7Very high2 Ų241.5 Ų41.51%0.0122%0.221CC..  trans-84.297.3-177.8-50.5175.6000109.9V89 V92 L95 L112 T113 T117 L118V89-I115 HydrophobicContact CG2-CD1 4.45Å; V89-I115 VanDerWaalsContact O-CD1 3.23Å; V89-I115 WeakPolarHBondContact O-CD1 3.37Å; V92-I115 WeakPolarHBondContact O-CG2 3.49Å; L95-I115 HydrophobicContact CB-CG2 4.18Å; L95-I115 HydrophobicContact CD2-CD1 3.91Å; L112-I115 HydrophobicContact CD2-CD1 4.02Å; L112-I115 PolarHBondContact O-N 3.44Å; T113-I115 VanDerWaalsContact C-N 3.31Å; I115-T117 PolarHBondContact O-N 3.14Å; I115-T117 VanDerWaalsContact O-N 3.12Å; I115-L118 HydrophobicContact CB-CB 3.99Å; I115-L118 HydrophobicContact CD1-CD2 4.37Å; I115-L118 HydrophobicContact CG2-CB 3.91Å; I115-L118 WeakPolarHBondContact O-CB 3.19Å; I115-L118 PolarHBondContact O-N 3.42Å; I115-L118 VanDerWaalsContact O-N 3.16Å
116A95.1Very high96.7Very high62 Ų6241.8 Ų41.851%0.51222%0.222SC..THydrogen-bonded Turntrans-61.7-22.7-17600000114.4E114 P140 A141E114-A116 PolarHBondContact O-N 3.18Å; A116-P140 HydrophobicContact CB-CG 4.2Å; A116-A141 WeakPolarHBondContact O-CB 3.46Å
117T97.7Very high96.8Very high50 Ų5041.8 Ų41.831%0.30722%0.222SC..THydrogen-bonded Turntrans-90.6-6.3-179.154.30000114.4E93 L95 I115 E119E93-T117 WeakPolarHBondContact O-CG2 3.5Å; E93-T117 PolarHBondContact O-OG1 3.02Å; E93-T117 VanDerWaalsContact O-OG1 3.11Å; L95-T117 PolarHBondContact N-OG1 3.33Å; L95-T117 CarbonylContact O-C 3.42Å; L95-T117 VanDerWaalsContact O-C 3.25Å; L95-T117 PolarHBondContact O-OG1 2.96Å; I115-T117 PolarHBondContact O-N 3.14Å; I115-T117 VanDerWaalsContact O-N 3.12Å; T117-E119 WeakPolarHBondContact O-CG 3.5Å; T117-E119 PolarHBondContact O-N 3.45Å
118L98.1Very high96.9Very high0 Ų036.4 Ų36.40%020%0.195CC..  trans-73.3116.1-170.5-166.964.1000110.6L95 I98 L112 I115 I121 M139 A141 L142L95-L118 HydrophobicContact CB-CD1 4.48Å; L95-L118 HydrophobicContact CD2-CD1 4.04Å; L95-L118 HydrophobicContact CG-CD1 3.96Å; L95-L118 WeakPolarHBondContact O-CA 3.48Å; L95-L118 PolarHBondContact O-N 3.33Å; I98-L118 HydrophobicContact CB-CD1 4.41Å; I98-L118 HydrophobicContact CG2-CD1 4.1Å; I98-L118 HydrophobicContact CG2-CD2 4.18Å; L112-L118 HydrophobicContact CB-CD2 3.97Å; L112-L118 HydrophobicContact CD2-CD2 4.46Å; I115-L118 HydrophobicContact CB-CB 3.99Å; I115-L118 HydrophobicContact CD1-CD2 4.37Å; I115-L118 HydrophobicContact CG2-CB 3.91Å; I115-L118 WeakPolarHBondContact O-CB 3.19Å; I115-L118 PolarHBondContact O-N 3.42Å; I115-L118 VanDerWaalsContact O-N 3.16Å; L118-I121 HydrophobicContact CD2-CD1 3.66Å; L118-I121 HydrophobicContact CD2-CG1 3.65Å; L118-I121 HydrophobicContact CG-CD1 4.35Å; L118-I121 HydrophobicContact CG-CG1 3.98Å; L118-M139 HydrophobicContact CB-CE 3.79Å; L118-M139 HydrophobicContact CD2-CE 4.08Å; L118-M139 HydrophobicContact CG-CE 4.29Å; L118-A141 CarbonylContact O-C 3.55Å; L118-L142 WeakPolarHBondContact O-CA 3.04Å; L118-L142 PolarHBondContact O-N 2.79Å
119E98.1Very high96.8Very high49 Ų4939.1 Ų39.123%0.22921%0.212CC..  trans-100.5-33.2-176-52.1-162.2160.300112.9T96 T117 A141 K143 W144T96-E119 WeakPolarHBondContact O-CA 3.3Å; T96-E119 WeakPolarHBondContact O-CB 3.3Å; T96-E119 PolarHBondContact O-N 3.41Å; T117-E119 WeakPolarHBondContact O-CG 3.5Å; T117-E119 PolarHBondContact O-N 3.45Å; E119-A141 WeakPolarHBondContact CA-O 3.21Å; E119-A141 HydrophobicContact CG-CB 4.3Å; E119-K143 HydrophobicContact CB-CD 4.45Å; E119-K143 PolarHBondContact O-N 3.2Å; E119-K143 IonicContact OE1-NZ 2.81Å; E119-K143 PolarHBondContact OE1-NZ 2.88Å; E119-K143 IonicContact OE2-NZ 2.8Å; E119-K143 PolarHBondContact OE2-NZ 3.2Å; E119-W144 PolarHBondContact O-N 3.23Å
120R98.4Very high96.8Very high121 Ų12144.1 Ų44.146%0.45723%0.234SC..EExtended strand (participates in β ladder)trans-131.6129.5-173.6-58.5-167.8175.883.81.7111.4T96 S97 I98 W144T96-R120 PolarHBondContact O-N 3.43Å; S97-R120 WeakPolarHBondContact CA-O 3.48Å; I98-R120 PolarHBondContact N-O 3.33Å; R120-W144 WeakPolarHBondContact CA-O 3.35Å; R120-W144 HydrophobicContact CB-CE3 4.3Å; R120-W144 HydrophobicContact CG-CB 4.19Å
121I98.3Very high96.8Very high0 Ų040.7 Ų40.70%022%0.218CC..EExtended strand (participates in β ladder)trans-129.2118.8174.9-54.1178.4000108.2I98 F108 L112 L118 L123 L136 M139 L142 W144 L145 N146I98-I121 HydrophobicContact CG2-CB 4.39Å; I98-I121 HydrophobicContact CG2-CG1 4.19Å; I98-I121 HydrophobicContact CG2-CG2 4.17Å; F108-I121 HydrophobicContact CE2-CD1 4.45Å; F108-I121 HydrophobicContact CE2-CG2 4.44Å; F108-I121 HydrophobicContact CZ-CD1 4.07Å; L112-I121 HydrophobicContact CD1-CG2 4.28Å; L118-I121 HydrophobicContact CD2-CD1 3.66Å; L118-I121 HydrophobicContact CD2-CG1 3.65Å; L118-I121 HydrophobicContact CG-CD1 4.35Å; L118-I121 HydrophobicContact CG-CG1 3.98Å; I121-L123 HydrophobicContact CG2-CD1 3.82Å; I121-L123 HydrophobicContact CG2-CG 3.96Å; I121-L136 HydrophobicContact CD1-CD2 4.4Å; I121-M139 HydrophobicContact CD1-CE 4.28Å; I121-L142 HydrophobicContact CD1-CD1 3.91Å; I121-L142 HydrophobicContact CG1-CD1 3.96Å; I121-W144 PolarHBondContact N-O 2.94Å; I121-W144 WeakPolarHBondContact O-CZ3 3.35Å; I121-L145 HydrophobicContact CB-CD1 3.82Å; I121-L145 HydrophobicContact CG2-CD1 3.94Å; I121-L145 WeakPolarHBondContact O-CA 3.39Å; I121-N146 PolarHBondContact O-N 3.48Å
122D98.4Very high96.7Very high26 Ų2638.5 Ų38.514%0.13921%0.211CC..EExtended strand (participates in β ladder)trans-104.4121.3169-156.9-30.5000110.7I98 N99 L100 A101 E124 W144 N146I98-D122 PolarHBondContact O-N 2.93Å; N99-D122 HydrophobicContact CB-CB 4.42Å; L100-D122 CarbonylContact C-O 3.55Å; L100-D122 WeakPolarHBondContact CA-O 3.34Å; L100-D122 WeakPolarHBondContact CB-O 3.33Å; L100-D122 PolarHBondContact N-O 3.38Å; A101-D122 PolarHBondContact N-O 3.26Å; D122-E124 VanDerWaalsContact OD1-CB 3.28Å; D122-E124 WeakPolarHBondContact OD1-CB 3.48Å; D122-E124 PolarHBondContact OD1-N 3.26Å; D122-W144 HydrophobicContact CB-CH2 4.27Å; D122-W144 HydrophobicContact CB-CZ3 3.89Å; D122-W144 WeakPolarHBondContact OD2-CH2 3.42Å; D122-N146 PolarHBondContact OD1-ND2 3.47Å; D122-N146 VanDerWaalsContact OD1-ND2 3.08Å; D122-N146 PolarHBondContact OD2-ND2 2.92Å; D122-N146 VanDerWaalsContact OD2-ND2 3.14Å
123L97.8Very high96.5Very high0 Ų039.7 Ų39.70%022%0.217CC..  trans-12718.4177.1-77.9163.9000111.3L100 F105 F108 I121 N126 I128 L145 N146 I147 N150L100-L123 HydrophobicContact CB-CD2 3.77Å; L100-L123 HydrophobicContact CD1-CD2 3.77Å; L100-L123 HydrophobicContact CG-CD2 4.39Å; F105-L123 HydrophobicContact CD2-CD2 4.47Å; F108-L123 HydrophobicContact CD2-CD1 3.4Å; F108-L123 VanDerWaalsContact CD2-CD1 3.4Å; F108-L123 HydrophobicContact CE2-CD1 3.44Å; F108-L123 VanDerWaalsContact CE2-CD1 3.44Å; I121-L123 HydrophobicContact CG2-CD1 3.82Å; I121-L123 HydrophobicContact CG2-CG 3.96Å; L123-N126 WeakPolarHBondContact O-CB 3.36Å; L123-N126 PolarHBondContact O-ND2 3.34Å; L123-I128 HydrophobicContact CB-CD1 4.17Å; L123-I128 HydrophobicContact CD1-CD1 3.87Å; L123-I128 HydrophobicContact CD2-CD1 3.81Å; L123-I128 HydrophobicContact CG-CD1 4.19Å; L123-L145 HydrophobicContact CD1-CD1 4.46Å; L123-N146 CarbonylContact C-O 3.6Å; L123-N146 WeakPolarHBondContact CA-O 3.41Å; L123-N146 WeakPolarHBondContact CB-O 3.31Å; L123-N146 PolarHBondContact N-O 3.4Å; L123-I147 HydrophobicContact CB-CG2 4.27Å; L123-N150 PolarHBondContact O-ND2 3.44Å
124E97.8Very high96.4Very high54 Ų5447 Ų4725%0.25225%0.249SC..THydrogen-bonded Turntrans-54.3144.1179.4175.2169.3177.700112.5A101 N102 D122 N126 N146 K148A101-E124 CarbonylContact C-O 3.59Å; A101-E124 WeakPolarHBondContact CA-O 3.33Å; A101-E124 HydrophobicContact CB-CB 4.13Å; N102-E124 PolarHBondContact N-O 3.04Å; D122-E124 VanDerWaalsContact OD1-CB 3.28Å; D122-E124 WeakPolarHBondContact OD1-CB 3.48Å; D122-E124 PolarHBondContact OD1-N 3.26Å; E124-N126 VanDerWaalsContact C-N 3.35Å; E124-N126 PolarHBondContact O-N 3.23Å; E124-N126 PolarHBondContact O-ND2 3.01Å; E124-N146 WeakPolarHBondContact CB-ND2 3.34Å; E124-N146 PolarHBondContact OE2-ND2 3.45Å; E124-K148 CarbonylContact C-O 3.52Å; E124-K148 VanDerWaalsContact CA-O 3.24Å; E124-K148 WeakPolarHBondContact CA-O 3.19Å; E124-K148 HydrophobicContact CB-CB 4.36Å; E124-K148 HydrophobicContact CG-CB 3.91Å
125G96.9Very high96.3Very high21 Ų2146.1 Ų46.122%0.21624%0.244CC..THydrogen-bonded Turntrans66.437.7171.600000113.2N102 K148 S149N102-G125 WeakPolarHBondContact CA-O 3.32Å; G125-K148 PolarHBondContact N-O 2.86Å; G125-S149 WeakPolarHBondContact CA-O 3.3Å
126N98.1Very high96.3Very high7 Ų746 Ų464%0.03724%0.243CC..SBendtrans-110.9-172.4172.8-80.7-78.1000110.4L100 N103 S104 F105 L123 E124 I128 N150L100-N126 PolarHBondContact O-ND2 3.23Å; N103-N126 VanDerWaalsContact CA-OD1 3.3Å; N103-N126 WeakPolarHBondContact CA-OD1 3.11Å; N103-N126 WeakPolarHBondContact CB-OD1 3.42Å; N103-N126 PolarHBondContact N-OD1 3.45Å; N103-N126 PolarHBondContact O-OD1 3.39Å; S104-N126 PolarHBondContact N-OD1 2.84Å; F105-N126 HydrophobicContact CB-CB 4.27Å; F105-N126 WeakPolarHBondContact CD2-OD1 3.32Å; F105-N126 PolarHBondContact N-OD1 3.3Å; L123-N126 WeakPolarHBondContact O-CB 3.36Å; L123-N126 PolarHBondContact O-ND2 3.34Å; E124-N126 VanDerWaalsContact C-N 3.35Å; E124-N126 PolarHBondContact O-N 3.23Å; E124-N126 PolarHBondContact O-ND2 3.01Å; N126-I128 HydrophobicContact CB-CD1 4.42Å; N126-I128 HydrophobicContact CB-CG1 4.19Å; N126-N150 VanDerWaalsContact CA-OD1 3.3Å; N126-N150 WeakPolarHBondContact CA-OD1 3.29Å; N126-N150 WeakPolarHBondContact CB-OD1 3.16Å; N126-N150 PolarHBondContact N-OD1 2.89Å; N126-N150 PolarHBondContact O-OD1 3.34Å
127S97.1Very high96.2Very high63 Ų6345.2 Ų45.244%0.44123%0.234SC..  trans-111.128.6-180-58.10000112.3F105 S106 T129 N150F105-S127 CarbonylContact O-C 3.2Å; F105-S127 VanDerWaalsContact O-CA 3.29Å; F105-S127 WeakPolarHBondContact O-CA 3.43Å; F105-S127 PolarHBondContact O-N 3.45Å; S106-S127 WeakPolarHBondContact CA-O 3.25Å; S127-T129 PolarHBondContact O-N 3.02Å; S127-N150 PolarHBondContact N-OD1 2.94Å
128I96.9Very high96Very high0 Ų046.5 Ų46.50%025%0.25CC..  trans-72.6127.4-174.7-62.1177.8000110.3F105 L123 N126 E130 L131 N150 P151 L152F105-I128 HydrophobicContact CB-CD1 4.22Å; F105-I128 HydrophobicContact CB-CG1 4.15Å; F105-I128 WeakPolarHBondContact O-CG1 3.33Å; F105-I128 PolarHBondContact O-N 3.09Å; L123-I128 HydrophobicContact CB-CD1 4.17Å; L123-I128 HydrophobicContact CD1-CD1 3.87Å; L123-I128 HydrophobicContact CD2-CD1 3.81Å; L123-I128 HydrophobicContact CG-CD1 4.19Å; N126-I128 HydrophobicContact CB-CD1 4.42Å; N126-I128 HydrophobicContact CB-CG1 4.19Å; I128-E130 WeakPolarHBondContact CG2-O 3.17Å; I128-L131 HydrophobicContact CG2-CD2 3.88Å; I128-L131 HydrophobicContact CG2-CG 4.46Å; I128-N150 HydrophobicContact CB-CB 4.41Å; I128-N150 WeakPolarHBondContact CB-OD1 3.34Å; I128-N150 PolarHBondContact N-OD1 3.49Å; I128-P151 CarbonylContact O-C 3.54Å; I128-L152 HydrophobicContact CG2-CD2 4.38Å; I128-L152 PolarHBondContact O-N 3.31Å
129T95Very high95.9Very high63 Ų6347.2 Ų47.239%0.38725%0.253SS..  trans-100.5-28.7176.457.60000112.9S127 P151 S153 T156S127-T129 PolarHBondContact O-N 3.02Å; T129-P151 HydrophobicContact CG2-CG 4.43Å; T129-S153 PolarHBondContact O-N 3.36Å; T129-S153 PolarHBondContact O-OG 3.49Å; T129-T156 PolarHBondContact O-OG1 3.5Å
130E94.4Very high95.7Very high121 Ų12150.2 Ų50.257%0.56528%0.277SS*.  trans-138.2150.9-174-62.4-173.1169.300111.6I128I128-E130 WeakPolarHBondContact CG2-O 3.17Å
131L94.4Very high95.7Very high18 Ų1845.5 Ų45.59%0.09426%0.264CS..  trans-128.2141.5-179.3-64.1169.9000110.3F108 I128 L133 L136 I147 L152 T156 L160F108-L131 HydrophobicContact CB-CD2 4.16Å; F108-L131 HydrophobicContact CD2-CD2 3.78Å; F108-L131 HydrophobicContact CG-CD2 4.33Å; I128-L131 HydrophobicContact CG2-CD2 3.88Å; I128-L131 HydrophobicContact CG2-CG 4.46Å; L131-L133 HydrophobicContact CB-CD2 3.97Å; L131-L133 HydrophobicContact CB-CG 4.17Å; L131-L133 HydrophobicContact CD1-CD2 4.35Å; L131-L133 PolarHBondContact O-N 3.1Å; L131-L136 HydrophobicContact CB-CD1 4.22Å; L131-I147 HydrophobicContact CD1-CD1 3.39Å; L131-I147 HydrophobicContact CD1-CG2 4.22Å; L131-I147 HydrophobicContact CD2-CG2 4.22Å; L131-L152 HydrophobicContact CD1-CD2 4.18Å; L131-L152 HydrophobicContact CG-CD2 4.29Å; L131-T156 HydrophobicContact CB-CG2 4.25Å; L131-T156 HydrophobicContact CD1-CG2 4.12Å; L131-T156 HydrophobicContact CG-CG2 4.17Å; L131-L160 HydrophobicContact CD1-CD1 4.23Å
132P94.8Very high95.6Very high18 Ų1845.9 Ų45.912%0.11727%0.266CS..  trans-79.468.6175.334.1-35.9000110.2F108 E110 T113 E134 K135 L136F108-P132 HydrophobicContact CB-CG 4.33Å; F108-P132 HydrophobicContact CD1-CG 3.54Å; F108-P132 HydrophobicContact CE1-CG 4.07Å; F108-P132 HydrophobicContact CG-CG 3.98Å; E110-P132 HydrophobicContact CG-CG 4.48Å; T113-P132 HydrophobicContact CG2-CG 4.31Å; P132-E134 VanDerWaalsContact C-N 3.26Å; P132-E134 PolarHBondContact O-N 2.7Å; P132-K135 HydrophobicContact CB-CB 4.18Å; P132-K135 HydrophobicContact CB-CD 4.11Å; P132-K135 HydrophobicContact CB-CG 4.26Å; P132-K135 PolarHBondContact O-N 3.07Å; P132-L136 HydrophobicContact CG-CD1 4.43Å; P132-L136 HydrophobicContact CG-CG 4.35Å; P132-L136 WeakPolarHBondContact O-CG 3.46Å; P132-L136 PolarHBondContact O-N 3.43Å
133L92.1Very high95.6Very high24 Ų2449.8 Ų49.813%0.12628%0.282CS..Hα-helixtrans-56.8-36.6-170.9-64.2169000113.2L131 S137 A159 L160 Y164L131-L133 HydrophobicContact CB-CD2 3.97Å; L131-L133 HydrophobicContact CB-CG 4.17Å; L131-L133 HydrophobicContact CD1-CD2 4.35Å; L131-L133 PolarHBondContact O-N 3.1Å; L133-S137 WeakPolarHBondContact O-CB 3.39Å; L133-S137 PolarHBondContact O-N 2.94Å; L133-S137 PolarHBondContact O-OG 3.21Å; L133-A159 HydrophobicContact CD1-CB 3.36Å; L133-L160 HydrophobicContact CD2-CD2 3.6Å; L133-L160 HydrophobicContact CD2-CG 4.2Å; L133-Y164 HydrophobicContact CB-CE1 4.23Å; L133-Y164 WeakPolarHBondContact CD1-OH 3.2Å; L133-Y164 HydrophobicContact CD2-CE1 4.29Å
134E92.9Very high95.6Very high178 Ų17852.4 Ų52.483%0.83229%0.292SS*.Hα-helixtrans-63-44.9175.5-65.6-172.3142.500111.8P132 S137 A138P132-E134 VanDerWaalsContact C-N 3.26Å; P132-E134 PolarHBondContact O-N 2.7Å; E134-S137 PolarHBondContact O-N 3.17Å; E134-A138 PolarHBondContact O-N 2.95Å; E134-A138 VanDerWaalsContact O-N 3.16Å
135K94.9Very high95.5Very high92 Ų9249.9 Ų49.940%0.428%0.28SS..Hα-helixtrans-68.1-43.8178.5-61-175-178.2178.60111.2E110 T113 P132 S137 A138 M139E110-K135 IonicContact OE1-NZ 2.71Å; E110-K135 IonicContact OE2-NZ 3.78Å; E110-K135 PolarHBondContact OE2-NZ 3.28Å; T113-K135 HydrophobicContact CG2-CB 3.83Å; P132-K135 HydrophobicContact CB-CB 4.18Å; P132-K135 HydrophobicContact CB-CD 4.11Å; P132-K135 HydrophobicContact CB-CG 4.26Å; P132-K135 PolarHBondContact O-N 3.07Å; K135-S137 VanDerWaalsContact C-N 3.29Å; K135-S137 PolarHBondContact O-N 3.03Å; K135-A138 WeakPolarHBondContact O-CB 3.41Å; K135-A138 PolarHBondContact O-N 3.41Å; K135-A138 VanDerWaalsContact O-N 3.07Å; K135-M139 PolarHBondContact O-N 3.49Å
136L94.7Very high95.5Very high0 Ų049 Ų490%027%0.27CS..Hα-helixtrans-59.7-40.2176.7-70.4167.4000111.7F108 T113 I121 L131 P132 A138 M139 L142 L145 F166F108-L136 HydrophobicContact CE1-CD2 4.35Å; F108-L136 HydrophobicContact CE2-CD2 3.95Å; F108-L136 HydrophobicContact CZ-CD2 3.67Å; T113-L136 HydrophobicContact CG2-CD2 4.17Å; T113-L136 HydrophobicContact CG2-CG 4.49Å; I121-L136 HydrophobicContact CD1-CD2 4.4Å; L131-L136 HydrophobicContact CB-CD1 4.22Å; P132-L136 HydrophobicContact CG-CD1 4.43Å; P132-L136 HydrophobicContact CG-CG 4.35Å; P132-L136 WeakPolarHBondContact O-CG 3.46Å; P132-L136 PolarHBondContact O-N 3.43Å; L136-A138 VanDerWaalsContact C-N 3.26Å; L136-A138 PolarHBondContact O-N 3.12Å; L136-M139 HydrophobicContact CD2-SD 3.87Å; L136-M139 WeakPolarHBondContact O-CB 3.41Å; L136-M139 PolarHBondContact O-N 3.21Å; L136-L142 HydrophobicContact CB-CD2 4.29Å; L136-L142 HydrophobicContact CD2-CD2 4.05Å; L136-L145 HydrophobicContact CD1-CD2 3.97Å; L136-F166 HydrophobicContact CB-CE1 4.26Å; L136-F166 HydrophobicContact CB-CZ 3.92Å
137S93Very high95.4Very high44 Ų4448.8 Ų48.831%0.30827%0.269SS..Hα-helixtrans-68.9-24.8176.6-54.90000113.4L133 E134 K135 M139 Y164L133-S137 WeakPolarHBondContact O-CB 3.39Å; L133-S137 PolarHBondContact O-N 2.94Å; L133-S137 PolarHBondContact O-OG 3.21Å; E134-S137 PolarHBondContact O-N 3.17Å; K135-S137 VanDerWaalsContact C-N 3.29Å; K135-S137 PolarHBondContact O-N 3.03Å; S137-M139 VanDerWaalsContact C-N 3.34Å; S137-Y164 VanDerWaalsContact OG-CD1 3.24Å; S137-Y164 WeakPolarHBondContact OG-CD1 3.37Å; S137-Y164 WeakPolarHBondContact OG-CE1 3.38Å
138A94.7Very high95.3Very high78 Ų7847.7 Ų47.765%0.64526%0.256SS*.Hα-helixtrans-83.9-9.6177.200000113.1E134 K135 L136 P140E134-A138 PolarHBondContact O-N 2.95Å; E134-A138 VanDerWaalsContact O-N 3.16Å; K135-A138 WeakPolarHBondContact O-CB 3.41Å; K135-A138 PolarHBondContact O-N 3.41Å; K135-A138 VanDerWaalsContact O-N 3.07Å; L136-A138 VanDerWaalsContact C-N 3.26Å; L136-A138 PolarHBondContact O-N 3.12Å; A138-P140 WeakPolarHBondContact O-CD 3.12Å
139M95.6Very high95.2Very high14 Ų1451.5 Ų51.57%0.06928%0.283CS..  trans-68.8120.6177.5-67.5177.467.900110T113 L118 I121 K135 L136 S137 A141 L142T113-M139 HydrophobicContact CG2-SD 4.19Å; L118-M139 HydrophobicContact CB-CE 3.79Å; L118-M139 HydrophobicContact CD2-CE 4.08Å; L118-M139 HydrophobicContact CG-CE 4.29Å; I121-M139 HydrophobicContact CD1-CE 4.28Å; K135-M139 PolarHBondContact O-N 3.49Å; L136-M139 HydrophobicContact CD2-SD 3.87Å; L136-M139 WeakPolarHBondContact O-CB 3.41Å; L136-M139 PolarHBondContact O-N 3.21Å; S137-M139 VanDerWaalsContact C-N 3.34Å; M139-A141 VanDerWaalsContact C-N 3.34Å; M139-A141 PolarHBondContact O-N 3.18Å; M139-L142 HydrophobicContact CB-CB 3.7Å; M139-L142 HydrophobicContact CE-CB 4.27Å; M139-L142 HydrophobicContact CE-CD1 4.27Å; M139-L142 HydrophobicContact SD-CB 4.34Å; M139-L142 HydrophobicContact SD-CD2 3.97Å
140P94.6Very high95.3Very high112 Ų11249.5 Ų49.573%0.72727%0.27SS*.SBendtrans-73.8-25.1-170.327.9-34.5000113.6A116 A138A116-P140 HydrophobicContact CB-CG 4.2Å; A138-P140 WeakPolarHBondContact O-CD 3.12Å
141A96.9Very high95.3Very high22 Ų2247.4 Ų47.418%0.18227%0.267CS..SBendtrans-109.1-6.5-175.300000114.1A116 L118 E119 M139 K143A116-A141 WeakPolarHBondContact O-CB 3.46Å; L118-A141 CarbonylContact O-C 3.55Å; E119-A141 WeakPolarHBondContact CA-O 3.21Å; E119-A141 HydrophobicContact CG-CB 4.3Å; M139-A141 VanDerWaalsContact C-N 3.34Å; M139-A141 PolarHBondContact O-N 3.18Å; A141-K143 WeakPolarHBondContact O-CG 3.15Å; A141-K143 PolarHBondContact O-N 3.42Å
142L97.6Very high95.3Very high9 Ų947.3 Ų47.35%0.04727%0.266CS..  trans-63.8125.6-176.7-173.168.2000109.6L118 I121 L136 M139 F166L118-L142 WeakPolarHBondContact O-CA 3.04Å; L118-L142 PolarHBondContact O-N 2.79Å; I121-L142 HydrophobicContact CD1-CD1 3.91Å; I121-L142 HydrophobicContact CG1-CD1 3.96Å; L136-L142 HydrophobicContact CB-CD2 4.29Å; L136-L142 HydrophobicContact CD2-CD2 4.05Å; M139-L142 HydrophobicContact CB-CB 3.7Å; M139-L142 HydrophobicContact CE-CB 4.27Å; M139-L142 HydrophobicContact CE-CD1 4.27Å; M139-L142 HydrophobicContact SD-CB 4.34Å; M139-L142 HydrophobicContact SD-CD2 3.97Å; L142-F166 HydrophobicContact CD2-CB 4.48Å; L142-F166 HydrophobicContact CD2-CD1 3.8Å; L142-F166 HydrophobicContact CD2-CD2 3.9Å; L142-F166 HydrophobicContact CD2-CE1 3.91Å; L142-F166 HydrophobicContact CD2-CE2 3.98Å; L142-F166 HydrophobicContact CD2-CG 3.81Å; L142-F166 HydrophobicContact CD2-CZ 4.01Å; L142-F166 HydrophobicContact CG-CB 4.16Å; L142-F166 HydrophobicContact CG-CD1 4.3Å; L142-F166 HydrophobicContact CG-CD2 4.34Å; L142-F166 HydrophobicContact CG-CG 4.04Å; L142-F166 WeakPolarHBondContact O-CB 3.44Å
143K97Very high95.3Very high108 Ų10847.9 Ų47.947%0.4727%0.27SS..  trans-121-27.9-179.6-69.1169.4-162.61630112E119 A141 E167E119-K143 HydrophobicContact CB-CD 4.45Å; E119-K143 PolarHBondContact O-N 3.2Å; E119-K143 IonicContact OE1-NZ 2.81Å; E119-K143 PolarHBondContact OE1-NZ 2.88Å; E119-K143 IonicContact OE2-NZ 2.8Å; E119-K143 PolarHBondContact OE2-NZ 3.2Å; A141-K143 WeakPolarHBondContact O-CG 3.15Å; A141-K143 PolarHBondContact O-N 3.42Å; K143-E167 WeakPolarHBondContact O-CB 3.31Å; K143-E167 PolarHBondContact O-N 3.37Å
144W97.4Very high95.2Very high55 Ų5551.3 Ų51.321%0.20830%0.296CS..EExtended strand (participates in β ladder)trans-147.2129.5-171.8-171.892.7000112E119 R120 I121 D122 N146 E167 L169E119-W144 PolarHBondContact O-N 3.23Å; R120-W144 WeakPolarHBondContact CA-O 3.35Å; R120-W144 HydrophobicContact CB-CE3 4.3Å; R120-W144 HydrophobicContact CG-CB 4.19Å; I121-W144 PolarHBondContact N-O 2.94Å; I121-W144 WeakPolarHBondContact O-CZ3 3.35Å; D122-W144 HydrophobicContact CB-CH2 4.27Å; D122-W144 HydrophobicContact CB-CZ3 3.89Å; D122-W144 WeakPolarHBondContact OD2-CH2 3.42Å; W144-N146 HydrophobicContact CE3-CB 4.2Å; W144-N146 HydrophobicContact CH2-CB 3.14Å; W144-N146 HydrophobicContact CZ2-CB 3.63Å; W144-N146 HydrophobicContact CZ3-CB 3.44Å; W144-N146 VanDerWaalsContact CZ3-CB 3.44Å; W144-E167 CarbonylContact C-O 3.58Å; W144-E167 WeakPolarHBondContact CA-O 3.47Å; W144-L169 HydrophobicContact CH2-CD1 4.48Å; W144-L169 HydrophobicContact CZ2-CD1 3.38Å; W144-L169 HydrophobicContact CZ2-CG 4.32Å
145L96.9Very high95.1Very high0 Ų046.6 Ų46.60%028%0.283CS..EExtended strand (participates in β ladder)trans-131.7117.1176.7175.564000109.7I121 L123 L136 I147 F166 E167 I168 L169I121-L145 HydrophobicContact CB-CD1 3.82Å; I121-L145 HydrophobicContact CG2-CD1 3.94Å; I121-L145 WeakPolarHBondContact O-CA 3.39Å; L123-L145 HydrophobicContact CD1-CD1 4.46Å; L136-L145 HydrophobicContact CD1-CD2 3.97Å; L145-I147 HydrophobicContact CD1-CG2 3.94Å; L145-I147 HydrophobicContact CD2-CG2 4.23Å; L145-I147 HydrophobicContact CG-CG2 3.93Å; L145-F166 HydrophobicContact CB-CD2 4.01Å; L145-F166 HydrophobicContact CB-CE2 3.97Å; L145-F166 HydrophobicContact CD2-CE2 3.84Å; L145-E167 PolarHBondContact N-O 2.97Å; L145-I168 CarbonylContact O-C 3.46Å; L145-I168 WeakPolarHBondContact O-CA 3.24Å; L145-L169 PolarHBondContact O-N 3.3Å
146N96.9Very high94.9Very high4 Ų442.7 Ų42.72%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-101.5121.1171.6-177.614.2000110.8I121 D122 L123 E124 W144 K148 L169I121-N146 PolarHBondContact O-N 3.48Å; D122-N146 PolarHBondContact OD1-ND2 3.47Å; D122-N146 VanDerWaalsContact OD1-ND2 3.08Å; D122-N146 PolarHBondContact OD2-ND2 2.92Å; D122-N146 VanDerWaalsContact OD2-ND2 3.14Å; L123-N146 CarbonylContact C-O 3.6Å; L123-N146 WeakPolarHBondContact CA-O 3.41Å; L123-N146 WeakPolarHBondContact CB-O 3.31Å; L123-N146 PolarHBondContact N-O 3.4Å; E124-N146 WeakPolarHBondContact CB-ND2 3.34Å; E124-N146 PolarHBondContact OE2-ND2 3.45Å; W144-N146 HydrophobicContact CE3-CB 4.2Å; W144-N146 HydrophobicContact CH2-CB 3.14Å; W144-N146 HydrophobicContact CZ2-CB 3.63Å; W144-N146 HydrophobicContact CZ3-CB 3.44Å; W144-N146 VanDerWaalsContact CZ3-CB 3.44Å; N146-K148 WeakPolarHBondContact OD1-CB 3.11Å; N146-K148 WeakPolarHBondContact OD1-CG 3.32Å; N146-K148 PolarHBondContact OD1-N 2.96Å; N146-K148 VanDerWaalsContact OD1-N 3.09Å; N146-L169 HydrophobicContact CB-CB 4.31Å; N146-L169 HydrophobicContact CB-CD1 4.44Å
147I95.3Very high94.7Very high2 Ų247.8 Ų47.81%0.0129%0.291CS..  trans-131.620.6179.950176.7000110.5L123 L131 L145 N150 L152 L160 I168 L169 L170L123-I147 HydrophobicContact CB-CG2 4.27Å; L131-I147 HydrophobicContact CD1-CD1 3.39Å; L131-I147 HydrophobicContact CD1-CG2 4.22Å; L131-I147 HydrophobicContact CD2-CG2 4.22Å; L145-I147 HydrophobicContact CD1-CG2 3.94Å; L145-I147 HydrophobicContact CD2-CG2 4.23Å; L145-I147 HydrophobicContact CG-CG2 3.93Å; I147-N150 WeakPolarHBondContact O-CB 3.44Å; I147-N150 PolarHBondContact O-ND2 3.34Å; I147-N150 VanDerWaalsContact O-ND2 3.16Å; I147-L152 HydrophobicContact CD1-CD1 3.93Å; I147-L152 HydrophobicContact CG1-CD1 4.46Å; I147-L160 HydrophobicContact CD1-CD1 3.96Å; I147-L160 HydrophobicContact CD1-CD2 4.34Å; I147-I168 HydrophobicContact CD1-CG2 3.63Å; I147-I168 HydrophobicContact CG1-CG2 3.92Å; I147-L169 WeakPolarHBondContact CG1-O 3.44Å; I147-L169 PolarHBondContact N-O 3.42Å; I147-L170 HydrophobicContact CD1-CD2 3.45Å; I147-L170 VanDerWaalsContact CD1-CD2 3.45Å; I147-L170 HydrophobicContact CG1-CD2 3.82Å
148K95.1Very high94.5Very high39 Ų3948.9 Ų48.917%0.1730%0.299CS..THydrogen-bonded Turntrans-53.1153.8173.9-71.7-178.1-163.9-163.20110.9E124 G125 N146 N150 L169 T171 T172E124-K148 CarbonylContact C-O 3.52Å; E124-K148 VanDerWaalsContact CA-O 3.24Å; E124-K148 WeakPolarHBondContact CA-O 3.19Å; E124-K148 HydrophobicContact CB-CB 4.36Å; E124-K148 HydrophobicContact CG-CB 3.91Å; G125-K148 PolarHBondContact N-O 2.86Å; N146-K148 WeakPolarHBondContact OD1-CB 3.11Å; N146-K148 WeakPolarHBondContact OD1-CG 3.32Å; N146-K148 PolarHBondContact OD1-N 2.96Å; N146-K148 VanDerWaalsContact OD1-N 3.09Å; K148-N150 PolarHBondContact O-N 2.91Å; K148-N150 VanDerWaalsContact O-N 3.14Å; K148-N150 PolarHBondContact O-ND2 3.4Å; K148-L169 HydrophobicContact CD-CB 4.47Å; K148-L169 HydrophobicContact CG-CB 4.24Å; K148-L169 PolarHBondContact N-O 3.18Å; K148-T171 WeakPolarHBondContact CD-O 3.43Å; K148-T171 WeakPolarHBondContact CE-O 3.39Å; K148-T171 PolarHBondContact NZ-O 3.41Å; K148-T171 VanDerWaalsContact NZ-O 3.14Å; K148-T172 HydrophobicContact CD-CG2 4.08Å
149S95.4Very high94.3Very high80 Ų8046.9 Ų46.956%0.55928%0.282SS*.THydrogen-bonded Turntrans55.436.2174.3-53.50000113.4G125G125-S149 WeakPolarHBondContact CA-O 3.3Å
150N96.2Very high93.9Very high21 Ų2147 Ų4711%0.11228%0.283CS..  trans-115.7142.6170.6-79.4-89.4000110.6L123 N126 S127 I128 I147 K148 L152L123-N150 PolarHBondContact O-ND2 3.44Å; N126-N150 VanDerWaalsContact CA-OD1 3.3Å; N126-N150 WeakPolarHBondContact CA-OD1 3.29Å; N126-N150 WeakPolarHBondContact CB-OD1 3.16Å; N126-N150 PolarHBondContact N-OD1 2.89Å; N126-N150 PolarHBondContact O-OD1 3.34Å; S127-N150 PolarHBondContact N-OD1 2.94Å; I128-N150 HydrophobicContact CB-CB 4.41Å; I128-N150 WeakPolarHBondContact CB-OD1 3.34Å; I128-N150 PolarHBondContact N-OD1 3.49Å; I147-N150 WeakPolarHBondContact O-CB 3.44Å; I147-N150 PolarHBondContact O-ND2 3.34Å; I147-N150 VanDerWaalsContact O-ND2 3.16Å; K148-N150 PolarHBondContact O-N 2.91Å; K148-N150 VanDerWaalsContact O-N 3.14Å; K148-N150 PolarHBondContact O-ND2 3.4Å; N150-L152 HydrophobicContact CB-CD2 4.25Å; N150-L152 HydrophobicContact CB-CG 4.21Å; N150-L152 PolarHBondContact O-N 2.97Å
151P95.5Very high93.3Very high77 Ų7752.1 Ų52.150%0.529%0.288SS..  trans-78.957.3178.835.7-37.7000112I128 T129 S153I128-P151 CarbonylContact O-C 3.54Å; T129-P151 HydrophobicContact CG2-CG 4.43Å; P151-S153 PolarHBondContact O-N 3.01Å
152L94.4Very high92.7Very high16 Ų1654.3 Ų54.38%0.08430%0.302CS..  trans-57.2136.1-178.6-60.5173.2000110.9I128 L131 I147 N150 T156 Q157 L160 L170I128-L152 HydrophobicContact CG2-CD2 4.38Å; I128-L152 PolarHBondContact O-N 3.31Å; L131-L152 HydrophobicContact CD1-CD2 4.18Å; L131-L152 HydrophobicContact CG-CD2 4.29Å; I147-L152 HydrophobicContact CD1-CD1 3.93Å; I147-L152 HydrophobicContact CG1-CD1 4.46Å; N150-L152 HydrophobicContact CB-CD2 4.25Å; N150-L152 HydrophobicContact CB-CG 4.21Å; N150-L152 PolarHBondContact O-N 2.97Å; L152-T156 HydrophobicContact CD2-CG2 4.21Å; L152-Q157 HydrophobicContact CB-CG 3.83Å; L152-Q157 PolarHBondContact O-NE2 3.38Å; L152-L160 HydrophobicContact CD1-CD1 3.9Å; L152-L170 HydrophobicContact CD1-CD2 4.09Å
153S93.2Very high91.9Very high30 Ų3060.2 Ų60.221%0.2134%0.34CS..  trans-64.9153176.565.30000111.5T129 P151 S155 T156 Q157T129-S153 PolarHBondContact O-N 3.36Å; T129-S153 PolarHBondContact O-OG 3.49Å; P151-S153 PolarHBondContact O-N 3.01Å; S153-S155 PolarHBondContact O-N 3.38Å; S153-S155 VanDerWaalsContact O-N 3.17Å; S153-S155 PolarHBondContact OG-OG 3.48Å; S153-T156 PolarHBondContact O-N 3.49Å; S153-T156 PolarHBondContact OG-N 2.97Å; S153-T156 PolarHBondContact OG-OG1 3.26Å; S153-Q157 WeakPolarHBondContact O-CG 3.06Å; S153-Q157 PolarHBondContact O-N 2.91Å
154S91.4Very high91.5Very high96 Ų9657.4 Ų57.467%0.67133%0.327SS*.Hα-helixtrans-57.9-32.1179.7-51.60000112.8S158S154-S158 WeakPolarHBondContact O-CB 3.19Å; S154-S158 PolarHBondContact O-N 2.98Å; S154-S158 PolarHBondContact O-OG 2.93Å
155S90.7Very high91.1Very high79 Ų7961.9 Ų61.955%0.55236%0.355SS*.Hα-helixtrans-64.8-48.7173.947.60000111.2S153 S158 A159S153-S155 PolarHBondContact O-N 3.38Å; S153-S155 VanDerWaalsContact O-N 3.17Å; S153-S155 PolarHBondContact OG-OG 3.48Å; S155-S158 PolarHBondContact O-N 3.44Å; S155-A159 PolarHBondContact O-N 2.94Å
156T90.8Very high90.9Very high10 Ų1062.7 Ų62.76%0.06136%0.359CS..Hα-helixtrans-61.4-47.3177.3-55.30000111.3T129 L131 L152 S153 S158 A159 L160T129-T156 PolarHBondContact O-OG1 3.5Å; L131-T156 HydrophobicContact CB-CG2 4.25Å; L131-T156 HydrophobicContact CD1-CG2 4.12Å; L131-T156 HydrophobicContact CG-CG2 4.17Å; L152-T156 HydrophobicContact CD2-CG2 4.21Å; S153-T156 PolarHBondContact O-N 3.49Å; S153-T156 PolarHBondContact OG-N 2.97Å; S153-T156 PolarHBondContact OG-OG1 3.26Å; T156-S158 PolarHBondContact O-N 3.15Å; T156-A159 PolarHBondContact O-N 3.27Å; T156-L160 HydrophobicContact CG2-CD1 3.85Å; T156-L160 HydrophobicContact CG2-CG 4.49Å; T156-L160 WeakPolarHBondContact O-CD1 3.21Å; T156-L160 VanDerWaalsContact O-CG 3.27Å; T156-L160 WeakPolarHBondContact O-CG 3.29Å; T156-L160 PolarHBondContact O-N 3.28Å
157Q89.7Confident90.7Very high108 Ų10868 Ų6851%0.50538%0.383SS..Hα-helixtrans-59.3-36176.2-66.9-177.732.200112.6L152 S153L152-Q157 HydrophobicContact CB-CG 3.83Å; L152-Q157 PolarHBondContact O-NE2 3.38Å; S153-Q157 WeakPolarHBondContact O-CG 3.06Å; S153-Q157 PolarHBondContact O-N 2.91Å
158S89.3Confident90.6Very high67 Ų6769.5 Ų69.547%0.46939%0.391SS..Hα-helixtrans-70.6-40.5177.3-59.90000111.7S154 S155 T156 L160 R161S154-S158 WeakPolarHBondContact O-CB 3.19Å; S154-S158 PolarHBondContact O-N 2.98Å; S154-S158 PolarHBondContact O-OG 2.93Å; S155-S158 PolarHBondContact O-N 3.44Å; T156-S158 PolarHBondContact O-N 3.15Å; S158-L160 VanDerWaalsContact C-N 3.32Å; S158-L160 PolarHBondContact O-N 3.24Å; S158-R161 WeakPolarHBondContact O-CB 3.49Å; S158-R161 WeakPolarHBondContact O-CG 3.47Å; S158-R161 PolarHBondContact O-N 2.79Å
159A89.5Confident90.4Very high36 Ų3669.7 Ų69.730%0.29839%0.394SS..Hα-helixtrans-64-38.5177.100000111.9L133 S155 T156 R161 S162 Y164L133-A159 HydrophobicContact CD1-CB 3.36Å; S155-A159 PolarHBondContact O-N 2.94Å; T156-A159 PolarHBondContact O-N 3.27Å; A159-R161 PolarHBondContact O-N 3.25Å; A159-S162 WeakPolarHBondContact O-CB 3.45Å; A159-S162 PolarHBondContact O-N 2.87Å; A159-S162 VanDerWaalsContact O-N 3.09Å; A159-S162 PolarHBondContact O-OG 3.45Å; A159-Y164 PolarHBondContact O-OH 3Å; A159-Y164 VanDerWaalsContact O-OH 3.11Å
160L87.8Confident89.9Confident15 Ų1569.3 Ų69.38%0.07939%0.385CS..THydrogen-bonded Turntrans-64.3-7.8177.5-72.9162.9000114.7L131 L133 I147 L152 T156 S158 S162 Y164 I168 L170L131-L160 HydrophobicContact CD1-CD1 4.23Å; L133-L160 HydrophobicContact CD2-CD2 3.6Å; L133-L160 HydrophobicContact CD2-CG 4.2Å; I147-L160 HydrophobicContact CD1-CD1 3.96Å; I147-L160 HydrophobicContact CD1-CD2 4.34Å; L152-L160 HydrophobicContact CD1-CD1 3.9Å; T156-L160 HydrophobicContact CG2-CD1 3.85Å; T156-L160 HydrophobicContact CG2-CG 4.49Å; T156-L160 WeakPolarHBondContact O-CD1 3.21Å; T156-L160 VanDerWaalsContact O-CG 3.27Å; T156-L160 WeakPolarHBondContact O-CG 3.29Å; T156-L160 PolarHBondContact O-N 3.28Å; S158-L160 VanDerWaalsContact C-N 3.32Å; S158-L160 PolarHBondContact O-N 3.24Å; L160-S162 VanDerWaalsContact C-N 3.27Å; L160-Y164 HydrophobicContact CD2-CE2 4.27Å; L160-I168 HydrophobicContact CD2-CD1 3.59Å; L160-I168 HydrophobicContact CD2-CG2 4.26Å; L160-L170 HydrophobicContact CB-CD1 4.4Å; L160-L170 HydrophobicContact CD1-CD2 3.69Å
161R82.6Confident88.8Confident220 Ų22073 Ų7383%0.8341%0.408SS*.THydrogen-bonded Turntrans-75.6-16.9172.6-61.6-177.2177.7-145.1-1.7113.3S158 A159S158-R161 WeakPolarHBondContact O-CB 3.49Å; S158-R161 WeakPolarHBondContact O-CG 3.47Å; S158-R161 PolarHBondContact O-N 2.79Å; A159-R161 PolarHBondContact O-N 3.25Å
162S83.1Confident87Confident69 Ų6974 Ų7448%0.48341%0.413SS..SBendtrans-75.2150.3175.7-54.50000110A159 L160 Y164A159-S162 WeakPolarHBondContact O-CB 3.45Å; A159-S162 PolarHBondContact O-N 2.87Å; A159-S162 VanDerWaalsContact O-N 3.09Å; A159-S162 PolarHBondContact O-OG 3.45Å; L160-S162 VanDerWaalsContact C-N 3.27Å; S162-Y164 WeakPolarHBondContact O-CD2 3.47Å; S162-Y164 WeakPolarHBondContact O-CE2 3.38Å; S162-Y164 PolarHBondContact O-N 2.9Å
163P82Confident84.6Confident132 Ų13285.6 Ų85.686%0.85747%0.467SS*.  trans-68134.3174.427.9-33.1000110.5
164Y88.6Confident84.2Confident50 Ų5088.4 Ų88.420%0.19648%0.48CS..  trans-112.7159172.3-68.9-88.5000109.6L133 S137 A159 L160 S162 F166 I168L133-Y164 HydrophobicContact CB-CE1 4.23Å; L133-Y164 WeakPolarHBondContact CD1-OH 3.2Å; L133-Y164 HydrophobicContact CD2-CE1 4.29Å; S137-Y164 VanDerWaalsContact OG-CD1 3.24Å; S137-Y164 WeakPolarHBondContact OG-CD1 3.37Å; S137-Y164 WeakPolarHBondContact OG-CE1 3.38Å; A159-Y164 PolarHBondContact O-OH 3Å; A159-Y164 VanDerWaalsContact O-OH 3.11Å; L160-Y164 HydrophobicContact CD2-CE2 4.27Å; S162-Y164 WeakPolarHBondContact O-CD2 3.47Å; S162-Y164 WeakPolarHBondContact O-CE2 3.38Å; S162-Y164 PolarHBondContact O-N 2.9Å; Y164-F166 AromaticContact CD1-CE1 3.87Å; Y164-F166 HydrophobicContact CD1-CE1 3.87Å; Y164-F166 AromaticContact CD1-CZ 3.86Å; Y164-F166 HydrophobicContact CD1-CZ 3.86Å; Y164-F166 HydrophobicContact CG-CE1 4.17Å; Y164-F166 HydrophobicContact CG-CZ 4.05Å; Y164-F166 PolarHBondContact O-N 3.11Å; Y164-F166 VanDerWaalsContact O-N 3.14Å; Y164-I168 HydrophobicContact CD2-CD1 3.55Å; Y164-I168 HydrophobicContact CE2-CD1 4.19Å; Y164-I168 HydrophobicContact CG-CD1 3.82Å
165N89.1Confident83.8Confident149 Ų14987.9 Ų87.980%0.79747%0.47SS*.SBendtrans-74.74.8178.1-64.7-20000113.4
166F92.8Very high83.5Confident16 Ų1688.4 Ų88.47%0.0747%0.465CS..SBendtrans-137.4155.3-177.355.7-89.8000110.3L136 L142 L145 Y164 I168L136-F166 HydrophobicContact CB-CE1 4.26Å; L136-F166 HydrophobicContact CB-CZ 3.92Å; L142-F166 HydrophobicContact CD2-CB 4.48Å; L142-F166 HydrophobicContact CD2-CD1 3.8Å; L142-F166 HydrophobicContact CD2-CD2 3.9Å; L142-F166 HydrophobicContact CD2-CE1 3.91Å; L142-F166 HydrophobicContact CD2-CE2 3.98Å; L142-F166 HydrophobicContact CD2-CG 3.81Å; L142-F166 HydrophobicContact CD2-CZ 4.01Å; L142-F166 HydrophobicContact CG-CB 4.16Å; L142-F166 HydrophobicContact CG-CD1 4.3Å; L142-F166 HydrophobicContact CG-CD2 4.34Å; L142-F166 HydrophobicContact CG-CG 4.04Å; L142-F166 WeakPolarHBondContact O-CB 3.44Å; L145-F166 HydrophobicContact CB-CD2 4.01Å; L145-F166 HydrophobicContact CB-CE2 3.97Å; L145-F166 HydrophobicContact CD2-CE2 3.84Å; Y164-F166 AromaticContact CD1-CE1 3.87Å; Y164-F166 HydrophobicContact CD1-CE1 3.87Å; Y164-F166 AromaticContact CD1-CZ 3.86Å; Y164-F166 HydrophobicContact CD1-CZ 3.86Å; Y164-F166 HydrophobicContact CG-CE1 4.17Å; Y164-F166 HydrophobicContact CG-CZ 4.05Å; Y164-F166 PolarHBondContact O-N 3.11Å; Y164-F166 VanDerWaalsContact O-N 3.14Å; F166-I168 HydrophobicContact CD2-CD1 4.03Å; F166-I168 HydrophobicContact CD2-CG1 3.54Å; F166-I168 HydrophobicContact CE2-CD1 3.36Å; F166-I168 HydrophobicContact CE2-CG1 3.36Å; F166-I168 HydrophobicContact CZ-CD1 3.93Å; F166-I168 HydrophobicContact CZ-CG1 4.37Å
167E93.1Very high83Confident115 Ų11593.1 Ų93.154%0.53749%0.489SS..EExtended strand (participates in β ladder)trans-73.9131.9175.7-171.7-178.916400110.2K143 W144 L145K143-E167 WeakPolarHBondContact O-CB 3.31Å; K143-E167 PolarHBondContact O-N 3.37Å; W144-E167 CarbonylContact C-O 3.58Å; W144-E167 WeakPolarHBondContact CA-O 3.47Å; L145-E167 PolarHBondContact N-O 2.97Å
168I92.3Very high82.6Confident35 Ų3592.1 Ų92.118%0.17949%0.488CS..EExtended strand (participates in β ladder)trans-121.1123.4178.5-50.6-176.6000109.3L145 I147 L160 Y164 F166 L170L145-I168 CarbonylContact O-C 3.46Å; L145-I168 WeakPolarHBondContact O-CA 3.24Å; I147-I168 HydrophobicContact CD1-CG2 3.63Å; I147-I168 HydrophobicContact CG1-CG2 3.92Å; L160-I168 HydrophobicContact CD2-CD1 3.59Å; L160-I168 HydrophobicContact CD2-CG2 4.26Å; Y164-I168 HydrophobicContact CD2-CD1 3.55Å; Y164-I168 HydrophobicContact CE2-CD1 4.19Å; Y164-I168 HydrophobicContact CG-CD1 3.82Å; F166-I168 HydrophobicContact CD2-CD1 4.03Å; F166-I168 HydrophobicContact CD2-CG1 3.54Å; F166-I168 HydrophobicContact CE2-CD1 3.36Å; F166-I168 HydrophobicContact CE2-CG1 3.36Å; F166-I168 HydrophobicContact CZ-CD1 3.93Å; F166-I168 HydrophobicContact CZ-CG1 4.37Å; I168-L170 HydrophobicContact CG2-CD2 3.95Å; I168-L170 HydrophobicContact CG2-CG 4.01Å
169L91.4Very high82.2Confident42 Ų4293.8 Ų93.822%0.2249%0.489CS..EExtended strand (participates in β ladder)trans-98.3115.8174.1-60.5-174.2000110.7W144 L145 N146 I147 K148W144-L169 HydrophobicContact CH2-CD1 4.48Å; W144-L169 HydrophobicContact CZ2-CD1 3.38Å; W144-L169 HydrophobicContact CZ2-CG 4.32Å; L145-L169 PolarHBondContact O-N 3.3Å; N146-L169 HydrophobicContact CB-CB 4.31Å; N146-L169 HydrophobicContact CB-CD1 4.44Å; I147-L169 WeakPolarHBondContact CG1-O 3.44Å; I147-L169 PolarHBondContact N-O 3.42Å; K148-L169 HydrophobicContact CD-CB 4.47Å; K148-L169 HydrophobicContact CG-CB 4.24Å; K148-L169 PolarHBondContact N-O 3.18Å
170L83.9Confident81.6Confident72 Ų7297.9 Ų97.938%0.37750%0.503SS..  trans-110.8-31-174.7-63.5165.1000113.2I147 L152 L160 I168I147-L170 HydrophobicContact CD1-CD2 3.45Å; I147-L170 VanDerWaalsContact CD1-CD2 3.45Å; I147-L170 HydrophobicContact CG1-CD2 3.82Å; L152-L170 HydrophobicContact CD1-CD2 4.09Å; L160-L170 HydrophobicContact CB-CD1 4.4Å; L160-L170 HydrophobicContact CD1-CD2 3.69Å; I168-L170 HydrophobicContact CG2-CD2 3.95Å; I168-L170 HydrophobicContact CG2-CG 4.01Å
171T74.5Confident81.2Confident98 Ų98104.3 Ų104.360%0.60154%0.536SS*.SBendtrans-131.7148.1-174.652.80000111.4K148 E173K148-T171 WeakPolarHBondContact CD-O 3.43Å; K148-T171 WeakPolarHBondContact CE-O 3.39Å; K148-T171 PolarHBondContact NZ-O 3.41Å; K148-T171 VanDerWaalsContact NZ-O 3.14Å; T171-E173 PolarHBondContact O-N 3.4Å
172T56.5Low81.1Confident98 Ų9894.7 Ų94.760%0.60151%0.511SS*.  trans-74.7107.8157.7470000106.8K148K148-T172 HydrophobicContact CD-CG2 4.08Å
173E45.5Very low80.9Confident260 Ų26097 Ų97100%1.21551%0.514SS*.  trans-57.80161.9-68.7-169.6133.900110.8T171T171-E173 PolarHBondContact O-N 3.4Å

Retrieved 173 of 173 residues in 683.7 ms (Link to these results)

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