G4M044_SCHMA Loading...

Integrator complex subunit 11

AlphaFold DB , UniProt , Accession G4M044, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 619 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
1M47.1Very low89Confident180 Ų18031.1 Ų31.189%0.88716%0.162SC*.  0112.70-71.9-175.9-168.400107.6
2S72.5Confident89.6Confident33 Ų3328.8 Ų28.823%0.23115%0.151CC..  trans-68.7142.6165.143.10000108.3T447S2-T447 WeakPolarHBondContact CB-OG1 3.33Å; S2-T447 PolarHBondContact O-N 3.47Å; S2-T447 PolarHBondContact O-OG1 3.33Å; S2-T447 PolarHBondContact OG-OG1 2.92Å
3S88.8Confident90Very high53 Ų5331 Ų3137%0.37116%0.16SC..EExtended strand (participates in β ladder)trans-137.7141.6174.567.60000109.7I445S3-I445 CarbonylContact C-O 3.6Å; S3-I445 VanDerWaalsContact CA-O 3.23Å; S3-I445 WeakPolarHBondContact CA-O 3.4Å
4I96.2Very high90.1Very high0 Ų031.1 Ų31.10%016%0.161CC..EExtended strand (participates in β ladder)trans-86.9123.4168-48.2-178.8000106.8V6 V22 T23 L24 V173 D198 L199 H444 I445 T447I4-V6 HydrophobicContact CG2-CG2 4.03Å; I4-V22 HydrophobicContact CG2-CG1 3.74Å; I4-T23 WeakPolarHBondContact CA-O 3.33Å; I4-L24 HydrophobicContact CB-CD1 4.32Å; I4-L24 HydrophobicContact CD1-CD1 3.46Å; I4-L24 VanDerWaalsContact CD1-CD1 3.46Å; I4-L24 HydrophobicContact CG1-CD1 3.45Å; I4-L24 VanDerWaalsContact CG1-CD1 3.45Å; I4-L24 HydrophobicContact CG2-CD1 4.13Å; I4-V173 HydrophobicContact CD1-CG2 3.81Å; I4-V173 HydrophobicContact CG2-CG2 4Å; I4-D198 HydrophobicContact CD1-CB 3.84Å; I4-L199 HydrophobicContact CD1-CB 4.23Å; I4-L199 HydrophobicContact CG2-CD2 4.3Å; I4-H444 WeakPolarHBondContact O-CA 3.46Å; I4-I445 HydrophobicContact CB-CB 4.17Å; I4-I445 PolarHBondContact N-O 3.43Å; I4-I445 PolarHBondContact O-N 3.26Å; I4-T447 HydrophobicContact CD1-CG2 3.74Å; I4-T447 HydrophobicContact CG1-CG2 3.64Å
5R96.5Very high90Very high71 Ų7130.3 Ų30.327%0.26816%0.158SC..EExtended strand (participates in β ladder)trans-102.7130.1174.9178.1-175.8173.3-120.93.1108.4I7 V22 T23 Y60 V442 V443R5-I7 VanDerWaalsContact CZ-CD1 3.49Å; R5-V22 CarbonylContact O-C 3.56Å; R5-V22 WeakPolarHBondContact O-CA 3.32Å; R5-T23 PolarHBondContact N-O 3Å; R5-T23 PolarHBondContact O-N 3.18Å; R5-Y60 PolarHBondContact NH1-OH 2.95Å; R5-V442 HydrophobicContact CG-CG1 3.64Å; R5-V443 WeakPolarHBondContact CA-O 3.37Å
6V97.6Very high90Very high0 Ų028.7 Ų28.70%015%0.151CC..EExtended strand (participates in β ladder)trans-128.1139.1-179.7-173.30000110.4I4 I20 L21 V22 L199 I201 M410 V443I4-V6 HydrophobicContact CG2-CG2 4.03Å; V6-I20 HydrophobicContact CG1-CG2 3.58Å; V6-L21 CarbonylContact C-O 3.47Å; V6-L21 VanDerWaalsContact CA-O 3.32Å; V6-L21 WeakPolarHBondContact CA-O 3.4Å; V6-V22 HydrophobicContact CG1-CG2 4.06Å; V6-V22 HydrophobicContact CG2-CG1 4.44Å; V6-V22 HydrophobicContact CG2-CG2 4.08Å; V6-L199 HydrophobicContact CG2-CD2 3.61Å; V6-I201 HydrophobicContact CG1-CD1 4.36Å; V6-M410 HydrophobicContact CB-CE 3.79Å; V6-M410 HydrophobicContact CB-SD 4.12Å; V6-M410 HydrophobicContact CG1-CE 3.92Å; V6-M410 HydrophobicContact CG1-SD 3.54Å; V6-M410 VanDerWaalsContact CG1-SD 3.54Å; V6-M410 HydrophobicContact CG2-CE 4.13Å; V6-V443 PolarHBondContact N-O 3.07Å; V6-V443 PolarHBondContact O-N 3.49Å
7I96.5Very high90.3Very high3 Ų329.1 Ų29.12%0.01515%0.15CC..EExtended strand (participates in β ladder)trans-137.2114.7175.4-38.9177000108.8R5 L9 L21 V442R5-I7 VanDerWaalsContact CZ-CD1 3.49Å; I7-L9 HydrophobicContact CG2-CD2 4.13Å; I7-L9 PolarHBondContact O-N 3.41Å; I7-L21 HydrophobicContact CD1-CD2 4.12Å; I7-L21 PolarHBondContact N-O 3.4Å; I7-L21 PolarHBondContact O-N 3.15Å; I7-V442 HydrophobicContact CD1-CG2 3.99Å; I7-V442 HydrophobicContact CG1-CB 4.45Å; I7-V442 HydrophobicContact CG1-CG1 4.23Å; I7-V442 HydrophobicContact CG1-CG2 3.97Å; I7-V442 HydrophobicContact CG2-CG2 4.39Å
8P97.4Very high90.7Very high0 Ų027.6 Ų27.60%014%0.142CC..EExtended strand (participates in β ladder)trans-71.3116.1165.9-12.327.7000109.5G10 I20 P437 N439 G440 E441P8-G10 VanDerWaalsContact C-N 3.32Å; P8-I20 HydrophobicContact CB-CD1 3.72Å; P8-I20 HydrophobicContact CG-CD1 4.37Å; P8-P437 HydrophobicContact CG-CB 3.86Å; P8-P437 HydrophobicContact CG-CG 3.52Å; P8-N439 CarbonylContact O-C 2.98Å; P8-N439 WeakPolarHBondContact O-CA 3.31Å; P8-G440 PolarHBondContact O-N 3.4Å; P8-E441 WeakPolarHBondContact CD-O 3.33Å
9L96.2Very high91.1Very high2 Ų226.1 Ų26.11%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-84.6-17.1167.4-53.9-174.7000111.1I7 C19 M30 P46 D47 F48 Y50 I51I7-L9 HydrophobicContact CG2-CD2 4.13Å; I7-L9 PolarHBondContact O-N 3.41Å; L9-C19 HydrophobicContact CB-CB 4.18Å; L9-C19 PolarHBondContact N-O 2.99Å; L9-M30 HydrophobicContact CD1-CE 4.1Å; L9-P46 HydrophobicContact CB-CB 4.04Å; L9-D47 PolarHBondContact O-N 3.05Å; L9-F48 HydrophobicContact CD1-CD1 4.35Å; L9-Y50 HydrophobicContact CD2-CD2 4.25Å; L9-Y50 HydrophobicContact CD2-CG 4.26Å; L9-I51 HydrophobicContact CD1-CD1 4.1Å
10G95.6Very high91.4Very high0 Ų024.9 Ų24.90%013%0.128CC..EExtended strand (participates in β ladder)trans-160.4169.8169.700000111.3P8 G12 R17 C19 I20 N439P8-G10 VanDerWaalsContact C-N 3.32Å; G10-G12 PolarHBondContact O-N 3.1Å; G10-G12 VanDerWaalsContact O-N 3.15Å; G10-R17 CarbonylContact C-O 3.49Å; G10-R17 VanDerWaalsContact CA-O 3.26Å; G10-R17 WeakPolarHBondContact CA-O 3.18Å; G10-C19 PolarHBondContact N-O 2.95Å; G10-I20 WeakPolarHBondContact O-CD1 3.16Å; G10-N439 WeakPolarHBondContact CA-OD1 3.16Å
11A94.9Very high91.7Very high0 Ų023.7 Ų23.70%012%0.123CC..  trans58.411.6-172.800000116.7Q13 G16 S18 H413 N439A11-Q13 PolarHBondContact O-N 2.92Å; A11-G16 PolarHBondContact N-O 3.17Å; A11-S18 WeakPolarHBondContact CB-OG 3.45Å; A11-H413 HydrophobicContact CB-CB 4.29Å; A11-H413 PolarHBondContact O-N 3.13Å; A11-N439 PolarHBondContact N-OD1 3.23Å
12G95.6Very high94.1Very high3 Ų315.2 Ų15.23%0.0318%0.081CC..SBendtrans-76.3108.1165.900000110.3G10 D14 P437 N439G10-G12 PolarHBondContact O-N 3.1Å; G10-G12 VanDerWaalsContact O-N 3.15Å; G12-D14 PolarHBondContact O-N 2.62Å; G12-P437 CarbonylContact C-O 3.55Å; G12-P437 WeakPolarHBondContact CA-O 3.34Å; G12-N439 VanDerWaalsContact CA-OD1 3.32Å; G12-N439 WeakPolarHBondContact CA-OD1 3.38Å; G12-N439 PolarHBondContact N-OD1 3.17Å
13Q95.2Very high95.3Very high58 Ų5815 Ų1527%0.2718%0.078SC..SBendtrans58.123.9-174.6-55.7-178.511.300114.9A11 G414 A416 M419 K436A11-Q13 PolarHBondContact O-N 2.92Å; Q13-G414 CarbonylContact C-O 3.58Å; Q13-G414 VanDerWaalsContact CA-O 3.31Å; Q13-G414 WeakPolarHBondContact CA-O 3.44Å; Q13-A416 HydrophobicContact CB-CB 3.97Å; Q13-A416 HydrophobicContact CG-CB 4.35Å; Q13-M419 HydrophobicContact CB-SD 4.35Å; Q13-M419 HydrophobicContact CG-SD 4.05Å; Q13-K436 WeakPolarHBondContact CG-O 3.33Å; Q13-K436 PolarHBondContact NE2-O 3.49Å
14D91.1Very high95.6Very high33 Ų3312.4 Ų12.418%0.1766%0.06CC..SBendtrans-140.5161.2-176.2-163.48000110.1G12 R17 H36 H413 G414G12-D14 PolarHBondContact O-N 2.62Å; D14-R17 IonicContact OD2-CZ 2.79Å; D14-R17 IonicContact OD2-NE 2.7Å; D14-R17 PolarHBondContact OD2-NE 3.27Å; D14-R17 IonicContact OD2-NH2 3.99Å; D14-R17 PolarHBondContact OD2-NH2 2.84Å; D14-H36 IonicContact OD1-CD2 3.28Å; D14-H36 IonicContact OD1-NE2 3.49Å; D14-H36 IonicContact OD2-CD2 3.94Å; D14-H413 CarbonylContact O-C 3.32Å; D14-H413 WeakPolarHBondContact O-CA 3.43Å; D14-G414 PolarHBondContact N-O 2.79Å; D14-G414 VanDerWaalsContact N-O 3.09Å; D14-G414 PolarHBondContact O-N 3.48Å
15V89Confident95.3Very high18 Ų1814.5 Ų14.511%0.1098%0.081CC..SBendtrans-115.3117.5174.3179.10000108.4H36 Y353V15-H36 PolarHBondContact O-CD2 2.88Å; V15-H36 VanDerWaalsContact O-CD2 3.23Å; V15-H36 PolarHBondContact O-NE2 3.36Å; V15-Y353 HydrophobicContact CG1-CE1 4.5Å
16G90.1Very high95Very high5 Ų514.3 Ų14.35%0.05210%0.101CC..SBendtrans117.1165-170.700000113.3A11 S18 H413A11-G16 PolarHBondContact N-O 3.17Å; G16-S18 PolarHBondContact O-N 3.37Å; G16-S18 VanDerWaalsContact O-N 3.15Å; G16-H413 PolarHBondContact N-NE2 3.11Å
17R94.6Very high94.9Very high36 Ų3616 Ų1614%0.13611%0.109CC..  trans4836.7178.661.9179.4166.4169.34.2114.7G10 D14 C19 G34 M35 H36 R43 N439G10-R17 CarbonylContact C-O 3.49Å; G10-R17 VanDerWaalsContact CA-O 3.26Å; G10-R17 WeakPolarHBondContact CA-O 3.18Å; D14-R17 IonicContact OD2-CZ 2.79Å; D14-R17 IonicContact OD2-NE 2.7Å; D14-R17 PolarHBondContact OD2-NE 3.27Å; D14-R17 IonicContact OD2-NH2 3.99Å; D14-R17 PolarHBondContact OD2-NH2 2.84Å; R17-C19 PolarHBondContact O-N 2.91Å; R17-C19 VanDerWaalsContact O-N 3.14Å; R17-G34 WeakPolarHBondContact CA-O 3.45Å; R17-M35 PolarHBondContact N-O 3.31Å; R17-H36 HydrophobicContact CB-CB 3.96Å; R17-H36 HydrophobicContact CG-CB 3.87Å; R17-R43 PolarHBondContact NH1-O 3.1Å; R17-N439 PolarHBondContact NH2-ND2 2.64Å
18S97.6Very high94.9Very high1 Ų116.9 Ų16.91%0.00711%0.114CC..  trans-52.6120.9-179.7-63.20000110.8A11 G16 D32 C33 G34 D72 H73 H413A11-S18 WeakPolarHBondContact CB-OG 3.45Å; G16-S18 PolarHBondContact O-N 3.37Å; G16-S18 VanDerWaalsContact O-N 3.15Å; S18-D32 CarbonylContact O-C 3.51Å; S18-D32 VanDerWaalsContact O-C 3.31Å; S18-C33 WeakPolarHBondContact O-CA 3.19Å; S18-C33 PolarHBondContact O-N 3.06Å; S18-G34 PolarHBondContact O-N 3.48Å; S18-D72 WeakPolarHBondContact CB-O 3.42Å; S18-D72 PolarHBondContact N-O 3.21Å; S18-D72 PolarHBondContact OG-O 2.81Å; S18-H73 PolarHBondContact OG-CE1 3.24Å; S18-H73 VanDerWaalsContact OG-CE1 3.32Å; S18-H413 PolarHBondContact OG-CD2 2.8Å
19C98.2Very high94.9Very high0 Ų016.9 Ų16.90%011%0.114CC..EExtended strand (participates in β ladder)trans-161.3104.6177.5-1730000108.6L9 G10 R17 F31 D32 P46L9-C19 HydrophobicContact CB-CB 4.18Å; L9-C19 PolarHBondContact N-O 2.99Å; G10-C19 PolarHBondContact N-O 2.95Å; R17-C19 PolarHBondContact O-N 2.91Å; R17-C19 VanDerWaalsContact O-N 3.14Å; C19-F31 WeakPolarHBondContact CA-O 3.45Å; C19-D32 WeakPolarHBondContact CA-O 3.37Å; C19-D32 PolarHBondContact SG-O 2.9Å; C19-P46 HydrophobicContact CB-CB 3.62Å; C19-P46 HydrophobicContact CB-CG 3.53Å
20I98.3Very high95Very high1 Ų116.8 Ų16.81%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-118.2117.5-174.8-48.5-59.8000108.9V6 P8 G10 V22 F31 Y175 I201 V412V6-I20 HydrophobicContact CG1-CG2 3.58Å; P8-I20 HydrophobicContact CB-CD1 3.72Å; P8-I20 HydrophobicContact CG-CD1 4.37Å; G10-I20 WeakPolarHBondContact O-CD1 3.16Å; I20-V22 HydrophobicContact CG2-CG2 4.19Å; I20-F31 HydrophobicContact CB-CB 4.37Å; I20-F31 PolarHBondContact N-O 2.73Å; I20-F31 PolarHBondContact O-N 3.01Å; I20-Y175 HydrophobicContact CG1-CE2 4.07Å; I20-I201 HydrophobicContact CG2-CD1 4.16Å; I20-V412 HydrophobicContact CD1-CB 4.27Å; I20-V412 HydrophobicContact CD1-CG1 3.78Å; I20-V412 HydrophobicContact CG1-CG1 4.37Å
21L97.5Very high95.1Very high1 Ų116.8 Ų16.81%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-91.7129.2174.617670.6000110.2V6 I7 N28 I51 Y60 L61V6-L21 CarbonylContact C-O 3.47Å; V6-L21 VanDerWaalsContact CA-O 3.32Å; V6-L21 WeakPolarHBondContact CA-O 3.4Å; I7-L21 HydrophobicContact CD1-CD2 4.12Å; I7-L21 PolarHBondContact N-O 3.4Å; I7-L21 PolarHBondContact O-N 3.15Å; L21-N28 HydrophobicContact CD1-CB 4.41Å; L21-I51 HydrophobicContact CD2-CG2 3.64Å; L21-Y60 HydrophobicContact CD1-CE1 3.96Å; L21-Y60 HydrophobicContact CD2-CE1 3.64Å; L21-Y60 HydrophobicContact CG-CE1 4.41Å; L21-L61 HydrophobicContact CD1-CD2 3.6Å
22V97.8Very high95.3Very high1 Ų116.8 Ų16.81%0.00611%0.113CC..EExtended strand (participates in β ladder)trans-125.9122.7178.8176.80000109.9I4 R5 V6 I20 L24 N28 I29 F31 V173 I201I4-V22 HydrophobicContact CG2-CG1 3.74Å; R5-V22 CarbonylContact O-C 3.56Å; R5-V22 WeakPolarHBondContact O-CA 3.32Å; V6-V22 HydrophobicContact CG1-CG2 4.06Å; V6-V22 HydrophobicContact CG2-CG1 4.44Å; V6-V22 HydrophobicContact CG2-CG2 4.08Å; I20-V22 HydrophobicContact CG2-CG2 4.19Å; V22-L24 HydrophobicContact CG1-CB 4.33Å; V22-N28 WeakPolarHBondContact O-CA 3.42Å; V22-I29 PolarHBondContact N-O 3.41Å; V22-I29 PolarHBondContact O-N 2.9Å; V22-F31 HydrophobicContact CB-CD2 4.35Å; V22-F31 HydrophobicContact CB-CE2 3.92Å; V22-F31 HydrophobicContact CG2-CD2 3.77Å; V22-F31 HydrophobicContact CG2-CE2 3.62Å; V22-V173 HydrophobicContact CG1-CG2 4.05Å; V22-I201 HydrophobicContact CG2-CD1 3.77Å
23T96.5Very high95.4Very high28 Ų2816.7 Ų16.717%0.17211%0.112CC..EExtended strand (participates in β ladder)trans-97117.4166.6-48.50000109.3I4 R5 K27 N28I4-T23 WeakPolarHBondContact CA-O 3.33Å; R5-T23 PolarHBondContact N-O 3Å; R5-T23 PolarHBondContact O-N 3.18Å; T23-K27 CarbonylContact C-O 3.44Å; T23-K27 WeakPolarHBondContact CA-O 3.32Å; T23-N28 VanDerWaalsContact CB-OD1 3.31Å; T23-N28 WeakPolarHBondContact CB-OD1 3.36Å; T23-N28 VanDerWaalsContact CG2-OD1 3.24Å; T23-N28 WeakPolarHBondContact CG2-OD1 3.42Å; T23-N28 PolarHBondContact OG1-OD1 3.23Å
24L94.8Very high95.5Very high0 Ų013.9 Ų13.90%010%0.099CC..EExtended strand (participates in β ladder)trans-133.4118-176.3-176.469.7000109.3I4 V22 G26 K27 I29 V166 V168 N171 V173I4-L24 HydrophobicContact CB-CD1 4.32Å; I4-L24 HydrophobicContact CD1-CD1 3.46Å; I4-L24 VanDerWaalsContact CD1-CD1 3.46Å; I4-L24 HydrophobicContact CG1-CD1 3.45Å; I4-L24 VanDerWaalsContact CG1-CD1 3.45Å; I4-L24 HydrophobicContact CG2-CD1 4.13Å; V22-L24 HydrophobicContact CG1-CB 4.33Å; L24-G26 PolarHBondContact O-N 3.11Å; L24-K27 PolarHBondContact N-O 3.24Å; L24-K27 WeakPolarHBondContact O-CB 3.43Å; L24-K27 PolarHBondContact O-N 3.49Å; L24-I29 HydrophobicContact CB-CD1 4.43Å; L24-V166 HydrophobicContact CD2-CG1 4.27Å; L24-V168 HydrophobicContact CB-CG2 4.4Å; L24-V168 HydrophobicContact CD2-CB 4.21Å; L24-V168 HydrophobicContact CD2-CG2 4Å; L24-V168 HydrophobicContact CG-CB 4.09Å; L24-V168 HydrophobicContact CG-CG2 4.14Å; L24-N171 HydrophobicContact CD1-CB 3.36Å; L24-N171 HydrophobicContact CG-CB 4.05Å; L24-V173 HydrophobicContact CD1-CG2 4.02Å; L24-V173 HydrophobicContact CD2-CG2 4.08Å
25G90.1Very high95.5Very high43 Ų4312.3 Ų12.344%0.4439%0.09SC..THydrogen-bonded Turntrans58.929.5176.800000114.7K27G25-K27 VanDerWaalsContact C-N 3.32Å
26G91.1Very high95.5Very high67 Ų6712.1 Ų12.169%0.6919%0.088SC*.THydrogen-bonded Turntrans89.1-10.9-176.400000114.7L24L24-G26 PolarHBondContact O-N 3.11Å
27K95.1Very high95Very high35 Ų3514.8 Ų14.815%0.15210%0.1CC..EExtended strand (participates in β ladder)trans-92.7142.4177.1-57.1-71.6175.7172.60111.4T23 L24 G25 I29 D62 D145 E147 L148 V168T23-K27 CarbonylContact C-O 3.44Å; T23-K27 WeakPolarHBondContact CA-O 3.32Å; L24-K27 PolarHBondContact N-O 3.24Å; L24-K27 WeakPolarHBondContact O-CB 3.43Å; L24-K27 PolarHBondContact O-N 3.49Å; G25-K27 VanDerWaalsContact C-N 3.32Å; K27-I29 HydrophobicContact CB-CD1 3.94Å; K27-D62 WeakPolarHBondContact CA-OD2 3.35Å; K27-D62 WeakPolarHBondContact CB-OD2 3.33Å; K27-D62 HydrophobicContact CD-CB 4.4Å; K27-D62 VanDerWaalsContact CD-CG 3.49Å; K27-D62 VanDerWaalsContact CD-OD1 3.23Å; K27-D62 WeakPolarHBondContact CD-OD1 3.47Å; K27-D62 IonicContact NZ-OD1 3.28Å; K27-D62 PolarHBondContact NZ-OD1 2.86Å; K27-D145 WeakPolarHBondContact CE-OD2 3.44Å; K27-D145 IonicContact NZ-OD1 2.62Å; K27-D145 IonicContact NZ-OD2 3.08Å; K27-D145 PolarHBondContact NZ-OD2 3.25Å; K27-E147 WeakPolarHBondContact CE-OE2 3.44Å; K27-L148 HydrophobicContact CB-CD2 4.49Å; K27-L148 HydrophobicContact CG-CB 4.35Å; K27-V168 HydrophobicContact CB-CG2 4.07Å; K27-V168 HydrophobicContact CG-CG1 4.07Å; K27-V168 HydrophobicContact CG-CG2 3.93Å
28N95.9Very high94.2Very high22 Ų2214.7 Ų14.712%0.11811%0.11CC..EExtended strand (participates in β ladder)trans-110.7115.3176.9-69.8-39.3000110.4L21 V22 T23 Y60 L61 D62L21-N28 HydrophobicContact CD1-CB 4.41Å; V22-N28 WeakPolarHBondContact O-CA 3.42Å; T23-N28 VanDerWaalsContact CB-OD1 3.31Å; T23-N28 WeakPolarHBondContact CB-OD1 3.36Å; T23-N28 VanDerWaalsContact CG2-OD1 3.24Å; T23-N28 WeakPolarHBondContact CG2-OD1 3.42Å; T23-N28 PolarHBondContact OG1-OD1 3.23Å; N28-Y60 HydrophobicContact CB-CE1 4.44Å; N28-Y60 WeakPolarHBondContact CB-O 3.44Å; N28-Y60 PolarHBondContact ND2-O 3.2Å; N28-L61 HydrophobicContact CB-CD2 4.39Å; N28-D62 PolarHBondContact N-OD2 2.82Å; N28-D62 PolarHBondContact O-N 2.81Å
29I97.8Very high93.4Very high0 Ų017.7 Ų17.70%012%0.122CC..EExtended strand (participates in β ladder)trans-116.4130.2-179-56.891.7000108.7V22 L24 K27 F31 I65 L148 V166V22-I29 PolarHBondContact N-O 3.41Å; V22-I29 PolarHBondContact O-N 2.9Å; L24-I29 HydrophobicContact CB-CD1 4.43Å; K27-I29 HydrophobicContact CB-CD1 3.94Å; I29-F31 HydrophobicContact CB-CE2 4.47Å; I29-F31 HydrophobicContact CG2-CD2 4.45Å; I29-F31 HydrophobicContact CG2-CE1 4.26Å; I29-F31 HydrophobicContact CG2-CE2 4.08Å; I29-F31 HydrophobicContact CG2-CZ 3.99Å; I29-I65 HydrophobicContact CG2-CD1 3.7Å; I29-I65 HydrophobicContact CG2-CG1 4.13Å; I29-L148 HydrophobicContact CD1-CD1 4.03Å; I29-L148 HydrophobicContact CD1-CD2 4.43Å; I29-L148 HydrophobicContact CG1-CD1 4.15Å; I29-L148 HydrophobicContact CG1-CD2 4.08Å; I29-V166 HydrophobicContact CD1-CG1 4.18Å; I29-V166 HydrophobicContact CG1-CG1 4.23Å
30M98.2Very high92.5Very high0 Ų022.5 Ų22.50%015%0.148CC..EExtended strand (participates in β ladder)trans-101.4120.9171.7-178.1179.9-73.700110.1L9 F48 I51 L61 C63 V64 I65 M80L9-M30 HydrophobicContact CD1-CE 4.1Å; M30-F48 HydrophobicContact CE-CD1 4.44Å; M30-F48 HydrophobicContact CE-CE1 4.05Å; M30-F48 HydrophobicContact SD-CE1 4.42Å; M30-I51 HydrophobicContact CE-CD1 3.85Å; M30-L61 HydrophobicContact CB-CD1 4.41Å; M30-L61 HydrophobicContact CB-CD2 4.17Å; M30-L61 HydrophobicContact CE-CD1 3.88Å; M30-L61 HydrophobicContact CE-CD2 4.38Å; M30-L61 HydrophobicContact SD-CD1 4.43Å; M30-C63 PolarHBondContact N-O 2.82Å; M30-C63 VanDerWaalsContact N-O 3.1Å; M30-V64 HydrophobicContact CB-CG2 4.17Å; M30-V64 CarbonylContact O-C 3.55Å; M30-V64 WeakPolarHBondContact O-CA 3.34Å; M30-V64 HydrophobicContact SD-CG2 4.47Å; M30-I65 PolarHBondContact O-N 2.93Å; M30-M80 HydrophobicContact CE-SD 4.36Å; M30-M80 HydrophobicContact SD-SD 3.52Å
31F98.6Very high91.8Very high1 Ų125.6 Ų25.60%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-96.8122.8173-63.8-79.7000110.5C19 I20 V22 I29 I65 F164 V166 V173 Y175C19-F31 WeakPolarHBondContact CA-O 3.45Å; I20-F31 HydrophobicContact CB-CB 4.37Å; I20-F31 PolarHBondContact N-O 2.73Å; I20-F31 PolarHBondContact O-N 3.01Å; V22-F31 HydrophobicContact CB-CD2 4.35Å; V22-F31 HydrophobicContact CB-CE2 3.92Å; V22-F31 HydrophobicContact CG2-CD2 3.77Å; V22-F31 HydrophobicContact CG2-CE2 3.62Å; I29-F31 HydrophobicContact CB-CE2 4.47Å; I29-F31 HydrophobicContact CG2-CD2 4.45Å; I29-F31 HydrophobicContact CG2-CE1 4.26Å; I29-F31 HydrophobicContact CG2-CE2 4.08Å; I29-F31 HydrophobicContact CG2-CZ 3.99Å; F31-I65 HydrophobicContact CD1-CB 4.06Å; F31-I65 HydrophobicContact CD1-CD1 4.28Å; F31-I65 HydrophobicContact CD1-CG2 4.31Å; F31-I65 HydrophobicContact CE1-CB 4.42Å; F31-I65 HydrophobicContact CE1-CD1 3.79Å; F31-F164 HydrophobicContact CE1-CB 4.3Å; F31-V166 HydrophobicContact CE1-CG2 3.64Å; F31-V166 HydrophobicContact CZ-CB 4.18Å; F31-V166 HydrophobicContact CZ-CG2 3.46Å; F31-V166 VanDerWaalsContact CZ-CG2 3.46Å; F31-V173 HydrophobicContact CE2-CG1 4.46Å; F31-Y175 HydrophobicContact CB-CD1 3.76Å; F31-Y175 HydrophobicContact CB-CD2 3.88Å; F31-Y175 HydrophobicContact CB-CE1 3.83Å; F31-Y175 HydrophobicContact CB-CE2 3.97Å; F31-Y175 HydrophobicContact CB-CG 3.78Å; F31-Y175 VanDerWaalsContact CD1-CB 3.49Å; F31-Y175 AromaticContact CD1-CD1 3.61Å; F31-Y175 HydrophobicContact CD1-CD1 3.61Å; F31-Y175 HydrophobicContact CD1-CD2 4.39Å; F31-Y175 HydrophobicContact CD1-CE1 4.46Å; F31-Y175 AromaticContact CD1-CG 3.57Å; F31-Y175 HydrophobicContact CD1-CG 3.57Å; F31-Y175 HydrophobicContact CD2-CD2 4.44Å; F31-Y175 HydrophobicContact CD2-CG 4.33Å; F31-Y175 HydrophobicContact CE1-CD1 4.44Å; F31-Y175 HydrophobicContact CE1-CG 4.16Å; F31-Y175 AromaticContact CG-CD1 3.9Å; F31-Y175 HydrophobicContact CG-CD1 3.9Å; F31-Y175 HydrophobicContact CG-CD2 4.01Å; F31-Y175 HydrophobicContact CG-CE1 4.47Å; F31-Y175 AromaticContact CG-CG 3.64Å; F31-Y175 HydrophobicContact CG-CG 3.64Å
32D98.5Very high91.3Very high0 Ų031.6 Ų31.60%020%0.196CC..  trans56.4158.4-176.1-72-33.1000114.5S18 C19 I65 I66 S67 H73 Y175S18-D32 CarbonylContact O-C 3.51Å; S18-D32 VanDerWaalsContact O-C 3.31Å; C19-D32 WeakPolarHBondContact CA-O 3.37Å; C19-D32 PolarHBondContact SG-O 2.9Å; D32-I65 PolarHBondContact N-O 2.98Å; D32-I66 VanDerWaalsContact OD1-CA 3.22Å; D32-I66 WeakPolarHBondContact OD1-CA 3.42Å; D32-S67 VanDerWaalsContact CG-OG 3.32Å; D32-S67 PolarHBondContact OD1-N 3.37Å; D32-S67 PolarHBondContact OD1-OG 3.09Å; D32-S67 WeakPolarHBondContact OD2-CB 3.29Å; D32-S67 PolarHBondContact OD2-OG 2.88Å; D32-H73 HydrophobicContact CB-CB 4.25Å; D32-H73 WeakPolarHBondContact CB-O 3.19Å; D32-H73 IonicContact OD2-CE1 3.82Å; D32-H73 IonicContact OD2-CG 2.74Å; D32-H73 IonicContact OD2-ND1 2.79Å; D32-H73 PolarHBondContact OD2-ND1 2.83Å; D32-Y175 VanDerWaalsContact OD2-CE1 3.24Å; D32-Y175 WeakPolarHBondContact OD2-CE1 3.13Å; D32-Y175 PolarHBondContact OD2-OH 3.21Å
33C97.8Very high90.8Very high0 Ų037.8 Ų37.80%022%0.22CC..  trans-151.676.3175.3-177.60000108.6S18 I66 H73 C74 G75 A76 L77 M80S18-C33 WeakPolarHBondContact O-CA 3.19Å; S18-C33 PolarHBondContact O-N 3.06Å; C33-I66 HydrophobicContact CB-CD1 4.48Å; C33-H73 CarbonylContact C-O 3.55Å; C33-H73 VanDerWaalsContact C-O 3.3Å; C33-H73 PolarHBondContact N-O 3.11Å; C33-C74 CarbonylContact O-C 3.49Å; C33-C74 VanDerWaalsContact O-CA 3.3Å; C33-C74 WeakPolarHBondContact O-CA 3.42Å; C33-G75 PolarHBondContact O-N 3.38Å; C33-A76 WeakPolarHBondContact O-CA 3.44Å; C33-A76 PolarHBondContact O-N 3.47Å; C33-L77 HydrophobicContact CB-CD1 4.06Å; C33-L77 PolarHBondContact O-N 3.28Å; C33-M80 HydrophobicContact CB-SD 4.3Å
34G96.5Very high90.5Very high0 Ų036.9 Ų36.90%021%0.213CC..  trans-94.1178.5-175.100000115.8R17 S18 P46 L71 D72 H73 A76R17-G34 WeakPolarHBondContact CA-O 3.45Å; S18-G34 PolarHBondContact O-N 3.48Å; G34-P46 WeakPolarHBondContact O-CD 3.17Å; G34-L71 CarbonylContact C-O 3.52Å; G34-L71 WeakPolarHBondContact CA-O 3.45Å; G34-D72 VanDerWaalsContact CA-C 3.44Å; G34-D72 WeakPolarHBondContact CA-O 3.45Å; G34-H73 PolarHBondContact N-O 3Å; G34-A76 WeakPolarHBondContact O-CB 3.21Å
35M91.6Very high90.4Very high0 Ų037.4 Ų37.40%022%0.216CC..  trans-119.6150.7170-75.4177.379.600112.4R17 M37 K44 F45 L71 D72 G75 A76 Y107 F120 F121R17-M35 PolarHBondContact N-O 3.31Å; M35-M37 HydrophobicContact CB-CE 3.35Å; M35-M37 WeakPolarHBondContact O-CE 3.42Å; M35-K44 CarbonylContact C-O 3.58Å; M35-K44 WeakPolarHBondContact CA-O 3.47Å; M35-K44 HydrophobicContact CE-CB 4.04Å; M35-K44 HydrophobicContact CE-CD 3.43Å; M35-K44 VanDerWaalsContact CE-CD 3.43Å; M35-K44 HydrophobicContact CE-CG 3.48Å; M35-K44 VanDerWaalsContact CE-CG 3.48Å; M35-F45 HydrophobicContact CE-CD1 4.21Å; M35-F45 HydrophobicContact CE-CE1 3.6Å; M35-F45 HydrophobicContact CE-CZ 3.92Å; M35-F45 HydrophobicContact CG-CD1 3.96Å; M35-F45 HydrophobicContact CG-CE1 4.02Å; M35-F45 HydrophobicContact SD-CD1 4.37Å; M35-F45 HydrophobicContact SD-CE1 3.81Å; M35-L71 PolarHBondContact N-O 3.01Å; M35-D72 WeakPolarHBondContact O-CA 3.49Å; M35-G75 VanDerWaalsContact CG-C 3.5Å; M35-A76 HydrophobicContact CG-CB 3.76Å; M35-Y107 HydrophobicContact CE-CE1 3.71Å; M35-Y107 HydrophobicContact SD-CD1 4.38Å; M35-Y107 HydrophobicContact SD-CE1 3.73Å; M35-F120 HydrophobicContact CE-CE2 3.62Å; M35-F120 HydrophobicContact CE-CZ 3.89Å; M35-F120 HydrophobicContact SD-CE2 4.16Å; M35-F120 HydrophobicContact SD-CZ 3.91Å; M35-F121 HydrophobicContact SD-CE1 4.35Å
36H89.4Confident90.6Very high13 Ų1335.6 Ų35.66%0.0620%0.196CC..  trans-91.8113.6174.8-173.6-75.3000110.3D14 V15 R17 G38 Y39 K44D14-H36 IonicContact OD1-CD2 3.28Å; D14-H36 IonicContact OD1-NE2 3.49Å; D14-H36 IonicContact OD2-CD2 3.94Å; V15-H36 PolarHBondContact O-CD2 2.88Å; V15-H36 VanDerWaalsContact O-CD2 3.23Å; V15-H36 PolarHBondContact O-NE2 3.36Å; R17-H36 HydrophobicContact CB-CB 3.96Å; R17-H36 HydrophobicContact CG-CB 3.87Å; H36-G38 WeakPolarHBondContact ND1-CA 3.3Å; H36-G38 PolarHBondContact ND1-N 2.87Å; H36-G38 PolarHBondContact O-N 3.03Å; H36-Y39 HydrophobicContact CB-CD2 3.87Å; H36-Y39 HydrophobicContact CB-CE2 4.48Å; H36-Y39 AromaticContact CE1-CD2 3.7Å; H36-Y39 AromaticContact CE1-CE2 3.59Å; H36-Y39 AromaticContact CG-CD2 3.5Å; H36-Y39 VanDerWaalsContact CG-CD2 3.5Å; H36-Y39 AromaticContact CG-CE2 3.79Å; H36-Y39 AromaticContact ND1-CD2 3.13Å; H36-Y39 WeakPolarHBondContact ND1-CD2 3.24Å; H36-Y39 AromaticContact ND1-CE2 3.51Å; H36-Y39 AromaticContact ND1-CG 3.87Å; H36-Y39 PolarHBondContact ND1-N 3.48Å; H36-Y39 AromaticContact NE2-CE2 3.91Å; H36-Y39 PolarHBondContact O-N 3.43Å; H36-K44 PolarHBondContact N-O 3.45Å
37M79.8Confident90.6Very high62 Ų6235.6 Ų35.631%0.30518%0.18SC..THydrogen-bonded Turntrans-70.9-14.6-172.7-62-61.4102.600114.5M35 L71 Y107M35-M37 HydrophobicContact CB-CE 3.35Å; M35-M37 WeakPolarHBondContact O-CE 3.42Å; M37-L71 HydrophobicContact CE-CB 3.8Å; M37-L71 HydrophobicContact CE-CD1 4.44Å; M37-L71 HydrophobicContact SD-CB 4.04Å; M37-L71 HydrophobicContact SD-CD1 3.89Å; M37-Y107 HydrophobicContact CE-CE1 4.42Å; M37-Y107 HydrophobicContact CE-CE2 4.28Å; M37-Y107 HydrophobicContact SD-CD2 4.36Å; M37-Y107 HydrophobicContact SD-CE2 3.69Å
38G77Confident90.2Very high34 Ų3434.4 Ų34.435%0.35118%0.175SC..THydrogen-bonded Turntrans-84.2-12.7177.200000115H36H36-G38 WeakPolarHBondContact ND1-CA 3.3Å; H36-G38 PolarHBondContact ND1-N 2.87Å; H36-G38 PolarHBondContact O-N 3.03Å
39Y81.2Confident89.7Confident64 Ų6437.2 Ų37.225%0.25119%0.193SC..  trans-106.3143.5179.3-65.1-60.8000110.7H36 R43H36-Y39 HydrophobicContact CB-CD2 3.87Å; H36-Y39 HydrophobicContact CB-CE2 4.48Å; H36-Y39 AromaticContact CE1-CD2 3.7Å; H36-Y39 AromaticContact CE1-CE2 3.59Å; H36-Y39 AromaticContact CG-CD2 3.5Å; H36-Y39 VanDerWaalsContact CG-CD2 3.5Å; H36-Y39 AromaticContact CG-CE2 3.79Å; H36-Y39 AromaticContact ND1-CD2 3.13Å; H36-Y39 WeakPolarHBondContact ND1-CD2 3.24Å; H36-Y39 AromaticContact ND1-CE2 3.51Å; H36-Y39 AromaticContact ND1-CG 3.87Å; H36-Y39 PolarHBondContact ND1-N 3.48Å; H36-Y39 AromaticContact NE2-CE2 3.91Å; H36-Y39 PolarHBondContact O-N 3.43Å; Y39-R43 HydrophobicContact CD1-CB 4.18Å; Y39-R43 VanDerWaalsContact CD1-CZ 3.49Å; Y39-R43 HydrophobicContact CD2-CB 3.84Å; Y39-R43 VanDerWaalsContact CE1-CZ 3.46Å; Y39-R43 HydrophobicContact CE2-CB 4.3Å; Y39-R43 HydrophobicContact CG-CB 3.81Å
40N78.7Confident88.9Confident100 Ų10042.9 Ų42.954%0.53522%0.215SC..SBendtrans-107.7-15.1174.5-61.3-42.1000112.5K44 R115N40-K44 PolarHBondContact O-NZ 3.21Å; N40-R115 PolarHBondContact OD1-NH1 3.12Å
41D84.6Confident88.2Confident67 Ų6743.1 Ų43.136%0.35822%0.216SC..SBendtrans-94.1-174.1174.757.934.6000111.1R43 K44D41-R43 VanDerWaalsContact CG-NE 3.34Å; D41-R43 PolarHBondContact O-N 3.45Å; D41-R43 WeakPolarHBondContact OD1-CB 3.38Å; D41-R43 WeakPolarHBondContact OD1-CG 3.44Å; D41-R43 IonicContact OD1-CZ 2.92Å; D41-R43 PolarHBondContact OD1-N 2.99Å; D41-R43 VanDerWaalsContact OD1-N 3.13Å; D41-R43 IonicContact OD1-NE 2.74Å; D41-R43 PolarHBondContact OD1-NE 3.06Å; D41-R43 IonicContact OD1-NH2 2.82Å; D41-R43 IonicContact OD2-CZ 2.79Å; D41-R43 VanDerWaalsContact OD2-CZ 3.25Å; D41-R43 IonicContact OD2-NE 3.91Å; D41-R43 PolarHBondContact OD2-NE 2.9Å; D41-R43 IonicContact OD2-NH2 2.88Å; D41-R43 PolarHBondContact OD2-NH2 3.09Å; D41-K44 WeakPolarHBondContact O-CB 3.39Å; D41-K44 VanDerWaalsContact O-CD 3.29Å; D41-K44 WeakPolarHBondContact O-CD 3.48Å; D41-K44 WeakPolarHBondContact O-CG 3.38Å; D41-K44 PolarHBondContact O-N 2.88Å
42D85.6Confident87.1Confident127 Ų12745.3 Ų45.368%0.67923%0.23SC*.G310 helixtrans-60.6-17.3-174.3-60.6-26.9000114.2K44 F45D42-K44 PolarHBondContact O-N 2.91Å; D42-F45 PolarHBondContact O-N 3.01Å
43R88.9Confident85.9Confident131 Ų13152.2 Ų52.249%0.49427%0.267SS..G310 helixtrans-62.2-14.3173.5-59.5176.9-70.3175.1-6.1112.8R17 Y39 D41 F45R17-R43 PolarHBondContact NH1-O 3.1Å; Y39-R43 HydrophobicContact CD1-CB 4.18Å; Y39-R43 VanDerWaalsContact CD1-CZ 3.49Å; Y39-R43 HydrophobicContact CD2-CB 3.84Å; Y39-R43 VanDerWaalsContact CE1-CZ 3.46Å; Y39-R43 HydrophobicContact CE2-CB 4.3Å; Y39-R43 HydrophobicContact CG-CB 3.81Å; D41-R43 VanDerWaalsContact CG-NE 3.34Å; D41-R43 PolarHBondContact O-N 3.45Å; D41-R43 WeakPolarHBondContact OD1-CB 3.38Å; D41-R43 WeakPolarHBondContact OD1-CG 3.44Å; D41-R43 IonicContact OD1-CZ 2.92Å; D41-R43 PolarHBondContact OD1-N 2.99Å; D41-R43 VanDerWaalsContact OD1-N 3.13Å; D41-R43 IonicContact OD1-NE 2.74Å; D41-R43 PolarHBondContact OD1-NE 3.06Å; D41-R43 IonicContact OD1-NH2 2.82Å; D41-R43 IonicContact OD2-CZ 2.79Å; D41-R43 VanDerWaalsContact OD2-CZ 3.25Å; D41-R43 IonicContact OD2-NE 3.91Å; D41-R43 PolarHBondContact OD2-NE 2.9Å; D41-R43 IonicContact OD2-NH2 2.88Å; D41-R43 PolarHBondContact OD2-NH2 3.09Å; R43-F45 PolarHBondContact O-N 2.96Å
44K89.6Confident84.3Confident8 Ų861 Ų614%0.03531%0.305CS..G310 helixtrans-63.4-26.4171.872.1-164.7174-168.70112.5M35 H36 N40 D41 D42 D117M35-K44 CarbonylContact C-O 3.58Å; M35-K44 WeakPolarHBondContact CA-O 3.47Å; M35-K44 HydrophobicContact CE-CB 4.04Å; M35-K44 HydrophobicContact CE-CD 3.43Å; M35-K44 VanDerWaalsContact CE-CD 3.43Å; M35-K44 HydrophobicContact CE-CG 3.48Å; M35-K44 VanDerWaalsContact CE-CG 3.48Å; H36-K44 PolarHBondContact N-O 3.45Å; N40-K44 PolarHBondContact O-NZ 3.21Å; D41-K44 WeakPolarHBondContact O-CB 3.39Å; D41-K44 VanDerWaalsContact O-CD 3.29Å; D41-K44 WeakPolarHBondContact O-CD 3.48Å; D41-K44 WeakPolarHBondContact O-CG 3.38Å; D41-K44 PolarHBondContact O-N 2.88Å; D42-K44 PolarHBondContact O-N 2.91Å; K44-D117 IonicContact NZ-OD2 3.22Å; K44-D117 PolarHBondContact NZ-OD2 2.94Å
45F93.2Very high83.4Confident12 Ų1262.4 Ų62.45%0.05332%0.32CS..SBendtrans-92159.1178.8-59-67.9000111.8M35 D42 R43 A76 Y79 F120M35-F45 HydrophobicContact CE-CD1 4.21Å; M35-F45 HydrophobicContact CE-CE1 3.6Å; M35-F45 HydrophobicContact CE-CZ 3.92Å; M35-F45 HydrophobicContact CG-CD1 3.96Å; M35-F45 HydrophobicContact CG-CE1 4.02Å; M35-F45 HydrophobicContact SD-CD1 4.37Å; M35-F45 HydrophobicContact SD-CE1 3.81Å; D42-F45 PolarHBondContact O-N 3.01Å; R43-F45 PolarHBondContact O-N 2.96Å; F45-A76 HydrophobicContact CD1-CB 3.8Å; F45-A76 HydrophobicContact CE1-CB 4.44Å; F45-Y79 HydrophobicContact CB-CD1 4.48Å; F45-Y79 HydrophobicContact CB-CE1 4.34Å; F45-Y79 AromaticContact CD1-CD1 3.73Å; F45-Y79 HydrophobicContact CD1-CD1 3.73Å; F45-Y79 HydrophobicContact CD1-CE1 4.25Å; F45-Y79 AromaticContact CD1-CG 3.88Å; F45-Y79 HydrophobicContact CD1-CG 3.88Å; F45-Y79 HydrophobicContact CD2-CD1 4.42Å; F45-Y79 HydrophobicContact CD2-CE1 4.17Å; F45-Y79 HydrophobicContact CD2-CE2 4.42Å; F45-Y79 AromaticContact CE1-CD1 3.98Å; F45-Y79 HydrophobicContact CE1-CD1 3.98Å; F45-Y79 AromaticContact CE1-CD2 3.98Å; F45-Y79 HydrophobicContact CE1-CD2 3.98Å; F45-Y79 AromaticContact CE1-CG 3.61Å; F45-Y79 HydrophobicContact CE1-CG 3.61Å; F45-Y79 HydrophobicContact CE2-CD2 4.12Å; F45-Y79 HydrophobicContact CE2-CE2 4.04Å; F45-Y79 HydrophobicContact CE2-CG 4.42Å; F45-Y79 AromaticContact CG-CD1 3.97Å; F45-Y79 HydrophobicContact CG-CD1 3.97Å; F45-Y79 HydrophobicContact CG-CE1 4Å; F45-Y79 HydrophobicContact CG-CG 4.4Å; F45-Y79 HydrophobicContact CZ-CD1 4.41Å; F45-Y79 AromaticContact CZ-CD2 3.76Å; F45-Y79 HydrophobicContact CZ-CD2 3.76Å; F45-Y79 HydrophobicContact CZ-CE2 4.15Å; F45-Y79 AromaticContact CZ-CG 3.9Å; F45-Y79 HydrophobicContact CZ-CG 3.9Å; F45-F120 HydrophobicContact CZ-CE2 4.16Å
46P93.9Very high83.2Confident5 Ų564.6 Ų64.63%0.03234%0.342CS..  trans-61149.3163.8-2034.1000110.7L9 C19 G34 F48 A76L9-P46 HydrophobicContact CB-CB 4.04Å; C19-P46 HydrophobicContact CB-CB 3.62Å; C19-P46 HydrophobicContact CB-CG 3.53Å; G34-P46 WeakPolarHBondContact O-CD 3.17Å; P46-F48 HydrophobicContact CB-CE1 4.27Å; P46-F48 HydrophobicContact CB-CE2 4.21Å; P46-F48 HydrophobicContact CB-CZ 3.94Å; P46-F48 HydrophobicContact CG-CE2 4.37Å; P46-F48 HydrophobicContact CG-CZ 3.99Å; P46-F48 WeakPolarHBondContact O-CD2 3.39Å; P46-F48 PolarHBondContact O-N 2.74Å; P46-A76 HydrophobicContact CG-CB 4.39Å
47D89.7Confident83.4Confident66 Ų6664.1 Ų64.135%0.35334%0.34SS..  trans-8396.4179.2-167.5-11.3000110.7L9 T49 Y50L9-D47 PolarHBondContact O-N 3.05Å; D47-T49 VanDerWaalsContact C-N 3.27Å; D47-T49 PolarHBondContact O-N 3.18Å; D47-T49 WeakPolarHBondContact OD1-CB 3.5Å; D47-T49 WeakPolarHBondContact OD1-CG2 3.34Å; D47-T49 PolarHBondContact OD1-N 2.7Å; D47-T49 VanDerWaalsContact OD1-N 3.12Å; D47-T49 PolarHBondContact OD1-OG1 2.84Å; D47-Y50 HydrophobicContact CB-CD2 3.92Å; D47-Y50 HydrophobicContact CB-CE2 3.95Å; D47-Y50 WeakPolarHBondContact OD2-CE2 3.29Å
48F88.4Confident83.9Confident11 Ų1164.6 Ų64.65%0.04834%0.344CS..THydrogen-bonded Turntrans-78-9.4-179.4-62.1-70.6000113.5L9 M30 P46 Y50 I51 T52 Y79 M80 I84L9-F48 HydrophobicContact CD1-CD1 4.35Å; M30-F48 HydrophobicContact CE-CD1 4.44Å; M30-F48 HydrophobicContact CE-CE1 4.05Å; M30-F48 HydrophobicContact SD-CE1 4.42Å; P46-F48 HydrophobicContact CB-CE1 4.27Å; P46-F48 HydrophobicContact CB-CE2 4.21Å; P46-F48 HydrophobicContact CB-CZ 3.94Å; P46-F48 HydrophobicContact CG-CE2 4.37Å; P46-F48 HydrophobicContact CG-CZ 3.99Å; P46-F48 WeakPolarHBondContact O-CD2 3.39Å; P46-F48 PolarHBondContact O-N 2.74Å; F48-Y50 PolarHBondContact O-N 2.88Å; F48-Y50 VanDerWaalsContact O-N 3.17Å; F48-I51 HydrophobicContact CD1-CD1 4.19Å; F48-I51 VanDerWaalsContact O-CG1 3.25Å; F48-I51 WeakPolarHBondContact O-CG1 3.38Å; F48-I51 PolarHBondContact O-N 3.46Å; F48-T52 HydrophobicContact CB-CG2 4.19Å; F48-T52 WeakPolarHBondContact O-CG2 3.45Å; F48-T52 PolarHBondContact O-N 2.81Å; F48-T52 PolarHBondContact O-OG1 2.89Å; F48-Y79 HydrophobicContact CD2-CE1 4.38Å; F48-Y79 HydrophobicContact CE2-CD1 4.18Å; F48-Y79 HydrophobicContact CE2-CE1 4.27Å; F48-M80 HydrophobicContact CE1-CB 4.33Å; F48-M80 HydrophobicContact CE1-CG 3.75Å; F48-M80 HydrophobicContact CE1-SD 4.14Å; F48-M80 HydrophobicContact CE2-CB 4.3Å; F48-M80 HydrophobicContact CE2-CG 4.49Å; F48-M80 HydrophobicContact CZ-CB 3.77Å; F48-M80 HydrophobicContact CZ-CG 3.72Å; F48-M80 HydrophobicContact CZ-SD 4.36Å; F48-I84 HydrophobicContact CD2-CG1 4.09Å; F48-I84 HydrophobicContact CE2-CG1 4.5Å
49T85.2Confident84.5Confident80 Ų8071.1 Ų71.149%0.49137%0.365SS..Hα-helixtrans-61.3-28.8-179.3650000112D47 I51D47-T49 VanDerWaalsContact C-N 3.27Å; D47-T49 PolarHBondContact O-N 3.18Å; D47-T49 WeakPolarHBondContact OD1-CB 3.5Å; D47-T49 WeakPolarHBondContact OD1-CG2 3.34Å; D47-T49 PolarHBondContact OD1-N 2.7Å; D47-T49 VanDerWaalsContact OD1-N 3.12Å; D47-T49 PolarHBondContact OD1-OG1 2.84Å; T49-I51 PolarHBondContact O-N 2.94Å; T49-I51 VanDerWaalsContact O-N 3.08Å
50Y80.8Confident85Confident119 Ų11970.3 Ų70.347%0.46736%0.362SS..Hα-helixtrans-59.4-17.3173.3-72.9-80.8000115.4L9 D47 F48L9-Y50 HydrophobicContact CD2-CD2 4.25Å; L9-Y50 HydrophobicContact CD2-CG 4.26Å; D47-Y50 HydrophobicContact CB-CD2 3.92Å; D47-Y50 HydrophobicContact CB-CE2 3.95Å; D47-Y50 WeakPolarHBondContact OD2-CE2 3.29Å; F48-Y50 PolarHBondContact O-N 2.88Å; F48-Y50 VanDerWaalsContact O-N 3.17Å
51I83.3Confident85.8Confident5 Ų565.9 Ų65.93%0.02634%0.338CS..Hα-helixtrans-125.2-28.2-177.760176.5000114.3L9 L21 M30 F48 T49 D53 L57 Y60L9-I51 HydrophobicContact CD1-CD1 4.1Å; L21-I51 HydrophobicContact CD2-CG2 3.64Å; M30-I51 HydrophobicContact CE-CD1 3.85Å; F48-I51 HydrophobicContact CD1-CD1 4.19Å; F48-I51 VanDerWaalsContact O-CG1 3.25Å; F48-I51 WeakPolarHBondContact O-CG1 3.38Å; F48-I51 PolarHBondContact O-N 3.46Å; T49-I51 PolarHBondContact O-N 2.94Å; T49-I51 VanDerWaalsContact O-N 3.08Å; I51-D53 PolarHBondContact O-N 2.82Å; I51-L57 HydrophobicContact CD1-CD2 3.35Å; I51-L57 HydrophobicContact CG1-CD2 3.78Å; I51-Y60 HydrophobicContact CB-CD1 4.22Å; I51-Y60 HydrophobicContact CB-CE1 4.1Å; I51-Y60 HydrophobicContact CG2-CD1 4.31Å; I51-Y60 HydrophobicContact CG2-CE1 3.71Å
52T76.3Confident86.4Confident48 Ų4865 Ų6529%0.29433%0.333SS..Hα-helixtrans-77.4-18.8-173.552.50000114.5F48 K54 G55 L57 I84F48-T52 HydrophobicContact CB-CG2 4.19Å; F48-T52 WeakPolarHBondContact O-CG2 3.45Å; F48-T52 PolarHBondContact O-N 2.81Å; F48-T52 PolarHBondContact O-OG1 2.89Å; T52-K54 PolarHBondContact O-N 2.89Å; T52-G55 PolarHBondContact O-N 2.77Å; T52-G55 VanDerWaalsContact O-O 3.14Å; T52-L57 HydrophobicContact CG2-CD2 3.98Å; T52-L57 HydrophobicContact CG2-CG 4.48Å; T52-I84 HydrophobicContact CG2-CG2 3.94Å
53D72.2Confident86.9Confident144 Ų14458.9 Ų58.977%0.7730%0.301SS*.THydrogen-bonded Turntrans-63.8-16.5-178.9-72.9-5.3000113.6I51I51-D53 PolarHBondContact O-N 2.82Å
54K65.1Low87.4Confident185 Ų18552.7 Ų52.780%0.80428%0.277SS*.THydrogen-bonded Turntrans-104.4-2.9-175-63.3-173.3-179.9-176.80114.5T52T52-K54 PolarHBondContact O-N 2.89Å
55G78Confident87.8Confident30 Ų3052.3 Ų52.331%0.30928%0.276SS..SBendtrans147.3179.7-174.800000112.7T52T52-G55 PolarHBondContact O-N 2.77Å; T52-G55 VanDerWaalsContact O-O 3.14Å
56G87.2Confident88.1Confident45 Ų4551.7 Ų51.746%0.46427%0.273SS..  trans-70154.6175.800000112.2N58 E59 Y60G56-N58 PolarHBondContact O-N 2.96Å; G56-E59 PolarHBondContact O-N 3.13Å; G56-Y60 PolarHBondContact O-N 3.36Å
57L92.2Very high88.3Confident3 Ų351.5 Ų51.52%0.01627%0.272CS..Hα-helixtrans-60.2-30.2179.9-63.5-179.3000113.1I51 T52 E59 Y60 L61 M80 I84 G85 Y86I51-L57 HydrophobicContact CD1-CD2 3.35Å; I51-L57 HydrophobicContact CG1-CD2 3.78Å; T52-L57 HydrophobicContact CG2-CD2 3.98Å; T52-L57 HydrophobicContact CG2-CG 4.48Å; L57-E59 VanDerWaalsContact C-N 3.33Å; L57-E59 PolarHBondContact O-N 2.62Å; L57-Y60 PolarHBondContact O-N 3.17Å; L57-L61 HydrophobicContact CB-CD1 4.33Å; L57-L61 WeakPolarHBondContact O-CB 3.41Å; L57-L61 PolarHBondContact O-N 2.77Å; L57-M80 HydrophobicContact CD1-CG 3.8Å; L57-I84 HydrophobicContact CD1-CB 4.14Å; L57-I84 HydrophobicContact CD1-CG2 3.58Å; L57-I84 HydrophobicContact CG-CG2 4.05Å; L57-G85 WeakPolarHBondContact CB-O 3.33Å; L57-Y86 HydrophobicContact CB-CD2 3.96Å; L57-Y86 HydrophobicContact CB-CG 4.44Å
58N91.3Very high88.7Confident72 Ų7248.4 Ų48.439%0.38526%0.255SS..Hα-helixtrans-62.9-35179.5-74.1-23.2000113.7G56 Y60 Y86 D87 G88G56-N58 PolarHBondContact O-N 2.96Å; N58-Y60 VanDerWaalsContact C-N 3.34Å; N58-Y86 WeakPolarHBondContact OD1-CA 3.37Å; N58-Y86 WeakPolarHBondContact OD1-CD2 3.4Å; N58-D87 PolarHBondContact ND2-OD2 2.69Å; N58-D87 PolarHBondContact OD1-N 3.31Å; N58-G88 PolarHBondContact OD1-N 3.2Å
59E88.7Confident89Confident172 Ų17247.9 Ų47.980%0.80425%0.253SS*.Hα-helixtrans-81.7-23.4179-63.8175.7170.800111.3G56 L57G56-E59 PolarHBondContact O-N 3.13Å; L57-E59 VanDerWaalsContact C-N 3.33Å; L57-E59 PolarHBondContact O-N 2.62Å
60Y92.5Very high89.3Confident46 Ų4645.7 Ų45.718%0.1824%0.237CC..Hα-helixtrans-92-36.2-175.1-171.6-98.5000113.4R5 L21 N28 I51 G56 L57 N58R5-Y60 PolarHBondContact NH1-OH 2.95Å; L21-Y60 HydrophobicContact CD1-CE1 3.96Å; L21-Y60 HydrophobicContact CD2-CE1 3.64Å; L21-Y60 HydrophobicContact CG-CE1 4.41Å; N28-Y60 HydrophobicContact CB-CE1 4.44Å; N28-Y60 WeakPolarHBondContact CB-O 3.44Å; N28-Y60 PolarHBondContact ND2-O 3.2Å; I51-Y60 HydrophobicContact CB-CD1 4.22Å; I51-Y60 HydrophobicContact CB-CE1 4.1Å; I51-Y60 HydrophobicContact CG2-CD1 4.31Å; I51-Y60 HydrophobicContact CG2-CE1 3.71Å; G56-Y60 PolarHBondContact O-N 3.36Å; L57-Y60 PolarHBondContact O-N 3.17Å; N58-Y60 VanDerWaalsContact C-N 3.34Å
61L95.5Very high89.8Confident8 Ų841.6 Ų41.64%0.04222%0.223CC..  trans-105.8130.2-173.8-62.4175.3000111.8L21 N28 M30 L57 V64 Y86L21-L61 HydrophobicContact CD1-CD2 3.6Å; N28-L61 HydrophobicContact CB-CD2 4.39Å; M30-L61 HydrophobicContact CB-CD1 4.41Å; M30-L61 HydrophobicContact CB-CD2 4.17Å; M30-L61 HydrophobicContact CE-CD1 3.88Å; M30-L61 HydrophobicContact CE-CD2 4.38Å; M30-L61 HydrophobicContact SD-CD1 4.43Å; L57-L61 HydrophobicContact CB-CD1 4.33Å; L57-L61 WeakPolarHBondContact O-CB 3.41Å; L57-L61 PolarHBondContact O-N 2.77Å; L61-V64 HydrophobicContact CD1-CG2 4.23Å; L61-Y86 HydrophobicContact CB-CD2 4.47Å; L61-Y86 HydrophobicContact CB-CE2 3.79Å; L61-Y86 HydrophobicContact CD1-CD2 4.19Å; L61-Y86 HydrophobicContact CD1-CE2 4.12Å
62D96Very high90.3Very high47 Ų4742.9 Ų42.925%0.25123%0.23SC..SBendtrans-80-39.7172.8-62.5-89.1000111.6K27 N28 P89 L148K27-D62 WeakPolarHBondContact CA-OD2 3.35Å; K27-D62 WeakPolarHBondContact CB-OD2 3.33Å; K27-D62 HydrophobicContact CD-CB 4.4Å; K27-D62 VanDerWaalsContact CD-CG 3.49Å; K27-D62 VanDerWaalsContact CD-OD1 3.23Å; K27-D62 WeakPolarHBondContact CD-OD1 3.47Å; K27-D62 IonicContact NZ-OD1 3.28Å; K27-D62 PolarHBondContact NZ-OD1 2.86Å; N28-D62 PolarHBondContact N-OD2 2.82Å; N28-D62 PolarHBondContact O-N 2.81Å; D62-P89 WeakPolarHBondContact O-CG 3.49Å; D62-L148 HydrophobicContact CB-CD2 4.06Å
63C97.5Very high91.3Very high0 Ų040.6 Ų40.60%022%0.216CC..EExtended strand (participates in β ladder)trans-158.6163.1171.167.20000113.9M30 Y86 P89 Y91 V144M30-C63 PolarHBondContact N-O 2.82Å; M30-C63 VanDerWaalsContact N-O 3.1Å; C63-Y86 WeakPolarHBondContact CA-OH 3.12Å; C63-P89 HydrophobicContact CB-CG 3.98Å; C63-Y91 HydrophobicContact CB-CD2 3.91Å; C63-Y91 HydrophobicContact CB-CE2 3.77Å; C63-V144 HydrophobicContact CB-CG1 4.15Å
64V98.4Very high92.5Very high0 Ų033.8 Ų33.80%018%0.179CC..EExtended strand (participates in β ladder)trans-114.3136.8170.6177.70000108.8M30 L61 I66 L77 M80 Y86 P89 I90 Y91M30-V64 HydrophobicContact CB-CG2 4.17Å; M30-V64 CarbonylContact O-C 3.55Å; M30-V64 WeakPolarHBondContact O-CA 3.34Å; M30-V64 HydrophobicContact SD-CG2 4.47Å; L61-V64 HydrophobicContact CD1-CG2 4.23Å; V64-I66 HydrophobicContact CG1-CD1 3.99Å; V64-L77 HydrophobicContact CG1-CD1 4.21Å; V64-M80 HydrophobicContact CG1-CE 4.49Å; V64-M80 HydrophobicContact CG2-CE 3.93Å; V64-Y86 HydrophobicContact CB-CE1 4.25Å; V64-Y86 HydrophobicContact CG2-CD1 4.14Å; V64-Y86 HydrophobicContact CG2-CE1 3.49Å; V64-Y86 VanDerWaalsContact CG2-CE1 3.49Å; V64-Y86 HydrophobicContact CG2-CE2 4.46Å; V64-P89 PolarHBondContact N-O 3.14Å; V64-P89 VanDerWaalsContact N-O 3.07Å; V64-I90 HydrophobicContact CB-CG1 4.25Å; V64-I90 HydrophobicContact CB-CG2 4.49Å; V64-I90 HydrophobicContact CG1-CG2 4.42Å; V64-I90 CarbonylContact O-C 3.56Å; V64-I90 VanDerWaalsContact O-CA 3.31Å; V64-I90 WeakPolarHBondContact O-CA 3.06Å; V64-Y91 PolarHBondContact O-N 2.87Å
65I98.7Very high93.9Very high0 Ų025 Ų250%014%0.141CC..EExtended strand (participates in β ladder)trans-124124.4-178.4-59.2176.5000109.2I29 M30 F31 D32 Y91 I150 F164 V166I29-I65 HydrophobicContact CG2-CD1 3.7Å; I29-I65 HydrophobicContact CG2-CG1 4.13Å; M30-I65 PolarHBondContact O-N 2.93Å; F31-I65 HydrophobicContact CD1-CB 4.06Å; F31-I65 HydrophobicContact CD1-CD1 4.28Å; F31-I65 HydrophobicContact CD1-CG2 4.31Å; F31-I65 HydrophobicContact CE1-CB 4.42Å; F31-I65 HydrophobicContact CE1-CD1 3.79Å; D32-I65 PolarHBondContact N-O 2.98Å; I65-Y91 CarbonylContact C-O 3.26Å; I65-Y91 WeakPolarHBondContact CA-O 3.37Å; I65-I150 HydrophobicContact CD1-CB 4.42Å; I65-I150 HydrophobicContact CD1-CG2 3.8Å; I65-F164 HydrophobicContact CG2-CB 4.01Å; I65-F164 HydrophobicContact CG2-CD1 3.54Å; I65-F164 HydrophobicContact CG2-CD2 3.41Å; I65-F164 VanDerWaalsContact CG2-CD2 3.41Å; I65-F164 HydrophobicContact CG2-CE1 3.7Å; I65-F164 HydrophobicContact CG2-CE2 3.6Å; I65-F164 HydrophobicContact CG2-CG 3.37Å; I65-F164 HydrophobicContact CG2-CZ 3.74Å; I65-V166 HydrophobicContact CD1-CG2 3.73Å
66I98.8Very high94.7Very high0 Ų023.5 Ų23.50%013%0.126CC..  trans-106121.5177.3-51.7-57000110.4D32 C33 V64 H68 C74 L77 I90 Y91 M92 T96D32-I66 VanDerWaalsContact OD1-CA 3.22Å; D32-I66 WeakPolarHBondContact OD1-CA 3.42Å; C33-I66 HydrophobicContact CB-CD1 4.48Å; V64-I66 HydrophobicContact CG1-CD1 3.99Å; I66-H68 WeakPolarHBondContact CG2-O 3.36Å; I66-C74 HydrophobicContact CG2-CB 3.79Å; I66-L77 HydrophobicContact CD1-CD1 4.07Å; I66-L77 HydrophobicContact CD1-CD2 4.3Å; I66-L77 HydrophobicContact CG1-CD2 4.06Å; I66-I90 HydrophobicContact CG1-CG2 4.07Å; I66-Y91 PolarHBondContact N-O 2.81Å; I66-M92 HydrophobicContact CB-CB 3.95Å; I66-M92 HydrophobicContact CB-CE 4.13Å; I66-M92 HydrophobicContact CG1-CE 3.83Å; I66-T96 HydrophobicContact CG2-CG2 4.2Å
67S98.5Very high95.2Very high1 Ų121.4 Ų21.41%0.00710%0.104CC..  trans-70.4-46.4-178.565.30000112.3D32 A161 A162D32-S67 VanDerWaalsContact CG-OG 3.32Å; D32-S67 PolarHBondContact OD1-N 3.37Å; D32-S67 PolarHBondContact OD1-OG 3.09Å; D32-S67 WeakPolarHBondContact OD2-CB 3.29Å; D32-S67 PolarHBondContact OD2-OG 2.88Å; S67-A161 WeakPolarHBondContact O-CA 3.5Å; S67-A162 PolarHBondContact O-N 2.84Å
68H97.3Very high95.4Very high0 Ų021.2 Ų21.20%010%0.104CC..  trans-161.3175.7-17970-75.3000112.8I66 H70 H73 H157 V158 A161 D178I66-H68 WeakPolarHBondContact CG2-O 3.36Å; H68-H70 AromaticContact CD2-CG 3.54Å; H68-H70 AromaticContact CD2-ND1 3.31Å; H68-H70 PolarHBondContact CD2-ND1 2.83Å; H68-H70 VanDerWaalsContact CD2-ND1 3.31Å; H68-H70 WeakPolarHBondContact NE2-CB 3.47Å; H68-H70 AromaticContact NE2-CG 3.52Å; H68-H70 AromaticContact NE2-ND1 3.07Å; H68-H70 PolarHBondContact NE2-ND1 2.83Å; H68-H70 PolarHBondContact O-N 2.64Å; H68-H73 AromaticContact CE1-CD2 3.1Å; H68-H73 PolarHBondContact CE1-CD2 2.75Å; H68-H73 AromaticContact CE1-CE1 3.69Å; H68-H73 AromaticContact CE1-CG 3.22Å; H68-H73 AromaticContact CE1-ND1 3.59Å; H68-H73 AromaticContact CE1-NE2 3.44Å; H68-H73 PolarHBondContact CE1-NE2 2.9Å; H68-H73 AromaticContact ND1-CG 3.7Å; H68-H73 AromaticContact ND1-ND1 3.93Å; H68-H73 AromaticContact NE2-CD2 3.55Å; H68-H73 AromaticContact NE2-CG 3.94Å; H68-H157 AromaticContact CD2-CD2 3.74Å; H68-H157 AromaticContact NE2-CD2 3.67Å; H68-H157 AromaticContact NE2-NE2 3.69Å; H68-V158 HydrophobicContact CB-CG2 3.88Å; H68-A161 HydrophobicContact CB-CB 3.75Å; H68-D178 IonicContact CE1-OD2 2.75Å; H68-D178 IonicContact NE2-OD2 3.39Å
69F95.1Very high95.5Very high1 Ų120.1 Ų20.10%0.0049%0.094CC..SBendtrans-882.6-166.257.3-116.3000115.7C74 T96 I99 L103 V158 L159 L242F69-C74 VanDerWaalsContact C-SG 3.56Å; F69-C74 PolarHBondContact O-SG 2.85Å; F69-T96 HydrophobicContact CB-CG2 4.11Å; F69-I99 HydrophobicContact CB-CB 4.27Å; F69-I99 HydrophobicContact CB-CG2 3.84Å; F69-I99 HydrophobicContact CD1-CB 3.87Å; F69-I99 HydrophobicContact CD1-CD1 3.81Å; F69-I99 HydrophobicContact CD1-CG1 4.45Å; F69-I99 HydrophobicContact CD1-CG2 3.62Å; F69-I99 HydrophobicContact CD2-CG2 3.71Å; F69-I99 HydrophobicContact CE1-CB 4.36Å; F69-I99 HydrophobicContact CE1-CD1 3.49Å; F69-I99 VanDerWaalsContact CE1-CD1 3.49Å; F69-I99 HydrophobicContact CE1-CG2 4Å; F69-I99 HydrophobicContact CE2-CG2 4.12Å; F69-I99 HydrophobicContact CG-CB 4.08Å; F69-I99 HydrophobicContact CG-CG2 3.44Å; F69-I99 VanDerWaalsContact CG-CG2 3.44Å; F69-I99 HydrophobicContact CZ-CD1 4.2Å; F69-I99 HydrophobicContact CZ-CG2 4.24Å; F69-L103 HydrophobicContact CB-CD1 4.23Å; F69-L103 HydrophobicContact CD2-CD1 3.36Å; F69-L103 HydrophobicContact CE2-CD1 4.05Å; F69-L103 HydrophobicContact CG-CD1 4.11Å; F69-L103 WeakPolarHBondContact O-CD1 3.43Å; F69-V158 HydrophobicContact CD1-CG2 4.18Å; F69-V158 HydrophobicContact CD2-CG2 4.46Å; F69-V158 HydrophobicContact CE1-CB 4.01Å; F69-V158 HydrophobicContact CE1-CG2 3.68Å; F69-V158 HydrophobicContact CE2-CB 4.19Å; F69-V158 HydrophobicContact CE2-CG1 4.4Å; F69-V158 HydrophobicContact CE2-CG2 3.97Å; F69-V158 HydrophobicContact CZ-CB 3.57Å; F69-V158 HydrophobicContact CZ-CG1 4.18Å; F69-V158 HydrophobicContact CZ-CG2 3.56Å; F69-L159 HydrophobicContact CE1-CB 4.41Å; F69-L159 WeakPolarHBondContact CE1-O 3.31Å; F69-L242 HydrophobicContact CE2-CB 3.85Å; F69-L242 HydrophobicContact CE2-CD1 4.36Å; F69-L242 HydrophobicContact CZ-CB 3.77Å; F69-L242 HydrophobicContact CZ-CD1 4.42Å
70H92.1Very high95.8Very high34 Ų3412 Ų1216%0.1576%0.056CC..SBendtrans-69149.2178.9-68.2151.1000111H68 D72 H73 C74 H157 V158H68-H70 AromaticContact CD2-CG 3.54Å; H68-H70 AromaticContact CD2-ND1 3.31Å; H68-H70 PolarHBondContact CD2-ND1 2.83Å; H68-H70 VanDerWaalsContact CD2-ND1 3.31Å; H68-H70 WeakPolarHBondContact NE2-CB 3.47Å; H68-H70 AromaticContact NE2-CG 3.52Å; H68-H70 AromaticContact NE2-ND1 3.07Å; H68-H70 PolarHBondContact NE2-ND1 2.83Å; H68-H70 PolarHBondContact O-N 2.64Å; H70-D72 WeakPolarHBondContact CB-OD1 3.42Å; H70-D72 PolarHBondContact O-N 3.4Å; H70-H73 PolarHBondContact O-N 3.19Å; H70-C74 PolarHBondContact O-N 3.27Å; H70-C74 PolarHBondContact O-SG 2.82Å; H70-C74 VanDerWaalsContact O-SG 3.38Å; H70-H157 AromaticContact CE1-CD2 3.95Å; H70-H157 AromaticContact CE1-NE2 3.11Å; H70-H157 PolarHBondContact CE1-NE2 2.88Å; H70-H157 AromaticContact ND1-CD2 3.96Å; H70-H157 AromaticContact ND1-NE2 3.18Å; H70-H157 PolarHBondContact ND1-NE2 2.83Å; H70-H157 VanDerWaalsContact ND1-NE2 3.18Å; H70-V158 VanDerWaalsContact CE1-CG1 3.44Å; H70-V158 WeakPolarHBondContact CE1-CG1 3.34Å
71L91.7Very high96Very high33 Ų339.9 Ų9.917%0.1735%0.048CC..Hα-helixtrans-64.8-26.5-172.4-66.8174.3000112.7G34 M35 M37 H73 G75 L103 L104 Y107G34-L71 CarbonylContact C-O 3.52Å; G34-L71 WeakPolarHBondContact CA-O 3.45Å; M35-L71 PolarHBondContact N-O 3.01Å; M37-L71 HydrophobicContact CE-CB 3.8Å; M37-L71 HydrophobicContact CE-CD1 4.44Å; M37-L71 HydrophobicContact SD-CB 4.04Å; M37-L71 HydrophobicContact SD-CD1 3.89Å; L71-H73 PolarHBondContact O-N 2.85Å; L71-G75 WeakPolarHBondContact O-CA 3.5Å; L71-G75 PolarHBondContact O-N 3.3Å; L71-L103 HydrophobicContact CD2-CB 4.31Å; L71-L104 HydrophobicContact CD2-CD2 4.15Å; L71-Y107 HydrophobicContact CD1-CD1 4.4Å; L71-Y107 HydrophobicContact CD1-CD2 3.69Å; L71-Y107 HydrophobicContact CD1-CE2 4.36Å; L71-Y107 HydrophobicContact CD1-CG 3.71Å
72D93.3Very high95.9Very high32 Ų3211.2 Ų11.217%0.1715%0.054CC..Hα-helixtrans-72.2-5.3171.151.6-23.9000114.8S18 G34 M35 H70 H413S18-D72 WeakPolarHBondContact CB-O 3.42Å; S18-D72 PolarHBondContact N-O 3.21Å; S18-D72 PolarHBondContact OG-O 2.81Å; G34-D72 VanDerWaalsContact CA-C 3.44Å; G34-D72 WeakPolarHBondContact CA-O 3.45Å; M35-D72 WeakPolarHBondContact O-CA 3.49Å; H70-D72 WeakPolarHBondContact CB-OD1 3.42Å; H70-D72 PolarHBondContact O-N 3.4Å; D72-H413 IonicContact OD2-CE1 3.94Å; D72-H413 IonicContact OD2-NE2 3.36Å; D72-H413 PolarHBondContact OD2-NE2 3.2Å
73H97.1Very high95.7Very high0 Ų012.6 Ų12.60%06%0.064CC..Hα-helixtrans-121.8-24.1175.3-70.8-97.3000113.7S18 D32 C33 G34 H68 H70 L71 D178 H413S18-H73 PolarHBondContact OG-CE1 3.24Å; S18-H73 VanDerWaalsContact OG-CE1 3.32Å; D32-H73 HydrophobicContact CB-CB 4.25Å; D32-H73 WeakPolarHBondContact CB-O 3.19Å; D32-H73 IonicContact OD2-CE1 3.82Å; D32-H73 IonicContact OD2-CG 2.74Å; D32-H73 IonicContact OD2-ND1 2.79Å; D32-H73 PolarHBondContact OD2-ND1 2.83Å; C33-H73 CarbonylContact C-O 3.55Å; C33-H73 VanDerWaalsContact C-O 3.3Å; C33-H73 PolarHBondContact N-O 3.11Å; G34-H73 PolarHBondContact N-O 3Å; H68-H73 AromaticContact CE1-CD2 3.1Å; H68-H73 PolarHBondContact CE1-CD2 2.75Å; H68-H73 AromaticContact CE1-CE1 3.69Å; H68-H73 AromaticContact CE1-CG 3.22Å; H68-H73 AromaticContact CE1-ND1 3.59Å; H68-H73 AromaticContact CE1-NE2 3.44Å; H68-H73 PolarHBondContact CE1-NE2 2.9Å; H68-H73 AromaticContact ND1-CG 3.7Å; H68-H73 AromaticContact ND1-ND1 3.93Å; H68-H73 AromaticContact NE2-CD2 3.55Å; H68-H73 AromaticContact NE2-CG 3.94Å; H70-H73 PolarHBondContact O-N 3.19Å; L71-H73 PolarHBondContact O-N 2.85Å; H73-D178 IonicContact CD2-OD2 3.72Å; H73-D178 IonicContact NE2-OD1 2.68Å; H73-D178 IonicContact NE2-OD2 3.7Å; H73-D178 PolarHBondContact NE2-OD2 3.08Å; H73-H413 AromaticContact NE2-CE1 3.66Å; H73-H413 AromaticContact NE2-NE2 3.78Å
74C96.7Very high95.4Very high0 Ų015.4 Ų15.40%08%0.079CC..Hα-helixtrans-132-1.4178.776.10000115C33 I66 F69 H70 A76 L77 C100C33-C74 CarbonylContact O-C 3.49Å; C33-C74 VanDerWaalsContact O-CA 3.3Å; C33-C74 WeakPolarHBondContact O-CA 3.42Å; I66-C74 HydrophobicContact CG2-CB 3.79Å; F69-C74 VanDerWaalsContact C-SG 3.56Å; F69-C74 PolarHBondContact O-SG 2.85Å; H70-C74 PolarHBondContact O-N 3.27Å; H70-C74 PolarHBondContact O-SG 2.82Å; H70-C74 VanDerWaalsContact O-SG 3.38Å; C74-A76 VanDerWaalsContact C-N 3.29Å; C74-A76 PolarHBondContact O-N 3.42Å; C74-L77 WeakPolarHBondContact O-CB 3.45Å; C74-L77 PolarHBondContact O-N 2.93Å; C74-L77 VanDerWaalsContact O-N 3.12Å; C74-C100 PolarHBondContact SG-SG 3.01Å
75G95Very high95.1Very high0 Ų016.8 Ų16.80%09%0.093CC..THydrogen-bonded Turntrans-63-29.9-171.600000114.7C33 M35 L71 F121C33-G75 PolarHBondContact O-N 3.38Å; M35-G75 VanDerWaalsContact CG-C 3.5Å; L71-G75 WeakPolarHBondContact O-CA 3.5Å; L71-G75 PolarHBondContact O-N 3.3Å; G75-F121 WeakPolarHBondContact O-CE1 3.5Å
76A95.7Very high94.9Very high0 Ų016.8 Ų16.80%09%0.093CC..THydrogen-bonded Turntrans-92.1-1.9-179.700000112.1C33 G34 M35 F45 P46 C74 Y79 M80C33-A76 WeakPolarHBondContact O-CA 3.44Å; C33-A76 PolarHBondContact O-N 3.47Å; G34-A76 WeakPolarHBondContact O-CB 3.21Å; M35-A76 HydrophobicContact CG-CB 3.76Å; F45-A76 HydrophobicContact CD1-CB 3.8Å; F45-A76 HydrophobicContact CE1-CB 4.44Å; P46-A76 HydrophobicContact CG-CB 4.39Å; C74-A76 VanDerWaalsContact C-N 3.29Å; C74-A76 PolarHBondContact O-N 3.42Å; A76-Y79 WeakPolarHBondContact O-CB 3.37Å; A76-Y79 PolarHBondContact O-N 3Å; A76-M80 PolarHBondContact O-N 2.86Å
77L97Very high94.7Very high0 Ų021.8 Ų21.80%012%0.12CC..Hα-helixtrans-58.4-46.7-173.1-169.766.5000112.7C33 V64 I66 C74 Y79 M80 T81 I90 M92 C129 M130C33-L77 HydrophobicContact CB-CD1 4.06Å; C33-L77 PolarHBondContact O-N 3.28Å; V64-L77 HydrophobicContact CG1-CD1 4.21Å; I66-L77 HydrophobicContact CD1-CD1 4.07Å; I66-L77 HydrophobicContact CD1-CD2 4.3Å; I66-L77 HydrophobicContact CG1-CD2 4.06Å; C74-L77 WeakPolarHBondContact O-CB 3.45Å; C74-L77 PolarHBondContact O-N 2.93Å; C74-L77 VanDerWaalsContact O-N 3.12Å; L77-Y79 VanDerWaalsContact C-N 3.28Å; L77-Y79 PolarHBondContact O-N 2.74Å; L77-M80 HydrophobicContact CD1-CE 3.78Å; L77-M80 PolarHBondContact O-N 2.95Å; L77-T81 HydrophobicContact CD1-CG2 4.31Å; L77-T81 HydrophobicContact CG-CG2 4.43Å; L77-T81 WeakPolarHBondContact O-CG2 3.43Å; L77-T81 PolarHBondContact O-N 3.34Å; L77-T81 PolarHBondContact O-OG1 3Å; L77-I90 HydrophobicContact CD1-CD1 4.15Å; L77-I90 HydrophobicContact CD2-CD1 4.4Å; L77-I90 HydrophobicContact CD2-CG2 4.3Å; L77-I90 HydrophobicContact CG-CD1 4.41Å; L77-M92 HydrophobicContact CD2-CE 4.05Å; L77-C129 VanDerWaalsContact CG-SG 3.57Å; L77-M130 HydrophobicContact CD2-CE 4.07Å
78P96.4Very high94.5Very high0 Ų022.6 Ų22.60%013%0.128CC..Hα-helixtrans-66.5-29.5176.4-19.232.8000113.6E82 L104 F121 I126 C129P78-E82 WeakPolarHBondContact O-CB 3.4Å; P78-E82 PolarHBondContact O-N 3.12Å; P78-L104 HydrophobicContact CG-CD1 3.63Å; P78-L104 HydrophobicContact CG-CD2 4.08Å; P78-L104 HydrophobicContact CG-CG 4.41Å; P78-F121 HydrophobicContact CB-CB 4.01Å; P78-F121 HydrophobicContact CB-CD1 4.03Å; P78-F121 HydrophobicContact CB-CD2 4.1Å; P78-F121 HydrophobicContact CB-CG 3.79Å; P78-F121 HydrophobicContact CG-CD1 4.36Å; P78-F121 HydrophobicContact CG-CD2 4.26Å; P78-F121 HydrophobicContact CG-CE1 4.37Å; P78-F121 HydrophobicContact CG-CE2 4.29Å; P78-F121 HydrophobicContact CG-CG 4.3Å; P78-F121 HydrophobicContact CG-CZ 4.34Å; P78-I126 HydrophobicContact CB-CG1 4.46Å; P78-I126 HydrophobicContact CG-CG1 4.14Å; P78-C129 HydrophobicContact CB-CB 4.3Å; P78-C129 HydrophobicContact CG-CB 4.45Å
79Y93.9Very high94.5Very high49 Ų4923.9 Ų23.919%0.19214%0.136CC..Hα-helixtrans-67.2-48.6174.8176.7-95.5000110.3F45 F48 A76 L77 V83 I84F45-Y79 HydrophobicContact CB-CD1 4.48Å; F45-Y79 HydrophobicContact CB-CE1 4.34Å; F45-Y79 AromaticContact CD1-CD1 3.73Å; F45-Y79 HydrophobicContact CD1-CD1 3.73Å; F45-Y79 HydrophobicContact CD1-CE1 4.25Å; F45-Y79 AromaticContact CD1-CG 3.88Å; F45-Y79 HydrophobicContact CD1-CG 3.88Å; F45-Y79 HydrophobicContact CD2-CD1 4.42Å; F45-Y79 HydrophobicContact CD2-CE1 4.17Å; F45-Y79 HydrophobicContact CD2-CE2 4.42Å; F45-Y79 AromaticContact CE1-CD1 3.98Å; F45-Y79 HydrophobicContact CE1-CD1 3.98Å; F45-Y79 AromaticContact CE1-CD2 3.98Å; F45-Y79 HydrophobicContact CE1-CD2 3.98Å; F45-Y79 AromaticContact CE1-CG 3.61Å; F45-Y79 HydrophobicContact CE1-CG 3.61Å; F45-Y79 HydrophobicContact CE2-CD2 4.12Å; F45-Y79 HydrophobicContact CE2-CE2 4.04Å; F45-Y79 HydrophobicContact CE2-CG 4.42Å; F45-Y79 AromaticContact CG-CD1 3.97Å; F45-Y79 HydrophobicContact CG-CD1 3.97Å; F45-Y79 HydrophobicContact CG-CE1 4Å; F45-Y79 HydrophobicContact CG-CG 4.4Å; F45-Y79 HydrophobicContact CZ-CD1 4.41Å; F45-Y79 AromaticContact CZ-CD2 3.76Å; F45-Y79 HydrophobicContact CZ-CD2 3.76Å; F45-Y79 HydrophobicContact CZ-CE2 4.15Å; F45-Y79 AromaticContact CZ-CG 3.9Å; F45-Y79 HydrophobicContact CZ-CG 3.9Å; F48-Y79 HydrophobicContact CD2-CE1 4.38Å; F48-Y79 HydrophobicContact CE2-CD1 4.18Å; F48-Y79 HydrophobicContact CE2-CE1 4.27Å; A76-Y79 WeakPolarHBondContact O-CB 3.37Å; A76-Y79 PolarHBondContact O-N 3Å; L77-Y79 VanDerWaalsContact C-N 3.28Å; L77-Y79 PolarHBondContact O-N 2.74Å; Y79-V83 HydrophobicContact CD2-CB 3.85Å; Y79-V83 HydrophobicContact CD2-CG1 4.16Å; Y79-V83 HydrophobicContact CD2-CG2 3.72Å; Y79-V83 HydrophobicContact CE2-CB 3.98Å; Y79-V83 HydrophobicContact CE2-CG1 3.78Å; Y79-V83 HydrophobicContact CE2-CG2 4.19Å; Y79-V83 HydrophobicContact CG-CB 4.37Å; Y79-V83 HydrophobicContact CG-CG2 4.39Å; Y79-V83 WeakPolarHBondContact O-CA 3.43Å; Y79-V83 WeakPolarHBondContact O-CB 3.31Å; Y79-V83 PolarHBondContact O-N 2.82Å; Y79-I84 HydrophobicContact CD1-CG1 4.14Å; Y79-I84 HydrophobicContact CE1-CD1 3.73Å; Y79-I84 HydrophobicContact CE1-CG1 3.78Å; Y79-I84 PolarHBondContact O-N 2.84Å; Y79-I84 VanDerWaalsContact O-N 3.09Å
80M95Very high94.6Very high0 Ų023.8 Ų23.80%014%0.136CC..Iπ-helixtrans-61.7-46.6176.7-175.8-157.17600111.9M30 C33 F48 L57 V64 A76 L77 I84 G85 Y86M30-M80 HydrophobicContact CE-SD 4.36Å; M30-M80 HydrophobicContact SD-SD 3.52Å; C33-M80 HydrophobicContact CB-SD 4.3Å; F48-M80 HydrophobicContact CE1-CB 4.33Å; F48-M80 HydrophobicContact CE1-CG 3.75Å; F48-M80 HydrophobicContact CE1-SD 4.14Å; F48-M80 HydrophobicContact CE2-CB 4.3Å; F48-M80 HydrophobicContact CE2-CG 4.49Å; F48-M80 HydrophobicContact CZ-CB 3.77Å; F48-M80 HydrophobicContact CZ-CG 3.72Å; F48-M80 HydrophobicContact CZ-SD 4.36Å; L57-M80 HydrophobicContact CD1-CG 3.8Å; V64-M80 HydrophobicContact CG1-CE 4.49Å; V64-M80 HydrophobicContact CG2-CE 3.93Å; A76-M80 PolarHBondContact O-N 2.86Å; L77-M80 HydrophobicContact CD1-CE 3.78Å; L77-M80 PolarHBondContact O-N 2.95Å; M80-I84 WeakPolarHBondContact O-CB 3.4Å; M80-G85 PolarHBondContact O-N 3.2Å; M80-Y86 HydrophobicContact CE-CD1 3.76Å; M80-Y86 HydrophobicContact CE-CE1 4.45Å; M80-Y86 HydrophobicContact CE-CG 4.19Å
81T95.4Very high94.9Very high2 Ų222.4 Ų22.41%0.01213%0.129CC..Iπ-helixtrans-72.9-41.1-175.364.80000113.6L77 G85 Y86 I90 C129 K132L77-T81 HydrophobicContact CD1-CG2 4.31Å; L77-T81 HydrophobicContact CG-CG2 4.43Å; L77-T81 WeakPolarHBondContact O-CG2 3.43Å; L77-T81 PolarHBondContact O-N 3.34Å; L77-T81 PolarHBondContact O-OG1 3Å; T81-G85 WeakPolarHBondContact O-CA 3.21Å; T81-Y86 WeakPolarHBondContact CB-O 3.36Å; T81-Y86 HydrophobicContact CG2-CD1 4.28Å; T81-Y86 PolarHBondContact O-N 3.13Å; T81-I90 HydrophobicContact CG2-CD1 3.68Å; T81-C129 WeakPolarHBondContact OG1-CB 3.45Å; T81-C129 PolarHBondContact OG1-SG 2.71Å; T81-K132 HydrophobicContact CG2-CD 4.46Å
82E94.3Very high95.3Very high36 Ų3620.8 Ų20.817%0.16812%0.121CC..Iπ-helixtrans-107.4-22.8-169.9-49.5-5112500114.6P78 M125 R128 K132P78-E82 WeakPolarHBondContact O-CB 3.4Å; P78-E82 PolarHBondContact O-N 3.12Å; E82-M125 HydrophobicContact CB-CB 4.04Å; E82-M125 HydrophobicContact CB-CE 3.63Å; E82-M125 HydrophobicContact CB-CG 3.86Å; E82-M125 HydrophobicContact CG-CB 3.76Å; E82-M125 HydrophobicContact CG-CG 4.05Å; E82-R128 IonicContact OE2-CZ 3.19Å; E82-R128 IonicContact OE2-NE 2.69Å; E82-R128 IonicContact OE2-NH1 3.64Å; E82-R128 PolarHBondContact OE2-NH1 3.28Å; E82-K132 WeakPolarHBondContact OE1-CE 3.43Å; E82-K132 IonicContact OE1-NZ 2.7Å; E82-K132 PolarHBondContact OE1-NZ 2.92Å; E82-K132 IonicContact OE2-NZ 3.31Å
83V90.9Very high95.5Very high76 Ų7619.3 Ų19.346%0.46111%0.113SC..Iπ-helixtrans-95.9-50.4176.8-173.10000110.9Y79 M125Y79-V83 HydrophobicContact CD2-CB 3.85Å; Y79-V83 HydrophobicContact CD2-CG1 4.16Å; Y79-V83 HydrophobicContact CD2-CG2 3.72Å; Y79-V83 HydrophobicContact CE2-CB 3.98Å; Y79-V83 HydrophobicContact CE2-CG1 3.78Å; Y79-V83 HydrophobicContact CE2-CG2 4.19Å; Y79-V83 HydrophobicContact CG-CB 4.37Å; Y79-V83 HydrophobicContact CG-CG2 4.39Å; Y79-V83 WeakPolarHBondContact O-CA 3.43Å; Y79-V83 WeakPolarHBondContact O-CB 3.31Å; Y79-V83 PolarHBondContact O-N 2.82Å; V83-M125 HydrophobicContact CG2-CE 3.22Å
84I91.3Very high95.5Very high60 Ų6021.9 Ų21.931%0.30813%0.125SC..Iπ-helixtrans-76.9-39.1178-53.1-59.4000110.8F48 T52 L57 Y79 M80F48-I84 HydrophobicContact CD2-CG1 4.09Å; F48-I84 HydrophobicContact CE2-CG1 4.5Å; T52-I84 HydrophobicContact CG2-CG2 3.94Å; L57-I84 HydrophobicContact CD1-CB 4.14Å; L57-I84 HydrophobicContact CD1-CG2 3.58Å; L57-I84 HydrophobicContact CG-CG2 4.05Å; Y79-I84 HydrophobicContact CD1-CG1 4.14Å; Y79-I84 HydrophobicContact CE1-CD1 3.73Å; Y79-I84 HydrophobicContact CE1-CG1 3.78Å; Y79-I84 PolarHBondContact O-N 2.84Å; Y79-I84 VanDerWaalsContact O-N 3.09Å; M80-I84 WeakPolarHBondContact O-CB 3.4Å
85G92Very high95.5Very high29 Ų2921.9 Ų21.930%0.29913%0.125SC..Iπ-helixtrans103.296.3175.800000112L57 M80 T81L57-G85 WeakPolarHBondContact CB-O 3.33Å; M80-G85 PolarHBondContact O-N 3.2Å; T81-G85 WeakPolarHBondContact O-CA 3.21Å
86Y95.3Very high95.6Very high0 Ų021.9 Ų21.90%013%0.125CC..  trans-145.5124.8169.7176.1-101000109.9L57 N58 L61 C63 V64 M80 T81 G88 P89 I90 K132L57-Y86 HydrophobicContact CB-CD2 3.96Å; L57-Y86 HydrophobicContact CB-CG 4.44Å; N58-Y86 WeakPolarHBondContact OD1-CA 3.37Å; N58-Y86 WeakPolarHBondContact OD1-CD2 3.4Å; L61-Y86 HydrophobicContact CB-CD2 4.47Å; L61-Y86 HydrophobicContact CB-CE2 3.79Å; L61-Y86 HydrophobicContact CD1-CD2 4.19Å; L61-Y86 HydrophobicContact CD1-CE2 4.12Å; C63-Y86 WeakPolarHBondContact CA-OH 3.12Å; V64-Y86 HydrophobicContact CB-CE1 4.25Å; V64-Y86 HydrophobicContact CG2-CD1 4.14Å; V64-Y86 HydrophobicContact CG2-CE1 3.49Å; V64-Y86 VanDerWaalsContact CG2-CE1 3.49Å; V64-Y86 HydrophobicContact CG2-CE2 4.46Å; M80-Y86 HydrophobicContact CE-CD1 3.76Å; M80-Y86 HydrophobicContact CE-CE1 4.45Å; M80-Y86 HydrophobicContact CE-CG 4.19Å; T81-Y86 WeakPolarHBondContact CB-O 3.36Å; T81-Y86 HydrophobicContact CG2-CD1 4.28Å; T81-Y86 PolarHBondContact O-N 3.13Å; Y86-G88 VanDerWaalsContact CE1-O 3.23Å; Y86-G88 WeakPolarHBondContact CE1-O 2.99Å; Y86-G88 VanDerWaalsContact CZ-C 3.45Å; Y86-G88 VanDerWaalsContact OH-C 3.26Å; Y86-G88 WeakPolarHBondContact OH-CA 3.46Å; Y86-P89 PolarHBondContact OH-O 3.42Å; Y86-I90 HydrophobicContact CE1-CG1 3.97Å; Y86-K132 PolarHBondContact O-NZ 3.31Å
87D95.3Very high95.6Very high105 Ų10525 Ų2556%0.56114%0.138SC*.  trans-119.71.9-178.2-57.3-62000112.5N58 K132N58-D87 PolarHBondContact ND2-OD2 2.69Å; N58-D87 PolarHBondContact OD1-N 3.31Å; D87-K132 WeakPolarHBondContact OD1-CE 3.42Å; D87-K132 IonicContact OD1-NZ 3.47Å; D87-K132 PolarHBondContact OD1-NZ 3.39Å
88G94.6Very high95.5Very high17 Ų1726.3 Ų26.318%0.17515%0.149CC..SBendtrans-67.7174.5174.100000113.4N58 Y86N58-G88 PolarHBondContact OD1-N 3.2Å; Y86-G88 VanDerWaalsContact CE1-O 3.23Å; Y86-G88 WeakPolarHBondContact CE1-O 2.99Å; Y86-G88 VanDerWaalsContact CZ-C 3.45Å; Y86-G88 VanDerWaalsContact OH-C 3.26Å; Y86-G88 WeakPolarHBondContact OH-CA 3.46Å
89P96Very high95.4Very high27 Ų2726.3 Ų26.318%0.17515%0.149CC..  trans-69.6139.6-175.429.6-34.5000111.9D62 C63 V64 Y86 Y91D62-P89 WeakPolarHBondContact O-CG 3.49Å; C63-P89 HydrophobicContact CB-CG 3.98Å; V64-P89 PolarHBondContact N-O 3.14Å; V64-P89 VanDerWaalsContact N-O 3.07Å; Y86-P89 PolarHBondContact OH-O 3.42Å; P89-Y91 HydrophobicContact CB-CE2 3.78Å; P89-Y91 HydrophobicContact CG-CE2 4.11Å
90I98.5Very high95.4Very high0 Ų024 Ų240%014%0.14CC..EExtended strand (participates in β ladder)trans-116.3128171.9-55.5168.3000108.3V64 I66 L77 T81 Y86 M92 K132 V133 R134V64-I90 HydrophobicContact CB-CG1 4.25Å; V64-I90 HydrophobicContact CB-CG2 4.49Å; V64-I90 HydrophobicContact CG1-CG2 4.42Å; V64-I90 CarbonylContact O-C 3.56Å; V64-I90 VanDerWaalsContact O-CA 3.31Å; V64-I90 WeakPolarHBondContact O-CA 3.06Å; I66-I90 HydrophobicContact CG1-CG2 4.07Å; L77-I90 HydrophobicContact CD1-CD1 4.15Å; L77-I90 HydrophobicContact CD2-CD1 4.4Å; L77-I90 HydrophobicContact CD2-CG2 4.3Å; L77-I90 HydrophobicContact CG-CD1 4.41Å; T81-I90 HydrophobicContact CG2-CD1 3.68Å; Y86-I90 HydrophobicContact CE1-CG1 3.97Å; I90-M92 HydrophobicContact CG2-CE 3.67Å; I90-K132 HydrophobicContact CD1-CB 3.97Å; I90-K132 HydrophobicContact CG1-CB 4.45Å; I90-K132 PolarHBondContact N-O 2.82Å; I90-V133 HydrophobicContact CB-CG2 4.17Å; I90-V133 HydrophobicContact CG2-CG2 4.16Å; I90-V133 CarbonylContact O-C 3.53Å; I90-V133 VanDerWaalsContact O-CA 3.32Å; I90-V133 WeakPolarHBondContact O-CA 3.32Å; I90-R134 PolarHBondContact O-N 2.57Å
91Y98.7Very high95.4Very high4 Ų425.7 Ų25.72%0.01615%0.151CC..EExtended strand (participates in β ladder)trans-109.4131178.9-65.6-86.6000111.1C63 V64 I65 I66 P89 R134 V136 V142 V144 I150C63-Y91 HydrophobicContact CB-CD2 3.91Å; C63-Y91 HydrophobicContact CB-CE2 3.77Å; V64-Y91 PolarHBondContact O-N 2.87Å; I65-Y91 CarbonylContact C-O 3.26Å; I65-Y91 WeakPolarHBondContact CA-O 3.37Å; I66-Y91 PolarHBondContact N-O 2.81Å; P89-Y91 HydrophobicContact CB-CE2 3.78Å; P89-Y91 HydrophobicContact CG-CE2 4.11Å; Y91-R134 WeakPolarHBondContact CA-O 3.47Å; Y91-R134 HydrophobicContact CD1-CB 3.83Å; Y91-R134 HydrophobicContact CE1-CB 3.75Å; Y91-R134 HydrophobicContact CE1-CG 4.43Å; Y91-R134 PolarHBondContact OH-NH1 2.9Å; Y91-V136 HydrophobicContact CD1-CG1 3.88Å; Y91-V142 HydrophobicContact CE1-CG1 3.83Å; Y91-V144 HydrophobicContact CE2-CG1 4.14Å; Y91-V144 HydrophobicContact CE2-CG2 3.82Å; Y91-I150 HydrophobicContact CD1-CD1 3.51Å; Y91-I150 HydrophobicContact CD2-CD1 3.72Å; Y91-I150 HydrophobicContact CE1-CD1 4Å; Y91-I150 HydrophobicContact CE2-CD1 4.2Å; Y91-I150 HydrophobicContact CG-CD1 3.34Å
92M98.4Very high95.1Very high0 Ų027 Ų270%016%0.158CC..EExtended strand (participates in β ladder)trans-156.6170.2171.771.7-170.664.500109.9I66 L77 I90 T96 K97 V133 R134 C135 V136I66-M92 HydrophobicContact CB-CB 3.95Å; I66-M92 HydrophobicContact CB-CE 4.13Å; I66-M92 HydrophobicContact CG1-CE 3.83Å; L77-M92 HydrophobicContact CD2-CE 4.05Å; I90-M92 HydrophobicContact CG2-CE 3.67Å; M92-T96 HydrophobicContact CB-CG2 4.01Å; M92-T96 HydrophobicContact CG-CG2 4.15Å; M92-T96 HydrophobicContact SD-CG2 3.83Å; M92-K97 HydrophobicContact CG-CB 4.03Å; M92-K97 VanDerWaalsContact SD-CA 3.56Å; M92-K97 HydrophobicContact SD-CB 3.89Å; M92-V133 HydrophobicContact CE-CB 4.23Å; M92-V133 HydrophobicContact CE-CG1 3.67Å; M92-V133 HydrophobicContact CE-CG2 3.46Å; M92-V133 VanDerWaalsContact CE-CG2 3.46Å; M92-V133 HydrophobicContact CG-CG1 3.46Å; M92-V133 VanDerWaalsContact CG-CG1 3.46Å; M92-V133 HydrophobicContact SD-CG1 3.72Å; M92-V133 HydrophobicContact SD-CG2 4.25Å; M92-R134 PolarHBondContact N-O 3.06Å; M92-C135 CarbonylContact O-C 3.55Å; M92-C135 VanDerWaalsContact O-CA 3.25Å; M92-C135 WeakPolarHBondContact O-CA 3.42Å; M92-V136 PolarHBondContact O-N 3.25Å
93T98.3Very high94.8Very high0 Ų026.6 Ų26.60%016%0.157CC..EExtended strand (participates in β ladder)trans-75.7159.6178.564.70000112.4T96 K97 V136 I138 G160 A162 W285T93-T96 PolarHBondContact O-N 2.71Å; T93-T96 WeakPolarHBondContact OG1-CB 3.41Å; T93-T96 PolarHBondContact OG1-N 2.97Å; T93-T96 PolarHBondContact OG1-OG1 3.21Å; T93-K97 PolarHBondContact O-N 3.38Å; T93-V136 WeakPolarHBondContact CA-O 3.2Å; T93-V136 HydrophobicContact CG2-CG2 4.22Å; T93-I138 HydrophobicContact CG2-CD1 4.43Å; T93-G160 WeakPolarHBondContact CB-O 3.38Å; T93-G160 VanDerWaalsContact CG2-O 3.22Å; T93-G160 WeakPolarHBondContact CG2-O 3.37Å; T93-G160 PolarHBondContact OG1-O 2.81Å; T93-A162 HydrophobicContact CG2-CB 3.61Å; T93-W285 HydrophobicContact CG2-CH2 3.79Å; T93-W285 HydrophobicContact CG2-CZ3 3.73Å
94H97.1Very high94.9Very high54 Ų5423 Ų2325%0.2514%0.135CC..Hα-helixtrans-54.4-47.1177.3-78.9-89000114T96 K97 A98 C135 Y137 F282 W285H94-T96 PolarHBondContact O-N 2.94Å; H94-K97 PolarHBondContact O-N 3.32Å; H94-A98 PolarHBondContact O-N 3.24Å; H94-C135 WeakPolarHBondContact CE1-CB 3.05Å; H94-C135 VanDerWaalsContact NE2-CB 3.26Å; H94-C135 WeakPolarHBondContact NE2-CB 3.5Å; H94-Y137 AromaticContact CD2-CD1 3.98Å; H94-Y137 AromaticContact CD2-CE1 3.64Å; H94-Y137 AromaticContact CD2-CZ 3.66Å; H94-Y137 AromaticContact NE2-CE1 3.79Å; H94-Y137 AromaticContact NE2-CE2 3.44Å; H94-Y137 WeakPolarHBondContact NE2-CE2 3.35Å; H94-Y137 AromaticContact NE2-CZ 3.27Å; H94-Y137 VanDerWaalsContact NE2-CZ 3.27Å; H94-Y137 PolarHBondContact NE2-OH 3.04Å; H94-F282 HydrophobicContact CB-CE1 4.08Å; H94-W285 HydrophobicContact CB-CZ2 4.34Å
95P96.4Very high94.8Very high0 Ų022 Ų220%013%0.129CC..Hα-helixtrans-66.1-37.6177.6-17.830.6000112.5K97 A98 I99 L159 F282 W285P95-K97 PolarHBondContact O-N 2.97Å; P95-A98 PolarHBondContact O-N 2.9Å; P95-I99 WeakPolarHBondContact O-CB 3.45Å; P95-I99 WeakPolarHBondContact O-CG1 3.4Å; P95-I99 PolarHBondContact O-N 2.96Å; P95-L159 HydrophobicContact CB-CG 4.09Å; P95-F282 HydrophobicContact CB-CB 4.37Å; P95-F282 HydrophobicContact CB-CD1 4.31Å; P95-F282 HydrophobicContact CB-CD2 3.92Å; P95-F282 HydrophobicContact CB-CE2 4.25Å; P95-F282 HydrophobicContact CB-CG 3.94Å; P95-F282 HydrophobicContact CG-CB 4.09Å; P95-F282 HydrophobicContact CG-CD1 3.83Å; P95-F282 HydrophobicContact CG-CD2 4.31Å; P95-F282 HydrophobicContact CG-CE1 4.32Å; P95-F282 HydrophobicContact CG-CG 3.82Å; P95-W285 HydrophobicContact CG-CB 4.31Å; P95-W285 HydrophobicContact CG-CD2 3.53Å; P95-W285 HydrophobicContact CG-CE3 3.92Å; P95-W285 HydrophobicContact CG-CG 3.68Å; P95-W285 HydrophobicContact CG-CZ2 4.37Å; P95-W285 HydrophobicContact CG-CZ3 4.42Å
96T96.8Very high94.4Very high0 Ų023.7 Ų23.70%013%0.131CC..Hα-helixtrans-60.3-46.7176.2-62.80000111I66 F69 M92 T93 H94 A98 I99 C100I66-T96 HydrophobicContact CG2-CG2 4.2Å; F69-T96 HydrophobicContact CB-CG2 4.11Å; M92-T96 HydrophobicContact CB-CG2 4.01Å; M92-T96 HydrophobicContact CG-CG2 4.15Å; M92-T96 HydrophobicContact SD-CG2 3.83Å; T93-T96 PolarHBondContact O-N 2.71Å; T93-T96 WeakPolarHBondContact OG1-CB 3.41Å; T93-T96 PolarHBondContact OG1-N 2.97Å; T93-T96 PolarHBondContact OG1-OG1 3.21Å; H94-T96 PolarHBondContact O-N 2.94Å; T96-A98 VanDerWaalsContact C-N 3.29Å; T96-A98 PolarHBondContact O-N 3.01Å; T96-I99 PolarHBondContact O-N 3.41Å; T96-C100 WeakPolarHBondContact O-CB 3.32Å; T96-C100 PolarHBondContact O-N 3.2Å
97K97Very high93.9Very high65 Ų6524.7 Ų24.728%0.28314%0.135SC..Hα-helixtrans-59.7-37.1176.9-175.4178.4-176.8167.20113M92 T93 H94 P95 P101 M130 V133 C135M92-K97 HydrophobicContact CG-CB 4.03Å; M92-K97 VanDerWaalsContact SD-CA 3.56Å; M92-K97 HydrophobicContact SD-CB 3.89Å; T93-K97 PolarHBondContact O-N 3.38Å; H94-K97 PolarHBondContact O-N 3.32Å; P95-K97 PolarHBondContact O-N 2.97Å; K97-P101 WeakPolarHBondContact O-CD 3.39Å; K97-M130 WeakPolarHBondContact CE-O 3.45Å; K97-V133 HydrophobicContact CB-CG1 4.28Å; K97-V133 HydrophobicContact CD-CB 4.03Å; K97-V133 HydrophobicContact CD-CG1 3.73Å; K97-V133 HydrophobicContact CG-CB 4.37Å; K97-V133 HydrophobicContact CG-CG1 4Å; K97-V133 PolarHBondContact NZ-O 3.08Å; K97-C135 WeakPolarHBondContact CD-SG 3.26Å
98A95.2Very high93.5Very high28 Ų2821.3 Ų21.323%0.23112%0.115CC..Hα-helixtrans-73.3-35.9-179.300000112.8H94 P95 T96 Y278 F282H94-A98 PolarHBondContact O-N 3.24Å; P95-A98 PolarHBondContact O-N 2.9Å; T96-A98 VanDerWaalsContact C-N 3.29Å; T96-A98 PolarHBondContact O-N 3.01Å; A98-Y278 HydrophobicContact CB-CD1 4.27Å; A98-Y278 HydrophobicContact CB-CE1 3.96Å; A98-F282 HydrophobicContact CB-CE2 3.55Å; A98-F282 HydrophobicContact CB-CZ 3.67Å
99I93.5Very high93Very high0 Ų024.8 Ų24.80%013%0.125CC..Hα-helixtrans-88.9-38.9-173.8-71168.7000112.4F69 P95 T96 P101 I102 L103 L159 L242 Y278F69-I99 HydrophobicContact CB-CB 4.27Å; F69-I99 HydrophobicContact CB-CG2 3.84Å; F69-I99 HydrophobicContact CD1-CB 3.87Å; F69-I99 HydrophobicContact CD1-CD1 3.81Å; F69-I99 HydrophobicContact CD1-CG1 4.45Å; F69-I99 HydrophobicContact CD1-CG2 3.62Å; F69-I99 HydrophobicContact CD2-CG2 3.71Å; F69-I99 HydrophobicContact CE1-CB 4.36Å; F69-I99 HydrophobicContact CE1-CD1 3.49Å; F69-I99 VanDerWaalsContact CE1-CD1 3.49Å; F69-I99 HydrophobicContact CE1-CG2 4Å; F69-I99 HydrophobicContact CE2-CG2 4.12Å; F69-I99 HydrophobicContact CG-CB 4.08Å; F69-I99 HydrophobicContact CG-CG2 3.44Å; F69-I99 VanDerWaalsContact CG-CG2 3.44Å; F69-I99 HydrophobicContact CZ-CD1 4.2Å; F69-I99 HydrophobicContact CZ-CG2 4.24Å; P95-I99 WeakPolarHBondContact O-CB 3.45Å; P95-I99 WeakPolarHBondContact O-CG1 3.4Å; P95-I99 PolarHBondContact O-N 2.96Å; T96-I99 PolarHBondContact O-N 3.41Å; I99-P101 VanDerWaalsContact C-CD 3.5Å; I99-I102 VanDerWaalsContact O-CB 3.31Å; I99-I102 WeakPolarHBondContact O-CB 3.43Å; I99-I102 PolarHBondContact O-N 3.1Å; I99-L103 HydrophobicContact CG2-CD1 3.79Å; I99-L103 HydrophobicContact CG2-CG 4.12Å; I99-L103 PolarHBondContact O-N 3.09Å; I99-L159 HydrophobicContact CD1-CD2 4.28Å; I99-L242 HydrophobicContact CB-CD1 4.45Å; I99-L242 HydrophobicContact CD1-CD1 4.28Å; I99-L242 HydrophobicContact CD1-CD2 4.08Å; I99-L242 HydrophobicContact CG1-CD1 4.3Å; I99-L242 HydrophobicContact CG2-CD1 3.37Å; I99-Y278 HydrophobicContact CG1-CD1 4.31Å; I99-Y278 HydrophobicContact CG1-CD2 4.35Å; I99-Y278 HydrophobicContact CG1-CG 4.07Å
100C94.2Very high92.2Very high0 Ų024.8 Ų24.80%012%0.123CC..Hα-helixtrans-45.4-52.8-178.2-175.90000114C74 T96 I102 L103 L104 M130C74-C100 PolarHBondContact SG-SG 3.01Å; T96-C100 WeakPolarHBondContact O-CB 3.32Å; T96-C100 PolarHBondContact O-N 3.2Å; C100-I102 PolarHBondContact O-N 3.44Å; C100-I102 VanDerWaalsContact O-N 3.13Å; C100-L103 PolarHBondContact O-N 2.9Å; C100-L104 WeakPolarHBondContact O-CG 3.18Å; C100-L104 PolarHBondContact O-N 3.45Å; C100-L104 WeakPolarHBondContact SG-CD1 3.24Å; C100-M130 HydrophobicContact CB-SD 4.21Å
101P93.5Very high91.3Very high37 Ų3725 Ų2524%0.2412%0.124CC..Hα-helixtrans-62.5-26.5-17823.6-33.9000113.3K97 I99 E105 I126 M130K97-P101 WeakPolarHBondContact O-CD 3.39Å; I99-P101 VanDerWaalsContact C-CD 3.5Å; P101-E105 WeakPolarHBondContact O-CB 3.37Å; P101-E105 PolarHBondContact O-N 3.28Å; P101-I126 HydrophobicContact CB-CG2 3.72Å; P101-M130 HydrophobicContact CB-CG 4.04Å; P101-M130 HydrophobicContact CG-CG 4.22Å; P101-M130 HydrophobicContact CG-SD 4.5Å
102I90Very high90.5Very high28 Ų2827.1 Ų27.114%0.14414%0.138CC..Hα-helixtrans-73.6-44.4-179.5-56.4172000110.5I99 C100 E105 D106 M271 Y278I99-I102 VanDerWaalsContact O-CB 3.31Å; I99-I102 WeakPolarHBondContact O-CB 3.43Å; I99-I102 PolarHBondContact O-N 3.1Å; C100-I102 PolarHBondContact O-N 3.44Å; C100-I102 VanDerWaalsContact O-N 3.13Å; I102-E105 PolarHBondContact O-N 3.13Å; I102-D106 WeakPolarHBondContact O-CB 3.49Å; I102-D106 PolarHBondContact O-N 2.86Å; I102-M271 HydrophobicContact CG2-CE 3.25Å; I102-M271 HydrophobicContact CG2-SD 3.41Å; I102-M271 WeakPolarHBondContact CG2-SD 3.39Å; I102-Y278 HydrophobicContact CD1-CD2 4.13Å; I102-Y278 HydrophobicContact CD1-CE1 4.37Å; I102-Y278 HydrophobicContact CD1-CE2 3.09Å; I102-Y278 WeakPolarHBondContact CD1-OH 3.38Å
103L88.8Confident89.6Confident28 Ų2833.3 Ų33.315%0.14717%0.167CC..Hα-helixtrans-68.8-40177.5-66.9176.8000111.3F69 L71 I99 C100 D106 Y107 L242F69-L103 HydrophobicContact CB-CD1 4.23Å; F69-L103 HydrophobicContact CD2-CD1 3.36Å; F69-L103 HydrophobicContact CE2-CD1 4.05Å; F69-L103 HydrophobicContact CG-CD1 4.11Å; F69-L103 WeakPolarHBondContact O-CD1 3.43Å; L71-L103 HydrophobicContact CD2-CB 4.31Å; I99-L103 HydrophobicContact CG2-CD1 3.79Å; I99-L103 HydrophobicContact CG2-CG 4.12Å; I99-L103 PolarHBondContact O-N 3.09Å; C100-L103 PolarHBondContact O-N 2.9Å; L103-D106 PolarHBondContact O-N 3.33Å; L103-Y107 WeakPolarHBondContact O-CB 3.45Å; L103-Y107 PolarHBondContact O-N 3.38Å; L103-L242 HydrophobicContact CD2-CD1 4.49Å
104L91.9Very high88.2Confident0 Ų041 Ų410%020%0.195CC..Hα-helixtrans-61.6-43.3173.7-70.1169.4000111.5L71 P78 C100 Y107 R108 F121 I126 M130L71-L104 HydrophobicContact CD2-CD2 4.15Å; P78-L104 HydrophobicContact CG-CD1 3.63Å; P78-L104 HydrophobicContact CG-CD2 4.08Å; P78-L104 HydrophobicContact CG-CG 4.41Å; C100-L104 WeakPolarHBondContact O-CG 3.18Å; C100-L104 PolarHBondContact O-N 3.45Å; C100-L104 WeakPolarHBondContact SG-CD1 3.24Å; L104-Y107 PolarHBondContact O-N 2.91Å; L104-R108 VanDerWaalsContact O-CB 3.28Å; L104-R108 WeakPolarHBondContact O-CB 3.27Å; L104-R108 PolarHBondContact O-N 2.81Å; L104-F121 HydrophobicContact CB-CE2 4.2Å; L104-F121 HydrophobicContact CB-CZ 4.42Å; L104-F121 HydrophobicContact CD2-CE1 4.5Å; L104-F121 HydrophobicContact CD2-CE2 4.3Å; L104-F121 HydrophobicContact CD2-CZ 3.74Å; L104-I126 HydrophobicContact CB-CD1 3.82Å; L104-I126 HydrophobicContact CB-CG1 4.12Å; L104-I126 HydrophobicContact CB-CG2 4.19Å; L104-I126 HydrophobicContact CD1-CG2 4.07Å; L104-M130 HydrophobicContact CD1-CE 4.4Å
105E89.1Confident87Confident40 Ų4044.5 Ų44.519%0.18721%0.207CC..Hα-helixtrans-68.5-40.2179-177.859.3-153.300112P101 I102 R108 K109 S123 I126P101-E105 WeakPolarHBondContact O-CB 3.37Å; P101-E105 PolarHBondContact O-N 3.28Å; I102-E105 PolarHBondContact O-N 3.13Å; E105-R108 PolarHBondContact O-N 3.09Å; E105-R108 IonicContact OE1-CZ 2.83Å; E105-R108 IonicContact OE1-NE 3.25Å; E105-R108 PolarHBondContact OE1-NE 2.89Å; E105-R108 IonicContact OE1-NH2 3.97Å; E105-R108 PolarHBondContact OE1-NH2 3.34Å; E105-R108 IonicContact OE2-CZ 3.47Å; E105-R108 IonicContact OE2-NE 2.76Å; E105-R108 PolarHBondContact OE2-NE 3.34Å; E105-R108 IonicContact OE2-NH2 2.96Å; E105-K109 VanDerWaalsContact O-CG 3.32Å; E105-K109 WeakPolarHBondContact O-CG 3.3Å; E105-K109 PolarHBondContact O-N 2.95Å; E105-K109 WeakPolarHBondContact OE1-CE 3.44Å; E105-S123 VanDerWaalsContact CD-OG 3.28Å; E105-S123 PolarHBondContact OE1-OG 3.45Å; E105-S123 WeakPolarHBondContact OE2-CB 3.35Å; E105-S123 PolarHBondContact OE2-OG 3.48Å; E105-I126 HydrophobicContact CB-CD1 4.3Å
106D84.1Confident86Confident65 Ų6546.9 Ų46.935%0.34823%0.231SC..Hα-helixtrans-62.2-45.1174.2-17058.1000111.2I102 L103 R108 K109 I110 M271I102-D106 WeakPolarHBondContact O-CB 3.49Å; I102-D106 PolarHBondContact O-N 2.86Å; L103-D106 PolarHBondContact O-N 3.33Å; D106-R108 PolarHBondContact O-N 3.31Å; D106-K109 PolarHBondContact O-N 3.3Å; D106-I110 WeakPolarHBondContact O-CG1 3.32Å; D106-I110 PolarHBondContact O-N 3.47Å; D106-I110 VanDerWaalsContact O-N 3.08Å; D106-M271 HydrophobicContact CB-SD 4.12Å
107Y83.9Confident85Confident20 Ų2048.7 Ų48.78%0.07824%0.241CC..Hα-helixtrans-65-40.1176.9-172-114.4000112.6M35 M37 L71 L103 L104 I110 N111 F120M35-Y107 HydrophobicContact CE-CE1 3.71Å; M35-Y107 HydrophobicContact SD-CD1 4.38Å; M35-Y107 HydrophobicContact SD-CE1 3.73Å; M37-Y107 HydrophobicContact CE-CE1 4.42Å; M37-Y107 HydrophobicContact CE-CE2 4.28Å; M37-Y107 HydrophobicContact SD-CD2 4.36Å; M37-Y107 HydrophobicContact SD-CE2 3.69Å; L71-Y107 HydrophobicContact CD1-CD1 4.4Å; L71-Y107 HydrophobicContact CD1-CD2 3.69Å; L71-Y107 HydrophobicContact CD1-CE2 4.36Å; L71-Y107 HydrophobicContact CD1-CG 3.71Å; L103-Y107 WeakPolarHBondContact O-CB 3.45Å; L103-Y107 PolarHBondContact O-N 3.38Å; L104-Y107 PolarHBondContact O-N 2.91Å; Y107-I110 PolarHBondContact O-N 3.34Å; Y107-N111 WeakPolarHBondContact CD2-ND2 3.34Å; Y107-N111 VanDerWaalsContact CE1-ND2 3.35Å; Y107-N111 WeakPolarHBondContact CE1-ND2 3.34Å; Y107-N111 WeakPolarHBondContact CE2-ND2 3.4Å; Y107-N111 PolarHBondContact O-N 3.34Å; Y107-N111 PolarHBondContact O-ND2 3.31Å; Y107-F120 AromaticContact CD1-CE1 3.86Å; Y107-F120 HydrophobicContact CD1-CE1 3.86Å; Y107-F120 AromaticContact CD1-CZ 3.59Å; Y107-F120 HydrophobicContact CD1-CZ 3.59Å; Y107-F120 HydrophobicContact CE1-CE1 4.14Å; Y107-F120 HydrophobicContact CE1-CE2 4.2Å; Y107-F120 AromaticContact CE1-CZ 3.45Å; Y107-F120 HydrophobicContact CE1-CZ 3.45Å; Y107-F120 VanDerWaalsContact CE1-CZ 3.45Å
108R87.7Confident83.6Confident35 Ų3554.3 Ų54.313%0.13227%0.268CS..Hα-helixtrans-58.1-49.5173.3-174.1-162.271.971.92.5110.8L104 E105 D106 I110 N111 V112 F120 F121 S123L104-R108 VanDerWaalsContact O-CB 3.28Å; L104-R108 WeakPolarHBondContact O-CB 3.27Å; L104-R108 PolarHBondContact O-N 2.81Å; E105-R108 PolarHBondContact O-N 3.09Å; E105-R108 IonicContact OE1-CZ 2.83Å; E105-R108 IonicContact OE1-NE 3.25Å; E105-R108 PolarHBondContact OE1-NE 2.89Å; E105-R108 IonicContact OE1-NH2 3.97Å; E105-R108 PolarHBondContact OE1-NH2 3.34Å; E105-R108 IonicContact OE2-CZ 3.47Å; E105-R108 IonicContact OE2-NE 2.76Å; E105-R108 PolarHBondContact OE2-NE 3.34Å; E105-R108 IonicContact OE2-NH2 2.96Å; D106-R108 PolarHBondContact O-N 3.31Å; R108-I110 VanDerWaalsContact C-N 3.29Å; R108-I110 PolarHBondContact O-N 2.91Å; R108-N111 PolarHBondContact O-N 3.02Å; R108-V112 HydrophobicContact CG-CG2 3.89Å; R108-V112 WeakPolarHBondContact O-CB 3.47Å; R108-V112 WeakPolarHBondContact O-CG2 3.32Å; R108-V112 PolarHBondContact O-N 3.49Å; R108-F120 HydrophobicContact CB-CD1 4.26Å; R108-F120 HydrophobicContact CB-CE1 4.31Å; R108-F120 HydrophobicContact CG-CD1 4.07Å; R108-F121 HydrophobicContact CB-CE2 4.18Å; R108-F121 VanDerWaalsContact CD-O 3.22Å; R108-F121 WeakPolarHBondContact CD-O 3.37Å; R108-F121 VanDerWaalsContact CG-O 3.28Å; R108-F121 WeakPolarHBondContact CG-O 3.43Å; R108-S123 PolarHBondContact NE-OG 3.04Å; R108-S123 VanDerWaalsContact NE-OG 3.09Å
109K84.1Confident82.4Confident89 Ų8960 Ų6039%0.38729%0.294SS..Hα-helixtrans-57.7-42.3177.9-72.3179.6179.4-177.90111.8E105 D106 E113E105-K109 VanDerWaalsContact O-CG 3.32Å; E105-K109 WeakPolarHBondContact O-CG 3.3Å; E105-K109 PolarHBondContact O-N 2.95Å; E105-K109 WeakPolarHBondContact OE1-CE 3.44Å; D106-K109 PolarHBondContact O-N 3.3Å; K109-E113 WeakPolarHBondContact O-CA 3.48Å; K109-E113 WeakPolarHBondContact O-CB 3.34Å; K109-E113 WeakPolarHBondContact O-CG 3.24Å; K109-E113 PolarHBondContact O-N 2.89Å
110I78.5Confident81.9Confident27 Ų2760.7 Ų60.714%0.13830%0.297CS..Iπ-helixtrans-63.2-44.7178-66.7167000111.7D106 Y107 R108 R114D106-I110 WeakPolarHBondContact O-CG1 3.32Å; D106-I110 PolarHBondContact O-N 3.47Å; D106-I110 VanDerWaalsContact O-N 3.08Å; Y107-I110 PolarHBondContact O-N 3.34Å; R108-I110 VanDerWaalsContact C-N 3.29Å; R108-I110 PolarHBondContact O-N 2.91Å; I110-R114 VanDerWaalsContact O-CB 3.29Å; I110-R114 WeakPolarHBondContact O-CB 3.39Å; I110-R114 PolarHBondContact O-N 3.44Å
111N80Confident81.6Confident4 Ų460.8 Ų60.82%0.02130%0.298CS..Iπ-helixtrans-77.7-44.1-177.3-72.3-77.2000112.9Y107 R108 R115 G116 D117 F120Y107-N111 WeakPolarHBondContact CD2-ND2 3.34Å; Y107-N111 VanDerWaalsContact CE1-ND2 3.35Å; Y107-N111 WeakPolarHBondContact CE1-ND2 3.34Å; Y107-N111 WeakPolarHBondContact CE2-ND2 3.4Å; Y107-N111 PolarHBondContact O-N 3.34Å; Y107-N111 PolarHBondContact O-ND2 3.31Å; R108-N111 PolarHBondContact O-N 3.02Å; N111-R115 CarbonylContact O-C 3.53Å; N111-R115 WeakPolarHBondContact O-CA 3.28Å; N111-R115 VanDerWaalsContact O-CB 3.3Å; N111-R115 WeakPolarHBondContact O-CB 3.45Å; N111-R115 PolarHBondContact O-N 2.92Å; N111-R115 PolarHBondContact OD1-NH1 2.9Å; N111-G116 PolarHBondContact O-N 3Å; N111-G116 VanDerWaalsContact O-N 3.14Å; N111-D117 HydrophobicContact CB-CB 4.34Å; N111-D117 PolarHBondContact O-N 3.36Å; N111-D117 VanDerWaalsContact O-N 3.12Å; N111-F120 HydrophobicContact CB-CD1 4.5Å
112V83.1Confident81.6Confident50 Ų5062.1 Ų62.130%0.30331%0.306SS..Iπ-helixtrans-73.7-51.4-178-179.60000110.8R108 G116 F120R108-V112 HydrophobicContact CG-CG2 3.89Å; R108-V112 WeakPolarHBondContact O-CB 3.47Å; R108-V112 WeakPolarHBondContact O-CG2 3.32Å; R108-V112 PolarHBondContact O-N 3.49Å; V112-G116 WeakPolarHBondContact O-CA 3.37Å; V112-G116 PolarHBondContact O-N 3.18Å; V112-F120 HydrophobicContact CG2-CB 3.94Å; V112-F120 HydrophobicContact CG2-CD1 4.43Å
113E78Confident81.8Confident130 Ų13063.2 Ų63.261%0.60732%0.316SS*.Iπ-helixtrans-81.4-31.6-170.4-54.9174.9-178.200112.9K109K109-E113 WeakPolarHBondContact O-CA 3.48Å; K109-E113 WeakPolarHBondContact O-CB 3.34Å; K109-E113 WeakPolarHBondContact O-CG 3.24Å; K109-E113 PolarHBondContact O-N 2.89Å
114R70.3Confident82.1Confident161 Ų16166 Ų6661%0.60833%0.33SS*.Iπ-helixtrans-101.7-31.3-176.6-54.5-175.7173.9174.4-0.1114.2I110I110-R114 VanDerWaalsContact O-CB 3.29Å; I110-R114 WeakPolarHBondContact O-CB 3.39Å; I110-R114 PolarHBondContact O-N 3.44Å
115R71.9Confident82.3Confident128 Ų12867 Ų6748%0.48334%0.336SS..Hα-helixtrans-104-13.3-179.1-61.2176.5168.9-175.9-12.3113.2N40 N111 D117N40-R115 PolarHBondContact OD1-NH1 3.12Å; N111-R115 CarbonylContact O-C 3.53Å; N111-R115 WeakPolarHBondContact O-CA 3.28Å; N111-R115 VanDerWaalsContact O-CB 3.3Å; N111-R115 WeakPolarHBondContact O-CB 3.45Å; N111-R115 PolarHBondContact O-N 2.92Å; N111-R115 PolarHBondContact OD1-NH1 2.9Å; R115-D117 VanDerWaalsContact C-N 3.31Å
116G74.6Confident82.7Confident50 Ų5065.3 Ų65.352%0.51533%0.328SS..  trans7124.9-179.300000113.5N111 V112 Q118N111-G116 PolarHBondContact O-N 3Å; N111-G116 VanDerWaalsContact O-N 3.14Å; V112-G116 WeakPolarHBondContact O-CA 3.37Å; V112-G116 PolarHBondContact O-N 3.18Å; G116-Q118 PolarHBondContact O-N 3.42Å
117D75.1Confident83.3Confident38 Ų3870 Ų7020%0.20334%0.342CS..  trans-70.8101.1175-169.9-6.1000109.2K44 N111 R115 N119K44-D117 IonicContact NZ-OD2 3.22Å; K44-D117 PolarHBondContact NZ-OD2 2.94Å; N111-D117 HydrophobicContact CB-CB 4.34Å; N111-D117 PolarHBondContact O-N 3.36Å; N111-D117 VanDerWaalsContact O-N 3.12Å; R115-D117 VanDerWaalsContact C-N 3.31Å; D117-N119 VanDerWaalsContact C-N 3.35Å; D117-N119 PolarHBondContact OD1-N 3.36Å
118Q69Low83.9Confident182 Ų18273.9 Ų73.985%0.8536%0.356SS*.THydrogen-bonded Turntrans-79.3-19.3-178.8-63.4-168.2600112.8G116 F120G116-Q118 PolarHBondContact O-N 3.42Å; Q118-F120 VanDerWaalsContact C-N 3.25Å; Q118-F120 PolarHBondContact O-N 3.16Å
119N69.9Low84.3Confident148 Ų14872.2 Ų72.279%0.79135%0.35SS*.THydrogen-bonded Turntrans-9426.2-175-68.9-15.8000112.3D117D117-N119 VanDerWaalsContact C-N 3.35Å; D117-N119 PolarHBondContact OD1-N 3.36Å
120F81.6Confident85Confident14 Ų1468.9 Ų68.96%0.06134%0.336CS..SBendtrans-98.1156.9-178.4-148.8-113.1000111.7M35 F45 Y107 R108 N111 V112 Q118M35-F120 HydrophobicContact CE-CE2 3.62Å; M35-F120 HydrophobicContact CE-CZ 3.89Å; M35-F120 HydrophobicContact SD-CE2 4.16Å; M35-F120 HydrophobicContact SD-CZ 3.91Å; F45-F120 HydrophobicContact CZ-CE2 4.16Å; Y107-F120 AromaticContact CD1-CE1 3.86Å; Y107-F120 HydrophobicContact CD1-CE1 3.86Å; Y107-F120 AromaticContact CD1-CZ 3.59Å; Y107-F120 HydrophobicContact CD1-CZ 3.59Å; Y107-F120 HydrophobicContact CE1-CE1 4.14Å; Y107-F120 HydrophobicContact CE1-CE2 4.2Å; Y107-F120 AromaticContact CE1-CZ 3.45Å; Y107-F120 HydrophobicContact CE1-CZ 3.45Å; Y107-F120 VanDerWaalsContact CE1-CZ 3.45Å; R108-F120 HydrophobicContact CB-CD1 4.26Å; R108-F120 HydrophobicContact CB-CE1 4.31Å; R108-F120 HydrophobicContact CG-CD1 4.07Å; N111-F120 HydrophobicContact CB-CD1 4.5Å; V112-F120 HydrophobicContact CG2-CB 3.94Å; V112-F120 HydrophobicContact CG2-CD1 4.43Å; Q118-F120 VanDerWaalsContact C-N 3.25Å; Q118-F120 PolarHBondContact O-N 3.16Å
121F89Confident85.8Confident2 Ų271.8 Ų71.81%0.00936%0.355CS..PPolyproline II helixtrans-63.1146.5178.754.1-106.1000111.8M35 G75 P78 L104 R108 M125 I126M35-F121 HydrophobicContact SD-CE1 4.35Å; G75-F121 WeakPolarHBondContact O-CE1 3.5Å; P78-F121 HydrophobicContact CB-CB 4.01Å; P78-F121 HydrophobicContact CB-CD1 4.03Å; P78-F121 HydrophobicContact CB-CD2 4.1Å; P78-F121 HydrophobicContact CB-CG 3.79Å; P78-F121 HydrophobicContact CG-CD1 4.36Å; P78-F121 HydrophobicContact CG-CD2 4.26Å; P78-F121 HydrophobicContact CG-CE1 4.37Å; P78-F121 HydrophobicContact CG-CE2 4.29Å; P78-F121 HydrophobicContact CG-CG 4.3Å; P78-F121 HydrophobicContact CG-CZ 4.34Å; L104-F121 HydrophobicContact CB-CE2 4.2Å; L104-F121 HydrophobicContact CB-CZ 4.42Å; L104-F121 HydrophobicContact CD2-CE1 4.5Å; L104-F121 HydrophobicContact CD2-CE2 4.3Å; L104-F121 HydrophobicContact CD2-CZ 3.74Å; R108-F121 HydrophobicContact CB-CE2 4.18Å; R108-F121 VanDerWaalsContact CD-O 3.22Å; R108-F121 WeakPolarHBondContact CD-O 3.37Å; R108-F121 VanDerWaalsContact CG-O 3.28Å; R108-F121 WeakPolarHBondContact CG-O 3.43Å; F121-M125 HydrophobicContact CB-CB 4.17Å; F121-M125 HydrophobicContact CB-CE 3.64Å; F121-M125 HydrophobicContact CB-SD 3.98Å; F121-I126 HydrophobicContact CD2-CD1 3.87Å; F121-I126 HydrophobicContact CD2-CG1 3.61Å; F121-I126 HydrophobicContact CE2-CD1 3.7Å; F121-I126 HydrophobicContact CE2-CG1 3.74Å
122T92.9Very high86.6Confident66 Ų6673.2 Ų73.241%0.40536%0.361SS..PPolyproline II helixtrans-90.1166.1-17968.10000111.8D124 M125 I126T122-D124 PolarHBondContact O-N 3.18Å; T122-D124 PolarHBondContact OG1-N 3.39Å; T122-M125 HydrophobicContact CG2-SD 4.11Å; T122-M125 PolarHBondContact N-SD 3.46Å; T122-M125 WeakPolarHBondContact O-CB 3.42Å; T122-M125 PolarHBondContact O-N 2.95Å; T122-M125 VanDerWaalsContact O-N 3.11Å; T122-M125 WeakPolarHBondContact OG1-CG 3.23Å; T122-M125 PolarHBondContact OG1-N 2.74Å; T122-I126 WeakPolarHBondContact O-CG1 3.16Å; T122-I126 PolarHBondContact O-N 3.12Å; T122-I126 VanDerWaalsContact O-N 3.07Å
123S93.7Very high87.3Confident51 Ų5171.2 Ų71.236%0.35735%0.349SS..Hα-helixtrans-59.2-32.9172.6-55.40000112.6E105 R108 I126 Y127E105-S123 VanDerWaalsContact CD-OG 3.28Å; E105-S123 PolarHBondContact OE1-OG 3.45Å; E105-S123 WeakPolarHBondContact OE2-CB 3.35Å; E105-S123 PolarHBondContact OE2-OG 3.48Å; R108-S123 PolarHBondContact NE-OG 3.04Å; R108-S123 VanDerWaalsContact NE-OG 3.09Å; S123-I126 PolarHBondContact O-N 3.49Å; S123-Y127 PolarHBondContact O-N 3.23Å
124D95.7Very high88.3Confident85 Ų8571.7 Ų71.746%0.45535%0.345SS..Hα-helixtrans-64.7-41.9174.1175.874.6000111.6T122 I126 Y127 R128T122-D124 PolarHBondContact O-N 3.18Å; T122-D124 PolarHBondContact OG1-N 3.39Å; D124-I126 PolarHBondContact O-N 3.34Å; D124-Y127 WeakPolarHBondContact O-CB 3.33Å; D124-Y127 PolarHBondContact O-N 2.95Å; D124-R128 PolarHBondContact O-N 3.42Å; D124-R128 IonicContact OD2-CZ 2.75Å; D124-R128 VanDerWaalsContact OD2-CZ 3.25Å; D124-R128 IonicContact OD2-NE 3.65Å; D124-R128 PolarHBondContact OD2-NE 3.01Å; D124-R128 IonicContact OD2-NH2 3.17Å; D124-R128 PolarHBondContact OD2-NH2 3.28Å
125M96.5Very high89.6Confident22 Ų2265.7 Ų65.711%0.10833%0.328CS..Hα-helixtrans-64.2-39.8176-67.9162.971.600112E82 V83 F121 T122 Y127 R128 C129E82-M125 HydrophobicContact CB-CB 4.04Å; E82-M125 HydrophobicContact CB-CE 3.63Å; E82-M125 HydrophobicContact CB-CG 3.86Å; E82-M125 HydrophobicContact CG-CB 3.76Å; E82-M125 HydrophobicContact CG-CG 4.05Å; V83-M125 HydrophobicContact CG2-CE 3.22Å; F121-M125 HydrophobicContact CB-CB 4.17Å; F121-M125 HydrophobicContact CB-CE 3.64Å; F121-M125 HydrophobicContact CB-SD 3.98Å; T122-M125 HydrophobicContact CG2-SD 4.11Å; T122-M125 PolarHBondContact N-SD 3.46Å; T122-M125 WeakPolarHBondContact O-CB 3.42Å; T122-M125 PolarHBondContact O-N 2.95Å; T122-M125 VanDerWaalsContact O-N 3.11Å; T122-M125 WeakPolarHBondContact OG1-CG 3.23Å; T122-M125 PolarHBondContact OG1-N 2.74Å; M125-Y127 VanDerWaalsContact C-N 3.34Å; M125-R128 PolarHBondContact O-N 3.12Å; M125-C129 WeakPolarHBondContact O-CB 3.5Å; M125-C129 PolarHBondContact O-N 2.72Å
126I96.8Very high90.8Very high5 Ų559.7 Ų59.73%0.02631%0.305CS..Hα-helixtrans-60.3-46.5173.5-61.5168.3000110P78 P101 L104 E105 F121 T122 S123 D124 C129 M130P78-I126 HydrophobicContact CB-CG1 4.46Å; P78-I126 HydrophobicContact CG-CG1 4.14Å; P101-I126 HydrophobicContact CB-CG2 3.72Å; L104-I126 HydrophobicContact CB-CD1 3.82Å; L104-I126 HydrophobicContact CB-CG1 4.12Å; L104-I126 HydrophobicContact CB-CG2 4.19Å; L104-I126 HydrophobicContact CD1-CG2 4.07Å; E105-I126 HydrophobicContact CB-CD1 4.3Å; F121-I126 HydrophobicContact CD2-CD1 3.87Å; F121-I126 HydrophobicContact CD2-CG1 3.61Å; F121-I126 HydrophobicContact CE2-CD1 3.7Å; F121-I126 HydrophobicContact CE2-CG1 3.74Å; T122-I126 WeakPolarHBondContact O-CG1 3.16Å; T122-I126 PolarHBondContact O-N 3.12Å; T122-I126 VanDerWaalsContact O-N 3.07Å; S123-I126 PolarHBondContact O-N 3.49Å; D124-I126 PolarHBondContact O-N 3.34Å; I126-C129 WeakPolarHBondContact O-CB 2.85Å; I126-C129 PolarHBondContact O-N 3.23Å; I126-M130 WeakPolarHBondContact O-CG 3.32Å; I126-M130 PolarHBondContact O-N 2.99Å
127Y96.8Very high91.8Very high164 Ų16463.5 Ų63.564%0.64331%0.305SS*.Hα-helixtrans-60.3-52.2178.9177.7-97.7000111.4S123 D124 M125 C129 M130 T131S123-Y127 PolarHBondContact O-N 3.23Å; D124-Y127 WeakPolarHBondContact O-CB 3.33Å; D124-Y127 PolarHBondContact O-N 2.95Å; M125-Y127 VanDerWaalsContact C-N 3.34Å; Y127-C129 PolarHBondContact O-N 3.43Å; Y127-M130 PolarHBondContact O-N 3.33Å; Y127-M130 VanDerWaalsContact O-N 3.11Å; Y127-T131 HydrophobicContact CD1-CG2 4.35Å; Y127-T131 HydrophobicContact CE1-CG2 4Å; Y127-T131 WeakPolarHBondContact O-CG2 3.37Å; Y127-T131 PolarHBondContact O-N 3.47Å; Y127-T131 VanDerWaalsContact O-N 3.15Å
128R96.7Very high92.8Very high101 Ų10163.4 Ų63.438%0.38130%0.304SS..Hα-helixtrans-57.3-45.8177.5-76.9-170.2-79.2145.5-15.4112.3E82 D124 M125 M130 T131E82-R128 IonicContact OE2-CZ 3.19Å; E82-R128 IonicContact OE2-NE 2.69Å; E82-R128 IonicContact OE2-NH1 3.64Å; E82-R128 PolarHBondContact OE2-NH1 3.28Å; D124-R128 PolarHBondContact O-N 3.42Å; D124-R128 IonicContact OD2-CZ 2.75Å; D124-R128 VanDerWaalsContact OD2-CZ 3.25Å; D124-R128 IonicContact OD2-NE 3.65Å; D124-R128 PolarHBondContact OD2-NE 3.01Å; D124-R128 IonicContact OD2-NH2 3.17Å; D124-R128 PolarHBondContact OD2-NH2 3.28Å; M125-R128 PolarHBondContact O-N 3.12Å; R128-M130 VanDerWaalsContact C-N 3.32Å; R128-M130 PolarHBondContact O-N 2.69Å; R128-T131 WeakPolarHBondContact O-CB 3.39Å; R128-T131 PolarHBondContact O-N 2.7Å; R128-T131 PolarHBondContact O-OG1 3.17Å
129C96.9Very high94Very high0 Ų059 Ų590%028%0.284CS..Hα-helixtrans-53.6-46.9174.3-178.80000111.9L77 P78 T81 M125 I126 Y127 T131 K132L77-C129 VanDerWaalsContact CG-SG 3.57Å; P78-C129 HydrophobicContact CB-CB 4.3Å; P78-C129 HydrophobicContact CG-CB 4.45Å; T81-C129 WeakPolarHBondContact OG1-CB 3.45Å; T81-C129 PolarHBondContact OG1-SG 2.71Å; M125-C129 WeakPolarHBondContact O-CB 3.5Å; M125-C129 PolarHBondContact O-N 2.72Å; I126-C129 WeakPolarHBondContact O-CB 2.85Å; I126-C129 PolarHBondContact O-N 3.23Å; Y127-C129 PolarHBondContact O-N 3.43Å; C129-T131 VanDerWaalsContact C-N 3.28Å; C129-T131 PolarHBondContact O-N 2.98Å; C129-K132 WeakPolarHBondContact O-CB 3.29Å; C129-K132 PolarHBondContact O-N 2.81Å
130M97.2Very high95.2Very high18 Ų1855.7 Ų55.79%0.08926%0.263CS..Hα-helixtrans-67.5-22.8179-67.4-57.5103.600114.1L77 K97 C100 P101 L104 I126 Y127 R128 K132 V133L77-M130 HydrophobicContact CD2-CE 4.07Å; K97-M130 WeakPolarHBondContact CE-O 3.45Å; C100-M130 HydrophobicContact CB-SD 4.21Å; P101-M130 HydrophobicContact CB-CG 4.04Å; P101-M130 HydrophobicContact CG-CG 4.22Å; P101-M130 HydrophobicContact CG-SD 4.5Å; L104-M130 HydrophobicContact CD1-CE 4.4Å; I126-M130 WeakPolarHBondContact O-CG 3.32Å; I126-M130 PolarHBondContact O-N 2.99Å; Y127-M130 PolarHBondContact O-N 3.33Å; Y127-M130 VanDerWaalsContact O-N 3.11Å; R128-M130 VanDerWaalsContact C-N 3.32Å; R128-M130 PolarHBondContact O-N 2.69Å; M130-K132 VanDerWaalsContact C-N 3.29Å; M130-K132 PolarHBondContact O-N 3.24Å; M130-V133 HydrophobicContact CE-CG2 4.37Å; M130-V133 WeakPolarHBondContact O-CB 3.35Å; M130-V133 PolarHBondContact O-N 2.89Å; M130-V133 HydrophobicContact SD-CG2 4.34Å
131T96.6Very high95.9Very high89 Ų8958.2 Ų58.255%0.54628%0.28SS..Hα-helixtrans-69.1-26.3174.569.90000113Y127 R128 C129 V133Y127-T131 HydrophobicContact CD1-CG2 4.35Å; Y127-T131 HydrophobicContact CE1-CG2 4Å; Y127-T131 WeakPolarHBondContact O-CG2 3.37Å; Y127-T131 PolarHBondContact O-N 3.47Å; Y127-T131 VanDerWaalsContact O-N 3.15Å; R128-T131 WeakPolarHBondContact O-CB 3.39Å; R128-T131 PolarHBondContact O-N 2.7Å; R128-T131 PolarHBondContact O-OG1 3.17Å; C129-T131 VanDerWaalsContact C-N 3.28Å; C129-T131 PolarHBondContact O-N 2.98Å; T131-V133 PolarHBondContact O-N 3.48Å
132K96.4Very high96.3Very high34 Ų3459.3 Ų59.315%0.14829%0.287CS..THydrogen-bonded Turntrans-75.5-9.2177.8-60.8170.2176.9176.30113.2T81 E82 Y86 D87 I90 C129 M130T81-K132 HydrophobicContact CG2-CD 4.46Å; E82-K132 WeakPolarHBondContact OE1-CE 3.43Å; E82-K132 IonicContact OE1-NZ 2.7Å; E82-K132 PolarHBondContact OE1-NZ 2.92Å; E82-K132 IonicContact OE2-NZ 3.31Å; Y86-K132 PolarHBondContact O-NZ 3.31Å; D87-K132 WeakPolarHBondContact OD1-CE 3.42Å; D87-K132 IonicContact OD1-NZ 3.47Å; D87-K132 PolarHBondContact OD1-NZ 3.39Å; I90-K132 HydrophobicContact CD1-CB 3.97Å; I90-K132 HydrophobicContact CG1-CB 4.45Å; I90-K132 PolarHBondContact N-O 2.82Å; C129-K132 WeakPolarHBondContact O-CB 3.29Å; C129-K132 PolarHBondContact O-N 2.81Å; M130-K132 VanDerWaalsContact C-N 3.29Å; M130-K132 PolarHBondContact O-N 3.24Å
133V98.1Very high96.5Very high7 Ų762.9 Ų62.94%0.04230%0.296CS..EExtended strand (participates in β ladder)trans-84.2122.9-171.9179.90000112.7I90 M92 K97 M130 T131I90-V133 HydrophobicContact CB-CG2 4.17Å; I90-V133 HydrophobicContact CG2-CG2 4.16Å; I90-V133 CarbonylContact O-C 3.53Å; I90-V133 VanDerWaalsContact O-CA 3.32Å; I90-V133 WeakPolarHBondContact O-CA 3.32Å; M92-V133 HydrophobicContact CE-CB 4.23Å; M92-V133 HydrophobicContact CE-CG1 3.67Å; M92-V133 HydrophobicContact CE-CG2 3.46Å; M92-V133 VanDerWaalsContact CE-CG2 3.46Å; M92-V133 HydrophobicContact CG-CG1 3.46Å; M92-V133 VanDerWaalsContact CG-CG1 3.46Å; M92-V133 HydrophobicContact SD-CG1 3.72Å; M92-V133 HydrophobicContact SD-CG2 4.25Å; K97-V133 HydrophobicContact CB-CG1 4.28Å; K97-V133 HydrophobicContact CD-CB 4.03Å; K97-V133 HydrophobicContact CD-CG1 3.73Å; K97-V133 HydrophobicContact CG-CB 4.37Å; K97-V133 HydrophobicContact CG-CG1 4Å; K97-V133 PolarHBondContact NZ-O 3.08Å; M130-V133 HydrophobicContact CE-CG2 4.37Å; M130-V133 WeakPolarHBondContact O-CB 3.35Å; M130-V133 PolarHBondContact O-N 2.89Å; M130-V133 HydrophobicContact SD-CG2 4.34Å; T131-V133 PolarHBondContact O-N 3.48Å
134R98Very high96.6Very high140 Ų14061.6 Ų61.653%0.52829%0.287SS..EExtended strand (participates in β ladder)trans-95.6121.7166.8-63179.8179.6179-2.3109.6I90 Y91 M92I90-R134 PolarHBondContact O-N 2.57Å; Y91-R134 WeakPolarHBondContact CA-O 3.47Å; Y91-R134 HydrophobicContact CD1-CB 3.83Å; Y91-R134 HydrophobicContact CE1-CB 3.75Å; Y91-R134 HydrophobicContact CE1-CG 4.43Å; Y91-R134 PolarHBondContact OH-NH1 2.9Å; M92-R134 PolarHBondContact N-O 3.06Å
135C97.9Very high96.5Very high35 Ų3559.8 Ų59.824%0.23628%0.277CS..EExtended strand (participates in β ladder)trans-78.8147.2-179.8-67.70000112.2M92 H94 K97M92-C135 CarbonylContact O-C 3.55Å; M92-C135 VanDerWaalsContact O-CA 3.25Å; M92-C135 WeakPolarHBondContact O-CA 3.42Å; H94-C135 WeakPolarHBondContact CE1-CB 3.05Å; H94-C135 VanDerWaalsContact NE2-CB 3.26Å; H94-C135 WeakPolarHBondContact NE2-CB 3.5Å; K97-C135 WeakPolarHBondContact CD-SG 3.26Å
136V97.5Very high96.3Very high2 Ų266.7 Ų66.71%0.01231%0.314CS..EExtended strand (participates in β ladder)trans-121.6147.2170.6-55.30000111.4Y91 M92 T93 V142 I150 A152 F164Y91-V136 HydrophobicContact CD1-CG1 3.88Å; M92-V136 PolarHBondContact O-N 3.25Å; T93-V136 WeakPolarHBondContact CA-O 3.2Å; T93-V136 HydrophobicContact CG2-CG2 4.22Å; V136-V142 HydrophobicContact CG1-CG2 3.96Å; V136-I150 HydrophobicContact CG1-CD1 4.4Å; V136-A152 HydrophobicContact CG2-CB 3.83Å; V136-F164 HydrophobicContact CG2-CE1 3.75Å; V136-F164 HydrophobicContact CG2-CZ 3.79Å
137Y96.7Very high96.1Very high130 Ų13071.8 Ų71.851%0.5134%0.338SS..  trans-91.6155.6168.6-67.4-83.2000111.2H94 H139 Q140 W285H94-Y137 AromaticContact CD2-CD1 3.98Å; H94-Y137 AromaticContact CD2-CE1 3.64Å; H94-Y137 AromaticContact CD2-CZ 3.66Å; H94-Y137 AromaticContact NE2-CE1 3.79Å; H94-Y137 AromaticContact NE2-CE2 3.44Å; H94-Y137 WeakPolarHBondContact NE2-CE2 3.35Å; H94-Y137 AromaticContact NE2-CZ 3.27Å; H94-Y137 VanDerWaalsContact NE2-CZ 3.27Å; H94-Y137 PolarHBondContact NE2-OH 3.04Å; Y137-H139 PolarHBondContact O-N 2.86Å; Y137-Q140 VanDerWaalsContact O-CB 3.31Å; Y137-Q140 WeakPolarHBondContact O-CB 3.47Å; Y137-Q140 PolarHBondContact O-N 2.94Å; Y137-Q140 VanDerWaalsContact O-N 3.17Å; Y137-W285 HydrophobicContact CD1-CZ2 4.17Å
138I95.4Very high96.1Very high36 Ų3664 Ų6419%0.18531%0.307CS..THydrogen-bonded Turntrans-59.3135.9169.6-59.5-56.3000109.4T93 Q140 Y154 A162 W285T93-I138 HydrophobicContact CG2-CD1 4.43Å; I138-Q140 PolarHBondContact O-N 3.41Å; I138-Y154 HydrophobicContact CD1-CD2 4.5Å; I138-Y154 HydrophobicContact CG1-CD2 4.35Å; I138-A162 HydrophobicContact CD1-CB 4.08Å; I138-W285 HydrophobicContact CD1-CE3 4.22Å; I138-W285 HydrophobicContact CD1-CH2 4.04Å; I138-W285 HydrophobicContact CD1-CZ3 3.43Å; I138-W285 VanDerWaalsContact CD1-CZ3 3.43Å; I138-W285 HydrophobicContact CG1-CE3 3.79Å; I138-W285 HydrophobicContact CG1-CH2 3.72Å; I138-W285 HydrophobicContact CG1-CZ3 3.26Å
139H94.3Very high96.2Very high91 Ų9162 Ų6242%0.42130%0.302SS..THydrogen-bonded Turntrans68.5-3.2-175.4-50.3-42.4000116.1Y137 T141 Q151 A152 F153 W191Y137-H139 PolarHBondContact O-N 2.86Å; H139-T141 PolarHBondContact O-N 2.95Å; H139-Q151 PolarHBondContact O-NE2 3.24Å; H139-Q151 VanDerWaalsContact O-NE2 3.16Å; H139-A152 WeakPolarHBondContact CA-O 3.2Å; H139-A152 PolarHBondContact N-O 3.07Å; H139-F153 AromaticContact CE1-CD1 3.94Å; H139-F153 AromaticContact ND1-CD1 3.58Å; H139-F153 AromaticContact ND1-CE1 3.83Å; H139-W191 AromaticContact CE1-CE3 3.35Å; H139-W191 AromaticContact CE1-CZ3 3.19Å; H139-W191 WeakPolarHBondContact CE1-CZ3 3.43Å; H139-W191 AromaticContact ND1-CZ3 3.68Å; H139-W191 AromaticContact NE2-CZ3 3.96Å
140Q94.9Very high96.2Very high77 Ų7762 Ų6236%0.3630%0.302SS..  trans-70.8127.3173.7-173.9-176.211.400109.9Y137 I138 V142 Q151Y137-Q140 VanDerWaalsContact O-CB 3.31Å; Y137-Q140 WeakPolarHBondContact O-CB 3.47Å; Y137-Q140 PolarHBondContact O-N 2.94Å; Y137-Q140 VanDerWaalsContact O-N 3.17Å; I138-Q140 PolarHBondContact O-N 3.41Å; Q140-V142 HydrophobicContact CG-CG2 3.92Å; Q140-Q151 WeakPolarHBondContact O-CA 3.45Å
141T96.6Very high96.3Very high67 Ų6762.8 Ų62.841%0.41131%0.306SS..EExtended strand (participates in β ladder)trans-89.2126.4164.5-56.20000108.6H139 E149 I150 Q151H139-T141 PolarHBondContact O-N 2.95Å; T141-E149 HydrophobicContact CG2-CB 4.2Å; T141-I150 CarbonylContact C-O 3.51Å; T141-I150 WeakPolarHBondContact CA-O 3.42Å; T141-Q151 PolarHBondContact OG1-NE2 3.45Å
142V97.4Very high96.3Very high26 Ų2658.6 Ų58.616%0.15828%0.28CS..EExtended strand (participates in β ladder)trans-116.3125.1176.5177.90000108.3Y91 V136 Q140 E149 I150Y91-V142 HydrophobicContact CE1-CG1 3.83Å; V136-V142 HydrophobicContact CG1-CG2 3.96Å; Q140-V142 HydrophobicContact CG-CG2 3.92Å; V142-E149 WeakPolarHBondContact O-CA 3.08Å; V142-I150 HydrophobicContact CB-CD1 4.39Å; V142-I150 HydrophobicContact CB-CG1 3.85Å; V142-I150 PolarHBondContact N-O 3.33Å; V142-I150 PolarHBondContact O-N 2.9Å
143K96.7Very high96.4Very high140 Ų14057.1 Ų57.161%0.60927%0.274SS*.EExtended strand (participates in β ladder)trans-79.2115.7167.7-60.2-163.2173.6-155.10108.4E149K143-E149 WeakPolarHBondContact CE-OE1 3.24Å; K143-E149 HydrophobicContact CG-CG 4.2Å; K143-E149 IonicContact NZ-OE1 3.9Å
144V95.5Very high96.4Very high25 Ų2558.2 Ų58.215%0.15228%0.277CS..SBendtrans-74.7-42.5174.4-178.60000109C63 Y91 L148 I150C63-V144 HydrophobicContact CB-CG1 4.15Å; Y91-V144 HydrophobicContact CE2-CG1 4.14Å; Y91-V144 HydrophobicContact CE2-CG2 3.82Å; V144-L148 HydrophobicContact CB-CB 4.19Å; V144-L148 HydrophobicContact CB-CD2 3.82Å; V144-L148 HydrophobicContact CB-CG 3.84Å; V144-L148 HydrophobicContact CG1-CD2 3.93Å; V144-L148 HydrophobicContact CG2-CD2 4.06Å; V144-L148 HydrophobicContact CG2-CG 3.97Å; V144-L148 PolarHBondContact N-O 3.04Å; V144-I150 HydrophobicContact CG2-CD1 4.21Å; V144-I150 HydrophobicContact CG2-CG1 4.23Å; V144-I150 HydrophobicContact CG2-CG2 3.85Å
145D93.7Very high96.3Very high47 Ų4751.5 Ų51.525%0.25125%0.252SS..SBendtrans-147.3-164.5169.260.341.9000109.8K27 E147 L148K27-D145 WeakPolarHBondContact CE-OD2 3.44Å; K27-D145 IonicContact NZ-OD1 2.62Å; K27-D145 IonicContact NZ-OD2 3.08Å; K27-D145 PolarHBondContact NZ-OD2 3.25Å; D145-E147 PolarHBondContact O-N 3.07Å; D145-E147 PolarHBondContact OD1-N 3.17Å; D145-L148 WeakPolarHBondContact OD1-CB 3.31Å; D145-L148 PolarHBondContact OD1-N 2.96Å
146D91.9Very high96.2Very high166 Ų16649.9 Ų49.989%0.88824%0.241SC*.SBendtrans-66.6-21.6-177.3-66.6-32.9000113.9
147E93.4Very high96Very high113 Ų11350 Ų5053%0.52824%0.241SC..SBendtrans-111.6-33.2-175-61.1179.8170.200113K27 D145 V168K27-E147 WeakPolarHBondContact CE-OE2 3.44Å; D145-E147 PolarHBondContact O-N 3.07Å; D145-E147 PolarHBondContact OD1-N 3.17Å; E147-V168 HydrophobicContact CB-CG1 4.29Å; E147-V168 WeakPolarHBondContact O-CA 3.15Å
148L96.9Very high95.9Very high0 Ų044 Ų440%022%0.218CC..EExtended strand (participates in β ladder)trans-98.3117.2-172.5176.260000112K27 I29 D62 V144 D145 V166 R167 V168K27-L148 HydrophobicContact CB-CD2 4.49Å; K27-L148 HydrophobicContact CG-CB 4.35Å; I29-L148 HydrophobicContact CD1-CD1 4.03Å; I29-L148 HydrophobicContact CD1-CD2 4.43Å; I29-L148 HydrophobicContact CG1-CD1 4.15Å; I29-L148 HydrophobicContact CG1-CD2 4.08Å; D62-L148 HydrophobicContact CB-CD2 4.06Å; V144-L148 HydrophobicContact CB-CB 4.19Å; V144-L148 HydrophobicContact CB-CD2 3.82Å; V144-L148 HydrophobicContact CB-CG 3.84Å; V144-L148 HydrophobicContact CG1-CD2 3.93Å; V144-L148 HydrophobicContact CG2-CD2 4.06Å; V144-L148 HydrophobicContact CG2-CG 3.97Å; V144-L148 PolarHBondContact N-O 3.04Å; D145-L148 WeakPolarHBondContact OD1-CB 3.31Å; D145-L148 PolarHBondContact OD1-N 2.96Å; L148-V166 HydrophobicContact CD1-CG1 3.4Å; L148-V166 VanDerWaalsContact CD1-CG1 3.4Å; L148-R167 WeakPolarHBondContact CA-O 3.47Å; L148-V168 HydrophobicContact CB-CG2 4.25Å; L148-V168 HydrophobicContact CD1-CG2 3.54Å; L148-V168 HydrophobicContact CG-CG2 4.48Å
149E97.7Very high95.8Very high58 Ų5842.2 Ų42.227%0.27121%0.209SC..EExtended strand (participates in β ladder)trans-116.2140.1174-56.1-169.6159.500111.6T141 V142 K143 V166 R167T141-E149 HydrophobicContact CG2-CB 4.2Å; V142-E149 WeakPolarHBondContact O-CA 3.08Å; K143-E149 WeakPolarHBondContact CE-OE1 3.24Å; K143-E149 HydrophobicContact CG-CG 4.2Å; K143-E149 IonicContact NZ-OE1 3.9Å; E149-V166 CarbonylContact O-C 3.56Å; E149-V166 WeakPolarHBondContact O-CA 3.48Å; E149-R167 PolarHBondContact N-O 3.23Å; E149-R167 PolarHBondContact O-N 3.1Å
150I98Very high95.9Very high1 Ų137.9 Ų37.91%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-122.7138.8173.969.2175.3000110I65 Y91 V136 T141 V142 V144 L165 V166I65-I150 HydrophobicContact CD1-CB 4.42Å; I65-I150 HydrophobicContact CD1-CG2 3.8Å; Y91-I150 HydrophobicContact CD1-CD1 3.51Å; Y91-I150 HydrophobicContact CD2-CD1 3.72Å; Y91-I150 HydrophobicContact CE1-CD1 4Å; Y91-I150 HydrophobicContact CE2-CD1 4.2Å; Y91-I150 HydrophobicContact CG-CD1 3.34Å; V136-I150 HydrophobicContact CG1-CD1 4.4Å; T141-I150 CarbonylContact C-O 3.51Å; T141-I150 WeakPolarHBondContact CA-O 3.42Å; V142-I150 HydrophobicContact CB-CD1 4.39Å; V142-I150 HydrophobicContact CB-CG1 3.85Å; V142-I150 PolarHBondContact N-O 3.33Å; V142-I150 PolarHBondContact O-N 2.9Å; V144-I150 HydrophobicContact CG2-CD1 4.21Å; V144-I150 HydrophobicContact CG2-CG1 4.23Å; V144-I150 HydrophobicContact CG2-CG2 3.85Å; I150-L165 CarbonylContact C-O 3.49Å; I150-L165 WeakPolarHBondContact CA-O 3.23Å; I150-V166 HydrophobicContact CG2-CG1 4.38Å; I150-V166 HydrophobicContact CG2-CG2 3.99Å
151Q98.1Very high96Very high34 Ų3434.3 Ų34.316%0.15917%0.172CC..EExtended strand (participates in β ladder)trans-133.5125.1176.2-172.1177.128.500110.9H139 Q140 T141 F153 F164 L165H139-Q151 PolarHBondContact O-NE2 3.24Å; H139-Q151 VanDerWaalsContact O-NE2 3.16Å; Q140-Q151 WeakPolarHBondContact O-CA 3.45Å; T141-Q151 PolarHBondContact OG1-NE2 3.45Å; Q151-F153 HydrophobicContact CB-CE2 4.15Å; Q151-F153 VanDerWaalsContact CD-CZ 3.45Å; Q151-F153 HydrophobicContact CG-CD2 4.49Å; Q151-F153 HydrophobicContact CG-CE2 3.8Å; Q151-F153 HydrophobicContact CG-CZ 3.93Å; Q151-F153 VanDerWaalsContact OE1-CZ 3.26Å; Q151-F164 WeakPolarHBondContact O-CA 3.47Å; Q151-L165 HydrophobicContact CB-CB 4.45Å; Q151-L165 PolarHBondContact N-O 2.92Å; Q151-L165 PolarHBondContact O-N 2.75Å
152A98.1Very high96.1Very high1 Ų131.1 Ų31.11%0.00815%0.153CC..EExtended strand (participates in β ladder)trans-87.9141.1179.300000112V136 H139 A162 M163 F164V136-A152 HydrophobicContact CG2-CB 3.83Å; H139-A152 WeakPolarHBondContact CA-O 3.2Å; H139-A152 PolarHBondContact N-O 3.07Å; A152-A162 HydrophobicContact CB-CB 4.25Å; A152-M163 CarbonylContact C-O 3.48Å; A152-M163 WeakPolarHBondContact CA-O 3.46Å; A152-F164 HydrophobicContact CB-CD1 4.24Å; A152-F164 HydrophobicContact CB-CE1 3.87Å; A152-F164 HydrophobicContact CB-CZ 4.17Å
153F98Very high96.1Very high3 Ų329.9 Ų29.91%0.01315%0.146CC..EExtended strand (participates in β ladder)trans-130.3152.1177.5-72.5-78000110H139 Q151 A155 A162 M163 L165 W191 V192 S193H139-F153 AromaticContact CE1-CD1 3.94Å; H139-F153 AromaticContact ND1-CD1 3.58Å; H139-F153 AromaticContact ND1-CE1 3.83Å; Q151-F153 HydrophobicContact CB-CE2 4.15Å; Q151-F153 VanDerWaalsContact CD-CZ 3.45Å; Q151-F153 HydrophobicContact CG-CD2 4.49Å; Q151-F153 HydrophobicContact CG-CE2 3.8Å; Q151-F153 HydrophobicContact CG-CZ 3.93Å; Q151-F153 VanDerWaalsContact OE1-CZ 3.26Å; F153-A155 PolarHBondContact O-N 3.19Å; F153-A162 CarbonylContact O-C 3.55Å; F153-A162 WeakPolarHBondContact O-CA 3.35Å; F153-A162 WeakPolarHBondContact O-CB 3.41Å; F153-M163 HydrophobicContact CB-CB 4.29Å; F153-M163 HydrophobicContact CB-CE 4.26Å; F153-M163 PolarHBondContact N-O 2.8Å; F153-M163 PolarHBondContact O-N 2.74Å; F153-L165 HydrophobicContact CD2-CB 4.23Å; F153-L165 HydrophobicContact CE2-CB 3.77Å; F153-L165 HydrophobicContact CE2-CD2 4.12Å; F153-W191 WeakPolarHBondContact CB-O 3.45Å; F153-W191 HydrophobicContact CD1-CE3 4.02Å; F153-W191 AromaticContact CD1-CZ3 3.83Å; F153-W191 HydrophobicContact CD1-CZ3 3.83Å; F153-W191 HydrophobicContact CE1-CE3 4.5Å; F153-W191 AromaticContact CE1-CZ3 3.87Å; F153-W191 HydrophobicContact CE1-CZ3 3.87Å; F153-V192 HydrophobicContact CB-CB 4.3Å; F153-V192 HydrophobicContact CB-CG2 4.27Å; F153-V192 HydrophobicContact CD1-CB 4.31Å; F153-V192 HydrophobicContact CD1-CG2 4.02Å; F153-V192 HydrophobicContact CD2-CG2 3.73Å; F153-V192 HydrophobicContact CE1-CG2 4.29Å; F153-V192 HydrophobicContact CE2-CG2 3.99Å; F153-V192 HydrophobicContact CG-CB 4.17Å; F153-V192 HydrophobicContact CG-CG2 3.74Å; F153-V192 HydrophobicContact CZ-CG2 4.27Å; F153-S193 WeakPolarHBondContact CZ-OG 3.33Å
154Y97.1Very high96.2Very high30 Ų3023.3 Ų23.312%0.11812%0.117CC..EExtended strand (participates in β ladder)trans-73.3124-173.3-170.6-98.2000111.3I138 G156 M163 L187 G188 A189 A190 W191 W285I138-Y154 HydrophobicContact CD1-CD2 4.5Å; I138-Y154 HydrophobicContact CG1-CD2 4.35Å; Y154-G156 VanDerWaalsContact CE1-CA 3.43Å; Y154-M163 WeakPolarHBondContact O-CE 3.32Å; Y154-L187 WeakPolarHBondContact OH-CB 3.42Å; Y154-L187 WeakPolarHBondContact OH-CD2 3.48Å; Y154-G188 PolarHBondContact OH-N 2.83Å; Y154-G188 VanDerWaalsContact OH-N 3.07Å; Y154-A189 WeakPolarHBondContact CD1-O 3.45Å; Y154-A190 CarbonylContact O-C 3.57Å; Y154-A190 VanDerWaalsContact O-CA 3.23Å; Y154-A190 WeakPolarHBondContact O-CA 3.44Å; Y154-W191 PolarHBondContact N-O 3.46Å; Y154-W191 PolarHBondContact O-N 3.22Å; Y154-W285 WeakPolarHBondContact CE2-O 3.32Å; Y154-W285 PolarHBondContact OH-O 3.39Å
155A97.5Very high96.3Very high0 Ų022.2 Ų22.20%011%0.11CC..  trans-94.6-17.6-178.400000114.3F153 H157 A161 M163 Y179 N180 A190F153-A155 PolarHBondContact O-N 3.19Å; A155-H157 PolarHBondContact O-N 2.76Å; A155-A161 HydrophobicContact CB-CB 3.92Å; A155-A161 WeakPolarHBondContact CB-O 3.44Å; A155-A161 PolarHBondContact N-O 2.65Å; A155-M163 HydrophobicContact CB-CG 3.95Å; A155-Y179 CarbonylContact O-C 3.36Å; A155-Y179 VanDerWaalsContact O-CA 3.22Å; A155-Y179 WeakPolarHBondContact O-CA 3.37Å; A155-Y179 WeakPolarHBondContact O-CB 3.47Å; A155-N180 PolarHBondContact O-N 3.34Å; A155-A190 VanDerWaalsContact O-CB 3.28Å; A155-A190 WeakPolarHBondContact O-CB 3.48Å
156G94.2Very high96.6Very high0 Ų020 Ų200%010%0.099CC..  trans66.45.8176.100000116.7Y154 N180 G188Y154-G156 VanDerWaalsContact CE1-CA 3.43Å; G156-N180 WeakPolarHBondContact O-CB 3.36Å; G156-G188 WeakPolarHBondContact CA-O 3.45Å
157H94.2Very high96.8Very high5 Ų516.7 Ų16.72%0.0237%0.074CC..SBendtrans-80.7-60.1-178.2174.967.9000113.2H68 H70 A155 A161 D178 A390 H391H68-H157 AromaticContact CD2-CD2 3.74Å; H68-H157 AromaticContact NE2-CD2 3.67Å; H68-H157 AromaticContact NE2-NE2 3.69Å; H70-H157 AromaticContact CE1-CD2 3.95Å; H70-H157 AromaticContact CE1-NE2 3.11Å; H70-H157 PolarHBondContact CE1-NE2 2.88Å; H70-H157 AromaticContact ND1-CD2 3.96Å; H70-H157 AromaticContact ND1-NE2 3.18Å; H70-H157 PolarHBondContact ND1-NE2 2.83Å; H70-H157 VanDerWaalsContact ND1-NE2 3.18Å; A155-H157 PolarHBondContact O-N 2.76Å; H157-A161 HydrophobicContact CB-CB 4.06Å; H157-D178 HydrophobicContact CB-CB 4.44Å; H157-D178 VanDerWaalsContact CB-O 3.25Å; H157-D178 WeakPolarHBondContact CB-O 3.18Å; H157-D178 IonicContact NE2-OD2 3.94Å; H157-A390 PolarHBondContact ND1-O 2.96Å; H157-H391 AromaticContact CE1-CD2 3.76Å; H157-H391 AromaticContact CE1-CE1 3.75Å; H157-H391 AromaticContact CE1-NE2 3.55Å
158V94Very high96.9Very high3 Ų311.7 Ų11.72%0.0185%0.051CC..SBendtrans-132.6171.5171.9-660000110.6H68 F69 H70 G160 A161H68-V158 HydrophobicContact CB-CG2 3.88Å; F69-V158 HydrophobicContact CD1-CG2 4.18Å; F69-V158 HydrophobicContact CD2-CG2 4.46Å; F69-V158 HydrophobicContact CE1-CB 4.01Å; F69-V158 HydrophobicContact CE1-CG2 3.68Å; F69-V158 HydrophobicContact CE2-CB 4.19Å; F69-V158 HydrophobicContact CE2-CG1 4.4Å; F69-V158 HydrophobicContact CE2-CG2 3.97Å; F69-V158 HydrophobicContact CZ-CB 3.57Å; F69-V158 HydrophobicContact CZ-CG1 4.18Å; F69-V158 HydrophobicContact CZ-CG2 3.56Å; H70-V158 VanDerWaalsContact CE1-CG1 3.44Å; H70-V158 WeakPolarHBondContact CE1-CG1 3.34Å; V158-G160 PolarHBondContact O-N 2.9Å; V158-G160 VanDerWaalsContact O-N 3.12Å; V158-A161 HydrophobicContact CG2-CB 3.88Å; V158-A161 WeakPolarHBondContact O-CB 3.29Å; V158-A161 PolarHBondContact O-N 2.81Å
159L93.6Very high96.4Very high0 Ų015 Ų150%09%0.085CC..THydrogen-bonded Turntrans-57.9117.4179.4-174.966.1000110.6F69 P95 I99 A161 L187 Y279 F282 W285 T286F69-L159 HydrophobicContact CE1-CB 4.41Å; F69-L159 WeakPolarHBondContact CE1-O 3.31Å; P95-L159 HydrophobicContact CB-CG 4.09Å; I99-L159 HydrophobicContact CD1-CD2 4.28Å; L159-A161 VanDerWaalsContact C-N 3.34Å; L159-L187 HydrophobicContact CD1-CD2 4.36Å; L159-Y279 HydrophobicContact CB-CE1 3.88Å; L159-Y279 HydrophobicContact CD1-CD1 4.11Å; L159-Y279 HydrophobicContact CD1-CE1 4.01Å; L159-Y279 HydrophobicContact CD2-CD1 3.87Å; L159-Y279 HydrophobicContact CD2-CD2 4.34Å; L159-Y279 HydrophobicContact CD2-CE1 3.98Å; L159-Y279 HydrophobicContact CD2-CE2 4.44Å; L159-Y279 HydrophobicContact CD2-CG 4.05Å; L159-Y279 HydrophobicContact CG-CD1 4.42Å; L159-Y279 HydrophobicContact CG-CE1 4.19Å; L159-F282 HydrophobicContact CD1-CB 4.34Å; L159-F282 HydrophobicContact CD2-CB 4.12Å; L159-F282 HydrophobicContact CG-CB 4.42Å; L159-W285 HydrophobicContact CD1-CB 3.85Å; L159-T286 HydrophobicContact CD1-CG2 4.39Å
160G95.4Very high95.9Very high0 Ų014.5 Ų14.50%09%0.086CC..THydrogen-bonded Turntrans83.1-0.6-17800000115.8T93 V158 A162T93-G160 WeakPolarHBondContact CB-O 3.38Å; T93-G160 VanDerWaalsContact CG2-O 3.22Å; T93-G160 WeakPolarHBondContact CG2-O 3.37Å; T93-G160 PolarHBondContact OG1-O 2.81Å; V158-G160 PolarHBondContact O-N 2.9Å; V158-G160 VanDerWaalsContact O-N 3.12Å; G160-A162 PolarHBondContact O-N 2.79Å
161A97.4Very high95.7Very high1 Ų115 Ų151%0.0089%0.089CC..  trans-59.9133.3174.500000111.1S67 H68 A155 H157 V158 L159S67-A161 WeakPolarHBondContact O-CA 3.5Å; H68-A161 HydrophobicContact CB-CB 3.75Å; A155-A161 HydrophobicContact CB-CB 3.92Å; A155-A161 WeakPolarHBondContact CB-O 3.44Å; A155-A161 PolarHBondContact N-O 2.65Å; H157-A161 HydrophobicContact CB-CB 4.06Å; V158-A161 HydrophobicContact CG2-CB 3.88Å; V158-A161 WeakPolarHBondContact O-CB 3.29Å; V158-A161 PolarHBondContact O-N 2.81Å; L159-A161 VanDerWaalsContact C-N 3.34Å
162A98.2Very high95.6Very high1 Ų113.8 Ų13.81%0.0088%0.084CC..EExtended strand (participates in β ladder)trans-135.5142.2-177.600000113.5S67 T93 I138 A152 F153 G160 F164S67-A162 PolarHBondContact O-N 2.84Å; T93-A162 HydrophobicContact CG2-CB 3.61Å; I138-A162 HydrophobicContact CD1-CB 4.08Å; A152-A162 HydrophobicContact CB-CB 4.25Å; F153-A162 CarbonylContact O-C 3.55Å; F153-A162 WeakPolarHBondContact O-CA 3.35Å; F153-A162 WeakPolarHBondContact O-CB 3.41Å; G160-A162 PolarHBondContact O-N 2.79Å; A162-F164 HydrophobicContact CB-CD2 4.32Å; A162-F164 HydrophobicContact CB-CE2 3.78Å; A162-F164 HydrophobicContact CB-CZ 4.3Å
163M98.6Very high95.6Very high0 Ų013.8 Ų13.80%08%0.084CC..EExtended strand (participates in β ladder)trans-87.4143.3163.3-51.9-178.1-82.500108.3A152 F153 Y154 A155 L174 Y175 T176 A190 W191 V192 L400A152-M163 CarbonylContact C-O 3.48Å; A152-M163 WeakPolarHBondContact CA-O 3.46Å; F153-M163 HydrophobicContact CB-CB 4.29Å; F153-M163 HydrophobicContact CB-CE 4.26Å; F153-M163 PolarHBondContact N-O 2.8Å; F153-M163 PolarHBondContact O-N 2.74Å; Y154-M163 WeakPolarHBondContact O-CE 3.32Å; A155-M163 HydrophobicContact CB-CG 3.95Å; M163-L174 HydrophobicContact CB-CD1 4.14Å; M163-Y175 CarbonylContact C-O 3.55Å; M163-Y175 VanDerWaalsContact CA-O 3.28Å; M163-Y175 WeakPolarHBondContact CA-O 3.31Å; M163-T176 HydrophobicContact CG-CG2 4.45Å; M163-T176 WeakPolarHBondContact CG-O 3.36Å; M163-T176 HydrophobicContact SD-CG2 4.04Å; M163-A190 HydrophobicContact CE-CB 4.11Å; M163-W191 WeakPolarHBondContact CE-O 3.45Å; M163-V192 HydrophobicContact CE-CB 3.88Å; M163-V192 HydrophobicContact CE-CG1 4.35Å; M163-L400 HydrophobicContact SD-CD2 4.11Å
164F98.6Very high95.7Very high1 Ų113.6 Ų13.60%0.0048%0.083CC..EExtended strand (participates in β ladder)trans-119.3120.4-177.7-77.6-95000111.2F31 I65 V136 Q151 A152 A162 L174 Y175F31-F164 HydrophobicContact CE1-CB 4.3Å; I65-F164 HydrophobicContact CG2-CB 4.01Å; I65-F164 HydrophobicContact CG2-CD1 3.54Å; I65-F164 HydrophobicContact CG2-CD2 3.41Å; I65-F164 VanDerWaalsContact CG2-CD2 3.41Å; I65-F164 HydrophobicContact CG2-CE1 3.7Å; I65-F164 HydrophobicContact CG2-CE2 3.6Å; I65-F164 HydrophobicContact CG2-CG 3.37Å; I65-F164 HydrophobicContact CG2-CZ 3.74Å; V136-F164 HydrophobicContact CG2-CE1 3.75Å; V136-F164 HydrophobicContact CG2-CZ 3.79Å; Q151-F164 WeakPolarHBondContact O-CA 3.47Å; A152-F164 HydrophobicContact CB-CD1 4.24Å; A152-F164 HydrophobicContact CB-CE1 3.87Å; A152-F164 HydrophobicContact CB-CZ 4.17Å; A162-F164 HydrophobicContact CB-CD2 4.32Å; A162-F164 HydrophobicContact CB-CE2 3.78Å; A162-F164 HydrophobicContact CB-CZ 4.3Å; F164-L174 WeakPolarHBondContact O-CA 3.44Å; F164-Y175 PolarHBondContact N-O 3.15Å; F164-Y175 PolarHBondContact O-N 3.05Å
165L98.6Very high95.7Very high3 Ų312.3 Ų12.32%0.0168%0.078CC..EExtended strand (participates in β ladder)trans-90.1118.6167.2-179.464.3000108.4I150 Q151 F153 R167 V173 L174 C195 P197I150-L165 CarbonylContact C-O 3.49Å; I150-L165 WeakPolarHBondContact CA-O 3.23Å; Q151-L165 HydrophobicContact CB-CB 4.45Å; Q151-L165 PolarHBondContact N-O 2.92Å; Q151-L165 PolarHBondContact O-N 2.75Å; F153-L165 HydrophobicContact CD2-CB 4.23Å; F153-L165 HydrophobicContact CE2-CB 3.77Å; F153-L165 HydrophobicContact CE2-CD2 4.12Å; L165-R167 HydrophobicContact CG-CG 4.44Å; L165-V173 WeakPolarHBondContact CA-O 3.43Å; L165-L174 HydrophobicContact CB-CD1 4.19Å; L165-L174 HydrophobicContact CD1-CB 4.21Å; L165-C195 HydrophobicContact CD1-CB 4.39Å; L165-C195 HydrophobicContact CD2-CB 3.78Å; L165-P197 HydrophobicContact CD1-CB 4.39Å
166V98.2Very high95.8Very high1 Ų112.3 Ų12.31%0.0068%0.078CC..EExtended strand (participates in β ladder)trans-109.4135.5177.5-179.40000109.1L24 I29 F31 I65 L148 E149 I150 S172 V173L24-V166 HydrophobicContact CD2-CG1 4.27Å; I29-V166 HydrophobicContact CD1-CG1 4.18Å; I29-V166 HydrophobicContact CG1-CG1 4.23Å; F31-V166 HydrophobicContact CE1-CG2 3.64Å; F31-V166 HydrophobicContact CZ-CB 4.18Å; F31-V166 HydrophobicContact CZ-CG2 3.46Å; F31-V166 VanDerWaalsContact CZ-CG2 3.46Å; I65-V166 HydrophobicContact CD1-CG2 3.73Å; L148-V166 HydrophobicContact CD1-CG1 3.4Å; L148-V166 VanDerWaalsContact CD1-CG1 3.4Å; E149-V166 CarbonylContact O-C 3.56Å; E149-V166 WeakPolarHBondContact O-CA 3.48Å; I150-V166 HydrophobicContact CG2-CG1 4.38Å; I150-V166 HydrophobicContact CG2-CG2 3.99Å; V166-S172 CarbonylContact O-C 3.42Å; V166-S172 VanDerWaalsContact O-CA 3.27Å; V166-S172 WeakPolarHBondContact O-CA 3.37Å; V166-V173 PolarHBondContact N-O 2.63Å; V166-V173 PolarHBondContact O-N 3.42Å
167R96.9Very high96Very high95 Ų9512.4 Ų12.436%0.3588%0.079SC..EExtended strand (participates in β ladder)trans-131.1136-179.9-65.4-177.5173.6160.9-3.6110.7L148 E149 L165 N171L148-R167 WeakPolarHBondContact CA-O 3.47Å; E149-R167 PolarHBondContact N-O 3.23Å; E149-R167 PolarHBondContact O-N 3.1Å; L165-R167 HydrophobicContact CG-CG 4.44Å; R167-N171 WeakPolarHBondContact CA-O 3.35Å
168V94.9Very high96.1Very high8 Ų812.2 Ų12.25%0.0488%0.078CC..EExtended strand (participates in β ladder)trans-135110.6168.2-177.30000107.2L24 K27 E147 L148 T170 N171L24-V168 HydrophobicContact CB-CG2 4.4Å; L24-V168 HydrophobicContact CD2-CB 4.21Å; L24-V168 HydrophobicContact CD2-CG2 4Å; L24-V168 HydrophobicContact CG-CB 4.09Å; L24-V168 HydrophobicContact CG-CG2 4.14Å; K27-V168 HydrophobicContact CB-CG2 4.07Å; K27-V168 HydrophobicContact CG-CG1 4.07Å; K27-V168 HydrophobicContact CG-CG2 3.93Å; E147-V168 HydrophobicContact CB-CG1 4.29Å; E147-V168 WeakPolarHBondContact O-CA 3.15Å; L148-V168 HydrophobicContact CB-CG2 4.25Å; L148-V168 HydrophobicContact CD1-CG2 3.54Å; L148-V168 HydrophobicContact CG-CG2 4.48Å; V168-T170 PolarHBondContact O-N 2.91Å; V168-N171 PolarHBondContact N-O 2.82Å; V168-N171 PolarHBondContact O-N 2.83Å; V168-N171 VanDerWaalsContact O-N 3.1Å
169G87.4Confident96.2Very high69 Ų6912.1 Ų12.171%0.7118%0.077SC*.THydrogen-bonded Turntrans56-124.7-167.900000111.6
170T87.6Confident96.3Very high49 Ų4912.3 Ų12.330%0.3018%0.078SC..THydrogen-bonded Turntrans-84.5-14.217953.60000113.8V168 Q450 I452V168-T170 PolarHBondContact O-N 2.91Å; T170-Q450 HydrophobicContact CG2-CB 4.09Å; T170-I452 HydrophobicContact CG2-CD1 3.64Å; T170-I452 HydrophobicContact CG2-CG1 4.32Å
171N93.2Very high96.2Very high11 Ų1113.6 Ų13.66%0.0599%0.085CC..EExtended strand (participates in β ladder)trans-86.3141.5-173.7-6736.1000110.4L24 R167 V168 D198 T447L24-N171 HydrophobicContact CD1-CB 3.36Å; L24-N171 HydrophobicContact CG-CB 4.05Å; R167-N171 WeakPolarHBondContact CA-O 3.35Å; V168-N171 PolarHBondContact N-O 2.82Å; V168-N171 PolarHBondContact O-N 2.83Å; V168-N171 VanDerWaalsContact O-N 3.1Å; N171-D198 VanDerWaalsContact CA-OD2 3.29Å; N171-D198 WeakPolarHBondContact CA-OD2 3.26Å; N171-T447 WeakPolarHBondContact ND2-CB 3.35Å; N171-T447 WeakPolarHBondContact ND2-CG2 3.15Å; N171-T447 PolarHBondContact ND2-OG1 2.82Å
172S96.4Very high96Very high9 Ų916.2 Ų16.26%0.06310%0.101CC..EExtended strand (participates in β ladder)trans-143.7140.6-175.858.20000114.3V166 P197 D198 L199V166-S172 CarbonylContact O-C 3.42Å; V166-S172 VanDerWaalsContact O-CA 3.27Å; V166-S172 WeakPolarHBondContact O-CA 3.37Å; S172-P197 WeakPolarHBondContact OG-CA 3.25Å; S172-D198 PolarHBondContact N-OD2 2.84Å; S172-D198 PolarHBondContact O-N 2.89Å; S172-D198 PolarHBondContact OG-N 3.18Å; S172-D198 PolarHBondContact OG-OD2 3.47Å; S172-L199 PolarHBondContact O-N 2.88Å
173V98.4Very high95.7Very high0 Ų019.5 Ų19.50%012%0.122CC..EExtended strand (participates in β ladder)trans-127.9128.9177.6-179.20000109.2I4 V22 L24 F31 L165 V166 L199 I201I4-V173 HydrophobicContact CD1-CG2 3.81Å; I4-V173 HydrophobicContact CG2-CG2 4Å; V22-V173 HydrophobicContact CG1-CG2 4.05Å; L24-V173 HydrophobicContact CD1-CG2 4.02Å; L24-V173 HydrophobicContact CD2-CG2 4.08Å; F31-V173 HydrophobicContact CE2-CG1 4.46Å; L165-V173 WeakPolarHBondContact CA-O 3.43Å; V166-V173 PolarHBondContact N-O 2.63Å; V166-V173 PolarHBondContact O-N 3.42Å; V173-L199 CarbonylContact C-O 3.52Å; V173-L199 WeakPolarHBondContact CA-O 3.38Å; V173-L199 HydrophobicContact CG1-CB 4.43Å; V173-L199 HydrophobicContact CG1-CD2 4.25Å; V173-L199 HydrophobicContact CG1-CG 4.41Å; V173-L199 HydrophobicContact CG2-CB 4.18Å; V173-L199 HydrophobicContact CG2-CD2 4.45Å; V173-I201 HydrophobicContact CG1-CD1 3.82Å; V173-I201 HydrophobicContact CG1-CG1 4.09Å
174L98.7Very high95.3Very high0 Ų020 Ų200%013%0.125CC..EExtended strand (participates in β ladder)trans-105115.1170.2178.559000109M163 F164 L165 V192 P197 L199 L200 I201M163-L174 HydrophobicContact CB-CD1 4.14Å; F164-L174 WeakPolarHBondContact O-CA 3.44Å; L165-L174 HydrophobicContact CB-CD1 4.19Å; L165-L174 HydrophobicContact CD1-CB 4.21Å; L174-V192 HydrophobicContact CD1-CG2 4.31Å; L174-V192 HydrophobicContact CD2-CG1 4.34Å; L174-V192 HydrophobicContact CD2-CG2 3.91Å; L174-P197 HydrophobicContact CB-CB 4.15Å; L174-P197 HydrophobicContact CB-CG 3.98Å; L174-L199 PolarHBondContact N-O 3.16Å; L174-L200 HydrophobicContact CB-CD1 4.06Å; L174-L200 HydrophobicContact CD2-CD1 3.89Å; L174-L200 HydrophobicContact CG-CD1 3.88Å; L174-I201 PolarHBondContact O-N 2.86Å
175Y98.7Very high94.9Very high2 Ų223.1 Ų23.11%0.00814%0.136CC..EExtended strand (participates in β ladder)trans-101.8124.9173.1178.7-102.8000110I20 F31 D32 M163 F164 I201I20-Y175 HydrophobicContact CG1-CE2 4.07Å; F31-Y175 HydrophobicContact CB-CD1 3.76Å; F31-Y175 HydrophobicContact CB-CD2 3.88Å; F31-Y175 HydrophobicContact CB-CE1 3.83Å; F31-Y175 HydrophobicContact CB-CE2 3.97Å; F31-Y175 HydrophobicContact CB-CG 3.78Å; F31-Y175 VanDerWaalsContact CD1-CB 3.49Å; F31-Y175 AromaticContact CD1-CD1 3.61Å; F31-Y175 HydrophobicContact CD1-CD1 3.61Å; F31-Y175 HydrophobicContact CD1-CD2 4.39Å; F31-Y175 HydrophobicContact CD1-CE1 4.46Å; F31-Y175 AromaticContact CD1-CG 3.57Å; F31-Y175 HydrophobicContact CD1-CG 3.57Å; F31-Y175 HydrophobicContact CD2-CD2 4.44Å; F31-Y175 HydrophobicContact CD2-CG 4.33Å; F31-Y175 HydrophobicContact CE1-CD1 4.44Å; F31-Y175 HydrophobicContact CE1-CG 4.16Å; F31-Y175 AromaticContact CG-CD1 3.9Å; F31-Y175 HydrophobicContact CG-CD1 3.9Å; F31-Y175 HydrophobicContact CG-CD2 4.01Å; F31-Y175 HydrophobicContact CG-CE1 4.47Å; F31-Y175 AromaticContact CG-CG 3.64Å; F31-Y175 HydrophobicContact CG-CG 3.64Å; D32-Y175 VanDerWaalsContact OD2-CE1 3.24Å; D32-Y175 WeakPolarHBondContact OD2-CE1 3.13Å; D32-Y175 PolarHBondContact OD2-OH 3.21Å; M163-Y175 CarbonylContact C-O 3.55Å; M163-Y175 VanDerWaalsContact CA-O 3.28Å; M163-Y175 WeakPolarHBondContact CA-O 3.31Å; F164-Y175 PolarHBondContact N-O 3.15Å; F164-Y175 PolarHBondContact O-N 3.05Å; Y175-I201 HydrophobicContact CD2-CB 3.92Å; Y175-I201 HydrophobicContact CD2-CG2 3.73Å; Y175-I201 HydrophobicContact CE2-CG2 4.01Å
176T98.5Very high94.6Very high1 Ų123 Ų231%0.00614%0.136CC..  trans-87.6-26.8-173.364.90000114.7M163 Y179 L200 I201 T202 E203 L400M163-T176 HydrophobicContact CG-CG2 4.45Å; M163-T176 WeakPolarHBondContact CG-O 3.36Å; M163-T176 HydrophobicContact SD-CG2 4.04Å; T176-Y179 HydrophobicContact CG2-CD1 4.25Å; T176-Y179 HydrophobicContact CG2-CE1 4.16Å; T176-L200 HydrophobicContact CG2-CD1 3.79Å; T176-I201 PolarHBondContact N-O 2.77Å; T176-I201 PolarHBondContact OG1-O 3.48Å; T176-T202 WeakPolarHBondContact OG1-CA 3.34Å; T176-E203 PolarHBondContact OG1-N 3.09Å; T176-L400 HydrophobicContact CG2-CD2 3.74Å
177G97.9Very high94.4Very high2 Ų223 Ų232%0.02114%0.136CC..  trans53.6-147.2-15500000110.5
178D96.6Very high94.2Very high1 Ų119.2 Ų19.21%0.00513%0.126CC..SBendtrans-85.5138.5166.4-66.1-25.8000111H68 H73 H157 E203 H391 H413H68-D178 IonicContact CE1-OD2 2.75Å; H68-D178 IonicContact NE2-OD2 3.39Å; H73-D178 IonicContact CD2-OD2 3.72Å; H73-D178 IonicContact NE2-OD1 2.68Å; H73-D178 IonicContact NE2-OD2 3.7Å; H73-D178 PolarHBondContact NE2-OD2 3.08Å; H157-D178 HydrophobicContact CB-CB 4.44Å; H157-D178 VanDerWaalsContact CB-O 3.25Å; H157-D178 WeakPolarHBondContact CB-O 3.18Å; H157-D178 IonicContact NE2-OD2 3.94Å; D178-E203 WeakPolarHBondContact CA-OE1 3.33Å; D178-H391 IonicContact OD1-CE1 2.79Å; D178-H391 IonicContact OD1-ND1 3.96Å; D178-H391 IonicContact OD2-CE1 3.84Å; D178-H391 PolarHBondContact OD2-CE1 3.31Å; D178-H391 IonicContact OD2-ND1 3.04Å; D178-H413 IonicContact OD1-CE1 3.04Å; D178-H413 IonicContact OD1-ND1 3.96Å; D178-H413 PolarHBondContact OD1-ND1 2.74Å; D178-H413 IonicContact OD2-CE1 3.19Å; D178-H413 IonicContact OD2-ND1 3.56Å
179Y97.2Very high94.2Very high0 Ų020.5 Ų20.50%014%0.138CC..  trans-143.6164.8-175.769-78.3000111.7A155 T176 M181 A190 T202 E203 H391 A392 I397 L400A155-Y179 CarbonylContact O-C 3.36Å; A155-Y179 VanDerWaalsContact O-CA 3.22Å; A155-Y179 WeakPolarHBondContact O-CA 3.37Å; A155-Y179 WeakPolarHBondContact O-CB 3.47Å; T176-Y179 HydrophobicContact CG2-CD1 4.25Å; T176-Y179 HydrophobicContact CG2-CE1 4.16Å; Y179-M181 HydrophobicContact CD2-CG 4.06Å; Y179-M181 HydrophobicContact CD2-SD 4.03Å; Y179-M181 HydrophobicContact CE2-CG 3.79Å; Y179-M181 HydrophobicContact CE2-SD 3.97Å; Y179-A190 HydrophobicContact CD2-CB 3.95Å; Y179-T202 WeakPolarHBondContact CE1-OG1 3.4Å; Y179-T202 PolarHBondContact OH-OG1 3.08Å; Y179-T202 VanDerWaalsContact OH-OG1 3.1Å; Y179-E203 HydrophobicContact CD1-CG 3.73Å; Y179-E203 HydrophobicContact CE1-CG 3.57Å; Y179-E203 PolarHBondContact N-OE1 3.06Å; Y179-E203 VanDerWaalsContact O-OE1 3.11Å; Y179-H391 CarbonylContact O-C 3.59Å; Y179-H391 WeakPolarHBondContact O-CA 3.38Å; Y179-A392 HydrophobicContact CD1-CB 4.32Å; Y179-A392 HydrophobicContact CD2-CB 3.92Å; Y179-A392 HydrophobicContact CE1-CB 3.92Å; Y179-A392 HydrophobicContact CE2-CB 3.48Å; Y179-A392 VanDerWaalsContact CE2-CB 3.48Å; Y179-A392 HydrophobicContact CG-CB 4.32Å; Y179-A392 VanDerWaalsContact CZ-CB 3.49Å; Y179-A392 PolarHBondContact O-N 3Å; Y179-I397 VanDerWaalsContact OH-CA 3.29Å; Y179-I397 WeakPolarHBondContact OH-CA 3.49Å; Y179-I397 WeakPolarHBondContact OH-CG1 3.25Å; Y179-L400 HydrophobicContact CD2-CD2 4.06Å; Y179-L400 HydrophobicContact CE1-CD2 4.18Å; Y179-L400 HydrophobicContact CE2-CB 4.05Å; Y179-L400 HydrophobicContact CE2-CD2 3.48Å; Y179-L400 VanDerWaalsContact CE2-CD2 3.48Å; Y179-L400 HydrophobicContact CE2-CG 4.32Å
180N94.8Very high94.7Very high4 Ų417.6 Ų17.62%0.02111%0.107CC..  trans-135.4114.9178.6-167-2.2000111.4A155 G156 T182 D184 A189 A190 A390A155-N180 PolarHBondContact O-N 3.34Å; G156-N180 WeakPolarHBondContact O-CB 3.36Å; N180-T182 VanDerWaalsContact C-N 3.27Å; N180-T182 PolarHBondContact ND2-O 3.48Å; N180-T182 PolarHBondContact O-N 3.35Å; N180-T182 PolarHBondContact OD1-N 3.37Å; N180-T182 PolarHBondContact OD1-O 3.19Å; N180-D184 PolarHBondContact ND2-OD2 3.07Å; N180-A189 CarbonylContact O-C 3.51Å; N180-A189 WeakPolarHBondContact O-CA 3.49Å; N180-A190 WeakPolarHBondContact O-CB 3.34Å; N180-A190 PolarHBondContact O-N 2.76Å; N180-A390 VanDerWaalsContact CB-O 3.29Å; N180-A390 WeakPolarHBondContact CB-O 3.39Å
181M94.3Very high95Very high27 Ų2721.8 Ų21.813%0.13312%0.118CC..SBendtrans-77.6-11.2176.4-63.2-62.2-71.300113.5Y179 A189 A190 G396 Q399 L400Y179-M181 HydrophobicContact CD2-CG 4.06Å; Y179-M181 HydrophobicContact CD2-SD 4.03Å; Y179-M181 HydrophobicContact CE2-CG 3.79Å; Y179-M181 HydrophobicContact CE2-SD 3.97Å; M181-A189 WeakPolarHBondContact O-CB 3.16Å; M181-A190 HydrophobicContact SD-CB 3.78Å; M181-G396 WeakPolarHBondContact CG-O 3.43Å; M181-Q399 HydrophobicContact CE-CB 4.2Å; M181-Q399 HydrophobicContact CE-CG 3.8Å; M181-L400 HydrophobicContact CE-CB 4.37Å; M181-L400 HydrophobicContact CE-CD1 4.46Å; M181-L400 HydrophobicContact SD-CB 4.17Å; M181-L400 HydrophobicContact SD-CD1 4.17Å
182T91.7Very high95.1Very high57 Ų5721.3 Ų21.335%0.3512%0.115SC..SBendtrans-103.5123.6177.6-600000110.1N180N180-T182 VanDerWaalsContact C-N 3.27Å; N180-T182 PolarHBondContact ND2-O 3.48Å; N180-T182 PolarHBondContact O-N 3.35Å; N180-T182 PolarHBondContact OD1-N 3.37Å; N180-T182 PolarHBondContact OD1-O 3.19Å
183P92.1Very high94.9Very high69 Ų6922.7 Ų22.745%0.44813%0.125SC..PPolyproline II helixtrans-67.3137.9-177.727.5-33.2000112.3A189 K214P183-A189 HydrophobicContact CB-CB 4.42Å; P183-K214 PolarHBondContact O-NZ 3.21Å
184D90.3Very high94.6Very high12 Ų1230.5 Ų30.56%0.06415%0.154CC..PPolyproline II helixtrans-86.9171171.8-76.4-33000111.2N180 H186 L187 K214 R244 N287N180-D184 PolarHBondContact ND2-OD2 3.07Å; D184-H186 PolarHBondContact O-N 3.1Å; D184-L187 CarbonylContact C-O 3.59Å; D184-L187 HydrophobicContact CB-CB 4.37Å; D184-L187 PolarHBondContact N-O 3.35Å; D184-K214 VanDerWaalsContact CA-NZ 3.34Å; D184-K214 IonicContact OD1-NZ 3.75Å; D184-R244 IonicContact OD1-CZ 3.54Å; D184-R244 IonicContact OD1-NH1 3.97Å; D184-R244 PolarHBondContact OD1-NH1 2.82Å; D184-R244 IonicContact OD1-NH2 3.58Å; D184-R244 PolarHBondContact OD1-NH2 2.92Å; D184-R244 IonicContact OD2-CZ 3.41Å; D184-R244 VanDerWaalsContact OD2-CZ 3.28Å; D184-R244 IonicContact OD2-NH1 3.03Å; D184-R244 PolarHBondContact OD2-NH1 3.34Å; D184-R244 IonicContact OD2-NH2 3.71Å; D184-R244 PolarHBondContact OD2-NH2 2.89Å; D184-N287 PolarHBondContact O-ND2 2.89Å; D184-N287 VanDerWaalsContact O-ND2 3.13Å
185R91Very high94.3Very high65 Ų6531.3 Ų31.325%0.24516%0.159CC..SBendtrans-66.1-29.9175-66170172.3-88-4.7110.9E218 E247 I250 N287 I290R185-E218 IonicContact CZ-OE1 3.72Å; R185-E218 IonicContact CZ-OE2 3.44Å; R185-E218 IonicContact NE-OE1 2.78Å; R185-E218 PolarHBondContact NE-OE1 3.3Å; R185-E218 IonicContact NE-OE2 3.8Å; R185-E218 VanDerWaalsContact NH2-CD 3.31Å; R185-E218 IonicContact NH2-OE1 3.95Å; R185-E218 PolarHBondContact NH2-OE1 3.33Å; R185-E218 IonicContact NH2-OE2 3.19Å; R185-E218 PolarHBondContact NH2-OE2 2.83Å; R185-E247 WeakPolarHBondContact CA-OE2 3.37Å; R185-E247 WeakPolarHBondContact CB-OE2 3.11Å; R185-E247 WeakPolarHBondContact CG-OE1 3.44Å; R185-E247 VanDerWaalsContact N-CD 3.31Å; R185-E247 PolarHBondContact N-OE1 2.82Å; R185-E247 VanDerWaalsContact N-OE1 3.12Å; R185-E247 PolarHBondContact N-OE2 2.82Å; R185-I250 HydrophobicContact CB-CG2 4.18Å; R185-N287 VanDerWaalsContact C-ND2 3.29Å; R185-N287 PolarHBondContact O-ND2 3.05Å; R185-I290 WeakPolarHBondContact O-CD1 3.41Å; R185-I290 WeakPolarHBondContact O-CG1 3.25Å
186H90.9Very high94.2Very high1 Ų138.7 Ų38.71%0.00519%0.187CC..SBendtrans-105-23.4179.267.4100.5000115.2D184 G243 E247 I250 Y279 T286 N287 I290 F300D184-H186 PolarHBondContact O-N 3.1Å; H186-G243 PolarHBondContact CE1-O 2.85Å; H186-G243 PolarHBondContact NE2-O 3.36Å; H186-E247 IonicContact CD2-OE2 3.78Å; H186-E247 PolarHBondContact CD2-OE2 3.27Å; H186-E247 VanDerWaalsContact CD2-OE2 3.27Å; H186-E247 IonicContact NE2-OE2 3.33Å; H186-I250 HydrophobicContact CB-CD1 3.99Å; H186-Y279 PolarHBondContact CE1-OH 2.81Å; H186-Y279 AromaticContact ND1-CE1 3.39Å; H186-Y279 WeakPolarHBondContact ND1-CE1 3.1Å; H186-Y279 AromaticContact ND1-CZ 3.78Å; H186-T286 WeakPolarHBondContact O-CA 3.47Å; H186-T286 WeakPolarHBondContact O-CB 3.32Å; H186-N287 PolarHBondContact O-N 2.76Å; H186-N287 VanDerWaalsContact O-N 3.1Å; H186-I290 HydrophobicContact CB-CG1 4.33Å; H186-F300 HydrophobicContact CB-CE1 4.31Å; H186-F300 HydrophobicContact CB-CZ 4.11Å
187L94.2Very high94.1Very high0 Ų038.6 Ų38.60%019%0.187CC..SBendtrans-116.9156.8178.6-62.8171.4000112.1Y154 L159 D184 N287Y154-L187 WeakPolarHBondContact OH-CB 3.42Å; Y154-L187 WeakPolarHBondContact OH-CD2 3.48Å; L159-L187 HydrophobicContact CD1-CD2 4.36Å; D184-L187 CarbonylContact C-O 3.59Å; D184-L187 HydrophobicContact CB-CB 4.37Å; D184-L187 PolarHBondContact N-O 3.35Å; L187-N287 PolarHBondContact O-ND2 3.38Å
188G93.9Very high94Very high16 Ų1638.9 Ų38.917%0.16519%0.188CC..  trans-78.4177.6171.500000111.8Y154 G156Y154-G188 PolarHBondContact OH-N 2.83Å; Y154-G188 VanDerWaalsContact OH-N 3.07Å; G156-G188 WeakPolarHBondContact CA-O 3.45Å
189A95Very high94.1Very high36 Ų3638.9 Ų38.930%0.29819%0.188SC..  trans-76.3154165.600000110.4Y154 N180 M181 P183 W191Y154-A189 WeakPolarHBondContact CD1-O 3.45Å; N180-A189 CarbonylContact O-C 3.51Å; N180-A189 WeakPolarHBondContact O-CA 3.49Å; M181-A189 WeakPolarHBondContact O-CB 3.16Å; P183-A189 HydrophobicContact CB-CB 4.42Å; A189-W191 PolarHBondContact O-N 3.37Å
190A97.1Very high94.2Very high8 Ų838.9 Ų38.97%0.06619%0.188CC..  trans-54.6137.3169.300000110.1Y154 A155 M163 Y179 N180 M181Y154-A190 CarbonylContact O-C 3.57Å; Y154-A190 VanDerWaalsContact O-CA 3.23Å; Y154-A190 WeakPolarHBondContact O-CA 3.44Å; A155-A190 VanDerWaalsContact O-CB 3.28Å; A155-A190 WeakPolarHBondContact O-CB 3.48Å; M163-A190 HydrophobicContact CE-CB 4.11Å; Y179-A190 HydrophobicContact CD2-CB 3.95Å; N180-A190 WeakPolarHBondContact O-CB 3.34Å; N180-A190 PolarHBondContact O-N 2.76Å; M181-A190 HydrophobicContact SD-CB 3.78Å
191W95.1Very high94.4Very high137 Ų13738.7 Ų38.752%0.51919%0.187SC..BIsolated β-bridgetrans-145133.7-179-175.994.4000110.3H139 F153 Y154 M163 A189H139-W191 AromaticContact CE1-CE3 3.35Å; H139-W191 AromaticContact CE1-CZ3 3.19Å; H139-W191 WeakPolarHBondContact CE1-CZ3 3.43Å; H139-W191 AromaticContact ND1-CZ3 3.68Å; H139-W191 AromaticContact NE2-CZ3 3.96Å; F153-W191 WeakPolarHBondContact CB-O 3.45Å; F153-W191 HydrophobicContact CD1-CE3 4.02Å; F153-W191 AromaticContact CD1-CZ3 3.83Å; F153-W191 HydrophobicContact CD1-CZ3 3.83Å; F153-W191 HydrophobicContact CE1-CE3 4.5Å; F153-W191 AromaticContact CE1-CZ3 3.87Å; F153-W191 HydrophobicContact CE1-CZ3 3.87Å; Y154-W191 PolarHBondContact N-O 3.46Å; Y154-W191 PolarHBondContact O-N 3.22Å; M163-W191 WeakPolarHBondContact CE-O 3.45Å; A189-W191 PolarHBondContact O-N 3.37Å
192V94.4Very high94.6Very high1 Ų137.4 Ų37.41%0.00618%0.18CC..  trans-138.7151.2174.562.70000109.2F153 M163 L174 L400 H403 C404F153-V192 HydrophobicContact CB-CB 4.3Å; F153-V192 HydrophobicContact CB-CG2 4.27Å; F153-V192 HydrophobicContact CD1-CB 4.31Å; F153-V192 HydrophobicContact CD1-CG2 4.02Å; F153-V192 HydrophobicContact CD2-CG2 3.73Å; F153-V192 HydrophobicContact CE1-CG2 4.29Å; F153-V192 HydrophobicContact CE2-CG2 3.99Å; F153-V192 HydrophobicContact CG-CB 4.17Å; F153-V192 HydrophobicContact CG-CG2 3.74Å; F153-V192 HydrophobicContact CZ-CG2 4.27Å; M163-V192 HydrophobicContact CE-CB 3.88Å; M163-V192 HydrophobicContact CE-CG1 4.35Å; L174-V192 HydrophobicContact CD1-CG2 4.31Å; L174-V192 HydrophobicContact CD2-CG1 4.34Å; L174-V192 HydrophobicContact CD2-CG2 3.91Å; V192-L400 HydrophobicContact CG1-CD1 3.76Å; V192-H403 PolarHBondContact O-NE2 2.88Å; V192-C404 WeakPolarHBondContact CG1-SG 3.36Å
193S92.3Very high94.8Very high37 Ų3734.8 Ų34.826%0.25916%0.164SC..  trans-64.3156.4170.865.60000110.8F153 C195F153-S193 WeakPolarHBondContact CZ-OG 3.33Å; S193-C195 PolarHBondContact O-N 2.86Å; S193-C195 PolarHBondContact O-SG 2.8Å
194R92.3Very high95Very high165 Ų16531.5 Ų31.562%0.62314%0.143SC*.  trans-71.185.5172.4-175.9176.3-67.61670.4108.9
195C92.2Very high95.1Very high16 Ų1631.4 Ų31.411%0.10814%0.143CC..  trans-97.4-11.8-167.652.90000115L165 S193L165-C195 HydrophobicContact CD1-CB 4.39Å; L165-C195 HydrophobicContact CD2-CB 3.78Å; S193-C195 PolarHBondContact O-N 2.86Å; S193-C195 PolarHBondContact O-SG 2.8Å
196R96Very high95Very high157 Ų15728.9 Ų28.959%0.59213%0.133SC*.  trans45.555.8179.3-64.6-175.7171.4172.5-2113.3C404 Q405R196-C404 WeakPolarHBondContact CA-O 3.21Å; R196-C404 PolarHBondContact N-O 3.49Å; R196-C404 VanDerWaalsContact N-O 3.08Å; R196-Q405 HydrophobicContact CG-CB 4.17Å
197P96.7Very high94.8Very high0 Ų028.8 Ų28.80%013%0.133CC..  trans-68152.2-174.131.4-34.4000110.8L165 S172 L174 L199 L200 P406 K407L165-P197 HydrophobicContact CD1-CB 4.39Å; S172-P197 WeakPolarHBondContact OG-CA 3.25Å; L174-P197 HydrophobicContact CB-CB 4.15Å; L174-P197 HydrophobicContact CB-CG 3.98Å; P197-L199 PolarHBondContact O-N 3.45Å; P197-L200 HydrophobicContact CG-CB 4.48Å; P197-P406 HydrophobicContact CG-CB 4.03Å; P197-P406 CarbonylContact O-C 3.43Å; P197-P406 VanDerWaalsContact O-CA 3.24Å; P197-P406 WeakPolarHBondContact O-CA 3.43Å; P197-K407 PolarHBondContact O-N 2.78Å
198D97Very high94.7Very high8 Ų831.8 Ų31.84%0.04315%0.151CC..SBendtrans-65.3-34.8172.9-60.2-72.2000110.7I4 N171 S172 K407 H408 T447I4-D198 HydrophobicContact CD1-CB 3.84Å; N171-D198 VanDerWaalsContact CA-OD2 3.29Å; N171-D198 WeakPolarHBondContact CA-OD2 3.26Å; S172-D198 PolarHBondContact N-OD2 2.84Å; S172-D198 PolarHBondContact O-N 2.89Å; S172-D198 PolarHBondContact OG-N 3.18Å; S172-D198 PolarHBondContact OG-OD2 3.47Å; D198-K407 WeakPolarHBondContact OD1-CD 3.42Å; D198-K407 WeakPolarHBondContact OD1-CE 3.44Å; D198-K407 IonicContact OD1-NZ 3.96Å; D198-K407 PolarHBondContact OD1-NZ 3.42Å; D198-H408 WeakPolarHBondContact O-CB 3.26Å; D198-H408 PolarHBondContact O-N 3.36Å; D198-T447 HydrophobicContact CB-CG2 3.89Å
199L98.1Very high94.3Very high0 Ų033.5 Ų33.50%016%0.159CC..EExtended strand (participates in β ladder)trans-134.1128.3175.6178.564.8000111.7I4 V6 S172 V173 L174 P197 I201 H408 M410 I445I4-L199 HydrophobicContact CD1-CB 4.23Å; I4-L199 HydrophobicContact CG2-CD2 4.3Å; V6-L199 HydrophobicContact CG2-CD2 3.61Å; S172-L199 PolarHBondContact O-N 2.88Å; V173-L199 CarbonylContact C-O 3.52Å; V173-L199 WeakPolarHBondContact CA-O 3.38Å; V173-L199 HydrophobicContact CG1-CB 4.43Å; V173-L199 HydrophobicContact CG1-CD2 4.25Å; V173-L199 HydrophobicContact CG1-CG 4.41Å; V173-L199 HydrophobicContact CG2-CB 4.18Å; V173-L199 HydrophobicContact CG2-CD2 4.45Å; L174-L199 PolarHBondContact N-O 3.16Å; P197-L199 PolarHBondContact O-N 3.45Å; L199-I201 HydrophobicContact CD2-CD1 3.9Å; L199-I201 HydrophobicContact CD2-CG1 3.75Å; L199-I201 HydrophobicContact CG-CG1 3.84Å; L199-H408 WeakPolarHBondContact CA-O 3.46Å; L199-H408 HydrophobicContact CD1-CB 4.08Å; L199-M410 HydrophobicContact CD1-CB 3.9Å; L199-I445 HydrophobicContact CD1-CG1 4.24Å; L199-I445 HydrophobicContact CD2-CG1 4.28Å
200L98.6Very high94Very high0 Ų037.6 Ų37.60%017%0.174CC..EExtended strand (participates in β ladder)trans-103.5115.9165.1171.560.7000109.4L174 T176 P197 I401 P406 H408 V409 M410L174-L200 HydrophobicContact CB-CD1 4.06Å; L174-L200 HydrophobicContact CD2-CD1 3.89Å; L174-L200 HydrophobicContact CG-CD1 3.88Å; T176-L200 HydrophobicContact CG2-CD1 3.79Å; P197-L200 HydrophobicContact CG-CB 4.48Å; L200-I401 HydrophobicContact CD2-CG1 3.81Å; L200-P406 HydrophobicContact CB-CB 3.69Å; L200-P406 HydrophobicContact CB-CG 3.95Å; L200-P406 HydrophobicContact CD2-CG 4.07Å; L200-H408 PolarHBondContact N-O 3.2Å; L200-V409 CarbonylContact O-C 3.16Å; L200-V409 WeakPolarHBondContact O-CA 3.13Å; L200-M410 PolarHBondContact O-N 3.26Å
201I98.7Very high93.4Very high0 Ų038.7 Ų38.70%018%0.177CC..EExtended strand (participates in β ladder)trans-99.2113.1172.3-52.5178.2000107.7V6 I20 V22 V173 L174 Y175 T176 L199 M410 V412V6-I201 HydrophobicContact CG1-CD1 4.36Å; I20-I201 HydrophobicContact CG2-CD1 4.16Å; V22-I201 HydrophobicContact CG2-CD1 3.77Å; V173-I201 HydrophobicContact CG1-CD1 3.82Å; V173-I201 HydrophobicContact CG1-CG1 4.09Å; L174-I201 PolarHBondContact O-N 2.86Å; Y175-I201 HydrophobicContact CD2-CB 3.92Å; Y175-I201 HydrophobicContact CD2-CG2 3.73Å; Y175-I201 HydrophobicContact CE2-CG2 4.01Å; T176-I201 PolarHBondContact N-O 2.77Å; T176-I201 PolarHBondContact OG1-O 3.48Å; L199-I201 HydrophobicContact CD2-CD1 3.9Å; L199-I201 HydrophobicContact CD2-CG1 3.75Å; L199-I201 HydrophobicContact CG-CG1 3.84Å; I201-M410 WeakPolarHBondContact CA-O 3.23Å; I201-M410 HydrophobicContact CG1-CB 4.3Å; I201-V412 HydrophobicContact CG2-CG1 3.92Å; I201-V412 HydrophobicContact CG2-CG2 3.73Å
202T98.4Very high92.8Very high0 Ų037.4 Ų37.40%018%0.18CC..EExtended strand (participates in β ladder)trans-124.9145.6-171.5-175.20000112.6T176 Y179 I397 V409 M410 L411 V412T176-T202 WeakPolarHBondContact OG1-CA 3.34Å; Y179-T202 WeakPolarHBondContact CE1-OG1 3.4Å; Y179-T202 PolarHBondContact OH-OG1 3.08Å; Y179-T202 VanDerWaalsContact OH-OG1 3.1Å; T202-I397 HydrophobicContact CG2-CG2 4.35Å; T202-V409 HydrophobicContact CG2-CG1 4.01Å; T202-M410 PolarHBondContact N-O 3.15Å; T202-L411 HydrophobicContact CG2-CD2 3.69Å; T202-V412 PolarHBondContact O-N 3.44Å
203E97.4Very high92.5Very high2 Ų240.5 Ų40.51%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-61.9159.1168.467.3154.6152.500111.6T176 D178 Y179 T205 H391 A392 V412 H413T176-E203 PolarHBondContact OG1-N 3.09Å; D178-E203 WeakPolarHBondContact CA-OE1 3.33Å; Y179-E203 HydrophobicContact CD1-CG 3.73Å; Y179-E203 HydrophobicContact CE1-CG 3.57Å; Y179-E203 PolarHBondContact N-OE1 3.06Å; Y179-E203 VanDerWaalsContact O-OE1 3.11Å; E203-T205 WeakPolarHBondContact OE2-CB 3.37Å; E203-T205 PolarHBondContact OE2-OG1 3.23Å; E203-H391 IonicContact OE1-ND1 2.91Å; E203-H391 IonicContact OE2-CE1 2.78Å; E203-H391 IonicContact OE2-CG 2.8Å; E203-H391 IonicContact OE2-ND1 3.14Å; E203-H391 PolarHBondContact OE2-ND1 3.42Å; E203-A392 PolarHBondContact OE1-N 2.99Å; E203-A392 VanDerWaalsContact OE1-N 3.11Å; E203-V412 CarbonylContact C-O 3.57Å; E203-V412 WeakPolarHBondContact CA-O 2.84Å; E203-H413 HydrophobicContact CB-CB 4.15Å
204S96.2Very high92.3Very high0 Ų041 Ų410%020%0.199CC..  trans-141.927-18058.70000112.7Y206 A207 V412 H413 G414 M419S204-Y206 PolarHBondContact O-N 3.3Å; S204-Y206 VanDerWaalsContact O-N 3.12Å; S204-A207 WeakPolarHBondContact O-CB 3.4Å; S204-A207 PolarHBondContact O-N 3.07Å; S204-A207 VanDerWaalsContact O-N 3.11Å; S204-V412 PolarHBondContact N-O 2.85Å; S204-V412 PolarHBondContact OG-O 3.34Å; S204-H413 CarbonylContact C-O 3.53Å; S204-H413 VanDerWaalsContact C-O 3.26Å; S204-H413 PolarHBondContact N-O 2.97Å; S204-H413 PolarHBondContact OG-O 3.2Å; S204-G414 WeakPolarHBondContact OG-CA 3.38Å; S204-M419 WeakPolarHBondContact OG-CE 3.35Å; S204-M419 WeakPolarHBondContact OG-CG 3.34Å
205T90.7Very high92.2Very high11 Ų1143.2 Ų43.27%0.06721%0.208CC..THydrogen-bonded Turntrans-51.4-41.4-176.7-50.80000112.9E203 H391 H413E203-T205 WeakPolarHBondContact OE2-CB 3.37Å; E203-T205 PolarHBondContact OE2-OG1 3.23Å; T205-H391 HydrophobicContact CG2-CB 4.49Å; T205-H391 PolarHBondContact OG1-ND1 3.5Å; T205-H413 PolarHBondContact N-O 3.26Å; T205-H413 PolarHBondContact OG1-ND1 3.06Å; T205-H413 PolarHBondContact OG1-O 2.93Å
206Y89Confident92.2Very high11 Ų1144.8 Ų44.84%0.04322%0.217CC..BIsolated β-bridgetrans-117.238.2-179.3-71.6-82.4000112.7S204 T208 T209 R211 S389 H391 A394S204-Y206 PolarHBondContact O-N 3.3Å; S204-Y206 VanDerWaalsContact O-N 3.12Å; Y206-T208 PolarHBondContact O-N 2.92Å; Y206-T209 HydrophobicContact CD1-CG2 4.08Å; Y206-T209 PolarHBondContact O-N 3.05Å; Y206-R211 VanDerWaalsContact CE2-NH2 3.33Å; Y206-S389 WeakPolarHBondContact CE2-OG 3.4Å; Y206-S389 WeakPolarHBondContact OH-CB 3.44Å; Y206-S389 PolarHBondContact OH-OG 3Å; Y206-H391 HydrophobicContact CD2-CB 3.66Å; Y206-H391 HydrophobicContact CE2-CB 3.81Å; Y206-A394 PolarHBondContact O-N 3.07Å
207A88.5Confident92Very high0 Ų038.4 Ų38.40%019%0.193CC..THydrogen-bonded Turntrans-49.8-33.5-174.900000115.3S204 A394 K418 L422S204-A207 WeakPolarHBondContact O-CB 3.4Å; S204-A207 PolarHBondContact O-N 3.07Å; S204-A207 VanDerWaalsContact O-N 3.11Å; A207-A394 VanDerWaalsContact O-CB 3.31Å; A207-A394 WeakPolarHBondContact O-CB 3.29Å; A207-K418 HydrophobicContact CB-CB 4.04Å; A207-K418 WeakPolarHBondContact CB-O 3.28Å; A207-L422 HydrophobicContact CB-CB 3.71Å; A207-L422 HydrophobicContact CB-CD2 3.73Å; A207-L422 HydrophobicContact CB-CG 4.32Å
208T90.3Very high91.9Very high62 Ų6239.3 Ų39.338%0.3820%0.197SC..THydrogen-bonded Turntrans-105.3-6.2-179.256.10000113.8Y206 K418 F421Y206-T208 PolarHBondContact O-N 2.92Å; T208-K418 HydrophobicContact CG2-CB 4.03Å; T208-K418 HydrophobicContact CG2-CG 4.06Å; T208-F421 HydrophobicContact CG2-CB 3.86Å; T208-F421 HydrophobicContact CG2-CD1 3.7Å; T208-F421 HydrophobicContact CG2-CE1 4.49Å; T208-F421 HydrophobicContact CG2-CG 3.89Å
209T87.1Confident91.7Very high52 Ų5245.6 Ų45.632%0.31922%0.22SC..  trans-96.3130.4-174.2-540000110.1Y206 R211 D393 A394Y206-T209 HydrophobicContact CD1-CG2 4.08Å; Y206-T209 PolarHBondContact O-N 3.05Å; T209-R211 HydrophobicContact CG2-CG 4.41Å; T209-D393 WeakPolarHBondContact O-CB 3.47Å; T209-A394 WeakPolarHBondContact O-CB 3.27Å; T209-A394 PolarHBondContact O-N 3.19Å
210I87.4Confident91.6Very high122 Ų12248.7 Ų48.763%0.62623%0.234SC*.  trans-107.5123.6166.6-61.5174.8000106.1A394I210-A394 HydrophobicContact CG1-CB 4.37Å
211R84Confident91.5Very high32 Ų3248.7 Ų48.712%0.12123%0.234CC..PPolyproline II helixtrans-85.7145.2-178-66.1-175.3-171.1142.49.7111.3Y206 T209 S389 H391 D393Y206-R211 VanDerWaalsContact CE2-NH2 3.33Å; T209-R211 HydrophobicContact CG2-CG 4.41Å; R211-S389 PolarHBondContact NH1-O 3.35Å; R211-S389 PolarHBondContact NH2-OG 3.46Å; R211-H391 PolarHBondContact NH1-O 3.11Å; R211-H391 PolarHBondContact NH2-O 2.92Å; R211-D393 HydrophobicContact CG-CB 3.97Å; R211-D393 PolarHBondContact N-OD2 3.1Å; R211-D393 VanDerWaalsContact N-OD2 3.1Å
212D84.1Confident91.4Very high109 Ų10949.6 Ų49.658%0.58324%0.239SC*.PPolyproline II helixtrans-60.2158.7166.3-70.3-45.2000111.6K214 R217D212-K214 PolarHBondContact O-N 2.88Å; D212-R217 HydrophobicContact CB-CG 4.1Å; D212-R217 PolarHBondContact O-NE 3.07Å; D212-R217 VanDerWaalsContact O-NE 3.11Å
213S88.5Confident91.2Very high66 Ų6654.6 Ų54.646%0.46226%0.263SS..PPolyproline II helixtrans-51138.317694.60000110.4R215 T216 R217S213-R215 PolarHBondContact O-N 2.78Å; S213-R215 VanDerWaalsContact O-N 3.15Å; S213-T216 PolarHBondContact O-N 3.01Å; S213-T216 PolarHBondContact OG-N 3.48Å; S213-T216 VanDerWaalsContact OG-N 3.16Å; S213-T216 PolarHBondContact OG-OG1 3.11Å; S213-R217 PolarHBondContact O-N 3.41Å
214K87.3Confident91.2Very high47 Ų4757.1 Ų57.120%0.20427%0.273CS..Hα-helixtrans-50-42177.1178.6174.2179.4164.30111.6P183 D184 D212 T216 R217 E218 E247P183-K214 PolarHBondContact O-NZ 3.21Å; D184-K214 VanDerWaalsContact CA-NZ 3.34Å; D184-K214 IonicContact OD1-NZ 3.75Å; D212-K214 PolarHBondContact O-N 2.88Å; K214-T216 PolarHBondContact O-N 3.3Å; K214-R217 PolarHBondContact O-N 2.91Å; K214-E218 WeakPolarHBondContact CE-OE1 3.42Å; K214-E218 HydrophobicContact CG-CG 4.23Å; K214-E218 IonicContact NZ-OE1 3.76Å; K214-E218 WeakPolarHBondContact O-CB 3.46Å; K214-E218 VanDerWaalsContact O-CG 3.31Å; K214-E218 WeakPolarHBondContact O-CG 3.45Å; K214-E218 PolarHBondContact O-N 3.49Å; K214-E247 WeakPolarHBondContact CE-OE1 3.39Å; K214-E247 IonicContact NZ-OE1 2.76Å; K214-E247 PolarHBondContact NZ-OE1 2.87Å
215R90.5Very high91.3Very high212 Ų21257.1 Ų57.180%0.827%0.273SS*.Hα-helixtrans-62-40.9179.8-67.2-177.5179.1172.3-0.2112.6S213 R219S213-R215 PolarHBondContact O-N 2.78Å; S213-R215 VanDerWaalsContact O-N 3.15Å; R215-R219 WeakPolarHBondContact O-CB 3.34Å; R215-R219 PolarHBondContact O-N 2.83Å
216T92.3Very high91.6Very high49 Ų4958.5 Ų58.530%0.30128%0.279SS..Hα-helixtrans-64.2-48.2177.9-52.90000110.6S213 K214 R219 E220S213-T216 PolarHBondContact O-N 3.01Å; S213-T216 PolarHBondContact OG-N 3.48Å; S213-T216 VanDerWaalsContact OG-N 3.16Å; S213-T216 PolarHBondContact OG-OG1 3.11Å; K214-T216 PolarHBondContact O-N 3.3Å; T216-R219 PolarHBondContact O-N 3.02Å; T216-E220 PolarHBondContact O-N 2.89Å
217R91Very high91.9Very high24 Ų2460.7 Ų60.79%0.09130%0.299CS..Hα-helixtrans-63.1-43.6179.5-67-173.3-74.8127.40.7112.5D212 S213 K214 R219 E220 F221 S387 F388D212-R217 HydrophobicContact CB-CG 4.1Å; D212-R217 PolarHBondContact O-NE 3.07Å; D212-R217 VanDerWaalsContact O-NE 3.11Å; S213-R217 PolarHBondContact O-N 3.41Å; K214-R217 PolarHBondContact O-N 2.91Å; R217-R219 VanDerWaalsContact C-N 3.35Å; R217-E220 PolarHBondContact O-N 3.41Å; R217-F221 VanDerWaalsContact O-CB 3.3Å; R217-F221 WeakPolarHBondContact O-CB 3.48Å; R217-F221 PolarHBondContact O-N 3.45Å; R217-S387 VanDerWaalsContact CD-O 3.26Å; R217-S387 WeakPolarHBondContact CD-O 3.22Å; R217-S387 PolarHBondContact NH1-O 2.99Å; R217-F388 HydrophobicContact CB-CZ 4.39Å
218E93.8Very high92.4Very high19 Ų1964.2 Ų64.29%0.08931%0.313CS..Hα-helixtrans-60.3-44.2175.2-74.7-174.3164.200111.6R185 K214 F221 L222 L251 F388R185-E218 IonicContact CZ-OE1 3.72Å; R185-E218 IonicContact CZ-OE2 3.44Å; R185-E218 IonicContact NE-OE1 2.78Å; R185-E218 PolarHBondContact NE-OE1 3.3Å; R185-E218 IonicContact NE-OE2 3.8Å; R185-E218 VanDerWaalsContact NH2-CD 3.31Å; R185-E218 IonicContact NH2-OE1 3.95Å; R185-E218 PolarHBondContact NH2-OE1 3.33Å; R185-E218 IonicContact NH2-OE2 3.19Å; R185-E218 PolarHBondContact NH2-OE2 2.83Å; K214-E218 WeakPolarHBondContact CE-OE1 3.42Å; K214-E218 HydrophobicContact CG-CG 4.23Å; K214-E218 IonicContact NZ-OE1 3.76Å; K214-E218 WeakPolarHBondContact O-CB 3.46Å; K214-E218 VanDerWaalsContact O-CG 3.31Å; K214-E218 WeakPolarHBondContact O-CG 3.45Å; K214-E218 PolarHBondContact O-N 3.49Å; E218-F221 PolarHBondContact O-N 3.05Å; E218-L222 WeakPolarHBondContact O-CB 3.33Å; E218-L222 WeakPolarHBondContact O-CG 3.47Å; E218-L222 PolarHBondContact O-N 3.45Å; E218-L251 HydrophobicContact CB-CD1 4.13Å; E218-L251 HydrophobicContact CB-CD2 4.17Å; E218-L251 HydrophobicContact CG-CD1 3.98Å; E218-L251 HydrophobicContact CG-CD2 3.89Å; E218-F388 HydrophobicContact CG-CE1 4.22Å
219R94.6Very high92.7Very high139 Ų13961.4 Ų61.453%0.52530%0.295SS..Hα-helixtrans-62.3-50.8177.7-179.8-17966-150-2.2111.5R215 T216 R217 F221 L222 E223R215-R219 WeakPolarHBondContact O-CB 3.34Å; R215-R219 PolarHBondContact O-N 2.83Å; T216-R219 PolarHBondContact O-N 3.02Å; R217-R219 VanDerWaalsContact C-N 3.35Å; R219-F221 VanDerWaalsContact C-N 3.29Å; R219-F221 PolarHBondContact O-N 2.78Å; R219-L222 PolarHBondContact O-N 2.91Å; R219-E223 VanDerWaalsContact CD-OE1 3.32Å; R219-E223 WeakPolarHBondContact CD-OE1 3.22Å; R219-E223 VanDerWaalsContact CG-CD 3.49Å; R219-E223 HydrophobicContact CG-CG 4.2Å; R219-E223 WeakPolarHBondContact CG-OE1 3.32Å; R219-E223 WeakPolarHBondContact O-CB 3.41Å; R219-E223 WeakPolarHBondContact O-CG 3.38Å; R219-E223 PolarHBondContact O-N 3.23Å
220E95.1Very high93.1Very high65 Ų6566.1 Ų66.130%0.30431%0.314SS..Hα-helixtrans-58.7-41.9-179.8-174.6-175.4174.600111.8T216 R217 K224 L386T216-E220 PolarHBondContact O-N 2.89Å; R217-E220 PolarHBondContact O-N 3.41Å; E220-K224 HydrophobicContact CG-CD 4.04Å; E220-K224 WeakPolarHBondContact O-CB 3.28Å; E220-K224 WeakPolarHBondContact O-CG 3.37Å; E220-K224 PolarHBondContact O-N 3.46Å; E220-K224 WeakPolarHBondContact OE1-CE 3.32Å; E220-K224 IonicContact OE1-NZ 2.69Å; E220-K224 PolarHBondContact OE1-NZ 3.11Å; E220-L386 VanDerWaalsContact CD-CD2 3.46Å; E220-L386 HydrophobicContact CG-CD2 3.91Å; E220-L386 WeakPolarHBondContact OE1-CD2 3.35Å
221F95.7Very high93.5Very high0 Ų064 Ų640%031%0.314CS..Hα-helixtrans-60.2-48.8175.5178-97.6000112.9R217 E218 R219 I225 I237 L248 L251 L252 V349 L386 F388R217-F221 VanDerWaalsContact O-CB 3.3Å; R217-F221 WeakPolarHBondContact O-CB 3.48Å; R217-F221 PolarHBondContact O-N 3.45Å; E218-F221 PolarHBondContact O-N 3.05Å; R219-F221 VanDerWaalsContact C-N 3.29Å; R219-F221 PolarHBondContact O-N 2.78Å; F221-I225 HydrophobicContact CD1-CD1 3.93Å; F221-I225 HydrophobicContact CD2-CD1 3.87Å; F221-I225 HydrophobicContact CE1-CD1 3.52Å; F221-I225 HydrophobicContact CE2-CD1 3.44Å; F221-I225 VanDerWaalsContact CE2-CD1 3.44Å; F221-I225 HydrophobicContact CG-CD1 4.1Å; F221-I225 HydrophobicContact CZ-CD1 3.24Å; F221-I225 WeakPolarHBondContact O-CB 3.18Å; F221-I225 VanDerWaalsContact O-CG1 3.26Å; F221-I225 WeakPolarHBondContact O-CG1 3.3Å; F221-I225 PolarHBondContact O-N 3.01Å; F221-I225 VanDerWaalsContact O-N 3.12Å; F221-I237 HydrophobicContact CE2-CD1 4.26Å; F221-I237 HydrophobicContact CZ-CD1 3.92Å; F221-L248 HydrophobicContact CE1-CD2 4.11Å; F221-L248 HydrophobicContact CE2-CD1 4.41Å; F221-L248 HydrophobicContact CE2-CD2 3.99Å; F221-L248 HydrophobicContact CZ-CB 4.28Å; F221-L248 HydrophobicContact CZ-CD1 4.36Å; F221-L248 HydrophobicContact CZ-CD2 3.76Å; F221-L248 HydrophobicContact CZ-CG 4.35Å; F221-L251 HydrophobicContact CD1-CD2 3.6Å; F221-L251 HydrophobicContact CD1-CG 4.44Å; F221-L251 HydrophobicContact CE1-CD2 3.96Å; F221-L251 HydrophobicContact CG-CD2 4.46Å; F221-L252 HydrophobicContact CD1-CD2 4.35Å; F221-L252 HydrophobicContact CE1-CD1 4.34Å; F221-L252 HydrophobicContact CE1-CD2 3.62Å; F221-L252 HydrophobicContact CE1-CG 3.8Å; F221-L252 HydrophobicContact CZ-CD1 4.39Å; F221-L252 HydrophobicContact CZ-CD2 4.35Å; F221-L252 HydrophobicContact CZ-CG 4.31Å; F221-V349 HydrophobicContact CD2-CG1 4.12Å; F221-V349 HydrophobicContact CE2-CG1 4Å; F221-L386 HydrophobicContact CB-CD1 3.88Å; F221-L386 HydrophobicContact CD2-CD1 3.7Å; F221-L386 HydrophobicContact CG-CD1 4.25Å; F221-F388 HydrophobicContact CB-CE2 3.57Å; F221-F388 HydrophobicContact CB-CZ 3.48Å; F221-F388 VanDerWaalsContact CB-CZ 3.48Å; F221-F388 HydrophobicContact CD1-CZ 4.29Å; F221-F388 HydrophobicContact CD2-CD2 4.24Å; F221-F388 AromaticContact CD2-CE2 3.47Å; F221-F388 HydrophobicContact CD2-CE2 3.47Å; F221-F388 VanDerWaalsContact CD2-CE2 3.47Å; F221-F388 HydrophobicContact CD2-CZ 4.01Å; F221-F388 HydrophobicContact CE2-CE2 4.29Å; F221-F388 AromaticContact CG-CE2 3.64Å; F221-F388 HydrophobicContact CG-CE2 3.64Å; F221-F388 AromaticContact CG-CZ 3.69Å; F221-F388 HydrophobicContact CG-CZ 3.69Å
222L96.5Very high94Very high19 Ų1963.9 Ų63.910%0.09932%0.323CS..Hα-helixtrans-65-44.4179.6-68.8171.6000111.5E218 R219 H226 L251 L252 Y255E218-L222 WeakPolarHBondContact O-CB 3.33Å; E218-L222 WeakPolarHBondContact O-CG 3.47Å; E218-L222 PolarHBondContact O-N 3.45Å; R219-L222 PolarHBondContact O-N 2.91Å; L222-H226 WeakPolarHBondContact O-CB 3.41Å; L222-H226 PolarHBondContact O-N 2.8Å; L222-L251 HydrophobicContact CD1-CD1 3.94Å; L222-L251 HydrophobicContact CD1-CG 4.33Å; L222-L251 HydrophobicContact CD2-CG 4.05Å; L222-L251 HydrophobicContact CG-CD1 4.41Å; L222-L251 HydrophobicContact CG-CG 4.27Å; L222-L252 HydrophobicContact CD2-CD2 3.82Å; L222-Y255 HydrophobicContact CB-CD2 4.23Å; L222-Y255 HydrophobicContact CB-CE1 4.48Å; L222-Y255 HydrophobicContact CB-CE2 4.16Å; L222-Y255 HydrophobicContact CB-CG 4.39Å; L222-Y255 HydrophobicContact CD1-CD2 3.61Å; L222-Y255 HydrophobicContact CD1-CE2 4.19Å; L222-Y255 HydrophobicContact CD1-CG 3.99Å; L222-Y255 HydrophobicContact CD2-CD1 3.91Å; L222-Y255 HydrophobicContact CD2-CD2 4.09Å; L222-Y255 HydrophobicContact CD2-CG 3.58Å; L222-Y255 HydrophobicContact CG-CD2 4.18Å; L222-Y255 HydrophobicContact CG-CG 4.18Å
223E96Very high94.6Very high105 Ų10558.7 Ų58.749%0.49130%0.295SS..Hα-helixtrans-61.7-48.8178.7-74.6170.9176.400111.8R219 I225 H226 A227R219-E223 VanDerWaalsContact CD-OE1 3.32Å; R219-E223 WeakPolarHBondContact CD-OE1 3.22Å; R219-E223 VanDerWaalsContact CG-CD 3.49Å; R219-E223 HydrophobicContact CG-CG 4.2Å; R219-E223 WeakPolarHBondContact CG-OE1 3.32Å; R219-E223 WeakPolarHBondContact O-CB 3.41Å; R219-E223 WeakPolarHBondContact O-CG 3.38Å; R219-E223 PolarHBondContact O-N 3.23Å; E223-I225 PolarHBondContact O-N 2.84Å; E223-H226 PolarHBondContact O-N 2.81Å; E223-A227 VanDerWaalsContact O-CB 3.27Å; E223-A227 WeakPolarHBondContact O-CB 3.44Å; E223-A227 PolarHBondContact O-N 2.87Å
224K96.8Very high95.1Very high55 Ų5556.8 Ų56.824%0.23928%0.279CS..Hα-helixtrans-62.6-43.9179.8-77.5179.4170.2174.90112.3E220 R228 M347 E384 L386E220-K224 HydrophobicContact CG-CD 4.04Å; E220-K224 WeakPolarHBondContact O-CB 3.28Å; E220-K224 WeakPolarHBondContact O-CG 3.37Å; E220-K224 PolarHBondContact O-N 3.46Å; E220-K224 WeakPolarHBondContact OE1-CE 3.32Å; E220-K224 IonicContact OE1-NZ 2.69Å; E220-K224 PolarHBondContact OE1-NZ 3.11Å; K224-R228 WeakPolarHBondContact O-CB 3.43Å; K224-R228 PolarHBondContact O-N 3.39Å; K224-M347 HydrophobicContact CB-CE 4.38Å; K224-M347 HydrophobicContact CB-SD 4.49Å; K224-M347 WeakPolarHBondContact O-CE 3.23Å; K224-E384 HydrophobicContact CD-CG 4.24Å; K224-E384 WeakPolarHBondContact CE-OE2 3.41Å; K224-E384 IonicContact NZ-OE1 3.89Å; K224-E384 IonicContact NZ-OE2 2.68Å; K224-E384 PolarHBondContact NZ-OE2 3.05Å; K224-L386 HydrophobicContact CD-CD1 4.25Å; K224-L386 HydrophobicContact CD-CD2 4.3Å
225I97.3Very high95.6Very high0 Ų054.5 Ų54.50%027%0.269CS..Hα-helixtrans-68.3-47.8179.5-65.5175.5000110.2F221 E223 R228 V229 V235 I237 L252 W256 V320 M347 V349F221-I225 HydrophobicContact CD1-CD1 3.93Å; F221-I225 HydrophobicContact CD2-CD1 3.87Å; F221-I225 HydrophobicContact CE1-CD1 3.52Å; F221-I225 HydrophobicContact CE2-CD1 3.44Å; F221-I225 VanDerWaalsContact CE2-CD1 3.44Å; F221-I225 HydrophobicContact CG-CD1 4.1Å; F221-I225 HydrophobicContact CZ-CD1 3.24Å; F221-I225 WeakPolarHBondContact O-CB 3.18Å; F221-I225 VanDerWaalsContact O-CG1 3.26Å; F221-I225 WeakPolarHBondContact O-CG1 3.3Å; F221-I225 PolarHBondContact O-N 3.01Å; F221-I225 VanDerWaalsContact O-N 3.12Å; E223-I225 PolarHBondContact O-N 2.84Å; I225-R228 PolarHBondContact O-N 3.43Å; I225-V229 WeakPolarHBondContact O-CG2 3.5Å; I225-V229 PolarHBondContact O-N 2.79Å; I225-V235 HydrophobicContact CG1-CG1 4.19Å; I225-V235 HydrophobicContact CG2-CG1 4.44Å; I225-V235 HydrophobicContact CG2-CG2 4.26Å; I225-I237 HydrophobicContact CD1-CD1 3.75Å; I225-L252 HydrophobicContact CD1-CD1 4.41Å; I225-L252 HydrophobicContact CD1-CD2 3.96Å; I225-L252 HydrophobicContact CG2-CD2 4.38Å; I225-W256 HydrophobicContact CG2-CH2 3.77Å; I225-V320 HydrophobicContact CG2-CG2 3.83Å; I225-M347 HydrophobicContact CG1-CE 4.07Å; I225-V349 HydrophobicContact CG1-CG2 4.38Å
226H96.9Very high96Very high40 Ų4044.4 Ų44.419%0.18523%0.231CC..Hα-helixtrans-60.2-49.9-178.6-171.7-175.6000111.3L222 E223 R228 V229 E230 Y255L222-H226 WeakPolarHBondContact O-CB 3.41Å; L222-H226 PolarHBondContact O-N 2.8Å; E223-H226 PolarHBondContact O-N 2.81Å; H226-R228 PolarHBondContact O-N 2.92Å; H226-V229 WeakPolarHBondContact O-CG2 3.44Å; H226-V229 PolarHBondContact O-N 2.75Å; H226-E230 WeakPolarHBondContact O-CB 3.42Å; H226-E230 PolarHBondContact O-N 3.17Å; H226-Y255 HydrophobicContact CB-CE1 4.05Å; H226-Y255 AromaticContact ND1-CE1 3.63Å; H226-Y255 AromaticContact ND1-CZ 3.72Å; H226-Y255 PolarHBondContact ND1-OH 3.05Å
227A96.9Very high96.1Very high57 Ų5742.1 Ų42.147%0.47122%0.217SC..Hα-helixtrans-58.4-36.4177.800000112.3E223 A231E223-A227 VanDerWaalsContact O-CB 3.27Å; E223-A227 WeakPolarHBondContact O-CB 3.44Å; E223-A227 PolarHBondContact O-N 2.87Å; A227-A231 WeakPolarHBondContact O-CB 3.15Å; A227-A231 PolarHBondContact O-N 3.41Å; A227-A231 VanDerWaalsContact O-N 3.15Å
228R97.4Very high96.2Very high74 Ų7441 Ų4128%0.27921%0.212SC..Hα-helixtrans-68.8-44.8179.2-165.563.248.1178-0.3112.6K224 I225 H226 A231 G233 V235 R345 M347K224-R228 WeakPolarHBondContact O-CB 3.43Å; K224-R228 PolarHBondContact O-N 3.39Å; I225-R228 PolarHBondContact O-N 3.43Å; H226-R228 PolarHBondContact O-N 2.92Å; R228-A231 PolarHBondContact O-N 3.19Å; R228-G233 WeakPolarHBondContact O-CA 3.47Å; R228-G233 PolarHBondContact O-N 3.12Å; R228-V235 HydrophobicContact CB-CG2 3.88Å; R228-V235 HydrophobicContact CG-CG2 3.81Å; R228-R345 WeakPolarHBondContact CD-O 3.2Å; R228-M347 HydrophobicContact CB-CE 3.91Å; R228-M347 HydrophobicContact CG-CB 3.75Å; R228-M347 HydrophobicContact CG-CE 4.19Å
229V97Very high96.1Very high3 Ų340.2 Ų40.22%0.01821%0.209CC..Hα-helixtrans-72.9-32.4-180-62.60000112I225 H226 A231 G232 V235 W256 V263 P318 V320I225-V229 WeakPolarHBondContact O-CG2 3.5Å; I225-V229 PolarHBondContact O-N 2.79Å; H226-V229 WeakPolarHBondContact O-CG2 3.44Å; H226-V229 PolarHBondContact O-N 2.75Å; V229-A231 VanDerWaalsContact C-N 3.31Å; V229-G232 PolarHBondContact O-N 3.24Å; V229-V235 HydrophobicContact CG1-CG2 3.94Å; V229-W256 HydrophobicContact CG2-CZ2 4.46Å; V229-V263 HydrophobicContact CB-CG1 4.02Å; V229-V263 HydrophobicContact CB-CG2 4.24Å; V229-V263 HydrophobicContact CG1-CG1 4.13Å; V229-V263 HydrophobicContact CG2-CG1 4.48Å; V229-V263 HydrophobicContact CG2-CG2 4.23Å; V229-P318 HydrophobicContact CB-CB 4.07Å; V229-P318 VanDerWaalsContact O-CB 3.3Å; V229-P318 WeakPolarHBondContact O-CB 3.39Å; V229-V320 HydrophobicContact CG1-CG2 3.74Å
230E95.6Very high95.5Very high152 Ų15237.9 Ų37.971%0.7120%0.203SC*.Hα-helixtrans-64.1-37.2173.6-171.7175.3-160.400111.5H226 G232H226-E230 WeakPolarHBondContact O-CB 3.42Å; H226-E230 PolarHBondContact O-N 3.17Å; E230-G232 PolarHBondContact O-N 2.61Å; E230-G232 VanDerWaalsContact O-N 3.15Å
231A95.8Very high94.6Very high76 Ų7635.2 Ų35.263%0.62819%0.192SC*.THydrogen-bonded Turntrans-72.54.4171.300000114.3A227 R228 V229 G233A227-A231 WeakPolarHBondContact O-CB 3.15Å; A227-A231 PolarHBondContact O-N 3.41Å; A227-A231 VanDerWaalsContact O-N 3.15Å; R228-A231 PolarHBondContact O-N 3.19Å; V229-A231 VanDerWaalsContact C-N 3.31Å; A231-G233 VanDerWaalsContact C-N 3.35Å
232G95.8Very high93.9Very high30 Ų3035.7 Ų35.731%0.30920%0.195SC..THydrogen-bonded Turntrans80.810.1179.400000115V229 E230V229-G232 PolarHBondContact O-N 3.24Å; E230-G232 PolarHBondContact O-N 2.61Å; E230-G232 VanDerWaalsContact O-N 3.15Å
233G97Very high93.2Very high0 Ų034.9 Ų34.90%019%0.191CC..  trans-80.9159.6179.100000114.1R228 A231 P318 R345R228-G233 WeakPolarHBondContact O-CA 3.47Å; R228-G233 PolarHBondContact O-N 3.12Å; A231-G233 VanDerWaalsContact C-N 3.35Å; G233-P318 WeakPolarHBondContact O-CA 3.23Å; G233-P318 WeakPolarHBondContact O-CB 3.45Å; G233-R345 VanDerWaalsContact CA-O 3.23Å; G233-R345 WeakPolarHBondContact CA-O 3.48Å
234K98.1Very high92.7Very high26 Ų2631.3 Ų31.311%0.11317%0.173CC..EExtended strand (participates in β ladder)trans-97.3141.4171.3-53.9-175.5177.5-177.10110.8V313 N315 G317 M319 W340 N346 M347K234-V313 PolarHBondContact NZ-O 2.95Å; K234-V313 VanDerWaalsContact NZ-O 3.07Å; K234-N315 WeakPolarHBondContact CE-O 3.41Å; K234-N315 PolarHBondContact NZ-O 3.02Å; K234-G317 WeakPolarHBondContact CE-O 3.24Å; K234-M319 WeakPolarHBondContact CA-O 3.32Å; K234-M319 HydrophobicContact CB-CG 4.27Å; K234-M319 HydrophobicContact CD-CE 4.38Å; K234-M319 HydrophobicContact CD-CG 4.14Å; K234-M319 HydrophobicContact CD-SD 4.3Å; K234-M319 HydrophobicContact CG-CG 4.05Å; K234-W340 HydrophobicContact CB-CD2 4.06Å; K234-W340 HydrophobicContact CB-CE3 3.8Å; K234-W340 HydrophobicContact CB-CH2 4.02Å; K234-W340 HydrophobicContact CB-CZ2 4.31Å; K234-W340 HydrophobicContact CB-CZ3 3.79Å; K234-W340 HydrophobicContact CD-CD2 3.96Å; K234-W340 VanDerWaalsContact CD-CE2 3.49Å; K234-W340 HydrophobicContact CD-CE3 4.5Å; K234-W340 HydrophobicContact CD-CG 4.41Å; K234-W340 HydrophobicContact CD-CH2 4.17Å; K234-W340 HydrophobicContact CD-CZ2 3.64Å; K234-N346 WeakPolarHBondContact CB-OD1 3.22Å; K234-N346 PolarHBondContact N-OD1 3.42Å; K234-N346 CarbonylContact O-C 3.48Å; K234-N346 VanDerWaalsContact O-CA 3.24Å; K234-N346 WeakPolarHBondContact O-CA 3.36Å; K234-N346 WeakPolarHBondContact O-CB 3.31Å; K234-M347 PolarHBondContact O-N 3.17Å
235V98.2Very high92.3Very high0 Ų028.7 Ų28.70%016%0.162CC..EExtended strand (participates in β ladder)trans-116120.9178.9-177.40000110.2I225 R228 V229 I237 M319 V320 V321 M347 V349I225-V235 HydrophobicContact CG1-CG1 4.19Å; I225-V235 HydrophobicContact CG2-CG1 4.44Å; I225-V235 HydrophobicContact CG2-CG2 4.26Å; R228-V235 HydrophobicContact CB-CG2 3.88Å; R228-V235 HydrophobicContact CG-CG2 3.81Å; V229-V235 HydrophobicContact CG1-CG2 3.94Å; V235-I237 HydrophobicContact CG1-CD1 4.42Å; V235-I237 HydrophobicContact CG1-CG1 3.98Å; V235-M319 PolarHBondContact N-O 3.46Å; V235-V320 HydrophobicContact CB-CG1 4.29Å; V235-V320 HydrophobicContact CB-CG2 4.23Å; V235-V320 HydrophobicContact CG1-CG1 4.4Å; V235-V320 CarbonylContact O-C 3.58Å; V235-V320 WeakPolarHBondContact O-CA 3.44Å; V235-V321 PolarHBondContact O-N 3.11Å; V235-M347 CarbonylContact C-O 3.49Å; V235-M347 VanDerWaalsContact CA-O 3.31Å; V235-M347 WeakPolarHBondContact CA-O 3.5Å; V235-M347 HydrophobicContact CG1-CE 3.97Å; V235-M347 HydrophobicContact CG2-CE 3.92Å; V235-V349 HydrophobicContact CG1-CG2 4.1Å
236L97.4Very high91.9Very high0 Ų028.8 Ų28.80%016%0.162CC..EExtended strand (participates in β ladder)trans-100.5128.5171.6176.662.4000110A323 L328 I336 F337 W340 M347 V348 V349L236-A323 HydrophobicContact CD1-CB 3.83Å; L236-L328 HydrophobicContact CD2-CD2 4.23Å; L236-I336 HydrophobicContact CD1-CB 4.12Å; L236-I336 HydrophobicContact CD1-CD1 4.4Å; L236-I336 HydrophobicContact CD1-CG2 3.81Å; L236-I336 HydrophobicContact CD2-CB 4.43Å; L236-I336 HydrophobicContact CD2-CG2 4.22Å; L236-I336 HydrophobicContact CG-CG2 4.44Å; L236-F337 HydrophobicContact CD2-CB 3.64Å; L236-F337 HydrophobicContact CD2-CD2 4.31Å; L236-F337 HydrophobicContact CD2-CG 4.49Å; L236-W340 HydrophobicContact CB-CE3 3.97Å; L236-W340 HydrophobicContact CB-CZ3 4.01Å; L236-M347 PolarHBondContact N-O 3.06Å; L236-V348 HydrophobicContact CB-CB 4.49Å; L236-V348 HydrophobicContact CB-CG2 4.3Å; L236-V348 HydrophobicContact CD2-CG2 4.23Å; L236-V348 HydrophobicContact CG-CG2 4.26Å; L236-V348 CarbonylContact O-C 3.56Å; L236-V348 VanDerWaalsContact O-CA 3.31Å; L236-V348 WeakPolarHBondContact O-CA 3.35Å; L236-V349 PolarHBondContact O-N 2.82Å
237I95.9Very high91.7Very high0 Ų026.9 Ų26.90%015%0.153CC..EExtended strand (participates in β ladder)trans-121.592.6175.6-46.1179.5000108.2F221 I225 V235 V239 L248 L252 V320 V321 F322 A323 V349 P351F221-I237 HydrophobicContact CE2-CD1 4.26Å; F221-I237 HydrophobicContact CZ-CD1 3.92Å; I225-I237 HydrophobicContact CD1-CD1 3.75Å; V235-I237 HydrophobicContact CG1-CD1 4.42Å; V235-I237 HydrophobicContact CG1-CG1 3.98Å; I237-V239 HydrophobicContact CG2-CG1 3.95Å; I237-V239 PolarHBondContact O-N 3.18Å; I237-L248 HydrophobicContact CG2-CD1 4.11Å; I237-L252 HydrophobicContact CD1-CD1 4.09Å; I237-V320 HydrophobicContact CD1-CG1 3.76Å; I237-V320 HydrophobicContact CG1-CG1 4.27Å; I237-V321 PolarHBondContact N-O 3.47Å; I237-F322 HydrophobicContact CB-CD1 3.77Å; I237-F322 HydrophobicContact CB-CE1 3.94Å; I237-F322 HydrophobicContact CD1-CD1 4.27Å; I237-F322 HydrophobicContact CD1-CE1 3.7Å; I237-F322 HydrophobicContact CD1-CE2 4.47Å; I237-F322 HydrophobicContact CD1-CZ 3.83Å; I237-F322 HydrophobicContact CG1-CE1 4.4Å; I237-F322 HydrophobicContact CG2-CD1 3.92Å; I237-F322 HydrophobicContact CG2-CE1 3.81Å; I237-F322 WeakPolarHBondContact O-CA 3.33Å; I237-A323 PolarHBondContact O-N 3.24Å; I237-A323 VanDerWaalsContact O-N 3.12Å; I237-V349 HydrophobicContact CG1-CB 4.41Å; I237-P351 HydrophobicContact CG2-CG 4.28Å
238P93.3Very high91.5Very high0 Ų024.2 Ų24.20%013%0.131CC..EExtended strand (participates in β ladder)trans-69.6124.817529.9-33.6000109.8A323 L328 V348 V349 I350 P351P238-A323 CarbonylContact C-O 3.1Å; P238-A323 VanDerWaalsContact CA-O 3.26Å; P238-A323 WeakPolarHBondContact CA-O 3.4Å; P238-L328 HydrophobicContact CB-CD2 3.7Å; P238-L328 HydrophobicContact CB-CG 4.08Å; P238-L328 HydrophobicContact CG-CD1 4.46Å; P238-L328 HydrophobicContact CG-CD2 3.97Å; P238-L328 HydrophobicContact CG-CG 4.06Å; P238-V348 HydrophobicContact CG-CG2 4.22Å; P238-V349 WeakPolarHBondContact CD-O 3.12Å; P238-I350 HydrophobicContact CG-CD1 3.33Å; P238-P351 WeakPolarHBondContact O-CD 3.31Å; P238-P351 WeakPolarHBondContact O-CG 3.46Å
239V90.5Very high91.2Very high3 Ų320.7 Ų20.72%0.01812%0.118CC..  trans-135.3156.7-177.4-71.10000111.2I237 A245 L248 F267 F322 A323 P325 G326 P351I237-V239 HydrophobicContact CG2-CG1 3.95Å; I237-V239 PolarHBondContact O-N 3.18Å; V239-A245 HydrophobicContact CB-CB 4.02Å; V239-A245 HydrophobicContact CG2-CB 3.8Å; V239-L248 HydrophobicContact CG1-CD1 4.08Å; V239-F267 HydrophobicContact CG2-CE1 4.49Å; V239-F267 HydrophobicContact CG2-CZ 3.83Å; V239-F322 HydrophobicContact CG1-CD1 4.01Å; V239-F322 HydrophobicContact CG1-CE1 4.45Å; V239-F322 HydrophobicContact CG2-CB 4.19Å; V239-F322 HydrophobicContact CG2-CD1 4.07Å; V239-A323 PolarHBondContact N-O 3.2Å; V239-P325 CarbonylContact O-C 3.58Å; V239-G326 PolarHBondContact O-N 3.41Å; V239-G326 VanDerWaalsContact O-N 3.15Å; V239-P351 HydrophobicContact CG1-CG 3.87Å
240F83.1Confident91Very high91 Ų9120.8 Ų20.840%0.39912%0.118SC..  trans-73146.1159.4-59.6-69.7000109.2L242 A245 M327F240-L242 PolarHBondContact O-N 3.3Å; F240-A245 VanDerWaalsContact O-CB 3.26Å; F240-A245 WeakPolarHBondContact O-CB 3.44Å; F240-M327 HydrophobicContact CE1-CE 4.4Å; F240-M327 HydrophobicContact CE1-CG 4.48Å; F240-M327 HydrophobicContact CE2-CE 4.48Å; F240-M327 HydrophobicContact CZ-CE 3.6Å; F240-M327 HydrophobicContact CZ-CG 3.87Å; F240-M327 HydrophobicContact CZ-SD 4.48Å
241A76.1Confident90.9Very high9 Ų913.7 Ų13.77%0.0749%0.085CC..THydrogen-bonded Turntrans-64.1-25.2-171.200000114.2Q246 M271 A275 T324A241-Q246 PolarHBondContact O-NE2 2.89Å; A241-M271 HydrophobicContact CB-CB 3.33Å; A241-M271 HydrophobicContact CB-CG 4.39Å; A241-A275 VanDerWaalsContact O-CB 3.26Å; A241-A275 WeakPolarHBondContact O-CB 3.15Å; A241-T324 HydrophobicContact CB-CG2 3.98Å
242L79.8Confident90.8Very high10 Ų1010 Ų105%0.0526%0.055CC..THydrogen-bonded Turntrans-127144.1-174.9-77.6153.7000110.1F69 I99 L103 F240 A275 Y279F69-L242 HydrophobicContact CE2-CB 3.85Å; F69-L242 HydrophobicContact CE2-CD1 4.36Å; F69-L242 HydrophobicContact CZ-CB 3.77Å; F69-L242 HydrophobicContact CZ-CD1 4.42Å; I99-L242 HydrophobicContact CB-CD1 4.45Å; I99-L242 HydrophobicContact CD1-CD1 4.28Å; I99-L242 HydrophobicContact CD1-CD2 4.08Å; I99-L242 HydrophobicContact CG1-CD1 4.3Å; I99-L242 HydrophobicContact CG2-CD1 3.37Å; L103-L242 HydrophobicContact CD2-CD1 4.49Å; F240-L242 PolarHBondContact O-N 3.3Å; L242-A275 HydrophobicContact CD2-CB 3.37Å; L242-A275 HydrophobicContact CG-CB 3.61Å; L242-Y279 HydrophobicContact CD2-CD2 4.36Å; L242-Y279 HydrophobicContact CD2-CE2 3.9Å
243G82.3Confident90.7Very high2 Ų28.9 Ų8.92%0.0214%0.041CC..THydrogen-bonded Turntrans93-105.1-17700000111H186 A245 Q246 Y279H186-G243 PolarHBondContact CE1-O 2.85Å; H186-G243 PolarHBondContact NE2-O 3.36Å; G243-A245 VanDerWaalsContact C-N 3.29Å; G243-A245 PolarHBondContact O-N 2.92Å; G243-Q246 PolarHBondContact O-N 2.64Å; G243-Q246 VanDerWaalsContact O-N 3.16Å; G243-Q246 PolarHBondContact O-OE1 3.38Å; G243-Q246 VanDerWaalsContact O-OE1 3.13Å; G243-Y279 WeakPolarHBondContact CA-OH 3.12Å; G243-Y279 PolarHBondContact N-OH 3.07Å
244R85Confident90.4Very high30 Ų3011.6 Ų11.611%0.1136%0.058CC..Hα-helixtrans-69.2-25.6-166.8-168.35366.3172.33.1114.5D184 Q246 E247 L248 F388 S389D184-R244 IonicContact OD1-CZ 3.54Å; D184-R244 IonicContact OD1-NH1 3.97Å; D184-R244 PolarHBondContact OD1-NH1 2.82Å; D184-R244 IonicContact OD1-NH2 3.58Å; D184-R244 PolarHBondContact OD1-NH2 2.92Å; D184-R244 IonicContact OD2-CZ 3.41Å; D184-R244 VanDerWaalsContact OD2-CZ 3.28Å; D184-R244 IonicContact OD2-NH1 3.03Å; D184-R244 PolarHBondContact OD2-NH1 3.34Å; D184-R244 IonicContact OD2-NH2 3.71Å; D184-R244 PolarHBondContact OD2-NH2 2.89Å; R244-Q246 VanDerWaalsContact C-N 3.26Å; R244-Q246 PolarHBondContact O-N 3.28Å; R244-E247 PolarHBondContact O-N 3.27Å; R244-L248 HydrophobicContact CG-CD1 4.38Å; R244-L248 HydrophobicContact CG-CG 4.35Å; R244-L248 WeakPolarHBondContact O-CG 3.39Å; R244-L248 PolarHBondContact O-N 3.47Å; R244-L248 VanDerWaalsContact O-N 3.16Å; R244-F388 WeakPolarHBondContact CD-O 3.28Å; R244-F388 HydrophobicContact CG-CB 4.04Å; R244-F388 VanDerWaalsContact CG-O 3.26Å; R244-F388 WeakPolarHBondContact CG-O 3.48Å; R244-F388 PolarHBondContact NE-O 3.17Å; R244-S389 PolarHBondContact NH2-O 3.01Å
245A88.7Confident90.3Very high0 Ų012.3 Ų12.30%06%0.06CC..Hα-helixtrans-54.1-45.9172.400000111.4V239 F240 G243 E247 L248 C249 F267V239-A245 HydrophobicContact CB-CB 4.02Å; V239-A245 HydrophobicContact CG2-CB 3.8Å; F240-A245 VanDerWaalsContact O-CB 3.26Å; F240-A245 WeakPolarHBondContact O-CB 3.44Å; G243-A245 VanDerWaalsContact C-N 3.29Å; G243-A245 PolarHBondContact O-N 2.92Å; A245-E247 PolarHBondContact O-N 2.89Å; A245-L248 PolarHBondContact O-N 2.8Å; A245-C249 WeakPolarHBondContact O-CB 3.45Å; A245-C249 PolarHBondContact O-N 3.09Å; A245-C249 PolarHBondContact O-SG 3.22Å; A245-F267 HydrophobicContact CB-CE2 4.01Å; A245-F267 HydrophobicContact CB-CZ 3.85Å
246Q89.9Confident90.1Very high1 Ų112.3 Ų12.31%0.0056%0.06CC..Hα-helixtrans-66.9-38.2-177.7-73.173.822.500112.4A241 G243 R244 L248 C249 I250 Y279 F300A241-Q246 PolarHBondContact O-NE2 2.89Å; G243-Q246 PolarHBondContact O-N 2.64Å; G243-Q246 VanDerWaalsContact O-N 3.16Å; G243-Q246 PolarHBondContact O-OE1 3.38Å; G243-Q246 VanDerWaalsContact O-OE1 3.13Å; R244-Q246 VanDerWaalsContact C-N 3.26Å; R244-Q246 PolarHBondContact O-N 3.28Å; Q246-L248 PolarHBondContact O-N 3.12Å; Q246-C249 PolarHBondContact O-N 3.24Å; Q246-I250 WeakPolarHBondContact O-CB 3.24Å; Q246-I250 WeakPolarHBondContact O-CD1 3.41Å; Q246-I250 VanDerWaalsContact O-CG1 3.24Å; Q246-I250 WeakPolarHBondContact O-CG1 3.05Å; Q246-I250 PolarHBondContact O-N 2.95Å; Q246-Y279 HydrophobicContact CB-CE2 4.18Å; Q246-Y279 HydrophobicContact CG-CD2 3.67Å; Q246-Y279 HydrophobicContact CG-CE2 3.44Å; Q246-Y279 VanDerWaalsContact CG-CE2 3.44Å; Q246-Y279 HydrophobicContact CG-CG 4.43Å; Q246-F300 HydrophobicContact CB-CE1 4.17Å; Q246-F300 HydrophobicContact CG-CD1 4.33Å; Q246-F300 HydrophobicContact CG-CE1 4.22Å
247E91.1Very high89.9Confident1 Ų115.9 Ų15.91%0.0058%0.077CC..Hα-helixtrans-57.2-50.4171.9-177.477.4166.700111.3R185 H186 K214 R244 A245 I250 L251R185-E247 WeakPolarHBondContact CA-OE2 3.37Å; R185-E247 WeakPolarHBondContact CB-OE2 3.11Å; R185-E247 WeakPolarHBondContact CG-OE1 3.44Å; R185-E247 VanDerWaalsContact N-CD 3.31Å; R185-E247 PolarHBondContact N-OE1 2.82Å; R185-E247 VanDerWaalsContact N-OE1 3.12Å; R185-E247 PolarHBondContact N-OE2 2.82Å; H186-E247 IonicContact CD2-OE2 3.78Å; H186-E247 PolarHBondContact CD2-OE2 3.27Å; H186-E247 VanDerWaalsContact CD2-OE2 3.27Å; H186-E247 IonicContact NE2-OE2 3.33Å; K214-E247 WeakPolarHBondContact CE-OE1 3.39Å; K214-E247 IonicContact NZ-OE1 2.76Å; K214-E247 PolarHBondContact NZ-OE1 2.87Å; R244-E247 PolarHBondContact O-N 3.27Å; A245-E247 PolarHBondContact O-N 2.89Å; E247-I250 PolarHBondContact O-N 2.78Å; E247-L251 WeakPolarHBondContact O-CB 3.47Å; E247-L251 PolarHBondContact O-N 2.92Å
248L93.1Very high89.9Confident0 Ų026 Ų260%012%0.115CC..Hα-helixtrans-69-36.5-175.7-63.2179.9000111.6F221 I237 V239 R244 A245 Q246 L251 L252 F322 P351 F388F221-L248 HydrophobicContact CE1-CD2 4.11Å; F221-L248 HydrophobicContact CE2-CD1 4.41Å; F221-L248 HydrophobicContact CE2-CD2 3.99Å; F221-L248 HydrophobicContact CZ-CB 4.28Å; F221-L248 HydrophobicContact CZ-CD1 4.36Å; F221-L248 HydrophobicContact CZ-CD2 3.76Å; F221-L248 HydrophobicContact CZ-CG 4.35Å; I237-L248 HydrophobicContact CG2-CD1 4.11Å; V239-L248 HydrophobicContact CG1-CD1 4.08Å; R244-L248 HydrophobicContact CG-CD1 4.38Å; R244-L248 HydrophobicContact CG-CG 4.35Å; R244-L248 WeakPolarHBondContact O-CG 3.39Å; R244-L248 PolarHBondContact O-N 3.47Å; R244-L248 VanDerWaalsContact O-N 3.16Å; A245-L248 PolarHBondContact O-N 2.8Å; Q246-L248 PolarHBondContact O-N 3.12Å; L248-L251 PolarHBondContact O-N 2.94Å; L248-L252 PolarHBondContact O-N 3.46Å; L248-F322 HydrophobicContact CB-CE1 3.64Å; L248-F322 HydrophobicContact CB-CZ 3.88Å; L248-F322 HydrophobicContact CD1-CE1 4.2Å; L248-P351 HydrophobicContact CD1-CB 3.66Å; L248-P351 HydrophobicContact CD1-CG 4.06Å; L248-F388 HydrophobicContact CD2-CB 4.25Å; L248-F388 HydrophobicContact CD2-CD1 3.68Å; L248-F388 HydrophobicContact CD2-CD2 3.96Å; L248-F388 HydrophobicContact CD2-CE1 3.93Å; L248-F388 HydrophobicContact CD2-CE2 4.22Å; L248-F388 HydrophobicContact CD2-CG 3.7Å; L248-F388 HydrophobicContact CD2-CZ 4.2Å
249C92.7Very high89.9Confident1 Ų130.4 Ų30.41%0.00714%0.137CC..Hα-helixtrans-62.6-47.7173.3-710000111.6A245 Q246 L251 L252 E253 F267 F302 I305A245-C249 WeakPolarHBondContact O-CB 3.45Å; A245-C249 PolarHBondContact O-N 3.09Å; A245-C249 PolarHBondContact O-SG 3.22Å; Q246-C249 PolarHBondContact O-N 3.24Å; C249-L251 VanDerWaalsContact C-N 3.29Å; C249-L251 PolarHBondContact O-N 2.82Å; C249-L252 PolarHBondContact O-N 3.02Å; C249-E253 WeakPolarHBondContact O-CB 3.4Å; C249-E253 PolarHBondContact O-N 2.97Å; C249-F267 VanDerWaalsContact SG-CE2 3.58Å; C249-F302 HydrophobicContact CB-CE1 3.79Å; C249-F302 HydrophobicContact CB-CE2 3.84Å; C249-F302 HydrophobicContact CB-CZ 3.41Å; C249-F302 VanDerWaalsContact CB-CZ 3.41Å; C249-I305 HydrophobicContact CB-CD1 3.54Å
250I91.9Very high90.1Very high4 Ų437.1 Ų37.12%0.02117%0.172CC..Hα-helixtrans-60.9-41.2176.3-68165.8000110.6R185 H186 Q246 E247 T254 M299 F300 F302R185-I250 HydrophobicContact CB-CG2 4.18Å; H186-I250 HydrophobicContact CB-CD1 3.99Å; Q246-I250 WeakPolarHBondContact O-CB 3.24Å; Q246-I250 WeakPolarHBondContact O-CD1 3.41Å; Q246-I250 VanDerWaalsContact O-CG1 3.24Å; Q246-I250 WeakPolarHBondContact O-CG1 3.05Å; Q246-I250 PolarHBondContact O-N 2.95Å; E247-I250 PolarHBondContact O-N 2.78Å; I250-T254 HydrophobicContact CG2-CG2 4.5Å; I250-T254 WeakPolarHBondContact O-CB 3.22Å; I250-T254 VanDerWaalsContact O-CG2 3.31Å; I250-T254 WeakPolarHBondContact O-CG2 3.42Å; I250-T254 PolarHBondContact O-N 3.19Å; I250-T254 VanDerWaalsContact O-N 3.1Å; I250-T254 PolarHBondContact O-OG1 2.73Å; I250-M299 HydrophobicContact CG2-CE 3.54Å; I250-F300 HydrophobicContact CD1-CE1 4.04Å; I250-F302 HydrophobicContact CG1-CE1 3.97Å; I250-F302 HydrophobicContact CG1-CZ 4.27Å
251L93.5Very high90.6Very high3 Ų333.5 Ų33.52%0.01616%0.157CC..Hα-helixtrans-62.9-50.2178.9-178.463.5000111.8E218 F221 L222 E247 L248 C249 T254 Y255 F388E218-L251 HydrophobicContact CB-CD1 4.13Å; E218-L251 HydrophobicContact CB-CD2 4.17Å; E218-L251 HydrophobicContact CG-CD1 3.98Å; E218-L251 HydrophobicContact CG-CD2 3.89Å; F221-L251 HydrophobicContact CD1-CD2 3.6Å; F221-L251 HydrophobicContact CD1-CG 4.44Å; F221-L251 HydrophobicContact CE1-CD2 3.96Å; F221-L251 HydrophobicContact CG-CD2 4.46Å; L222-L251 HydrophobicContact CD1-CD1 3.94Å; L222-L251 HydrophobicContact CD1-CG 4.33Å; L222-L251 HydrophobicContact CD2-CG 4.05Å; L222-L251 HydrophobicContact CG-CD1 4.41Å; L222-L251 HydrophobicContact CG-CG 4.27Å; E247-L251 WeakPolarHBondContact O-CB 3.47Å; E247-L251 PolarHBondContact O-N 2.92Å; L248-L251 PolarHBondContact O-N 2.94Å; C249-L251 VanDerWaalsContact C-N 3.29Å; C249-L251 PolarHBondContact O-N 2.82Å; L251-T254 PolarHBondContact O-OG1 2.9Å; L251-T254 VanDerWaalsContact O-OG1 3.09Å; L251-Y255 WeakPolarHBondContact O-CB 3.16Å; L251-Y255 PolarHBondContact O-N 3.44Å; L251-F388 HydrophobicContact CD2-CE1 4.13Å; L251-F388 HydrophobicContact CD2-CZ 4.25Å
252L94.4Very high91.4Very high0 Ų038.7 Ų38.70%019%0.193CC..Hα-helixtrans-67.3-44.6178.4-70.9-178.4000112.1F221 L222 I225 I237 L248 C249 T254 Y255 W256 I265 V320 F322F221-L252 HydrophobicContact CD1-CD2 4.35Å; F221-L252 HydrophobicContact CE1-CD1 4.34Å; F221-L252 HydrophobicContact CE1-CD2 3.62Å; F221-L252 HydrophobicContact CE1-CG 3.8Å; F221-L252 HydrophobicContact CZ-CD1 4.39Å; F221-L252 HydrophobicContact CZ-CD2 4.35Å; F221-L252 HydrophobicContact CZ-CG 4.31Å; L222-L252 HydrophobicContact CD2-CD2 3.82Å; I225-L252 HydrophobicContact CD1-CD1 4.41Å; I225-L252 HydrophobicContact CD1-CD2 3.96Å; I225-L252 HydrophobicContact CG2-CD2 4.38Å; I237-L252 HydrophobicContact CD1-CD1 4.09Å; L248-L252 PolarHBondContact O-N 3.46Å; C249-L252 PolarHBondContact O-N 3.02Å; L252-T254 VanDerWaalsContact C-N 3.33Å; L252-T254 PolarHBondContact O-N 2.87Å; L252-Y255 PolarHBondContact O-N 3.5Å; L252-Y255 VanDerWaalsContact O-N 3.14Å; L252-W256 HydrophobicContact CB-CE3 4.24Å; L252-W256 HydrophobicContact CB-CZ3 4.4Å; L252-W256 HydrophobicContact CD2-CE3 4.11Å; L252-W256 HydrophobicContact CD2-CH2 4.07Å; L252-W256 HydrophobicContact CD2-CZ3 3.45Å; L252-W256 VanDerWaalsContact CD2-CZ3 3.45Å; L252-W256 HydrophobicContact CG-CZ3 4.43Å; L252-W256 WeakPolarHBondContact O-CB 3.47Å; L252-W256 VanDerWaalsContact O-CE3 3.3Å; L252-W256 PolarHBondContact O-N 3.42Å; L252-I265 HydrophobicContact CB-CD1 3.95Å; L252-I265 HydrophobicContact CD1-CD1 4.45Å; L252-V320 HydrophobicContact CD1-CG1 4.05Å; L252-F322 HydrophobicContact CD1-CE2 3.62Å; L252-F322 HydrophobicContact CD1-CZ 3.45Å; L252-F322 VanDerWaalsContact CD1-CZ 3.45Å; L252-F322 HydrophobicContact CG-CZ 4.36Å
253E92.2Very high92.1Very high6 Ų639.4 Ų39.43%0.02820%0.198CC..Hα-helixtrans-55.2-49.1179176.174-172.300111.1C249 Y255 W256 E257 R297 F302 K303 H304C249-E253 WeakPolarHBondContact O-CB 3.4Å; C249-E253 PolarHBondContact O-N 2.97Å; E253-Y255 VanDerWaalsContact C-N 3.31Å; E253-Y255 PolarHBondContact O-N 3.28Å; E253-W256 PolarHBondContact O-N 3.32Å; E253-E257 WeakPolarHBondContact O-CB 3.38Å; E253-E257 PolarHBondContact O-N 2.95Å; E253-R297 IonicContact OE1-NH2 2.76Å; E253-F302 HydrophobicContact CB-CD1 3.9Å; E253-F302 HydrophobicContact CB-CE1 4.45Å; E253-F302 HydrophobicContact CG-CD1 3.91Å; E253-K303 WeakPolarHBondContact OE1-CA 3.28Å; E253-K303 VanDerWaalsContact OE1-CB 3.3Å; E253-K303 WeakPolarHBondContact OE1-CB 3.47Å; E253-K303 PolarHBondContact OE1-N 3.03Å; E253-K303 PolarHBondContact OE2-N 2.84Å; E253-H304 IonicContact OE1-CD2 2.79Å; E253-H304 PolarHBondContact OE1-N 3.02Å; E253-H304 WeakPolarHBondContact OE2-CB 3.19Å; E253-H304 IonicContact OE2-CD2 3.55Å; E253-H304 IonicContact OE2-CG 3.6Å; E253-H304 PolarHBondContact OE2-N 3.29Å
254T91.9Very high92.7Very high56 Ų5641.4 Ų41.434%0.34421%0.21SC..Hα-helixtrans-67.4-32.1-179.754.30000112.8I250 L251 L252 R258I250-T254 HydrophobicContact CG2-CG2 4.5Å; I250-T254 WeakPolarHBondContact O-CB 3.22Å; I250-T254 VanDerWaalsContact O-CG2 3.31Å; I250-T254 WeakPolarHBondContact O-CG2 3.42Å; I250-T254 PolarHBondContact O-N 3.19Å; I250-T254 VanDerWaalsContact O-N 3.1Å; I250-T254 PolarHBondContact O-OG1 2.73Å; L251-T254 PolarHBondContact O-OG1 2.9Å; L251-T254 VanDerWaalsContact O-OG1 3.09Å; L252-T254 VanDerWaalsContact C-N 3.33Å; L252-T254 PolarHBondContact O-N 2.87Å; T254-R258 WeakPolarHBondContact O-CB 3.13Å; T254-R258 PolarHBondContact O-N 2.82Å
255Y95.2Very high93.2Very high41 Ų4140 Ų4016%0.16121%0.205CC..Hα-helixtrans-73.2-42.7174.7-174.4-100.4000112.3L222 H226 L251 L252 E253 E257 R258 M259 I261L222-Y255 HydrophobicContact CB-CD2 4.23Å; L222-Y255 HydrophobicContact CB-CE1 4.48Å; L222-Y255 HydrophobicContact CB-CE2 4.16Å; L222-Y255 HydrophobicContact CB-CG 4.39Å; L222-Y255 HydrophobicContact CD1-CD2 3.61Å; L222-Y255 HydrophobicContact CD1-CE2 4.19Å; L222-Y255 HydrophobicContact CD1-CG 3.99Å; L222-Y255 HydrophobicContact CD2-CD1 3.91Å; L222-Y255 HydrophobicContact CD2-CD2 4.09Å; L222-Y255 HydrophobicContact CD2-CG 3.58Å; L222-Y255 HydrophobicContact CG-CD2 4.18Å; L222-Y255 HydrophobicContact CG-CG 4.18Å; H226-Y255 HydrophobicContact CB-CE1 4.05Å; H226-Y255 AromaticContact ND1-CE1 3.63Å; H226-Y255 AromaticContact ND1-CZ 3.72Å; H226-Y255 PolarHBondContact ND1-OH 3.05Å; L251-Y255 WeakPolarHBondContact O-CB 3.16Å; L251-Y255 PolarHBondContact O-N 3.44Å; L252-Y255 PolarHBondContact O-N 3.5Å; L252-Y255 VanDerWaalsContact O-N 3.14Å; E253-Y255 VanDerWaalsContact C-N 3.31Å; E253-Y255 PolarHBondContact O-N 3.28Å; Y255-E257 PolarHBondContact O-N 2.94Å; Y255-R258 PolarHBondContact O-N 2.89Å; Y255-M259 HydrophobicContact CD1-CG 4.14Å; Y255-M259 HydrophobicContact CD2-CG 4.03Å; Y255-M259 HydrophobicContact CE1-CB 4.44Å; Y255-M259 HydrophobicContact CE1-CG 3.8Å; Y255-M259 HydrophobicContact CE2-CG 3.69Å; Y255-M259 HydrophobicContact CE2-SD 4.36Å; Y255-M259 HydrophobicContact CG-CG 4.27Å; Y255-M259 WeakPolarHBondContact O-CB 3.32Å; Y255-M259 WeakPolarHBondContact O-CG 3.36Å; Y255-M259 PolarHBondContact O-N 2.99Å; Y255-I261 HydrophobicContact CD1-CD1 3.94Å; Y255-I261 HydrophobicContact CE1-CD1 3.69Å
256W95Very high93.4Very high0 Ų041.9 Ų41.90%021%0.213CC..Hα-helixtrans-60.3-45.1176.8-101.6-119.7000111.5I225 V229 L252 E253 N260 I261 V263 I265 H304 V320I225-W256 HydrophobicContact CG2-CH2 3.77Å; V229-W256 HydrophobicContact CG2-CZ2 4.46Å; L252-W256 HydrophobicContact CB-CE3 4.24Å; L252-W256 HydrophobicContact CB-CZ3 4.4Å; L252-W256 HydrophobicContact CD2-CE3 4.11Å; L252-W256 HydrophobicContact CD2-CH2 4.07Å; L252-W256 HydrophobicContact CD2-CZ3 3.45Å; L252-W256 VanDerWaalsContact CD2-CZ3 3.45Å; L252-W256 HydrophobicContact CG-CZ3 4.43Å; L252-W256 WeakPolarHBondContact O-CB 3.47Å; L252-W256 VanDerWaalsContact O-CE3 3.3Å; L252-W256 PolarHBondContact O-N 3.42Å; E253-W256 PolarHBondContact O-N 3.32Å; W256-N260 WeakPolarHBondContact O-CA 3.3Å; W256-N260 PolarHBondContact O-N 3.25Å; W256-I261 HydrophobicContact CD2-CB 4.19Å; W256-I261 HydrophobicContact CD2-CD1 4.17Å; W256-I261 HydrophobicContact CD2-CG2 4.28Å; W256-I261 HydrophobicContact CE3-CD1 4.17Å; W256-I261 HydrophobicContact CG-CB 4.01Å; W256-I261 HydrophobicContact CG-CG2 4.4Å; W256-I261 HydrophobicContact CZ2-CG2 4.11Å; W256-I261 HydrophobicContact CZ3-CD1 4.35Å; W256-I261 PolarHBondContact O-N 3.21Å; W256-I261 VanDerWaalsContact O-N 3.15Å; W256-V263 PolarHBondContact NE1-O 3.5Å; W256-I265 HydrophobicContact CD2-CD1 3.67Å; W256-I265 HydrophobicContact CD2-CG1 4.38Å; W256-I265 HydrophobicContact CE3-CD1 4.22Å; W256-I265 HydrophobicContact CG-CD1 3.84Å; W256-I265 HydrophobicContact CZ2-CD1 4.23Å; W256-I265 HydrophobicContact CZ2-CG1 4.22Å; W256-H304 HydrophobicContact CB-CB 4.38Å; W256-V320 HydrophobicContact CH2-CG2 4.28Å; W256-V320 HydrophobicContact CZ2-CG2 4.01Å
257E92.6Very high93.4Very high76 Ų7642.6 Ų42.636%0.35522%0.216SC..Hα-helixtrans-63.8-40.8176.9-172.4166.5-153.800111E253 Y255 R297 K303E253-E257 WeakPolarHBondContact O-CB 3.38Å; E253-E257 PolarHBondContact O-N 2.95Å; Y255-E257 PolarHBondContact O-N 2.94Å; E257-R297 IonicContact OE1-CZ 3.56Å; E257-R297 IonicContact OE1-NH1 3.98Å; E257-R297 PolarHBondContact OE1-NH1 2.93Å; E257-R297 VanDerWaalsContact OE1-NH1 3.14Å; E257-R297 IonicContact OE1-NH2 3.66Å; E257-R297 IonicContact OE2-CZ 3.86Å; E257-R297 IonicContact OE2-NH1 3.55Å; E257-R297 PolarHBondContact OE2-NH1 2.89Å; E257-R297 IonicContact OE2-NH2 3Å; E257-R297 PolarHBondContact OE2-NH2 3.23Å; E257-K303 IonicContact OE1-NZ 3.25Å; E257-K303 PolarHBondContact OE1-NZ 2.8Å
258R94.9Very high93Very high213 Ų21342.7 Ų42.780%0.80422%0.216SC*.Hα-helixtrans-70.6-39.6179.9-179.5179174.3-172.5-2113.6T254 Y255T254-R258 WeakPolarHBondContact O-CB 3.13Å; T254-R258 PolarHBondContact O-N 2.82Å; Y255-R258 PolarHBondContact O-N 2.89Å
259M95.2Very high92.1Very high91 Ų9147.9 Ų47.945%0.44824%0.242SC..Hα-helixtrans-91.6-2.3-176.9-64.2-59.2-65.500112.9Y255 I261Y255-M259 HydrophobicContact CD1-CG 4.14Å; Y255-M259 HydrophobicContact CD2-CG 4.03Å; Y255-M259 HydrophobicContact CE1-CB 4.44Å; Y255-M259 HydrophobicContact CE1-CG 3.8Å; Y255-M259 HydrophobicContact CE2-CG 3.69Å; Y255-M259 HydrophobicContact CE2-SD 4.36Å; Y255-M259 HydrophobicContact CG-CG 4.27Å; Y255-M259 WeakPolarHBondContact O-CB 3.32Å; Y255-M259 WeakPolarHBondContact O-CG 3.36Å; Y255-M259 PolarHBondContact O-N 2.99Å; M259-I261 VanDerWaalsContact C-N 3.29Å; M259-I261 HydrophobicContact CB-CD1 3.73Å; M259-I261 HydrophobicContact CB-CG1 3.71Å; M259-I261 HydrophobicContact CG-CD1 4.46Å; M259-I261 PolarHBondContact O-N 3.47Å
260N93.5Very high91.1Very high144 Ų14449.6 Ų49.677%0.7726%0.26SS*.THydrogen-bonded Turntrans53.643.1-176.6-164.844.9000113.1W256W256-N260 WeakPolarHBondContact O-CA 3.3Å; W256-N260 PolarHBondContact O-N 3.25Å
261I94.1Very high89.9Confident16 Ų1650.8 Ų50.88%0.08227%0.266CS..  trans-81.1126.9-178.9-60.9167.1000109.3Y255 W256 M259 V263Y255-I261 HydrophobicContact CD1-CD1 3.94Å; Y255-I261 HydrophobicContact CE1-CD1 3.69Å; W256-I261 HydrophobicContact CD2-CB 4.19Å; W256-I261 HydrophobicContact CD2-CD1 4.17Å; W256-I261 HydrophobicContact CD2-CG2 4.28Å; W256-I261 HydrophobicContact CE3-CD1 4.17Å; W256-I261 HydrophobicContact CG-CB 4.01Å; W256-I261 HydrophobicContact CG-CG2 4.4Å; W256-I261 HydrophobicContact CZ2-CG2 4.11Å; W256-I261 HydrophobicContact CZ3-CD1 4.35Å; W256-I261 PolarHBondContact O-N 3.21Å; W256-I261 VanDerWaalsContact O-N 3.15Å; M259-I261 VanDerWaalsContact C-N 3.29Å; M259-I261 HydrophobicContact CB-CD1 3.73Å; M259-I261 HydrophobicContact CB-CG1 3.71Å; M259-I261 HydrophobicContact CG-CD1 4.46Å; M259-I261 PolarHBondContact O-N 3.47Å; I261-V263 HydrophobicContact CG2-CB 3.92Å; I261-V263 HydrophobicContact CG2-CG2 3.99Å
262S93.1Very high88.8Confident118 Ų11850.8 Ų50.883%0.82527%0.266SS*.  trans-91.6-10.1-178.759.50000114.4
263V94.9Very high87.8Confident24 Ų2455.1 Ų55.115%0.14529%0.286CS..SBendtrans-59.1128.7179.41780000109.9V229 W256 I261 P318V229-V263 HydrophobicContact CB-CG1 4.02Å; V229-V263 HydrophobicContact CB-CG2 4.24Å; V229-V263 HydrophobicContact CG1-CG1 4.13Å; V229-V263 HydrophobicContact CG2-CG1 4.48Å; V229-V263 HydrophobicContact CG2-CG2 4.23Å; W256-V263 PolarHBondContact NE1-O 3.5Å; I261-V263 HydrophobicContact CG2-CB 3.92Å; I261-V263 HydrophobicContact CG2-CG2 3.99Å; V263-P318 HydrophobicContact CG1-CB 4.03Å; V263-P318 HydrophobicContact CG1-CG 4.26Å; V263-P318 HydrophobicContact CG2-CB 4.48Å; V263-P318 HydrophobicContact CG2-CG 4.1Å
264P93.5Very high87.2Confident45 Ų4560.4 Ų60.429%0.29231%0.31SS..  trans-70.8138.1-176.229.7-36000111.7Y266 M319 V320P264-Y266 HydrophobicContact CB-CD2 4.39Å; P264-Y266 HydrophobicContact CB-CE1 4.46Å; P264-Y266 HydrophobicContact CB-CE2 3.59Å; P264-Y266 HydrophobicContact CG-CE2 3.75Å; P264-M319 HydrophobicContact CG-CB 4.18Å; P264-M319 WeakPolarHBondContact O-CA 3.34Å; P264-V320 PolarHBondContact O-N 2.62Å; P264-V320 VanDerWaalsContact O-N 3.07Å
265I95.2Very high86.7Confident0 Ų057.8 Ų57.80%029%0.294CS..EExtended strand (participates in β ladder)trans-105.7131.4166.9-52.7171.6000107.3L252 W256 I305 K306 V320 F322L252-I265 HydrophobicContact CB-CD1 3.95Å; L252-I265 HydrophobicContact CD1-CD1 4.45Å; W256-I265 HydrophobicContact CD2-CD1 3.67Å; W256-I265 HydrophobicContact CD2-CG1 4.38Å; W256-I265 HydrophobicContact CE3-CD1 4.22Å; W256-I265 HydrophobicContact CG-CD1 3.84Å; W256-I265 HydrophobicContact CZ2-CD1 4.23Å; W256-I265 HydrophobicContact CZ2-CG1 4.22Å; I265-I305 HydrophobicContact CB-CB 4.47Å; I265-I305 HydrophobicContact CB-CG1 4Å; I265-I305 HydrophobicContact CD1-CG1 4.18Å; I265-I305 HydrophobicContact CG2-CB 4.33Å; I265-I305 HydrophobicContact CG2-CD1 4.32Å; I265-I305 HydrophobicContact CG2-CG1 3.82Å; I265-I305 HydrophobicContact CG2-CG2 4.08Å; I265-I305 WeakPolarHBondContact O-CA 3.07Å; I265-K306 PolarHBondContact O-N 3.39Å; I265-V320 CarbonylContact C-O 3.54Å; I265-V320 WeakPolarHBondContact CA-O 3.36Å; I265-V320 HydrophobicContact CG1-CB 4.22Å; I265-V320 HydrophobicContact CG2-CB 4.2Å; I265-V320 HydrophobicContact CG2-CG1 4.37Å; I265-F322 HydrophobicContact CG2-CD2 4.04Å; I265-F322 HydrophobicContact CG2-CE2 3.92Å
266Y93.7Very high86.1Confident40 Ų4057.1 Ų57.116%0.15729%0.292CS..EExtended strand (participates in β ladder)trans-118.2152.7173.7-54.8-82000112.1P264 K306 L308 T312 M319 V320 V321 F322P264-Y266 HydrophobicContact CB-CD2 4.39Å; P264-Y266 HydrophobicContact CB-CE1 4.46Å; P264-Y266 HydrophobicContact CB-CE2 3.59Å; P264-Y266 HydrophobicContact CG-CE2 3.75Å; Y266-K306 CarbonylContact C-O 3.31Å; Y266-K306 WeakPolarHBondContact CA-O 3.45Å; Y266-K306 HydrophobicContact CD1-CB 4.11Å; Y266-K306 HydrophobicContact CE1-CB 4.33Å; Y266-L308 HydrophobicContact CD1-CD1 4.4Å; Y266-L308 HydrophobicContact CD2-CD1 4.14Å; Y266-L308 HydrophobicContact CG-CD1 3.84Å; Y266-T312 HydrophobicContact CD1-CG2 4.32Å; Y266-T312 HydrophobicContact CD2-CG2 4.2Å; Y266-T312 HydrophobicContact CE1-CG2 3.85Å; Y266-T312 HydrophobicContact CE2-CG2 3.71Å; Y266-T312 HydrophobicContact CG-CG2 4.48Å; Y266-M319 HydrophobicContact CD2-CB 4.3Å; Y266-M319 HydrophobicContact CE2-CB 4.16Å; Y266-M319 HydrophobicContact CE2-SD 4.46Å; Y266-V320 PolarHBondContact N-O 2.75Å; Y266-V321 HydrophobicContact CD2-CG2 4.19Å; Y266-V321 WeakPolarHBondContact O-CA 3.4Å; Y266-F322 PolarHBondContact O-N 2.89Å
267F89.3Confident85.7Confident16 Ų1662.1 Ų62.17%0.0732%0.316CS..EExtended strand (participates in β ladder)trans-117.5129.1167-148.2-58.7000109V239 A245 C249 M269 A272 I305 K306 L308 F322V239-F267 HydrophobicContact CG2-CE1 4.49Å; V239-F267 HydrophobicContact CG2-CZ 3.83Å; A245-F267 HydrophobicContact CB-CE2 4.01Å; A245-F267 HydrophobicContact CB-CZ 3.85Å; C249-F267 VanDerWaalsContact SG-CE2 3.58Å; F267-M269 PolarHBondContact O-N 3.44Å; F267-A272 HydrophobicContact CD1-CB 3.17Å; F267-A272 HydrophobicContact CD2-CB 4.23Å; F267-A272 HydrophobicContact CE1-CB 2.93Å; F267-A272 HydrophobicContact CE2-CB 3.98Å; F267-A272 HydrophobicContact CG-CB 3.87Å; F267-A272 HydrophobicContact CZ-CB 3.35Å; F267-I305 HydrophobicContact CB-CG2 4.11Å; F267-K306 PolarHBondContact N-O 2.99Å; F267-L308 WeakPolarHBondContact O-CB 3.32Å; F267-L308 PolarHBondContact O-N 2.85Å; F267-F322 HydrophobicContact CD1-CB 4.15Å; F267-F322 HydrophobicContact CD2-CB 3.57Å; F267-F322 HydrophobicContact CD2-CD2 4.17Å; F267-F322 HydrophobicContact CD2-CG 4.05Å; F267-F322 HydrophobicContact CE1-CB 4.06Å; F267-F322 HydrophobicContact CE2-CB 3.55Å; F267-F322 HydrophobicContact CE2-CD2 4.45Å; F267-F322 AromaticContact CE2-CG 3.96Å; F267-F322 HydrophobicContact CE2-CG 3.96Å; F267-F322 HydrophobicContact CG-CB 3.89Å; F267-F322 HydrophobicContact CZ-CB 3.81Å
268S83.5Confident85.6Confident3 Ų361.2 Ų61.22%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-54.1128.117567.50000111.2F322S268-F322 PolarHBondContact N-O 3.41Å
269M73.6Confident85.3Confident108 Ų10851 Ų5153%0.53227%0.271SS..THydrogen-bonded Turntrans-54.8149.8177-75.1-179.2170.600112.3F267 P307 L308F267-M269 PolarHBondContact O-N 3.44Å; M269-P307 HydrophobicContact CE-CB 3.76Å; M269-P307 HydrophobicContact CG-CB 4.2Å; M269-L308 WeakPolarHBondContact CG-O 3.34Å
270G71.2Confident84.9Confident38 Ų3848.9 Ų48.939%0.39226%0.259SS..THydrogen-bonded Turntrans121.7-116.4176.500000112.9A272G270-A272 VanDerWaalsContact C-N 3.3Å; G270-A272 PolarHBondContact O-N 2.82Å
271M68.1Low84.8Confident29 Ų2947.8 Ų47.814%0.14325%0.253CS..Hα-helixtrans-65.5-26.4-168.2-67.1-79.978.400114.7I102 D106 A241 K274 A275I102-M271 HydrophobicContact CG2-CE 3.25Å; I102-M271 HydrophobicContact CG2-SD 3.41Å; I102-M271 WeakPolarHBondContact CG2-SD 3.39Å; D106-M271 HydrophobicContact CB-SD 4.12Å; A241-M271 HydrophobicContact CB-CB 3.33Å; A241-M271 HydrophobicContact CB-CG 4.39Å; M271-K274 HydrophobicContact CE-CD 3.83Å; M271-A275 VanDerWaalsContact O-CB 3.32Å; M271-A275 WeakPolarHBondContact O-CB 3.15Å; M271-A275 PolarHBondContact O-N 2.78Å
272A69.1Low84.8Confident3 Ų348.4 Ų48.43%0.02526%0.255CS..Hα-helixtrans-79.9-32.5-173.900000115F267 G270 K274 A275 N276F267-A272 HydrophobicContact CD1-CB 3.17Å; F267-A272 HydrophobicContact CD2-CB 4.23Å; F267-A272 HydrophobicContact CE1-CB 2.93Å; F267-A272 HydrophobicContact CE2-CB 3.98Å; F267-A272 HydrophobicContact CG-CB 3.87Å; F267-A272 HydrophobicContact CZ-CB 3.35Å; G270-A272 VanDerWaalsContact C-N 3.3Å; G270-A272 PolarHBondContact O-N 2.82Å; A272-K274 VanDerWaalsContact C-N 3.34Å; A272-A275 VanDerWaalsContact O-CB 3.31Å; A272-A275 WeakPolarHBondContact O-CB 3.32Å; A272-A275 PolarHBondContact O-N 3.47Å; A272-N276 PolarHBondContact O-N 3.48Å
273E74.6Confident84.7Confident90 Ų9044.2 Ų44.242%0.42122%0.223SC..Hα-helixtrans-62.4-47.6170.7-71.8175-175.200109.7A275 N276 E277 P307E273-A275 VanDerWaalsContact C-N 3.25Å; E273-A275 PolarHBondContact O-N 3.16Å; E273-N276 PolarHBondContact O-N 3.08Å; E273-E277 PolarHBondContact O-N 3.12Å; E273-P307 VanDerWaalsContact OE1-CB 3.3Å; E273-P307 WeakPolarHBondContact OE1-CB 3.35Å; E273-P307 VanDerWaalsContact OE1-CG 3.3Å; E273-P307 WeakPolarHBondContact OE1-CG 3.42Å
274K80Confident84.6Confident118 Ų11846.6 Ų46.651%0.51324%0.241SC..Hα-helixtrans-58.6-39.9172.8-66.3-172.6-180-176.40111.4M271 A272 N276 E277 Y278M271-K274 HydrophobicContact CE-CD 3.83Å; A272-K274 VanDerWaalsContact C-N 3.34Å; K274-N276 PolarHBondContact O-N 3.49Å; K274-E277 PolarHBondContact O-N 2.74Å; K274-Y278 HydrophobicContact CB-CE2 4.38Å; K274-Y278 WeakPolarHBondContact O-CD2 3.28Å; K274-Y278 PolarHBondContact O-N 3.06Å
275A81Confident84.5Confident1 Ų145.4 Ų45.41%0.00823%0.231CC..Hα-helixtrans-58.5-46.3177.600000112A241 L242 M271 A272 E273 E277 Y278 Y279A241-A275 VanDerWaalsContact O-CB 3.26Å; A241-A275 WeakPolarHBondContact O-CB 3.15Å; L242-A275 HydrophobicContact CD2-CB 3.37Å; L242-A275 HydrophobicContact CG-CB 3.61Å; M271-A275 VanDerWaalsContact O-CB 3.32Å; M271-A275 WeakPolarHBondContact O-CB 3.15Å; M271-A275 PolarHBondContact O-N 2.78Å; A272-A275 VanDerWaalsContact O-CB 3.31Å; A272-A275 WeakPolarHBondContact O-CB 3.32Å; A272-A275 PolarHBondContact O-N 3.47Å; E273-A275 VanDerWaalsContact C-N 3.25Å; E273-A275 PolarHBondContact O-N 3.16Å; A275-E277 VanDerWaalsContact C-N 3.29Å; A275-E277 PolarHBondContact O-N 3.09Å; A275-Y278 PolarHBondContact O-N 3.02Å; A275-Y278 VanDerWaalsContact O-N 3.11Å; A275-Y279 VanDerWaalsContact O-CD2 3.26Å; A275-Y279 WeakPolarHBondContact O-CD2 3.37Å; A275-Y279 PolarHBondContact O-N 3.44Å
276N82.8Confident84.4Confident26 Ų2645.7 Ų45.714%0.13923%0.232CC..Hα-helixtrans-60.3-40.1177.2-67.9-12.8000111.5A272 E273 K274 Y278 Y279 K280 F300A272-N276 PolarHBondContact O-N 3.48Å; E273-N276 PolarHBondContact O-N 3.08Å; K274-N276 PolarHBondContact O-N 3.49Å; N276-Y278 PolarHBondContact O-N 2.97Å; N276-Y279 PolarHBondContact O-N 3.05Å; N276-K280 WeakPolarHBondContact O-CG 3.33Å; N276-K280 PolarHBondContact O-N 2.89Å; N276-F300 HydrophobicContact CB-CB 4.47Å
277E86.8Confident84.4Confident105 Ų10545 Ų4549%0.49123%0.231SC..Hα-helixtrans-62.6-38.8174.3-64.9-54.6128.600112.5E273 K274 A275 K280 L281E273-E277 PolarHBondContact O-N 3.12Å; K274-E277 PolarHBondContact O-N 2.74Å; A275-E277 VanDerWaalsContact C-N 3.29Å; A275-E277 PolarHBondContact O-N 3.09Å; E277-K280 WeakPolarHBondContact O-CB 3.26Å; E277-K280 PolarHBondContact O-N 3.32Å; E277-K280 WeakPolarHBondContact OE1-CE 3.4Å; E277-K280 IonicContact OE1-NZ 3.27Å; E277-K280 PolarHBondContact OE1-NZ 3.33Å; E277-L281 WeakPolarHBondContact O-CB 3.32Å; E277-L281 PolarHBondContact O-N 3.2Å
278Y89.5Confident84.4Confident57 Ų5749.6 Ų49.622%0.22425%0.253CS..Hα-helixtrans-65.4-38.3173.1-75.8-65.4000113.2A98 I99 I102 K274 A275 N276 K280 L281 F282A98-Y278 HydrophobicContact CB-CD1 4.27Å; A98-Y278 HydrophobicContact CB-CE1 3.96Å; I99-Y278 HydrophobicContact CG1-CD1 4.31Å; I99-Y278 HydrophobicContact CG1-CD2 4.35Å; I99-Y278 HydrophobicContact CG1-CG 4.07Å; I102-Y278 HydrophobicContact CD1-CD2 4.13Å; I102-Y278 HydrophobicContact CD1-CE1 4.37Å; I102-Y278 HydrophobicContact CD1-CE2 3.09Å; I102-Y278 WeakPolarHBondContact CD1-OH 3.38Å; K274-Y278 HydrophobicContact CB-CE2 4.38Å; K274-Y278 WeakPolarHBondContact O-CD2 3.28Å; K274-Y278 PolarHBondContact O-N 3.06Å; A275-Y278 PolarHBondContact O-N 3.02Å; A275-Y278 VanDerWaalsContact O-N 3.11Å; N276-Y278 PolarHBondContact O-N 2.97Å; Y278-K280 VanDerWaalsContact C-N 3.3Å; Y278-K280 PolarHBondContact O-N 3.25Å; Y278-L281 PolarHBondContact O-N 2.85Å; Y278-F282 HydrophobicContact CD1-CD2 4.29Å; Y278-F282 AromaticContact CD1-CE2 3.91Å; Y278-F282 HydrophobicContact CD1-CE2 3.91Å; Y278-F282 WeakPolarHBondContact O-CD2 3.25Å; Y278-F282 PolarHBondContact O-N 3.32Å
279Y88.1Confident84.7Confident0 Ų055.3 Ų55.30%028%0.277CS..Hα-helixtrans-63.5-36.6173.6-86.9-79.8000112.2L159 H186 L242 G243 Q246 A275 N276 F282 I283 T286 F300L159-Y279 HydrophobicContact CB-CE1 3.88Å; L159-Y279 HydrophobicContact CD1-CD1 4.11Å; L159-Y279 HydrophobicContact CD1-CE1 4.01Å; L159-Y279 HydrophobicContact CD2-CD1 3.87Å; L159-Y279 HydrophobicContact CD2-CD2 4.34Å; L159-Y279 HydrophobicContact CD2-CE1 3.98Å; L159-Y279 HydrophobicContact CD2-CE2 4.44Å; L159-Y279 HydrophobicContact CD2-CG 4.05Å; L159-Y279 HydrophobicContact CG-CD1 4.42Å; L159-Y279 HydrophobicContact CG-CE1 4.19Å; H186-Y279 PolarHBondContact CE1-OH 2.81Å; H186-Y279 AromaticContact ND1-CE1 3.39Å; H186-Y279 WeakPolarHBondContact ND1-CE1 3.1Å; H186-Y279 AromaticContact ND1-CZ 3.78Å; L242-Y279 HydrophobicContact CD2-CD2 4.36Å; L242-Y279 HydrophobicContact CD2-CE2 3.9Å; G243-Y279 WeakPolarHBondContact CA-OH 3.12Å; G243-Y279 PolarHBondContact N-OH 3.07Å; Q246-Y279 HydrophobicContact CB-CE2 4.18Å; Q246-Y279 HydrophobicContact CG-CD2 3.67Å; Q246-Y279 HydrophobicContact CG-CE2 3.44Å; Q246-Y279 VanDerWaalsContact CG-CE2 3.44Å; Q246-Y279 HydrophobicContact CG-CG 4.43Å; A275-Y279 VanDerWaalsContact O-CD2 3.26Å; A275-Y279 WeakPolarHBondContact O-CD2 3.37Å; A275-Y279 PolarHBondContact O-N 3.44Å; N276-Y279 PolarHBondContact O-N 3.05Å; Y279-F282 CarbonylContact O-C 3.51Å; Y279-I283 WeakPolarHBondContact O-CA 3.37Å; Y279-I283 PolarHBondContact O-N 3.15Å; Y279-I283 VanDerWaalsContact O-N 3.16Å; Y279-T286 HydrophobicContact CD1-CG2 4.33Å; Y279-F300 AromaticContact CD1-CE1 3.81Å; Y279-F300 HydrophobicContact CD1-CE1 3.81Å; Y279-F300 HydrophobicContact CD1-CE2 4.26Å; Y279-F300 AromaticContact CD1-CZ 3.54Å; Y279-F300 HydrophobicContact CD1-CZ 3.54Å; Y279-F300 HydrophobicContact CD2-CE1 4.47Å; Y279-F300 HydrophobicContact CE1-CE1 4.5Å; Y279-F300 HydrophobicContact CE1-CZ 4.4Å; Y279-F300 HydrophobicContact CG-CD1 4.31Å; Y279-F300 AromaticContact CG-CE1 3.81Å; Y279-F300 HydrophobicContact CG-CE1 3.81Å; Y279-F300 HydrophobicContact CG-CE2 4.35Å; Y279-F300 AromaticContact CG-CZ 3.84Å; Y279-F300 HydrophobicContact CG-CZ 3.84Å
280K88.4Confident85.5Confident46 Ų4650.2 Ų50.220%0.225%0.252CS..Hα-helixtrans-65.9-46.4172.9-65.5174.2-164.9-179.40111.4N276 E277 Y278 F282 I283 N298 D301N276-K280 WeakPolarHBondContact O-CG 3.33Å; N276-K280 PolarHBondContact O-N 2.89Å; E277-K280 WeakPolarHBondContact O-CB 3.26Å; E277-K280 PolarHBondContact O-N 3.32Å; E277-K280 WeakPolarHBondContact OE1-CE 3.4Å; E277-K280 IonicContact OE1-NZ 3.27Å; E277-K280 PolarHBondContact OE1-NZ 3.33Å; Y278-K280 VanDerWaalsContact C-N 3.3Å; Y278-K280 PolarHBondContact O-N 3.25Å; K280-F282 PolarHBondContact O-N 3.41Å; K280-I283 PolarHBondContact O-N 2.7Å; K280-N298 WeakPolarHBondContact CD-ND2 3.34Å; K280-N298 WeakPolarHBondContact CE-ND2 3.21Å; K280-N298 WeakPolarHBondContact CG-ND2 3.5Å; K280-D301 WeakPolarHBondContact CE-OD1 3.45Å; K280-D301 IonicContact NZ-OD1 3.54Å; K280-D301 PolarHBondContact NZ-OD1 2.79Å
281L91.3Very high86.4Confident120 Ų12052 Ų5263%0.62825%0.25SC*.Hα-helixtrans-63.9-40.8-179.6-176.663.7000112.4E277 Y278E277-L281 WeakPolarHBondContact O-CB 3.32Å; E277-L281 PolarHBondContact O-N 3.2Å; Y278-L281 PolarHBondContact O-N 2.85Å
282F92.7Very high87.4Confident29 Ų2956.3 Ų56.313%0.12727%0.269CS..THydrogen-bonded Turntrans-104.135-179-61.9-68000112.7H94 P95 A98 L159 Y278 Y279 K280 S284 W285H94-F282 HydrophobicContact CB-CE1 4.08Å; P95-F282 HydrophobicContact CB-CB 4.37Å; P95-F282 HydrophobicContact CB-CD1 4.31Å; P95-F282 HydrophobicContact CB-CD2 3.92Å; P95-F282 HydrophobicContact CB-CE2 4.25Å; P95-F282 HydrophobicContact CB-CG 3.94Å; P95-F282 HydrophobicContact CG-CB 4.09Å; P95-F282 HydrophobicContact CG-CD1 3.83Å; P95-F282 HydrophobicContact CG-CD2 4.31Å; P95-F282 HydrophobicContact CG-CE1 4.32Å; P95-F282 HydrophobicContact CG-CG 3.82Å; A98-F282 HydrophobicContact CB-CE2 3.55Å; A98-F282 HydrophobicContact CB-CZ 3.67Å; L159-F282 HydrophobicContact CD1-CB 4.34Å; L159-F282 HydrophobicContact CD2-CB 4.12Å; L159-F282 HydrophobicContact CG-CB 4.42Å; Y278-F282 HydrophobicContact CD1-CD2 4.29Å; Y278-F282 AromaticContact CD1-CE2 3.91Å; Y278-F282 HydrophobicContact CD1-CE2 3.91Å; Y278-F282 WeakPolarHBondContact O-CD2 3.25Å; Y278-F282 PolarHBondContact O-N 3.32Å; Y279-F282 CarbonylContact O-C 3.51Å; K280-F282 PolarHBondContact O-N 3.41Å; F282-S284 PolarHBondContact O-N 3.19Å; F282-S284 VanDerWaalsContact O-N 3.09Å; F282-W285 WeakPolarHBondContact O-CB 3.22Å; F282-W285 PolarHBondContact O-N 2.83Å
283I91.7Very high88.2Confident30 Ų3058.3 Ų58.315%0.15428%0.281CS..G310 helixtrans-55.8-29177.9-159.970.8000112.4Y279 K280 W285 T286 I290 K291 F294 F300Y279-I283 WeakPolarHBondContact O-CA 3.37Å; Y279-I283 PolarHBondContact O-N 3.15Å; Y279-I283 VanDerWaalsContact O-N 3.16Å; K280-I283 PolarHBondContact O-N 2.7Å; I283-W285 PolarHBondContact O-N 3.49Å; I283-W285 VanDerWaalsContact O-N 3.12Å; I283-T286 HydrophobicContact CD1-CG2 4.31Å; I283-T286 PolarHBondContact O-N 3.44Å; I283-T286 VanDerWaalsContact O-N 3.17Å; I283-T286 PolarHBondContact O-OG1 2.82Å; I283-I290 HydrophobicContact CD1-CG2 3.38Å; I283-I290 HydrophobicContact CG1-CG2 4.3Å; I283-K291 WeakPolarHBondContact O-CG 3.49Å; I283-F294 HydrophobicContact CD1-CB 4.39Å; I283-F294 HydrophobicContact CD1-CD2 3.68Å; I283-F294 HydrophobicContact CD1-CE2 4.18Å; I283-F294 HydrophobicContact CD1-CG 4.13Å; I283-F294 HydrophobicContact CG1-CB 4.16Å; I283-F294 HydrophobicContact CG1-CD1 4.36Å; I283-F294 HydrophobicContact CG1-CD2 3.89Å; I283-F294 HydrophobicContact CG1-CE2 4.37Å; I283-F294 HydrophobicContact CG1-CG 3.88Å; I283-F300 HydrophobicContact CD1-CD2 4.48Å; I283-F300 HydrophobicContact CD1-CE2 3.93Å
284S91.7Very high88.6Confident75 Ų7557.7 Ų57.752%0.52428%0.277SS..G310 helixtrans-64.4-14.7175.758.10000114F282 K291F282-S284 PolarHBondContact O-N 3.19Å; F282-S284 VanDerWaalsContact O-N 3.09Å; S284-K291 WeakPolarHBondContact O-CE 3.35Å; S284-K291 PolarHBondContact O-NZ 3.04Å
285W93Very high88.5Confident20 Ų2058.2 Ų58.28%0.07629%0.29CS..G310 helixtrans-98.5-1.3178.6-67.474.3000113.8T93 H94 P95 Y137 I138 Y154 L159 F282 I283T93-W285 HydrophobicContact CG2-CH2 3.79Å; T93-W285 HydrophobicContact CG2-CZ3 3.73Å; H94-W285 HydrophobicContact CB-CZ2 4.34Å; P95-W285 HydrophobicContact CG-CB 4.31Å; P95-W285 HydrophobicContact CG-CD2 3.53Å; P95-W285 HydrophobicContact CG-CE3 3.92Å; P95-W285 HydrophobicContact CG-CG 3.68Å; P95-W285 HydrophobicContact CG-CZ2 4.37Å; P95-W285 HydrophobicContact CG-CZ3 4.42Å; Y137-W285 HydrophobicContact CD1-CZ2 4.17Å; I138-W285 HydrophobicContact CD1-CE3 4.22Å; I138-W285 HydrophobicContact CD1-CH2 4.04Å; I138-W285 HydrophobicContact CD1-CZ3 3.43Å; I138-W285 VanDerWaalsContact CD1-CZ3 3.43Å; I138-W285 HydrophobicContact CG1-CE3 3.79Å; I138-W285 HydrophobicContact CG1-CH2 3.72Å; I138-W285 HydrophobicContact CG1-CZ3 3.26Å; Y154-W285 WeakPolarHBondContact CE2-O 3.32Å; Y154-W285 PolarHBondContact OH-O 3.39Å; L159-W285 HydrophobicContact CD1-CB 3.85Å; F282-W285 WeakPolarHBondContact O-CB 3.22Å; F282-W285 PolarHBondContact O-N 2.83Å; I283-W285 PolarHBondContact O-N 3.49Å; I283-W285 VanDerWaalsContact O-N 3.12Å
286T93Very high88.4Confident5 Ų567.6 Ų67.63%0.03133%0.331CS..SBendtrans-81.1-179.7173.2660000111.3L159 H186 Y279 I283 I290 K291L159-T286 HydrophobicContact CD1-CG2 4.39Å; H186-T286 WeakPolarHBondContact O-CA 3.47Å; H186-T286 WeakPolarHBondContact O-CB 3.32Å; Y279-T286 HydrophobicContact CD1-CG2 4.33Å; I283-T286 HydrophobicContact CD1-CG2 4.31Å; I283-T286 PolarHBondContact O-N 3.44Å; I283-T286 VanDerWaalsContact O-N 3.17Å; I283-T286 PolarHBondContact O-OG1 2.82Å; T286-I290 HydrophobicContact CG2-CG2 4.11Å; T286-I290 WeakPolarHBondContact OG1-CB 3.36Å; T286-I290 WeakPolarHBondContact OG1-CG2 3.41Å; T286-K291 WeakPolarHBondContact O-CE 3.39Å; T286-K291 PolarHBondContact O-NZ 2.97Å
287N92.1Very high88.3Confident25 Ų2570.6 Ų70.613%0.13434%0.34CS..  trans-69.9167.2170.167.237.3000112.3D184 R185 H186 L187 K289 I290 K291D184-N287 PolarHBondContact O-ND2 2.89Å; D184-N287 VanDerWaalsContact O-ND2 3.13Å; R185-N287 VanDerWaalsContact C-ND2 3.29Å; R185-N287 PolarHBondContact O-ND2 3.05Å; H186-N287 PolarHBondContact O-N 2.76Å; H186-N287 VanDerWaalsContact O-N 3.1Å; L187-N287 PolarHBondContact O-ND2 3.38Å; N287-K289 VanDerWaalsContact C-N 3.3Å; N287-K289 PolarHBondContact O-N 3.35Å; N287-K289 WeakPolarHBondContact OD1-CB 3.31Å; N287-K289 PolarHBondContact OD1-N 3.18Å; N287-I290 PolarHBondContact O-N 3.46Å; N287-I290 WeakPolarHBondContact OD1-CG1 3.48Å; N287-I290 PolarHBondContact OD1-N 2.85Å; N287-K291 WeakPolarHBondContact O-CG 3.26Å; N287-K291 PolarHBondContact O-N 2.96Å
288Q91.2Very high88.1Confident113 Ų11366.5 Ų66.553%0.52832%0.322SS..Hα-helixtrans-60.4-37.7-178.5-174.160.617.800112.9I290 K291 E292Q288-I290 PolarHBondContact O-N 2.84Å; Q288-K291 PolarHBondContact O-N 3.44Å; Q288-E292 HydrophobicContact CG-CG 4.41Å; Q288-E292 VanDerWaalsContact CG-OE1 3.27Å; Q288-E292 WeakPolarHBondContact CG-OE1 3.41Å; Q288-E292 PolarHBondContact NE2-OE1 2.97Å; Q288-E292 WeakPolarHBondContact O-CG 3.45Å; Q288-E292 PolarHBondContact O-N 3.14Å
289K89.5Confident87.8Confident123 Ų12365.6 Ų65.654%0.53532%0.32SS..Hα-helixtrans-60.7-44.7179.9-179179.4178.51780112.4N287 T293N287-K289 VanDerWaalsContact C-N 3.3Å; N287-K289 PolarHBondContact O-N 3.35Å; N287-K289 WeakPolarHBondContact OD1-CB 3.31Å; N287-K289 PolarHBondContact OD1-N 3.18Å; K289-T293 WeakPolarHBondContact O-CB 3.18Å; K289-T293 PolarHBondContact O-N 3.32Å; K289-T293 PolarHBondContact O-OG1 3.15Å
290I89.6Confident87.5Confident2 Ų265.7 Ų65.71%0.0132%0.32CS..Hα-helixtrans-63.5-45.6176-66-51.8000110.5R185 H186 I283 T286 N287 Q288 E292 T293 F294 M299 F300R185-I290 WeakPolarHBondContact O-CD1 3.41Å; R185-I290 WeakPolarHBondContact O-CG1 3.25Å; H186-I290 HydrophobicContact CB-CG1 4.33Å; I283-I290 HydrophobicContact CD1-CG2 3.38Å; I283-I290 HydrophobicContact CG1-CG2 4.3Å; T286-I290 HydrophobicContact CG2-CG2 4.11Å; T286-I290 WeakPolarHBondContact OG1-CB 3.36Å; T286-I290 WeakPolarHBondContact OG1-CG2 3.41Å; N287-I290 PolarHBondContact O-N 3.46Å; N287-I290 WeakPolarHBondContact OD1-CG1 3.48Å; N287-I290 PolarHBondContact OD1-N 2.85Å; Q288-I290 PolarHBondContact O-N 2.84Å; I290-E292 VanDerWaalsContact C-N 3.33Å; I290-E292 PolarHBondContact O-N 2.85Å; I290-T293 PolarHBondContact O-N 3.45Å; I290-F294 WeakPolarHBondContact O-CB 3.3Å; I290-F294 PolarHBondContact O-N 3.47Å; I290-M299 HydrophobicContact CD1-CB 4.05Å; I290-M299 HydrophobicContact CD1-CE 3.88Å; I290-M299 HydrophobicContact CD1-CG 4.11Å; I290-M299 HydrophobicContact CD1-SD 3.26Å; I290-M299 WeakPolarHBondContact CD1-SD 3.41Å; I290-F300 HydrophobicContact CG2-CE2 3.98Å; I290-F300 HydrophobicContact CG2-CZ 4.43Å
291K89.4Confident87.4Confident76 Ų7667.3 Ų67.333%0.3333%0.331SS..Hα-helixtrans-58.1-44.1-179.5-65.4177.6-155.5-177.60112.1I283 S284 T286 N287 Q288I283-K291 WeakPolarHBondContact O-CG 3.49Å; S284-K291 WeakPolarHBondContact O-CE 3.35Å; S284-K291 PolarHBondContact O-NZ 3.04Å; T286-K291 WeakPolarHBondContact O-CE 3.39Å; T286-K291 PolarHBondContact O-NZ 2.97Å; N287-K291 WeakPolarHBondContact O-CG 3.26Å; N287-K291 PolarHBondContact O-N 2.96Å; Q288-K291 PolarHBondContact O-N 3.44Å
292E89.1Confident87.1Confident118 Ų11863.1 Ų63.155%0.55131%0.308SS*.Hα-helixtrans-69.4-39.6178.7-71.1171-177.800112.5Q288 I290 F294Q288-E292 HydrophobicContact CG-CG 4.41Å; Q288-E292 VanDerWaalsContact CG-OE1 3.27Å; Q288-E292 WeakPolarHBondContact CG-OE1 3.41Å; Q288-E292 PolarHBondContact NE2-OE1 2.97Å; Q288-E292 WeakPolarHBondContact O-CG 3.45Å; Q288-E292 PolarHBondContact O-N 3.14Å; I290-E292 VanDerWaalsContact C-N 3.33Å; I290-E292 PolarHBondContact O-N 2.85Å; E292-F294 VanDerWaalsContact C-N 3.35Å
293T86.3Confident86.8Confident46 Ų4667.4 Ų67.428%0.28233%0.326SS..Hα-helixtrans-72.6-31.7-178.5-51.50000111.4K289 I290 V295 K296 R297 M299K289-T293 WeakPolarHBondContact O-CB 3.18Å; K289-T293 PolarHBondContact O-N 3.32Å; K289-T293 PolarHBondContact O-OG1 3.15Å; I290-T293 PolarHBondContact O-N 3.45Å; T293-V295 PolarHBondContact O-N 3.2Å; T293-V295 VanDerWaalsContact O-N 3.13Å; T293-K296 PolarHBondContact O-N 3.13Å; T293-R297 CarbonylContact C-O 3.52Å; T293-R297 CarbonylContact O-C 3.56Å; T293-R297 PolarHBondContact O-N 3.28Å; T293-M299 HydrophobicContact CG2-CG 3.94Å; T293-M299 HydrophobicContact CG2-SD 4.04Å
294F82.7Confident86.6Confident76 Ų7668.6 Ų68.633%0.33333%0.331SS..Hα-helixtrans-53.7-35.1-177.3-172.9-100.4000113.5I283 I290 E292 K296 N298I283-F294 HydrophobicContact CD1-CB 4.39Å; I283-F294 HydrophobicContact CD1-CD2 3.68Å; I283-F294 HydrophobicContact CD1-CE2 4.18Å; I283-F294 HydrophobicContact CD1-CG 4.13Å; I283-F294 HydrophobicContact CG1-CB 4.16Å; I283-F294 HydrophobicContact CG1-CD1 4.36Å; I283-F294 HydrophobicContact CG1-CD2 3.89Å; I283-F294 HydrophobicContact CG1-CE2 4.37Å; I283-F294 HydrophobicContact CG1-CG 3.88Å; I290-F294 WeakPolarHBondContact O-CB 3.3Å; I290-F294 PolarHBondContact O-N 3.47Å; E292-F294 VanDerWaalsContact C-N 3.35Å; F294-K296 PolarHBondContact O-N 3.38Å; F294-N298 HydrophobicContact CD2-CB 4.13Å; F294-N298 HydrophobicContact CE2-CB 4.09Å
295V78.4Confident86.6Confident129 Ų12965.8 Ų65.878%0.78231%0.31SS*.THydrogen-bonded Turntrans-62.4-30.9177.1-177.90000112.4T293T293-V295 PolarHBondContact O-N 3.2Å; T293-V295 VanDerWaalsContact O-N 3.13Å
296K79Confident86.4Confident199 Ų19970.7 Ų70.787%0.86533%0.332SS*.THydrogen-bonded Turntrans-98.4-44.9-178.3-64-178.7179.6178.40112.6T293 F294T293-K296 PolarHBondContact O-N 3.13Å; F294-K296 PolarHBondContact O-N 3.38Å
297R81.2Confident86.2Confident89 Ų8973.8 Ų73.834%0.33635%0.352SS..  trans-153.1124.4-178.7178.5177.9174.5-176.6-3.6108.5E253 E257 T293 M299E253-R297 IonicContact OE1-NH2 2.76Å; E257-R297 IonicContact OE1-CZ 3.56Å; E257-R297 IonicContact OE1-NH1 3.98Å; E257-R297 PolarHBondContact OE1-NH1 2.93Å; E257-R297 VanDerWaalsContact OE1-NH1 3.14Å; E257-R297 IonicContact OE1-NH2 3.66Å; E257-R297 IonicContact OE2-CZ 3.86Å; E257-R297 IonicContact OE2-NH1 3.55Å; E257-R297 PolarHBondContact OE2-NH1 2.89Å; E257-R297 IonicContact OE2-NH2 3Å; E257-R297 PolarHBondContact OE2-NH2 3.23Å; T293-R297 CarbonylContact C-O 3.52Å; T293-R297 CarbonylContact O-C 3.56Å; T293-R297 PolarHBondContact O-N 3.28Å; R297-M299 PolarHBondContact O-N 2.68Å
298N82.6Confident86Confident19 Ų1973.2 Ų73.210%0.10235%0.349CS..  trans-68.3119.2170.5-175.8-1.7000110.1K280 F294 F300 D301K280-N298 WeakPolarHBondContact CD-ND2 3.34Å; K280-N298 WeakPolarHBondContact CE-ND2 3.21Å; K280-N298 WeakPolarHBondContact CG-ND2 3.5Å; F294-N298 HydrophobicContact CD2-CB 4.13Å; F294-N298 HydrophobicContact CE2-CB 4.09Å; N298-F300 PolarHBondContact O-N 3.1Å; N298-F300 WeakPolarHBondContact OD1-CD2 3.16Å; N298-F300 PolarHBondContact OD1-N 2.62Å; N298-D301 HydrophobicContact CB-CB 4.18Å; N298-D301 VanDerWaalsContact CB-OD2 3.22Å; N298-D301 WeakPolarHBondContact CB-OD2 3.44Å; N298-D301 PolarHBondContact ND2-OD2 3.47Å; N298-D301 PolarHBondContact O-N 2.94Å
299M82.3Confident85.7Confident37 Ų3769 Ų6918%0.18234%0.336CS..THydrogen-bonded Turntrans-72.3-9.9-179-69.3-166.758.200113.7I250 I290 T293 R297 F302I250-M299 HydrophobicContact CG2-CE 3.54Å; I290-M299 HydrophobicContact CD1-CB 4.05Å; I290-M299 HydrophobicContact CD1-CE 3.88Å; I290-M299 HydrophobicContact CD1-CG 4.11Å; I290-M299 HydrophobicContact CD1-SD 3.26Å; I290-M299 WeakPolarHBondContact CD1-SD 3.41Å; T293-M299 HydrophobicContact CG2-CG 3.94Å; T293-M299 HydrophobicContact CG2-SD 4.04Å; R297-M299 PolarHBondContact O-N 2.68Å; M299-F302 VanDerWaalsContact O-CE1 3.31Å; M299-F302 WeakPolarHBondContact O-CE1 3.35Å
300F83.3Confident85.4Confident3 Ų372.7 Ų72.71%0.01336%0.355CS..THydrogen-bonded Turntrans-96.7-3174.7-54.2-73.2000112.9H186 Q246 I250 N276 Y279 I283 I290 N298 F302H186-F300 HydrophobicContact CB-CE1 4.31Å; H186-F300 HydrophobicContact CB-CZ 4.11Å; Q246-F300 HydrophobicContact CB-CE1 4.17Å; Q246-F300 HydrophobicContact CG-CD1 4.33Å; Q246-F300 HydrophobicContact CG-CE1 4.22Å; I250-F300 HydrophobicContact CD1-CE1 4.04Å; N276-F300 HydrophobicContact CB-CB 4.47Å; Y279-F300 AromaticContact CD1-CE1 3.81Å; Y279-F300 HydrophobicContact CD1-CE1 3.81Å; Y279-F300 HydrophobicContact CD1-CE2 4.26Å; Y279-F300 AromaticContact CD1-CZ 3.54Å; Y279-F300 HydrophobicContact CD1-CZ 3.54Å; Y279-F300 HydrophobicContact CD2-CE1 4.47Å; Y279-F300 HydrophobicContact CE1-CE1 4.5Å; Y279-F300 HydrophobicContact CE1-CZ 4.4Å; Y279-F300 HydrophobicContact CG-CD1 4.31Å; Y279-F300 AromaticContact CG-CE1 3.81Å; Y279-F300 HydrophobicContact CG-CE1 3.81Å; Y279-F300 HydrophobicContact CG-CE2 4.35Å; Y279-F300 AromaticContact CG-CZ 3.84Å; Y279-F300 HydrophobicContact CG-CZ 3.84Å; I283-F300 HydrophobicContact CD1-CD2 4.48Å; I283-F300 HydrophobicContact CD1-CE2 3.93Å; I290-F300 HydrophobicContact CG2-CE2 3.98Å; I290-F300 HydrophobicContact CG2-CZ 4.43Å; N298-F300 PolarHBondContact O-N 3.1Å; N298-F300 WeakPolarHBondContact OD1-CD2 3.16Å; N298-F300 PolarHBondContact OD1-N 2.62Å; F300-F302 WeakPolarHBondContact O-CD2 3.06Å; F300-F302 PolarHBondContact O-N 2.89Å
301D84.9Confident85.2Confident80 Ų8074.8 Ų74.843%0.42838%0.377SS..SBendtrans-90.888169.3-68.7-26.9000108.7K280 N298K280-D301 WeakPolarHBondContact CE-OD1 3.45Å; K280-D301 IonicContact NZ-OD1 3.54Å; K280-D301 PolarHBondContact NZ-OD1 2.79Å; N298-D301 HydrophobicContact CB-CB 4.18Å; N298-D301 VanDerWaalsContact CB-OD2 3.22Å; N298-D301 WeakPolarHBondContact CB-OD2 3.44Å; N298-D301 PolarHBondContact ND2-OD2 3.47Å; N298-D301 PolarHBondContact O-N 2.94Å
302F85.9Confident85.2Confident32 Ų3272.1 Ų72.114%0.1437%0.367CS..  trans-77.5129.7-177.8-55.9-63.1000111C249 I250 E253 M299 F300 I305C249-F302 HydrophobicContact CB-CE1 3.79Å; C249-F302 HydrophobicContact CB-CE2 3.84Å; C249-F302 HydrophobicContact CB-CZ 3.41Å; C249-F302 VanDerWaalsContact CB-CZ 3.41Å; I250-F302 HydrophobicContact CG1-CE1 3.97Å; I250-F302 HydrophobicContact CG1-CZ 4.27Å; E253-F302 HydrophobicContact CB-CD1 3.9Å; E253-F302 HydrophobicContact CB-CE1 4.45Å; E253-F302 HydrophobicContact CG-CD1 3.91Å; M299-F302 VanDerWaalsContact O-CE1 3.31Å; M299-F302 WeakPolarHBondContact O-CE1 3.35Å; F300-F302 WeakPolarHBondContact O-CD2 3.06Å; F300-F302 PolarHBondContact O-N 2.89Å; F302-I305 HydrophobicContact CB-CB 3.64Å; F302-I305 HydrophobicContact CB-CD1 4.21Å; F302-I305 HydrophobicContact CB-CG1 3.95Å; F302-I305 HydrophobicContact CD1-CD1 3.98Å; F302-I305 HydrophobicContact CD2-CB 4.35Å; F302-I305 HydrophobicContact CD2-CD1 4.22Å; F302-I305 HydrophobicContact CE1-CD1 4.44Å; F302-I305 HydrophobicContact CG-CB 4.1Å; F302-I305 HydrophobicContact CG-CD1 3.87Å; F302-I305 HydrophobicContact CG-CG1 4.18Å
303K85.4Confident85.4Confident118 Ų11866.9 Ų66.951%0.51334%0.343SS..SBendtrans-82.7-38176.4-59.9176.6-179.1172.10111.5E253 E257E253-K303 WeakPolarHBondContact OE1-CA 3.28Å; E253-K303 VanDerWaalsContact OE1-CB 3.3Å; E253-K303 WeakPolarHBondContact OE1-CB 3.47Å; E253-K303 PolarHBondContact OE1-N 3.03Å; E253-K303 PolarHBondContact OE2-N 2.84Å; E257-K303 IonicContact OE1-NZ 3.25Å; E257-K303 PolarHBondContact OE1-NZ 2.8Å
304H88.9Confident85.7Confident55 Ų5569.1 Ų69.126%0.25535%0.354SS..SBendtrans-95.5-19.5-174.4-60.7-83.1000113.1E253 W256E253-H304 IonicContact OE1-CD2 2.79Å; E253-H304 PolarHBondContact OE1-N 3.02Å; E253-H304 WeakPolarHBondContact OE2-CB 3.19Å; E253-H304 IonicContact OE2-CD2 3.55Å; E253-H304 IonicContact OE2-CG 3.6Å; E253-H304 PolarHBondContact OE2-N 3.29Å; W256-H304 HydrophobicContact CB-CB 4.38Å
305I90.7Very high86.2Confident16 Ų1669.1 Ų69.18%0.08236%0.357CS..EExtended strand (participates in β ladder)trans-94.4116.8179.9-49-177.8000110C249 I265 F267 F302C249-I305 HydrophobicContact CB-CD1 3.54Å; I265-I305 HydrophobicContact CB-CB 4.47Å; I265-I305 HydrophobicContact CB-CG1 4Å; I265-I305 HydrophobicContact CD1-CG1 4.18Å; I265-I305 HydrophobicContact CG2-CB 4.33Å; I265-I305 HydrophobicContact CG2-CD1 4.32Å; I265-I305 HydrophobicContact CG2-CG1 3.82Å; I265-I305 HydrophobicContact CG2-CG2 4.08Å; I265-I305 WeakPolarHBondContact O-CA 3.07Å; F267-I305 HydrophobicContact CB-CG2 4.11Å; F302-I305 HydrophobicContact CB-CB 3.64Å; F302-I305 HydrophobicContact CB-CD1 4.21Å; F302-I305 HydrophobicContact CB-CG1 3.95Å; F302-I305 HydrophobicContact CD1-CD1 3.98Å; F302-I305 HydrophobicContact CD2-CB 4.35Å; F302-I305 HydrophobicContact CD2-CD1 4.22Å; F302-I305 HydrophobicContact CE1-CD1 4.44Å; F302-I305 HydrophobicContact CG-CB 4.1Å; F302-I305 HydrophobicContact CG-CD1 3.87Å; F302-I305 HydrophobicContact CG-CG1 4.18Å
306K89.3Confident86.8Confident124 Ų12469.1 Ų69.154%0.53936%0.36SS..EExtended strand (participates in β ladder)trans-113.7155.5-177.7-62.8-179.9-177.3177.60111.9I265 Y266 F267 L308I265-K306 PolarHBondContact O-N 3.39Å; Y266-K306 CarbonylContact C-O 3.31Å; Y266-K306 WeakPolarHBondContact CA-O 3.45Å; Y266-K306 HydrophobicContact CD1-CB 4.11Å; Y266-K306 HydrophobicContact CE1-CB 4.33Å; F267-K306 PolarHBondContact N-O 2.99Å; K306-L308 PolarHBondContact O-N 3.49Å
307P88.5Confident87.4Confident69 Ų6961.3 Ų61.345%0.44834%0.336SS..EExtended strand (participates in β ladder)trans-57.1136.2167.6-25.435.9000111.6M269 E273 G309M269-P307 HydrophobicContact CE-CB 3.76Å; M269-P307 HydrophobicContact CG-CB 4.2Å; E273-P307 VanDerWaalsContact OE1-CB 3.3Å; E273-P307 WeakPolarHBondContact OE1-CB 3.35Å; E273-P307 VanDerWaalsContact OE1-CG 3.3Å; E273-P307 WeakPolarHBondContact OE1-CG 3.42Å; P307-G309 PolarHBondContact O-N 3.31Å
308L88.7Confident88.2Confident13 Ų1359 Ų597%0.06833%0.332CS..EExtended strand (participates in β ladder)trans-75.3107.9174.3-174.572.3000109.5Y266 F267 M269 K306 T312 V313 V321 I336Y266-L308 HydrophobicContact CD1-CD1 4.4Å; Y266-L308 HydrophobicContact CD2-CD1 4.14Å; Y266-L308 HydrophobicContact CG-CD1 3.84Å; F267-L308 WeakPolarHBondContact O-CB 3.32Å; F267-L308 PolarHBondContact O-N 2.85Å; M269-L308 WeakPolarHBondContact CG-O 3.34Å; K306-L308 PolarHBondContact O-N 3.49Å; L308-T312 HydrophobicContact CD1-CG2 3.87Å; L308-V313 HydrophobicContact CD1-CG2 4.15Å; L308-V313 HydrophobicContact CD2-CG2 3.71Å; L308-V313 HydrophobicContact CG-CG2 4.26Å; L308-V321 HydrophobicContact CD1-CG2 4.26Å; L308-V321 HydrophobicContact CD2-CG1 4.04Å; L308-I336 HydrophobicContact CD2-CD1 4.05Å
309G85.1Confident88.9Confident26 Ų2658.2 Ų58.227%0.26833%0.328SS..  trans-69.7164.6174.700000113.1P307 G311 T312P307-G309 PolarHBondContact O-N 3.31Å; G309-G311 PolarHBondContact O-N 3.05Å; G309-T312 PolarHBondContact N-OG1 3.12Å; G309-T312 WeakPolarHBondContact O-CB 3.46Å; G309-T312 PolarHBondContact O-N 3Å; G309-T312 PolarHBondContact O-OG1 3.2Å
310Q82Confident89.6Confident200 Ų20056.5 Ų56.594%0.93532%0.319SS*.THydrogen-bonded Turntrans-60.8135.4171-70.2-175.9-4.300110.2T312Q310-T312 PolarHBondContact O-N 3.28Å
311G85.4Confident90.2Very high45 Ų4556.3 Ų56.346%0.46432%0.319SS..THydrogen-bonded Turntrans78-14.6-179.900000115.6G309 V313 D314G309-G311 PolarHBondContact O-N 3.05Å; G311-V313 PolarHBondContact O-N 3.49Å; G311-V313 VanDerWaalsContact O-N 3.11Å; G311-D314 PolarHBondContact O-N 2.91Å
312T90.6Very high90.6Very high20 Ų2052.5 Ų52.512%0.12330%0.298CS..G310 helixtrans-59.4-29-178.1-53.30000113.2Y266 L308 G309 Q310 D314 N315Y266-T312 HydrophobicContact CD1-CG2 4.32Å; Y266-T312 HydrophobicContact CD2-CG2 4.2Å; Y266-T312 HydrophobicContact CE1-CG2 3.85Å; Y266-T312 HydrophobicContact CE2-CG2 3.71Å; Y266-T312 HydrophobicContact CG-CG2 4.48Å; L308-T312 HydrophobicContact CD1-CG2 3.87Å; G309-T312 PolarHBondContact N-OG1 3.12Å; G309-T312 WeakPolarHBondContact O-CB 3.46Å; G309-T312 PolarHBondContact O-N 3Å; G309-T312 PolarHBondContact O-OG1 3.2Å; Q310-T312 PolarHBondContact O-N 3.28Å; T312-D314 PolarHBondContact O-N 3.36Å; T312-N315 WeakPolarHBondContact O-CB 3.37Å; T312-N315 PolarHBondContact O-N 3.05Å; T312-N315 VanDerWaalsContact O-N 3.14Å
313V92Very high90.8Very high9 Ų951 Ų516%0.05529%0.292CS..G310 helixtrans-57.9-30.9176.41780000112.5K234 L308 G311 I336 K339 W340K234-V313 PolarHBondContact NZ-O 2.95Å; K234-V313 VanDerWaalsContact NZ-O 3.07Å; L308-V313 HydrophobicContact CD1-CG2 4.15Å; L308-V313 HydrophobicContact CD2-CG2 3.71Å; L308-V313 HydrophobicContact CG-CG2 4.26Å; G311-V313 PolarHBondContact O-N 3.49Å; G311-V313 VanDerWaalsContact O-N 3.11Å; V313-I336 HydrophobicContact CG1-CB 4.44Å; V313-I336 HydrophobicContact CG1-CG1 3.97Å; V313-I336 HydrophobicContact CG1-CG2 4.19Å; V313-I336 HydrophobicContact CG2-CD1 4.28Å; V313-I336 HydrophobicContact CG2-CG1 3.85Å; V313-K339 HydrophobicContact CG1-CD 3.88Å; V313-W340 HydrophobicContact CG1-CZ2 3.94Å; V313-W340 PolarHBondContact O-NE1 3Å; V313-W340 VanDerWaalsContact O-NE1 3.15Å
314D92.9Very high90.9Very high93 Ų9346.7 Ų46.750%0.49728%0.276SS..G310 helixtrans-90.2-8.6-176.4-58.2-50.1000112.7G311 T312 K339G311-D314 PolarHBondContact O-N 2.91Å; T312-D314 PolarHBondContact O-N 3.36Å; D314-K339 WeakPolarHBondContact OD1-CD 3.33Å; D314-K339 WeakPolarHBondContact OD1-CE 3.2Å; D314-K339 IonicContact OD1-NZ 3.74Å; D314-K339 PolarHBondContact OD1-NZ 2.91Å; D314-K339 IonicContact OD2-NZ 2.78Å; D314-K339 PolarHBondContact OD2-NZ 3.37Å
315N92.4Very high90.7Very high76 Ų7645.2 Ų45.241%0.40627%0.271SS..  trans-59.1141.4179.7-72.7-4.2000111.3K234 T312 M319K234-N315 WeakPolarHBondContact CE-O 3.41Å; K234-N315 PolarHBondContact NZ-O 3.02Å; T312-N315 WeakPolarHBondContact O-CB 3.37Å; T312-N315 PolarHBondContact O-N 3.05Å; T312-N315 VanDerWaalsContact O-N 3.14Å; N315-M319 HydrophobicContact CB-CE 4.03Å; N315-M319 WeakPolarHBondContact O-CE 3.22Å
316P90.9Very high90.5Very high128 Ų12844.7 Ų44.783%0.83127%0.269SS*.SBendtrans-68.9158.2173.730.3-34.8000111.1
317G93.5Very high90.4Very high36 Ų3639.8 Ų39.837%0.37125%0.249SC..SBendtrans94.1171.717700000114.8K234K234-G317 WeakPolarHBondContact CE-O 3.24Å
318P96.7Very high90.4Very high39 Ų3936.5 Ų36.525%0.25323%0.227SC..  trans-71145-178.129.5-34.6000111.1V229 G233 V263V229-P318 HydrophobicContact CB-CB 4.07Å; V229-P318 VanDerWaalsContact O-CB 3.3Å; V229-P318 WeakPolarHBondContact O-CB 3.39Å; G233-P318 WeakPolarHBondContact O-CA 3.23Å; G233-P318 WeakPolarHBondContact O-CB 3.45Å; V263-P318 HydrophobicContact CG1-CB 4.03Å; V263-P318 HydrophobicContact CG1-CG 4.26Å; V263-P318 HydrophobicContact CG2-CB 4.48Å; V263-P318 HydrophobicContact CG2-CG 4.1Å
319M97Very high90Very high4 Ų439.4 Ų39.42%0.0224%0.24CC..EExtended strand (participates in β ladder)trans-158.2154.7172.762.8-174.470.800109.9K234 V235 P264 Y266 N315 V321 W340K234-M319 WeakPolarHBondContact CA-O 3.32Å; K234-M319 HydrophobicContact CB-CG 4.27Å; K234-M319 HydrophobicContact CD-CE 4.38Å; K234-M319 HydrophobicContact CD-CG 4.14Å; K234-M319 HydrophobicContact CD-SD 4.3Å; K234-M319 HydrophobicContact CG-CG 4.05Å; V235-M319 PolarHBondContact N-O 3.46Å; P264-M319 HydrophobicContact CG-CB 4.18Å; P264-M319 WeakPolarHBondContact O-CA 3.34Å; Y266-M319 HydrophobicContact CD2-CB 4.3Å; Y266-M319 HydrophobicContact CE2-CB 4.16Å; Y266-M319 HydrophobicContact CE2-SD 4.46Å; N315-M319 HydrophobicContact CB-CE 4.03Å; N315-M319 WeakPolarHBondContact O-CE 3.22Å; M319-V321 HydrophobicContact CG-CG2 4.19Å; M319-V321 HydrophobicContact SD-CG2 4.12Å; M319-W340 HydrophobicContact CG-CH2 3.83Å; M319-W340 HydrophobicContact CG-CZ2 4.15Å; M319-W340 HydrophobicContact SD-CH2 3.84Å; M319-W340 HydrophobicContact SD-CZ2 3.66Å
320V97.1Very high89.7Confident0 Ų039 Ų390%023%0.234CC..EExtended strand (participates in β ladder)trans-109.9131169-175.40000108I225 V229 V235 I237 L252 W256 P264 I265 Y266I225-V320 HydrophobicContact CG2-CG2 3.83Å; V229-V320 HydrophobicContact CG1-CG2 3.74Å; V235-V320 HydrophobicContact CB-CG1 4.29Å; V235-V320 HydrophobicContact CB-CG2 4.23Å; V235-V320 HydrophobicContact CG1-CG1 4.4Å; V235-V320 CarbonylContact O-C 3.58Å; V235-V320 WeakPolarHBondContact O-CA 3.44Å; I237-V320 HydrophobicContact CD1-CG1 3.76Å; I237-V320 HydrophobicContact CG1-CG1 4.27Å; L252-V320 HydrophobicContact CD1-CG1 4.05Å; W256-V320 HydrophobicContact CH2-CG2 4.28Å; W256-V320 HydrophobicContact CZ2-CG2 4.01Å; P264-V320 PolarHBondContact O-N 2.62Å; P264-V320 VanDerWaalsContact O-N 3.07Å; I265-V320 CarbonylContact C-O 3.54Å; I265-V320 WeakPolarHBondContact CA-O 3.36Å; I265-V320 HydrophobicContact CG1-CB 4.22Å; I265-V320 HydrophobicContact CG2-CB 4.2Å; I265-V320 HydrophobicContact CG2-CG1 4.37Å; Y266-V320 PolarHBondContact N-O 2.75Å
321V95.6Very high89.8Confident0 Ų030.6 Ų30.60%020%0.201CC..EExtended strand (participates in β ladder)trans-127.7118179.1-179.30000110.6V235 I237 Y266 L308 M319 A323 I336 W340V235-V321 PolarHBondContact O-N 3.11Å; I237-V321 PolarHBondContact N-O 3.47Å; Y266-V321 HydrophobicContact CD2-CG2 4.19Å; Y266-V321 WeakPolarHBondContact O-CA 3.4Å; L308-V321 HydrophobicContact CD1-CG2 4.26Å; L308-V321 HydrophobicContact CD2-CG1 4.04Å; M319-V321 HydrophobicContact CG-CG2 4.19Å; M319-V321 HydrophobicContact SD-CG2 4.12Å; V321-A323 HydrophobicContact CG1-CB 4.42Å; V321-I336 HydrophobicContact CG1-CD1 3.74Å; V321-W340 HydrophobicContact CB-CH2 3.87Å; V321-W340 HydrophobicContact CB-CZ3 4.24Å; V321-W340 HydrophobicContact CG2-CH2 3.45Å; V321-W340 VanDerWaalsContact CG2-CH2 3.45Å; V321-W340 HydrophobicContact CG2-CZ2 4.29Å; V321-W340 HydrophobicContact CG2-CZ3 4.27Å
322F93.9Very high89.9Confident0 Ų032.7 Ų32.70%020%0.199CC..EExtended strand (participates in β ladder)trans-80.6127.7162.7-68.8-82.8000109.3I237 V239 L248 L252 I265 Y266 F267 S268I237-F322 HydrophobicContact CB-CD1 3.77Å; I237-F322 HydrophobicContact CB-CE1 3.94Å; I237-F322 HydrophobicContact CD1-CD1 4.27Å; I237-F322 HydrophobicContact CD1-CE1 3.7Å; I237-F322 HydrophobicContact CD1-CE2 4.47Å; I237-F322 HydrophobicContact CD1-CZ 3.83Å; I237-F322 HydrophobicContact CG1-CE1 4.4Å; I237-F322 HydrophobicContact CG2-CD1 3.92Å; I237-F322 HydrophobicContact CG2-CE1 3.81Å; I237-F322 WeakPolarHBondContact O-CA 3.33Å; V239-F322 HydrophobicContact CG1-CD1 4.01Å; V239-F322 HydrophobicContact CG1-CE1 4.45Å; V239-F322 HydrophobicContact CG2-CB 4.19Å; V239-F322 HydrophobicContact CG2-CD1 4.07Å; L248-F322 HydrophobicContact CB-CE1 3.64Å; L248-F322 HydrophobicContact CB-CZ 3.88Å; L248-F322 HydrophobicContact CD1-CE1 4.2Å; L252-F322 HydrophobicContact CD1-CE2 3.62Å; L252-F322 HydrophobicContact CD1-CZ 3.45Å; L252-F322 VanDerWaalsContact CD1-CZ 3.45Å; L252-F322 HydrophobicContact CG-CZ 4.36Å; I265-F322 HydrophobicContact CG2-CD2 4.04Å; I265-F322 HydrophobicContact CG2-CE2 3.92Å; Y266-F322 PolarHBondContact O-N 2.89Å; F267-F322 HydrophobicContact CD1-CB 4.15Å; F267-F322 HydrophobicContact CD2-CB 3.57Å; F267-F322 HydrophobicContact CD2-CD2 4.17Å; F267-F322 HydrophobicContact CD2-CG 4.05Å; F267-F322 HydrophobicContact CE1-CB 4.06Å; F267-F322 HydrophobicContact CE2-CB 3.55Å; F267-F322 HydrophobicContact CE2-CD2 4.45Å; F267-F322 AromaticContact CE2-CG 3.96Å; F267-F322 HydrophobicContact CE2-CG 3.96Å; F267-F322 HydrophobicContact CG-CB 3.89Å; F267-F322 HydrophobicContact CZ-CB 3.81Å; S268-F322 PolarHBondContact N-O 3.41Å
323A91.1Very high90Very high0 Ų031.7 Ų31.70%019%0.193CC..EExtended strand (participates in β ladder)trans-138.6149.8-178.200000112.4L236 I237 P238 V239 V321 I336L236-A323 HydrophobicContact CD1-CB 3.83Å; I237-A323 PolarHBondContact O-N 3.24Å; I237-A323 VanDerWaalsContact O-N 3.12Å; P238-A323 CarbonylContact C-O 3.1Å; P238-A323 VanDerWaalsContact CA-O 3.26Å; P238-A323 WeakPolarHBondContact CA-O 3.4Å; V239-A323 PolarHBondContact N-O 3.2Å; V321-A323 HydrophobicContact CG1-CB 4.42Å; A323-I336 HydrophobicContact CB-CD1 3.74Å
324T86.9Confident89.9Confident28 Ų2832.3 Ų32.317%0.17220%0.196CC..SBendtrans-105.9149.9178.357.40000111.3A241 Q332 S333A241-T324 HydrophobicContact CB-CG2 3.98Å; T324-Q332 PolarHBondContact O-N 3.23Å; T324-S333 WeakPolarHBondContact O-CB 3.42Å; T324-S333 PolarHBondContact O-N 3.47Å; T324-S333 PolarHBondContact O-OG 2.89Å
325P85Confident89.9Confident23 Ų2331.9 Ų31.915%0.14919%0.191CC..  cis-84.4168.4-5.135-34.3000113.6V239 M327 H329 A330 S333V239-P325 CarbonylContact O-C 3.58Å; P325-M327 VanDerWaalsContact C-N 3.31Å; P325-M327 PolarHBondContact O-N 3.38Å; P325-H329 WeakPolarHBondContact CG-CE1 3.41Å; P325-A330 WeakPolarHBondContact CD-O 3.14Å; P325-S333 VanDerWaalsContact CD-OG 3.32Å; P325-S333 WeakPolarHBondContact CD-OG 2.89Å; P325-S333 WeakPolarHBondContact O-CB 3.46Å; P325-S333 PolarHBondContact O-OG 3.33Å
326G86.3Confident90Very high5 Ų528.2 Ų28.25%0.05217%0.171CC..THydrogen-bonded Turntrans-65.2-21.7-174.100000116.8V239V239-G326 PolarHBondContact O-N 3.41Å; V239-G326 VanDerWaalsContact O-N 3.15Å
327M87.4Confident90.2Very high22 Ų2222.1 Ų22.111%0.10813%0.132CC..THydrogen-bonded Turntrans-103.710.5-174.2-50.3-177-17400114.4F240 P325 H329 V355 T358 G360F240-M327 HydrophobicContact CE1-CE 4.4Å; F240-M327 HydrophobicContact CE1-CG 4.48Å; F240-M327 HydrophobicContact CE2-CE 4.48Å; F240-M327 HydrophobicContact CZ-CE 3.6Å; F240-M327 HydrophobicContact CZ-CG 3.87Å; F240-M327 HydrophobicContact CZ-SD 4.48Å; P325-M327 VanDerWaalsContact C-N 3.31Å; P325-M327 PolarHBondContact O-N 3.38Å; M327-H329 PolarHBondContact O-N 3.22Å; M327-H329 VanDerWaalsContact O-N 3.08Å; M327-V355 HydrophobicContact CE-CG2 3.83Å; M327-V355 HydrophobicContact SD-CB 4.19Å; M327-V355 HydrophobicContact SD-CG2 4.07Å; M327-T358 HydrophobicContact CB-CG2 3.99Å; M327-T358 HydrophobicContact SD-CG2 3.99Å; M327-G360 PolarHBondContact O-N 2.79Å
328L89Confident90.3Very high0 Ų024.5 Ų24.50%013%0.129CC..SBendtrans55.822.9-179.3-59.3174.3000115.1L236 P238 L334 F337 V348 I350 V359 I363L236-L328 HydrophobicContact CD2-CD2 4.23Å; P238-L328 HydrophobicContact CB-CD2 3.7Å; P238-L328 HydrophobicContact CB-CG 4.08Å; P238-L328 HydrophobicContact CG-CD1 4.46Å; P238-L328 HydrophobicContact CG-CD2 3.97Å; P238-L328 HydrophobicContact CG-CG 4.06Å; L328-L334 WeakPolarHBondContact O-CD1 3.37Å; L328-F337 HydrophobicContact CD1-CD2 3.99Å; L328-F337 HydrophobicContact CD1-CE2 4.36Å; L328-F337 HydrophobicContact CD1-CG 4.17Å; L328-F337 HydrophobicContact CD2-CB 4.05Å; L328-F337 HydrophobicContact CD2-CG 4.47Å; L328-V348 HydrophobicContact CD1-CG2 4.39Å; L328-I350 HydrophobicContact CD1-CD1 4.03Å; L328-V359 HydrophobicContact CB-CB 3.96Å; L328-V359 HydrophobicContact CB-CG1 4.12Å; L328-V359 WeakPolarHBondContact O-CB 3.35Å; L328-V359 WeakPolarHBondContact O-CG2 3.48Å; L328-I363 HydrophobicContact CD1-CD1 3.61Å
329H78.7Confident90.2Very high73 Ų7326.9 Ų26.934%0.33814%0.136SC..SBendtrans-82.2-20.3-176.162.9-98.2000113.7P325 M327 T358P325-H329 WeakPolarHBondContact CG-CE1 3.41Å; M327-H329 PolarHBondContact O-N 3.22Å; M327-H329 VanDerWaalsContact O-N 3.08Å; H329-T358 HydrophobicContact CB-CG2 4.29Å
330A79.6Confident90.2Very high17 Ų1727 Ų2714%0.1414%0.136CC..SBendtrans-161.7-170.2-179.300000110.3P325 L334P325-A330 WeakPolarHBondContact CD-O 3.14Å; A330-L334 VanDerWaalsContact O-CB 3.32Å; A330-L334 WeakPolarHBondContact O-CB 3.37Å; A330-L334 PolarHBondContact O-N 3.46Å
331G83.6Confident90.2Very high24 Ų2427 Ų2725%0.24714%0.136CC..Hα-helixtrans70.7-160.2163.300000115.3H335G331-H335 PolarHBondContact O-N 2.98Å; G331-H335 VanDerWaalsContact O-N 3.11Å
332Q87.9Confident90.2Very high89 Ų8929.9 Ų29.942%0.41616%0.156SC..Hα-helixtrans-70-35.9-174.5-73.8-62.5-29.200112.1T324 L334 H335 I336T324-Q332 PolarHBondContact O-N 3.23Å; Q332-L334 PolarHBondContact O-N 3.17Å; Q332-H335 PolarHBondContact O-N 3.48Å; Q332-I336 WeakPolarHBondContact O-CB 3.27Å; Q332-I336 WeakPolarHBondContact O-CD1 3.34Å; Q332-I336 VanDerWaalsContact O-CG1 3.26Å; Q332-I336 WeakPolarHBondContact O-CG1 3.41Å; Q332-I336 PolarHBondContact O-N 2.99Å
333S91.7Very high90.3Very high0 Ų032.2 Ų32.20%017%0.168CC..Hα-helixtrans-62.9-43.5178.869.20000111.8T324 P325 F337T324-S333 WeakPolarHBondContact O-CB 3.42Å; T324-S333 PolarHBondContact O-N 3.47Å; T324-S333 PolarHBondContact O-OG 2.89Å; P325-S333 VanDerWaalsContact CD-OG 3.32Å; P325-S333 WeakPolarHBondContact CD-OG 2.89Å; P325-S333 WeakPolarHBondContact O-CB 3.46Å; P325-S333 PolarHBondContact O-OG 3.33Å; S333-F337 WeakPolarHBondContact O-CB 3.29Å; S333-F337 PolarHBondContact O-N 2.79Å
334L91.7Very high90.6Very high22 Ų2239 Ų3912%0.11520%0.2CC..Hα-helixtrans-67-40173.7-179.556.7000112L328 A330 Q332 F337 R338 V359 F372L328-L334 WeakPolarHBondContact O-CD1 3.37Å; A330-L334 VanDerWaalsContact O-CB 3.32Å; A330-L334 WeakPolarHBondContact O-CB 3.37Å; A330-L334 PolarHBondContact O-N 3.46Å; Q332-L334 PolarHBondContact O-N 3.17Å; L334-F337 HydrophobicContact CD1-CD1 4.25Å; L334-F337 PolarHBondContact O-N 3.17Å; L334-R338 HydrophobicContact CD1-CG 4.13Å; L334-R338 WeakPolarHBondContact O-CG 3.37Å; L334-R338 PolarHBondContact O-N 3.07Å; L334-V359 HydrophobicContact CD1-CG1 4.41Å; L334-V359 HydrophobicContact CD1-CG2 4.24Å; L334-F372 HydrophobicContact CD1-CE1 3.85Å; L334-F372 HydrophobicContact CD1-CZ 3.86Å; L334-F372 HydrophobicContact CD2-CE1 4.3Å
335H91.7Very high91.1Very high83 Ų8344.6 Ų44.638%0.38422%0.218SC..Hα-helixtrans-59.4-48.5177.2177.873.1000112G331 Q332 R338 K339G331-H335 PolarHBondContact O-N 2.98Å; G331-H335 VanDerWaalsContact O-N 3.11Å; Q332-H335 PolarHBondContact O-N 3.48Å; H335-R338 PolarHBondContact O-N 2.88Å; H335-K339 WeakPolarHBondContact NE2-CE 3.46Å; H335-K339 PolarHBondContact O-N 2.79Å
336I94.5Very high91.7Very high0 Ų043.8 Ų43.80%021%0.213CC..Hα-helixtrans-65.3-43.7177.9-64.3159.9000110.3L236 L308 V313 V321 A323 Q332 R338 K339 W340L236-I336 HydrophobicContact CD1-CB 4.12Å; L236-I336 HydrophobicContact CD1-CD1 4.4Å; L236-I336 HydrophobicContact CD1-CG2 3.81Å; L236-I336 HydrophobicContact CD2-CB 4.43Å; L236-I336 HydrophobicContact CD2-CG2 4.22Å; L236-I336 HydrophobicContact CG-CG2 4.44Å; L308-I336 HydrophobicContact CD2-CD1 4.05Å; V313-I336 HydrophobicContact CG1-CB 4.44Å; V313-I336 HydrophobicContact CG1-CG1 3.97Å; V313-I336 HydrophobicContact CG1-CG2 4.19Å; V313-I336 HydrophobicContact CG2-CD1 4.28Å; V313-I336 HydrophobicContact CG2-CG1 3.85Å; V321-I336 HydrophobicContact CG1-CD1 3.74Å; A323-I336 HydrophobicContact CB-CD1 3.74Å; Q332-I336 WeakPolarHBondContact O-CB 3.27Å; Q332-I336 WeakPolarHBondContact O-CD1 3.34Å; Q332-I336 VanDerWaalsContact O-CG1 3.26Å; Q332-I336 WeakPolarHBondContact O-CG1 3.41Å; Q332-I336 PolarHBondContact O-N 2.99Å; I336-R338 VanDerWaalsContact C-N 3.35Å; I336-R338 PolarHBondContact O-N 3.3Å; I336-K339 PolarHBondContact O-N 3.23Å; I336-K339 VanDerWaalsContact O-N 3.11Å; I336-W340 HydrophobicContact CG2-CD2 3.5Å; I336-W340 VanDerWaalsContact CG2-CD2 3.5Å; I336-W340 HydrophobicContact CG2-CE3 3.49Å; I336-W340 VanDerWaalsContact CG2-CE3 3.49Å; I336-W340 HydrophobicContact CG2-CG 4.22Å; I336-W340 HydrophobicContact CG2-CH2 3.77Å; I336-W340 HydrophobicContact CG2-CZ2 3.75Å; I336-W340 HydrophobicContact CG2-CZ3 3.63Å; I336-W340 PolarHBondContact O-N 3.44Å
337F96Very high92.3Very high0 Ų043.6 Ų43.60%021%0.21CC..Hα-helixtrans-55.8-48.3176.6177.1-99.5000111.7L236 L328 S333 L334 K339 W340 A341 V348 V359 I363 L370 L377 V379 M381L236-F337 HydrophobicContact CD2-CB 3.64Å; L236-F337 HydrophobicContact CD2-CD2 4.31Å; L236-F337 HydrophobicContact CD2-CG 4.49Å; L328-F337 HydrophobicContact CD1-CD2 3.99Å; L328-F337 HydrophobicContact CD1-CE2 4.36Å; L328-F337 HydrophobicContact CD1-CG 4.17Å; L328-F337 HydrophobicContact CD2-CB 4.05Å; L328-F337 HydrophobicContact CD2-CG 4.47Å; S333-F337 WeakPolarHBondContact O-CB 3.29Å; S333-F337 PolarHBondContact O-N 2.79Å; L334-F337 HydrophobicContact CD1-CD1 4.25Å; L334-F337 PolarHBondContact O-N 3.17Å; F337-K339 PolarHBondContact O-N 3.37Å; F337-W340 PolarHBondContact O-N 3.1Å; F337-W340 VanDerWaalsContact O-N 3.15Å; F337-A341 HydrophobicContact CD1-CB 4.46Å; F337-A341 HydrophobicContact CD2-CB 4.38Å; F337-A341 HydrophobicContact CE1-CB 4.13Å; F337-A341 HydrophobicContact CE2-CB 4.03Å; F337-A341 HydrophobicContact CZ-CB 3.89Å; F337-A341 WeakPolarHBondContact O-CB 3.09Å; F337-A341 PolarHBondContact O-N 3.21Å; F337-V348 HydrophobicContact CE2-CG1 4.2Å; F337-V359 HydrophobicContact CD1-CG1 4.44Å; F337-V359 HydrophobicContact CE1-CG1 4.11Å; F337-I363 HydrophobicContact CE2-CD1 3.86Å; F337-I363 HydrophobicContact CZ-CD1 4.12Å; F337-I363 HydrophobicContact CZ-CG2 3.96Å; F337-L370 HydrophobicContact CE1-CD1 3.69Å; F337-L370 HydrophobicContact CZ-CD1 4.07Å; F337-L377 HydrophobicContact CD1-CD2 4.14Å; F337-L377 HydrophobicContact CE1-CD2 3.77Å; F337-V379 HydrophobicContact CE1-CG2 4.39Å; F337-V379 HydrophobicContact CE2-CG1 4.46Å; F337-V379 HydrophobicContact CZ-CG1 4.13Å; F337-V379 HydrophobicContact CZ-CG2 3.84Å; F337-M381 HydrophobicContact CD2-SD 3.75Å; F337-M381 HydrophobicContact CE2-SD 3.56Å; F337-M381 VanDerWaalsContact CE2-SD 3.56Å
338R95.1Very high92.8Very high85 Ų8542.5 Ų42.532%0.32121%0.205SC..Hα-helixtrans-58.3-34.4178.1-74178.970.9167.43.5112.9L334 H335 I336 F372 L377L334-R338 HydrophobicContact CD1-CG 4.13Å; L334-R338 WeakPolarHBondContact O-CG 3.37Å; L334-R338 PolarHBondContact O-N 3.07Å; H335-R338 PolarHBondContact O-N 2.88Å; I336-R338 VanDerWaalsContact C-N 3.35Å; I336-R338 PolarHBondContact O-N 3.3Å; R338-F372 HydrophobicContact CG-CE2 4.46Å; R338-L377 HydrophobicContact CB-CD2 4.48Å; R338-L377 HydrophobicContact CG-CD2 4.18Å; R338-L377 WeakPolarHBondContact O-CD1 3.29Å
339K94.8Very high93.1Very high89 Ų8942.5 Ų42.539%0.38721%0.205SC..Hα-helixtrans-75.3-35.1177.8-74.4-175.8164.3-171.20113.2V313 D314 H335 I336 F337V313-K339 HydrophobicContact CG1-CD 3.88Å; D314-K339 WeakPolarHBondContact OD1-CD 3.33Å; D314-K339 WeakPolarHBondContact OD1-CE 3.2Å; D314-K339 IonicContact OD1-NZ 3.74Å; D314-K339 PolarHBondContact OD1-NZ 2.91Å; D314-K339 IonicContact OD2-NZ 2.78Å; D314-K339 PolarHBondContact OD2-NZ 3.37Å; H335-K339 WeakPolarHBondContact NE2-CE 3.46Å; H335-K339 PolarHBondContact O-N 2.79Å; I336-K339 PolarHBondContact O-N 3.23Å; I336-K339 VanDerWaalsContact O-N 3.11Å; F337-K339 PolarHBondContact O-N 3.37Å
340W97Very high93.9Very high8 Ų839.1 Ų39.13%0.0319%0.189CC..Hα-helixtrans-100.9-18.3-169.9-65.8-2.7000114.3K234 L236 V313 M319 V321 I336 F337 S342 D343 N346 M381K234-W340 HydrophobicContact CB-CD2 4.06Å; K234-W340 HydrophobicContact CB-CE3 3.8Å; K234-W340 HydrophobicContact CB-CH2 4.02Å; K234-W340 HydrophobicContact CB-CZ2 4.31Å; K234-W340 HydrophobicContact CB-CZ3 3.79Å; K234-W340 HydrophobicContact CD-CD2 3.96Å; K234-W340 VanDerWaalsContact CD-CE2 3.49Å; K234-W340 HydrophobicContact CD-CE3 4.5Å; K234-W340 HydrophobicContact CD-CG 4.41Å; K234-W340 HydrophobicContact CD-CH2 4.17Å; K234-W340 HydrophobicContact CD-CZ2 3.64Å; L236-W340 HydrophobicContact CB-CE3 3.97Å; L236-W340 HydrophobicContact CB-CZ3 4.01Å; V313-W340 HydrophobicContact CG1-CZ2 3.94Å; V313-W340 PolarHBondContact O-NE1 3Å; V313-W340 VanDerWaalsContact O-NE1 3.15Å; M319-W340 HydrophobicContact CG-CH2 3.83Å; M319-W340 HydrophobicContact CG-CZ2 4.15Å; M319-W340 HydrophobicContact SD-CH2 3.84Å; M319-W340 HydrophobicContact SD-CZ2 3.66Å; V321-W340 HydrophobicContact CB-CH2 3.87Å; V321-W340 HydrophobicContact CB-CZ3 4.24Å; V321-W340 HydrophobicContact CG2-CH2 3.45Å; V321-W340 VanDerWaalsContact CG2-CH2 3.45Å; V321-W340 HydrophobicContact CG2-CZ2 4.29Å; V321-W340 HydrophobicContact CG2-CZ3 4.27Å; I336-W340 HydrophobicContact CG2-CD2 3.5Å; I336-W340 VanDerWaalsContact CG2-CD2 3.5Å; I336-W340 HydrophobicContact CG2-CE3 3.49Å; I336-W340 VanDerWaalsContact CG2-CE3 3.49Å; I336-W340 HydrophobicContact CG2-CG 4.22Å; I336-W340 HydrophobicContact CG2-CH2 3.77Å; I336-W340 HydrophobicContact CG2-CZ2 3.75Å; I336-W340 HydrophobicContact CG2-CZ3 3.63Å; I336-W340 PolarHBondContact O-N 3.44Å; F337-W340 PolarHBondContact O-N 3.1Å; F337-W340 VanDerWaalsContact O-N 3.15Å; W340-S342 VanDerWaalsContact C-N 3.27Å; W340-S342 PolarHBondContact O-N 3.37Å; W340-D343 PolarHBondContact O-N 2.89Å; W340-N346 PolarHBondContact O-ND2 3.03Å; W340-M381 HydrophobicContact CB-CE 4.43Å
341A96.9Very high94.4Very high0 Ų038.7 Ų38.70%019%0.185CC..THydrogen-bonded Turntrans-62.7-28-170.200000114.8F337 D343 L377 V379 K380 M381F337-A341 HydrophobicContact CD1-CB 4.46Å; F337-A341 HydrophobicContact CD2-CB 4.38Å; F337-A341 HydrophobicContact CE1-CB 4.13Å; F337-A341 HydrophobicContact CE2-CB 4.03Å; F337-A341 HydrophobicContact CZ-CB 3.89Å; F337-A341 WeakPolarHBondContact O-CB 3.09Å; F337-A341 PolarHBondContact O-N 3.21Å; A341-D343 VanDerWaalsContact C-N 3.33Å; A341-L377 HydrophobicContact CB-CD1 4.29Å; A341-L377 HydrophobicContact CB-CD2 3.88Å; A341-L377 HydrophobicContact CB-CG 4.22Å; A341-V379 HydrophobicContact CB-CG1 4.49Å; A341-V379 HydrophobicContact CB-CG2 4.44Å; A341-V379 CarbonylContact O-C 3.53Å; A341-K380 PolarHBondContact O-N 3.49Å; A341-M381 VanDerWaalsContact CA-SD 3.55Å; A341-M381 HydrophobicContact CB-CG 4.48Å; A341-M381 HydrophobicContact CB-SD 3.97Å; A341-M381 PolarHBondContact O-N 3.37Å
342S96Very high94.5Very high60 Ų6038.3 Ų38.342%0.4218%0.181SC..THydrogen-bonded Turntrans-85.4-1.2-176.8-56.70000114.5W340 E378 K380W340-S342 VanDerWaalsContact C-N 3.27Å; W340-S342 PolarHBondContact O-N 3.37Å; S342-E378 WeakPolarHBondContact CA-O 3.36Å; S342-E378 PolarHBondContact OG-O 3.31Å; S342-K380 WeakPolarHBondContact O-CD 3.49Å
343D96.4Very high94.1Very high48 Ų4837 Ų3726%0.25717%0.173SC..  trans-105.7118.6176.3-177.5-14.1000110W340 A341 R345 N346W340-D343 PolarHBondContact O-N 2.89Å; A341-D343 VanDerWaalsContact C-N 3.33Å; D343-R345 PolarHBondContact O-N 3.13Å; D343-R345 VanDerWaalsContact OD1-CB 3.31Å; D343-R345 WeakPolarHBondContact OD1-CB 3.3Å; D343-R345 WeakPolarHBondContact OD1-CG 3.46Å; D343-R345 IonicContact OD1-CZ 3.94Å; D343-R345 PolarHBondContact OD1-N 3.12Å; D343-R345 IonicContact OD1-NE 3.06Å; D343-R345 PolarHBondContact OD1-NE 3.14Å; D343-R345 IonicContact OD1-NH2 3.92Å; D343-R345 IonicContact OD2-CZ 3.39Å; D343-R345 IonicContact OD2-NE 3.24Å; D343-R345 PolarHBondContact OD2-NE 3.23Å; D343-R345 IonicContact OD2-NH2 2.71Å; D343-R345 PolarHBondContact OD2-NH2 2.92Å; D343-N346 WeakPolarHBondContact CB-ND2 3.16Å; D343-N346 WeakPolarHBondContact O-CB 3.46Å; D343-N346 PolarHBondContact O-N 2.83Å; D343-N346 VanDerWaalsContact O-N 3.1Å
344E96.9Very high93.7Very high142 Ų14237.2 Ų37.266%0.66417%0.174SC*.THydrogen-bonded Turntrans-65.3-18.8-17764.4-174.7-172.200113.9N346 K380E344-N346 PolarHBondContact O-N 3.39Å; E344-K380 HydrophobicContact CB-CB 4.36Å
345R96.6Very high93Very high147 Ų14737.1 Ų37.156%0.55518%0.175SC*.THydrogen-bonded Turntrans-71.8-21175.2-60.5175.5-64.4174.21.7111.8R228 G233 D343R228-R345 WeakPolarHBondContact CD-O 3.2Å; G233-R345 VanDerWaalsContact CA-O 3.23Å; G233-R345 WeakPolarHBondContact CA-O 3.48Å; D343-R345 PolarHBondContact O-N 3.13Å; D343-R345 VanDerWaalsContact OD1-CB 3.31Å; D343-R345 WeakPolarHBondContact OD1-CB 3.3Å; D343-R345 WeakPolarHBondContact OD1-CG 3.46Å; D343-R345 IonicContact OD1-CZ 3.94Å; D343-R345 PolarHBondContact OD1-N 3.12Å; D343-R345 IonicContact OD1-NE 3.06Å; D343-R345 PolarHBondContact OD1-NE 3.14Å; D343-R345 IonicContact OD1-NH2 3.92Å; D343-R345 IonicContact OD2-CZ 3.39Å; D343-R345 IonicContact OD2-NE 3.24Å; D343-R345 PolarHBondContact OD2-NE 3.23Å; D343-R345 IonicContact OD2-NH2 2.71Å; D343-R345 PolarHBondContact OD2-NH2 2.92Å
346N98Very high92.4Very high6 Ų635.9 Ų35.93%0.03218%0.179CC..  trans-84.9164.2-176.1-61.7-27.3000112.1K234 W340 D343 E344 M381 A382K234-N346 WeakPolarHBondContact CB-OD1 3.22Å; K234-N346 PolarHBondContact N-OD1 3.42Å; K234-N346 CarbonylContact O-C 3.48Å; K234-N346 VanDerWaalsContact O-CA 3.24Å; K234-N346 WeakPolarHBondContact O-CA 3.36Å; K234-N346 WeakPolarHBondContact O-CB 3.31Å; W340-N346 PolarHBondContact O-ND2 3.03Å; D343-N346 WeakPolarHBondContact CB-ND2 3.16Å; D343-N346 WeakPolarHBondContact O-CB 3.46Å; D343-N346 PolarHBondContact O-N 2.83Å; D343-N346 VanDerWaalsContact O-N 3.1Å; E344-N346 PolarHBondContact O-N 3.39Å; N346-M381 HydrophobicContact CB-CB 3.99Å; N346-M381 HydrophobicContact CB-CE 3.81Å; N346-M381 WeakPolarHBondContact O-CA 3.32Å; N346-M381 WeakPolarHBondContact O-CB 3.31Å; N346-A382 PolarHBondContact O-N 3.03Å
347M98.1Very high91.7Very high0 Ų038.9 Ų38.90%021%0.21CC..EExtended strand (participates in β ladder)trans-141.3140.3176.4-176.7174.76600111K224 I225 R228 K234 V235 L236 V349 M381 A382 E384K224-M347 HydrophobicContact CB-CE 4.38Å; K224-M347 HydrophobicContact CB-SD 4.49Å; K224-M347 WeakPolarHBondContact O-CE 3.23Å; I225-M347 HydrophobicContact CG1-CE 4.07Å; R228-M347 HydrophobicContact CB-CE 3.91Å; R228-M347 HydrophobicContact CG-CB 3.75Å; R228-M347 HydrophobicContact CG-CE 4.19Å; K234-M347 PolarHBondContact O-N 3.17Å; V235-M347 CarbonylContact C-O 3.49Å; V235-M347 VanDerWaalsContact CA-O 3.31Å; V235-M347 WeakPolarHBondContact CA-O 3.5Å; V235-M347 HydrophobicContact CG1-CE 3.97Å; V235-M347 HydrophobicContact CG2-CE 3.92Å; L236-M347 PolarHBondContact N-O 3.06Å; M347-V349 HydrophobicContact CE-CG2 3.6Å; M347-V349 HydrophobicContact CG-CG2 4.13Å; M347-V349 HydrophobicContact SD-CG2 4.14Å; M347-M381 WeakPolarHBondContact O-CE 3.26Å; M347-A382 CarbonylContact C-O 3.57Å; M347-A382 VanDerWaalsContact CA-O 3.3Å; M347-A382 WeakPolarHBondContact CA-O 3.35Å; M347-A382 HydrophobicContact CB-CB 4.14Å; M347-A382 HydrophobicContact CG-CB 3.95Å; M347-E384 HydrophobicContact CG-CG 4.09Å; M347-E384 HydrophobicContact SD-CB 4.43Å; M347-E384 HydrophobicContact SD-CG 3.68Å
348V97.9Very high91.1Very high0 Ų039.7 Ų39.70%021%0.214CC..EExtended strand (participates in β ladder)trans-110.7127.7166.862.20000108.4L236 P238 L328 F337 I350 I363 M381 A382 V383 E384L236-V348 HydrophobicContact CB-CB 4.49Å; L236-V348 HydrophobicContact CB-CG2 4.3Å; L236-V348 HydrophobicContact CD2-CG2 4.23Å; L236-V348 HydrophobicContact CG-CG2 4.26Å; L236-V348 CarbonylContact O-C 3.56Å; L236-V348 VanDerWaalsContact O-CA 3.31Å; L236-V348 WeakPolarHBondContact O-CA 3.35Å; P238-V348 HydrophobicContact CG-CG2 4.22Å; L328-V348 HydrophobicContact CD1-CG2 4.39Å; F337-V348 HydrophobicContact CE2-CG1 4.2Å; V348-I350 HydrophobicContact CG2-CD1 3.77Å; V348-I363 HydrophobicContact CG1-CD1 4.03Å; V348-M381 HydrophobicContact CB-CE 3.83Å; V348-M381 HydrophobicContact CB-SD 3.9Å; V348-M381 HydrophobicContact CG1-CE 4.32Å; V348-M381 HydrophobicContact CG1-CG 4.32Å; V348-M381 HydrophobicContact CG1-SD 3.84Å; V348-A382 PolarHBondContact N-O 3.13Å; V348-V383 HydrophobicContact CG1-CB 4.17Å; V348-V383 HydrophobicContact CG1-CG1 4.14Å; V348-V383 HydrophobicContact CG1-CG2 3.84Å; V348-E384 PolarHBondContact O-N 2.88Å
349V96.9Very high91Very high0 Ų036.3 Ų36.30%020%0.204CC..EExtended strand (participates in β ladder)trans-109.9107.8178.21800000108.1F221 I225 V235 L236 I237 P238 M347 P351 E384 L386F221-V349 HydrophobicContact CD2-CG1 4.12Å; F221-V349 HydrophobicContact CE2-CG1 4Å; I225-V349 HydrophobicContact CG1-CG2 4.38Å; V235-V349 HydrophobicContact CG1-CG2 4.1Å; L236-V349 PolarHBondContact O-N 2.82Å; I237-V349 HydrophobicContact CG1-CB 4.41Å; P238-V349 WeakPolarHBondContact CD-O 3.12Å; M347-V349 HydrophobicContact CE-CG2 3.6Å; M347-V349 HydrophobicContact CG-CG2 4.13Å; M347-V349 HydrophobicContact SD-CG2 4.14Å; V349-P351 VanDerWaalsContact O-CD 3.27Å; V349-P351 WeakPolarHBondContact O-CD 3Å; V349-E384 CarbonylContact C-O 3.55Å; V349-E384 WeakPolarHBondContact CA-O 3.29Å; V349-E384 HydrophobicContact CG2-CB 4.35Å; V349-L386 HydrophobicContact CG1-CB 4.22Å; V349-L386 HydrophobicContact CG1-CD1 3.8Å; V349-L386 HydrophobicContact CG1-CG 4.18Å
350I94.7Very high90.8Very high1 Ų132.1 Ų32.11%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-86.4111.5175.6-51.1-58.3000108.6P238 L328 V348 G352 I363 L364 E384 Y385 L386P238-I350 HydrophobicContact CG-CD1 3.33Å; L328-I350 HydrophobicContact CD1-CD1 4.03Å; V348-I350 HydrophobicContact CG2-CD1 3.77Å; I350-G352 WeakPolarHBondContact CG2-O 3.4Å; I350-I363 HydrophobicContact CD1-CD1 4.39Å; I350-L364 HydrophobicContact CB-CD1 4.24Å; I350-L364 HydrophobicContact CB-CD2 4.07Å; I350-L364 HydrophobicContact CB-CG 4.43Å; I350-L364 HydrophobicContact CG1-CD1 4.39Å; I350-L364 HydrophobicContact CG1-CD2 3.89Å; I350-L364 HydrophobicContact CG1-CG 4.13Å; I350-L364 HydrophobicContact CG2-CD1 3.92Å; I350-E384 PolarHBondContact N-O 3.46Å; I350-Y385 HydrophobicContact CB-CD2 4.46Å; I350-Y385 WeakPolarHBondContact O-CD2 3.34Å; I350-L386 PolarHBondContact O-N 2.94Å; I350-L386 VanDerWaalsContact O-N 3.13Å
351P91Very high90.5Very high8 Ų836.2 Ų36.25%0.05220%0.201CC..  trans-86.7-8.7-17232.8-32.2000113.9I237 P238 V239 L248 V349 L386 F388I237-P351 HydrophobicContact CG2-CG 4.28Å; P238-P351 WeakPolarHBondContact O-CD 3.31Å; P238-P351 WeakPolarHBondContact O-CG 3.46Å; V239-P351 HydrophobicContact CG1-CG 3.87Å; L248-P351 HydrophobicContact CD1-CB 3.66Å; L248-P351 HydrophobicContact CD1-CG 4.06Å; V349-P351 VanDerWaalsContact O-CD 3.27Å; V349-P351 WeakPolarHBondContact O-CD 3Å; P351-L386 CarbonylContact C-O 3.56Å; P351-L386 WeakPolarHBondContact CA-O 3.36Å; P351-L386 VanDerWaalsContact O-O 3.11Å; P351-F388 HydrophobicContact CB-CB 4.23Å; P351-F388 CarbonylContact O-C 3.3Å; P351-F388 WeakPolarHBondContact O-CA 3.35Å; P351-F388 WeakPolarHBondContact O-CB 3.36Å; P351-F388 PolarHBondContact O-N 3.36Å
352G84.1Confident90.3Very high16 Ų1640.7 Ų40.717%0.16522%0.221CC..SBendtrans-153-174.2-169.200000113.7I350I350-G352 WeakPolarHBondContact CG2-O 3.4Å
353Y81Confident90.3Very high62 Ų6237.9 Ų37.924%0.24320%0.201CC..  trans-67141.2-177-175-100.8000112.2V15 V355 E415V15-Y353 HydrophobicContact CG1-CE1 4.5Å; Y353-V355 HydrophobicContact CD1-CG2 4.21Å; Y353-V355 HydrophobicContact CE1-CB 4.4Å; Y353-V355 HydrophobicContact CE1-CG2 3.75Å; Y353-E415 PolarHBondContact OH-OE1 2.94Å
354C83.3Confident90.1Very high5 Ų538.2 Ų38.23%0.03420%0.203CC..  trans-120.1127.2170.3-69.90000108.8Y361C354-Y361 WeakPolarHBondContact O-CD2 3.28Å
355V76.7Confident90Very high20 Ų2036.2 Ų36.212%0.12120%0.196CC..  trans-69.3145.4176.9176.50000110M327 Y353 G357 T358 Y361M327-V355 HydrophobicContact CE-CG2 3.83Å; M327-V355 HydrophobicContact SD-CB 4.19Å; M327-V355 HydrophobicContact SD-CG2 4.07Å; Y353-V355 HydrophobicContact CD1-CG2 4.21Å; Y353-V355 HydrophobicContact CE1-CB 4.4Å; Y353-V355 HydrophobicContact CE1-CG2 3.75Å; V355-G357 PolarHBondContact O-N 2.83Å; V355-T358 HydrophobicContact CB-CG2 4.49Å; V355-T358 WeakPolarHBondContact O-CB 3.43Å; V355-T358 WeakPolarHBondContact O-CG2 2.93Å; V355-T358 PolarHBondContact O-N 3.25Å; V355-T358 PolarHBondContact O-OG1 3.21Å; V355-Y361 VanDerWaalsContact O-CB 3.29Å; V355-Y361 WeakPolarHBondContact O-CB 3.21Å
356A79Confident89.9Confident57 Ų5731.1 Ų31.147%0.47119%0.189SC..THydrogen-bonded Turntrans-52138.2173.400000111.4Y361A356-Y361 HydrophobicContact CB-CD1 4.47Å; A356-Y361 HydrophobicContact CB-CE1 4.26Å; A356-Y361 HydrophobicContact CB-CE2 4.44Å
357G79.6Confident89.7Confident63 Ų6333.4 Ų33.465%0.64920%0.204SC*.THydrogen-bonded Turntrans94.5-16.3-176.400000115V355V355-G357 PolarHBondContact O-N 2.83Å
358T84.3Confident89.6Confident16 Ų1638.9 Ų38.910%0.09822%0.224CC..SBendtrans-78.8157.9175.164.60000112.7M327 H329 V355 G360 Y361 K362M327-T358 HydrophobicContact CB-CG2 3.99Å; M327-T358 HydrophobicContact SD-CG2 3.99Å; H329-T358 HydrophobicContact CB-CG2 4.29Å; V355-T358 HydrophobicContact CB-CG2 4.49Å; V355-T358 WeakPolarHBondContact O-CB 3.43Å; V355-T358 WeakPolarHBondContact O-CG2 2.93Å; V355-T358 PolarHBondContact O-N 3.25Å; V355-T358 PolarHBondContact O-OG1 3.21Å; T358-G360 VanDerWaalsContact C-N 3.31Å; T358-G360 PolarHBondContact O-N 3.36Å; T358-Y361 PolarHBondContact O-N 3.22Å; T358-Y361 WeakPolarHBondContact OG1-CB 3.43Å; T358-Y361 PolarHBondContact OG1-N 3.28Å; T358-K362 WeakPolarHBondContact O-CG 3.49Å; T358-K362 PolarHBondContact O-N 3.3Å; T358-K362 VanDerWaalsContact O-N 3.16Å
359V91.1Very high89.5Confident15 Ų1547.6 Ų47.69%0.09126%0.257CS..Hα-helixtrans-61.7-42174.3175.90000110.8L328 L334 F337 Y361 K362 I363 L370 F372L328-V359 HydrophobicContact CB-CB 3.96Å; L328-V359 HydrophobicContact CB-CG1 4.12Å; L328-V359 WeakPolarHBondContact O-CB 3.35Å; L328-V359 WeakPolarHBondContact O-CG2 3.48Å; L334-V359 HydrophobicContact CD1-CG1 4.41Å; L334-V359 HydrophobicContact CD1-CG2 4.24Å; F337-V359 HydrophobicContact CD1-CG1 4.44Å; F337-V359 HydrophobicContact CE1-CG1 4.11Å; V359-Y361 VanDerWaalsContact C-N 3.31Å; V359-Y361 PolarHBondContact O-N 3.23Å; V359-K362 PolarHBondContact O-N 3.09Å; V359-K362 VanDerWaalsContact O-N 3.14Å; V359-I363 HydrophobicContact CG1-CG2 4.48Å; V359-I363 PolarHBondContact O-N 3.4Å; V359-I363 VanDerWaalsContact O-N 3.09Å; V359-L370 HydrophobicContact CG1-CD1 3.79Å; V359-F372 HydrophobicContact CG1-CZ 4.19Å; V359-F372 HydrophobicContact CG2-CE1 3.77Å; V359-F372 HydrophobicContact CG2-CZ 3.91Å
360G92.4Very high89.3Confident0 Ų047.8 Ų47.80%026%0.258CS..Hα-helixtrans-55.8-45.2176.200000112.3M327 T358 K362 I363 L364M327-G360 PolarHBondContact O-N 2.79Å; T358-G360 VanDerWaalsContact C-N 3.31Å; T358-G360 PolarHBondContact O-N 3.36Å; G360-K362 PolarHBondContact O-N 3.35Å; G360-I363 VanDerWaalsContact O-CG1 3.28Å; G360-I363 WeakPolarHBondContact O-CG1 3.03Å; G360-L364 WeakPolarHBondContact O-CB 3.5Å; G360-L364 VanDerWaalsContact O-CG 3.27Å; G360-L364 WeakPolarHBondContact O-CG 3.44Å; G360-L364 PolarHBondContact O-N 3.22Å
361Y90.4Very high89.1Confident94 Ų9455.6 Ų55.637%0.36930%0.295SS..Hα-helixtrans-62.5-42.6176.2-178.2-92.6000112.5C354 V355 A356 T358 V359 N365C354-Y361 WeakPolarHBondContact O-CD2 3.28Å; V355-Y361 VanDerWaalsContact O-CB 3.29Å; V355-Y361 WeakPolarHBondContact O-CB 3.21Å; A356-Y361 HydrophobicContact CB-CD1 4.47Å; A356-Y361 HydrophobicContact CB-CE1 4.26Å; A356-Y361 HydrophobicContact CB-CE2 4.44Å; T358-Y361 PolarHBondContact O-N 3.22Å; T358-Y361 WeakPolarHBondContact OG1-CB 3.43Å; T358-Y361 PolarHBondContact OG1-N 3.28Å; V359-Y361 VanDerWaalsContact C-N 3.31Å; V359-Y361 PolarHBondContact O-N 3.23Å; Y361-N365 WeakPolarHBondContact CD1-ND2 3.39Å; Y361-N365 WeakPolarHBondContact CE1-ND2 3.28Å; Y361-N365 WeakPolarHBondContact CE2-ND2 3.26Å; Y361-N365 PolarHBondContact O-N 2.96Å; Y361-N365 VanDerWaalsContact O-N 3.17Å; Y361-N365 PolarHBondContact O-ND2 3.06Å
362K92.7Very high88.8Confident95 Ų9556.5 Ų56.541%0.41330%0.298SS..Hα-helixtrans-60.6-49.1179.6-69.4177.1-176.9-176.70111.8T358 V359 G360 L364 N365 V367 L370T358-K362 WeakPolarHBondContact O-CG 3.49Å; T358-K362 PolarHBondContact O-N 3.3Å; T358-K362 VanDerWaalsContact O-N 3.16Å; V359-K362 PolarHBondContact O-N 3.09Å; V359-K362 VanDerWaalsContact O-N 3.14Å; G360-K362 PolarHBondContact O-N 3.35Å; K362-L364 PolarHBondContact O-N 3.08Å; K362-N365 CarbonylContact O-C 3.58Å; K362-N365 PolarHBondContact O-N 2.91Å; K362-V367 HydrophobicContact CB-CB 4.12Å; K362-V367 HydrophobicContact CB-CG2 4.1Å; K362-V367 VanDerWaalsContact O-CB 3.24Å; K362-V367 WeakPolarHBondContact O-CB 3.5Å; K362-V367 VanDerWaalsContact O-CG2 3.26Å; K362-V367 WeakPolarHBondContact O-CG2 3.33Å; K362-V367 PolarHBondContact O-N 3.29Å; K362-V367 VanDerWaalsContact O-N 3.09Å; K362-L370 HydrophobicContact CB-CD2 3.99Å; K362-L370 HydrophobicContact CD-CD2 4.01Å
363I95.2Very high88.5Confident1 Ų163.4 Ų63.41%0.00533%0.331CS..Hα-helixtrans-69.9-33-176.163.2174.7000113.1L328 F337 V348 I350 V359 G360 N365 G366 R368 L370 V379 V383L328-I363 HydrophobicContact CD1-CD1 3.61Å; F337-I363 HydrophobicContact CE2-CD1 3.86Å; F337-I363 HydrophobicContact CZ-CD1 4.12Å; F337-I363 HydrophobicContact CZ-CG2 3.96Å; V348-I363 HydrophobicContact CG1-CD1 4.03Å; I350-I363 HydrophobicContact CD1-CD1 4.39Å; V359-I363 HydrophobicContact CG1-CG2 4.48Å; V359-I363 PolarHBondContact O-N 3.4Å; V359-I363 VanDerWaalsContact O-N 3.09Å; G360-I363 VanDerWaalsContact O-CG1 3.28Å; G360-I363 WeakPolarHBondContact O-CG1 3.03Å; I363-N365 VanDerWaalsContact C-N 3.3Å; I363-G366 PolarHBondContact O-N 3.23Å; I363-G366 VanDerWaalsContact O-N 3.15Å; I363-R368 PolarHBondContact O-NH1 3.32Å; I363-R368 VanDerWaalsContact O-NH1 3.17Å; I363-L370 HydrophobicContact CG2-CD1 3.71Å; I363-L370 HydrophobicContact CG2-CD2 4.44Å; I363-L370 HydrophobicContact CG2-CG 4.43Å; I363-V379 HydrophobicContact CG2-CG2 4.41Å; I363-V383 HydrophobicContact CB-CG1 4.27Å; I363-V383 HydrophobicContact CB-CG2 4.37Å; I363-V383 HydrophobicContact CD1-CG1 4.1Å; I363-V383 HydrophobicContact CD1-CG2 4.49Å; I363-V383 HydrophobicContact CG1-CG1 4.03Å
364L93.3Very high88.5Confident55 Ų5570.5 Ų70.529%0.28836%0.363SS..Hα-helixtrans-64.2-36.6173.7-76.5-177.5000111.8I350 G360 K362 G366 V383 Y385I350-L364 HydrophobicContact CB-CD1 4.24Å; I350-L364 HydrophobicContact CB-CD2 4.07Å; I350-L364 HydrophobicContact CB-CG 4.43Å; I350-L364 HydrophobicContact CG1-CD1 4.39Å; I350-L364 HydrophobicContact CG1-CD2 3.89Å; I350-L364 HydrophobicContact CG1-CG 4.13Å; I350-L364 HydrophobicContact CG2-CD1 3.92Å; G360-L364 WeakPolarHBondContact O-CB 3.5Å; G360-L364 VanDerWaalsContact O-CG 3.27Å; G360-L364 WeakPolarHBondContact O-CG 3.44Å; G360-L364 PolarHBondContact O-N 3.22Å; K362-L364 PolarHBondContact O-N 3.08Å; L364-G366 PolarHBondContact O-N 3.26Å; L364-V383 HydrophobicContact CD2-CG1 4.12Å; L364-Y385 HydrophobicContact CD1-CD2 4.1Å; L364-Y385 HydrophobicContact CD2-CD2 4.27Å; L364-Y385 HydrophobicContact CD2-CG 4.37Å
365N93.8Very high88.6Confident100 Ų10076.4 Ų76.454%0.53539%0.39SS..THydrogen-bonded Turntrans-82.418.9174.4-71.1-67.9000113.5Y361 K362 I363 V367Y361-N365 WeakPolarHBondContact CD1-ND2 3.39Å; Y361-N365 WeakPolarHBondContact CE1-ND2 3.28Å; Y361-N365 WeakPolarHBondContact CE2-ND2 3.26Å; Y361-N365 PolarHBondContact O-N 2.96Å; Y361-N365 VanDerWaalsContact O-N 3.17Å; Y361-N365 PolarHBondContact O-ND2 3.06Å; K362-N365 CarbonylContact O-C 3.58Å; K362-N365 PolarHBondContact O-N 2.91Å; I363-N365 VanDerWaalsContact C-N 3.3Å; N365-V367 PolarHBondContact O-N 2.83Å
366G93.9Very high89.4Confident39 Ų3980 Ų8040%0.40241%0.412SS..THydrogen-bonded Turntrans84.84.8171.700000115.5I363 L364 R368I363-G366 PolarHBondContact O-N 3.23Å; I363-G366 VanDerWaalsContact O-N 3.15Å; L364-G366 PolarHBondContact O-N 3.26Å; G366-R368 PolarHBondContact O-N 2.98Å
367V95Very high90.1Very high55 Ų5578.4 Ų78.433%0.33340%0.395SS..  trans-66120.4175.5-178.50000109.4K362 N365 R369 L370K362-V367 HydrophobicContact CB-CB 4.12Å; K362-V367 HydrophobicContact CB-CG2 4.1Å; K362-V367 VanDerWaalsContact O-CB 3.24Å; K362-V367 WeakPolarHBondContact O-CB 3.5Å; K362-V367 VanDerWaalsContact O-CG2 3.26Å; K362-V367 WeakPolarHBondContact O-CG2 3.33Å; K362-V367 PolarHBondContact O-N 3.29Å; K362-V367 VanDerWaalsContact O-N 3.09Å; N365-V367 PolarHBondContact O-N 2.83Å; V367-R369 VanDerWaalsContact CG1-O 3.25Å; V367-R369 WeakPolarHBondContact CG1-O 3.43Å; V367-L370 HydrophobicContact CG1-CD2 3.81Å
368R95.7Very high90.8Very high114 Ų11479.5 Ų79.543%0.4338%0.383SS..  trans-107.1-11.8-179.5-62.3-64.8176.2-103.93.3114.4I363 G366 V379I363-R368 PolarHBondContact O-NH1 3.32Å; I363-R368 VanDerWaalsContact O-NH1 3.17Å; G366-R368 PolarHBondContact O-N 2.98Å; R368-V379 WeakPolarHBondContact CD-O 3.41Å; R368-V379 PolarHBondContact O-N 3.44Å
369R95.3Very high91.4Very high183 Ų18379 Ų7969%0.69138%0.38SS*.EExtended strand (participates in β ladder)trans-119.3116.2174.2-69.2-177.4175.6-179.9-1.4108.7V367 V376V367-R369 VanDerWaalsContact CG1-O 3.25Å; V367-R369 WeakPolarHBondContact CG1-O 3.43Å; R369-V376 HydrophobicContact CB-CG1 4.41Å
370L93Very high91.7Very high5 Ų583.5 Ų83.53%0.02640%0.399CS..EExtended strand (participates in β ladder)trans-114.2130.8-179.7-65.2170.6000109.4F337 V359 K362 I363 V367 F372 L377 V379F337-L370 HydrophobicContact CE1-CD1 3.69Å; F337-L370 HydrophobicContact CZ-CD1 4.07Å; V359-L370 HydrophobicContact CG1-CD1 3.79Å; K362-L370 HydrophobicContact CB-CD2 3.99Å; K362-L370 HydrophobicContact CD-CD2 4.01Å; I363-L370 HydrophobicContact CG2-CD1 3.71Å; I363-L370 HydrophobicContact CG2-CD2 4.44Å; I363-L370 HydrophobicContact CG2-CG 4.43Å; V367-L370 HydrophobicContact CG1-CD2 3.81Å; L370-F372 HydrophobicContact CB-CD2 4.19Å; L370-F372 HydrophobicContact CB-CE2 3.51Å; L370-F372 HydrophobicContact CB-CZ 4.08Å; L370-F372 HydrophobicContact CD1-CE2 4.02Å; L370-F372 HydrophobicContact CD1-CZ 4.07Å; L370-F372 HydrophobicContact CG-CE2 4.44Å; L370-L377 PolarHBondContact N-O 3.03Å; L370-L377 PolarHBondContact O-N 2.82Å; L370-V379 HydrophobicContact CD1-CG2 3.81Å; L370-V379 HydrophobicContact CG-CG2 4.21Å
371E89.8Confident92Very high165 Ų16583.7 Ų83.777%0.77140%0.4SS*.EExtended strand (participates in β ladder)trans-95.5125175.5-65.5-17917800109.7V376E371-V376 HydrophobicContact CG-CG2 4.36Å
372F85Confident92.3Very high27 Ų2780.4 Ų80.412%0.11839%0.392CS..EExtended strand (participates in β ladder)trans-124.6110173.5-64.1-80.2000108.1L334 R338 V359 L370 K374 Q375 L377L334-F372 HydrophobicContact CD1-CE1 3.85Å; L334-F372 HydrophobicContact CD1-CZ 3.86Å; L334-F372 HydrophobicContact CD2-CE1 4.3Å; R338-F372 HydrophobicContact CG-CE2 4.46Å; V359-F372 HydrophobicContact CG1-CZ 4.19Å; V359-F372 HydrophobicContact CG2-CE1 3.77Å; V359-F372 HydrophobicContact CG2-CZ 3.91Å; L370-F372 HydrophobicContact CB-CD2 4.19Å; L370-F372 HydrophobicContact CB-CE2 3.51Å; L370-F372 HydrophobicContact CB-CZ 4.08Å; L370-F372 HydrophobicContact CD1-CE2 4.02Å; L370-F372 HydrophobicContact CD1-CZ 4.07Å; L370-F372 HydrophobicContact CG-CE2 4.44Å; F372-K374 PolarHBondContact O-N 3.41Å; F372-Q375 PolarHBondContact N-O 3.44Å; F372-Q375 PolarHBondContact O-N 3.33Å; F372-L377 HydrophobicContact CD2-CB 4.08Å; F372-L377 HydrophobicContact CD2-CD2 4.48Å; F372-L377 HydrophobicContact CE2-CB 4.06Å; F372-L377 HydrophobicContact CE2-CD2 3.83Å
373D78.2Confident92.5Very high161 Ų16177.2 Ų77.286%0.86138%0.38SS*.THydrogen-bonded Turntrans56.1-96.7-175.5-47.8-50.9000112.2
374K80Confident92.6Very high211 Ų21179.5 Ų79.592%0.91739%0.391SS*.THydrogen-bonded Turntrans-122.211.4177.6-61.9-176.7179.8179.90112.9F372F372-K374 PolarHBondContact O-N 3.41Å
375Q87.1Confident92.5Very high129 Ų12981.5 Ų81.560%0.60340%0.395SS*.EExtended strand (participates in β ladder)trans-113.2132.5-179.5-67-178.8-10.500110.1F372F372-Q375 PolarHBondContact N-O 3.44Å; F372-Q375 PolarHBondContact O-N 3.33Å
376V91.8Very high92.3Very high96 Ų9677 Ų7758%0.58237%0.371SS*.EExtended strand (participates in β ladder)trans-95.6121.8171.4-175.70000108.1R369 E371R369-V376 HydrophobicContact CB-CG1 4.41Å; E371-V376 HydrophobicContact CG-CG2 4.36Å
377L93.9Very high92Very high22 Ų2276.1 Ų76.112%0.11536%0.359CS..EExtended strand (participates in β ladder)trans-98.7119.9172.4-178.870.3000109.2F337 R338 A341 L370 F372F337-L377 HydrophobicContact CD1-CD2 4.14Å; F337-L377 HydrophobicContact CE1-CD2 3.77Å; R338-L377 HydrophobicContact CB-CD2 4.48Å; R338-L377 HydrophobicContact CG-CD2 4.18Å; R338-L377 WeakPolarHBondContact O-CD1 3.29Å; A341-L377 HydrophobicContact CB-CD1 4.29Å; A341-L377 HydrophobicContact CB-CD2 3.88Å; A341-L377 HydrophobicContact CB-CG 4.22Å; L370-L377 PolarHBondContact N-O 3.03Å; L370-L377 PolarHBondContact O-N 2.82Å; F372-L377 HydrophobicContact CD2-CB 4.08Å; F372-L377 HydrophobicContact CD2-CD2 4.48Å; F372-L377 HydrophobicContact CE2-CB 4.06Å; F372-L377 HydrophobicContact CE2-CD2 3.83Å
378E95.7Very high91.6Very high86 Ų8673.8 Ų73.840%0.40234%0.344SS..EExtended strand (participates in β ladder)trans-87.3120.9170.1-170.1174.5-149.100109.9S342 K380S342-E378 WeakPolarHBondContact CA-O 3.36Å; S342-E378 PolarHBondContact OG-O 3.31Å; E378-K380 HydrophobicContact CG-CG 4.13Å; E378-K380 PolarHBondContact O-N 3Å; E378-K380 WeakPolarHBondContact OE2-CE 3.4Å; E378-K380 IonicContact OE2-NZ 3.39Å; E378-K380 PolarHBondContact OE2-NZ 3.03Å
379V97.1Very high91Very high6 Ų668.7 Ų68.74%0.03633%0.326CS..  trans-91.398.2179.6-1740000108.6F337 A341 I363 R368 L370 M381 V383F337-V379 HydrophobicContact CE1-CG2 4.39Å; F337-V379 HydrophobicContact CE2-CG1 4.46Å; F337-V379 HydrophobicContact CZ-CG1 4.13Å; F337-V379 HydrophobicContact CZ-CG2 3.84Å; A341-V379 HydrophobicContact CB-CG1 4.49Å; A341-V379 HydrophobicContact CB-CG2 4.44Å; A341-V379 CarbonylContact O-C 3.53Å; I363-V379 HydrophobicContact CG2-CG2 4.41Å; R368-V379 WeakPolarHBondContact CD-O 3.41Å; R368-V379 PolarHBondContact O-N 3.44Å; L370-V379 HydrophobicContact CD1-CG2 3.81Å; L370-V379 HydrophobicContact CG-CG2 4.21Å; V379-M381 HydrophobicContact CG1-CG 4.05Å; V379-V383 HydrophobicContact CG1-CG2 4.08Å
380K97.4Very high90.5Very high110 Ų11060.5 Ų60.548%0.47830%0.298SS..  trans-98.3-23175-58.4-169-1761750113.1A341 S342 E344 E378A341-K380 PolarHBondContact O-N 3.49Å; S342-K380 WeakPolarHBondContact O-CD 3.49Å; E344-K380 HydrophobicContact CB-CB 4.36Å; E378-K380 HydrophobicContact CG-CG 4.13Å; E378-K380 PolarHBondContact O-N 3Å; E378-K380 WeakPolarHBondContact OE2-CE 3.4Å; E378-K380 IonicContact OE2-NZ 3.39Å; E378-K380 PolarHBondContact OE2-NZ 3.03Å
381M97.6Very high90.4Very high4 Ų461.6 Ų61.62%0.0230%0.303CS..SBendtrans-59.5152.5177.277.8-177.8-41.200111.7F337 W340 A341 N346 M347 V348 V379 V383F337-M381 HydrophobicContact CD2-SD 3.75Å; F337-M381 HydrophobicContact CE2-SD 3.56Å; F337-M381 VanDerWaalsContact CE2-SD 3.56Å; W340-M381 HydrophobicContact CB-CE 4.43Å; A341-M381 VanDerWaalsContact CA-SD 3.55Å; A341-M381 HydrophobicContact CB-CG 4.48Å; A341-M381 HydrophobicContact CB-SD 3.97Å; A341-M381 PolarHBondContact O-N 3.37Å; N346-M381 HydrophobicContact CB-CB 3.99Å; N346-M381 HydrophobicContact CB-CE 3.81Å; N346-M381 WeakPolarHBondContact O-CA 3.32Å; N346-M381 WeakPolarHBondContact O-CB 3.31Å; M347-M381 WeakPolarHBondContact O-CE 3.26Å; V348-M381 HydrophobicContact CB-CE 3.83Å; V348-M381 HydrophobicContact CB-SD 3.9Å; V348-M381 HydrophobicContact CG1-CE 4.32Å; V348-M381 HydrophobicContact CG1-CG 4.32Å; V348-M381 HydrophobicContact CG1-SD 3.84Å; V379-M381 HydrophobicContact CG1-CG 4.05Å; M381-V383 PolarHBondContact O-N 3.38Å
382A97.5Very high90.5Very high24 Ų2453.8 Ų53.820%0.19827%0.266CS..EExtended strand (participates in β ladder)trans-65.5135.417300000110.6N346 M347 V348N346-A382 PolarHBondContact O-N 3.03Å; M347-A382 CarbonylContact C-O 3.57Å; M347-A382 VanDerWaalsContact CA-O 3.3Å; M347-A382 WeakPolarHBondContact CA-O 3.35Å; M347-A382 HydrophobicContact CB-CB 4.14Å; M347-A382 HydrophobicContact CG-CB 3.95Å; V348-A382 PolarHBondContact N-O 3.13Å
383V97Very high90.9Very high28 Ų2853.3 Ų53.317%0.1727%0.265CS..EExtended strand (participates in β ladder)trans-114.6109.6177.2-178.90000107.8V348 I363 L364 V379 M381V348-V383 HydrophobicContact CG1-CB 4.17Å; V348-V383 HydrophobicContact CG1-CG1 4.14Å; V348-V383 HydrophobicContact CG1-CG2 3.84Å; I363-V383 HydrophobicContact CB-CG1 4.27Å; I363-V383 HydrophobicContact CB-CG2 4.37Å; I363-V383 HydrophobicContact CD1-CG1 4.1Å; I363-V383 HydrophobicContact CD1-CG2 4.49Å; I363-V383 HydrophobicContact CG1-CG1 4.03Å; L364-V383 HydrophobicContact CD2-CG1 4.12Å; V379-V383 HydrophobicContact CG1-CG2 4.08Å; M381-V383 PolarHBondContact O-N 3.38Å
384E95.7Very high91.6Very high49 Ų4945.8 Ų45.823%0.22923%0.225CC..EExtended strand (participates in β ladder)trans-112.1130.8-177.1-70.9-66166.100110.4K224 M347 V348 V349 I350K224-E384 HydrophobicContact CD-CG 4.24Å; K224-E384 WeakPolarHBondContact CE-OE2 3.41Å; K224-E384 IonicContact NZ-OE1 3.89Å; K224-E384 IonicContact NZ-OE2 2.68Å; K224-E384 PolarHBondContact NZ-OE2 3.05Å; M347-E384 HydrophobicContact CG-CG 4.09Å; M347-E384 HydrophobicContact SD-CB 4.43Å; M347-E384 HydrophobicContact SD-CG 3.68Å; V348-E384 PolarHBondContact O-N 2.88Å; V349-E384 CarbonylContact C-O 3.55Å; V349-E384 WeakPolarHBondContact CA-O 3.29Å; V349-E384 HydrophobicContact CG2-CB 4.35Å; I350-E384 PolarHBondContact N-O 3.46Å
385Y92.6Very high92.3Very high97 Ų9744.6 Ų44.638%0.3822%0.215SC..EExtended strand (participates in β ladder)trans-102.7116.2168.5178.6-112.1000109.3I350 L364 S387I350-Y385 HydrophobicContact CB-CD2 4.46Å; I350-Y385 WeakPolarHBondContact O-CD2 3.34Å; L364-Y385 HydrophobicContact CD1-CD2 4.1Å; L364-Y385 HydrophobicContact CD2-CD2 4.27Å; L364-Y385 HydrophobicContact CD2-CG 4.37Å; Y385-S387 PolarHBondContact OH-OG 2.77Å
386L89.5Confident92.7Very high6 Ų638.6 Ų38.63%0.03119%0.187CC..  trans-122.4107.2175.3-64.9177000107.7E220 F221 K224 V349 I350 P351 F388E220-L386 VanDerWaalsContact CD-CD2 3.46Å; E220-L386 HydrophobicContact CG-CD2 3.91Å; E220-L386 WeakPolarHBondContact OE1-CD2 3.35Å; F221-L386 HydrophobicContact CB-CD1 3.88Å; F221-L386 HydrophobicContact CD2-CD1 3.7Å; F221-L386 HydrophobicContact CG-CD1 4.25Å; K224-L386 HydrophobicContact CD-CD1 4.25Å; K224-L386 HydrophobicContact CD-CD2 4.3Å; V349-L386 HydrophobicContact CG1-CB 4.22Å; V349-L386 HydrophobicContact CG1-CD1 3.8Å; V349-L386 HydrophobicContact CG1-CG 4.18Å; I350-L386 PolarHBondContact O-N 2.94Å; I350-L386 VanDerWaalsContact O-N 3.13Å; P351-L386 CarbonylContact C-O 3.56Å; P351-L386 WeakPolarHBondContact CA-O 3.36Å; P351-L386 VanDerWaalsContact O-O 3.11Å; L386-F388 HydrophobicContact CB-CD2 4.04Å; L386-F388 HydrophobicContact CB-CE2 3.88Å; L386-F388 WeakPolarHBondContact O-CD2 3.35Å; L386-F388 PolarHBondContact O-N 3.36Å
387S86.3Confident92.9Very high21 Ų2134 Ų3415%0.14716%0.159CC..  trans-70.590.7-172.1-175.70000111.3R217 Y385 S389R217-S387 VanDerWaalsContact CD-O 3.26Å; R217-S387 WeakPolarHBondContact CD-O 3.22Å; R217-S387 PolarHBondContact NH1-O 2.99Å; Y385-S387 PolarHBondContact OH-OG 2.77Å; S387-S389 VanDerWaalsContact C-N 3.32Å
388F86.9Confident93Very high5 Ų533.6 Ų33.62%0.02216%0.157CC..  trans-100.335.3167.3-75.5-89.3000110.4R217 E218 F221 R244 L248 L251 P351 L386R217-F388 HydrophobicContact CB-CZ 4.39Å; E218-F388 HydrophobicContact CG-CE1 4.22Å; F221-F388 HydrophobicContact CB-CE2 3.57Å; F221-F388 HydrophobicContact CB-CZ 3.48Å; F221-F388 VanDerWaalsContact CB-CZ 3.48Å; F221-F388 HydrophobicContact CD1-CZ 4.29Å; F221-F388 HydrophobicContact CD2-CD2 4.24Å; F221-F388 AromaticContact CD2-CE2 3.47Å; F221-F388 HydrophobicContact CD2-CE2 3.47Å; F221-F388 VanDerWaalsContact CD2-CE2 3.47Å; F221-F388 HydrophobicContact CD2-CZ 4.01Å; F221-F388 HydrophobicContact CE2-CE2 4.29Å; F221-F388 AromaticContact CG-CE2 3.64Å; F221-F388 HydrophobicContact CG-CE2 3.64Å; F221-F388 AromaticContact CG-CZ 3.69Å; F221-F388 HydrophobicContact CG-CZ 3.69Å; R244-F388 WeakPolarHBondContact CD-O 3.28Å; R244-F388 HydrophobicContact CG-CB 4.04Å; R244-F388 VanDerWaalsContact CG-O 3.26Å; R244-F388 WeakPolarHBondContact CG-O 3.48Å; R244-F388 PolarHBondContact NE-O 3.17Å; L248-F388 HydrophobicContact CD2-CB 4.25Å; L248-F388 HydrophobicContact CD2-CD1 3.68Å; L248-F388 HydrophobicContact CD2-CD2 3.96Å; L248-F388 HydrophobicContact CD2-CE1 3.93Å; L248-F388 HydrophobicContact CD2-CE2 4.22Å; L248-F388 HydrophobicContact CD2-CG 3.7Å; L248-F388 HydrophobicContact CD2-CZ 4.2Å; L251-F388 HydrophobicContact CD2-CE1 4.13Å; L251-F388 HydrophobicContact CD2-CZ 4.25Å; P351-F388 HydrophobicContact CB-CB 4.23Å; P351-F388 CarbonylContact O-C 3.3Å; P351-F388 WeakPolarHBondContact O-CA 3.35Å; P351-F388 WeakPolarHBondContact O-CB 3.36Å; P351-F388 PolarHBondContact O-N 3.36Å; L386-F388 HydrophobicContact CB-CD2 4.04Å; L386-F388 HydrophobicContact CB-CE2 3.88Å; L386-F388 WeakPolarHBondContact O-CD2 3.35Å; L386-F388 PolarHBondContact O-N 3.36Å
389S82.7Confident93.1Very high8 Ų834.5 Ų34.56%0.05616%0.161CC..  trans-65.3142.6178177.70000111.9Y206 R211 R244 S387 H391Y206-S389 WeakPolarHBondContact CE2-OG 3.4Å; Y206-S389 WeakPolarHBondContact OH-CB 3.44Å; Y206-S389 PolarHBondContact OH-OG 3Å; R211-S389 PolarHBondContact NH1-O 3.35Å; R211-S389 PolarHBondContact NH2-OG 3.46Å; R244-S389 PolarHBondContact NH2-O 3.01Å; S387-S389 VanDerWaalsContact C-N 3.32Å; S389-H391 PolarHBondContact OG-CD2 3.07Å; S389-H391 PolarHBondContact OG-N 3.02Å
390A84.8Confident93.1Very high11 Ų1134.3 Ų34.39%0.09116%0.16CC..  trans-95.313177.100000113.5H157 N180H157-A390 PolarHBondContact ND1-O 2.96Å; N180-A390 VanDerWaalsContact CB-O 3.29Å; N180-A390 WeakPolarHBondContact CB-O 3.39Å
391H91.5Very high93.1Very high28 Ų2829.1 Ų29.113%0.1314%0.138CC..SBendtrans-89.2163.5177.3-66.6-101.8000111.2H157 D178 Y179 E203 T205 Y206 R211 S389 D393H157-H391 AromaticContact CE1-CD2 3.76Å; H157-H391 AromaticContact CE1-CE1 3.75Å; H157-H391 AromaticContact CE1-NE2 3.55Å; D178-H391 IonicContact OD1-CE1 2.79Å; D178-H391 IonicContact OD1-ND1 3.96Å; D178-H391 IonicContact OD2-CE1 3.84Å; D178-H391 PolarHBondContact OD2-CE1 3.31Å; D178-H391 IonicContact OD2-ND1 3.04Å; Y179-H391 CarbonylContact O-C 3.59Å; Y179-H391 WeakPolarHBondContact O-CA 3.38Å; E203-H391 IonicContact OE1-ND1 2.91Å; E203-H391 IonicContact OE2-CE1 2.78Å; E203-H391 IonicContact OE2-CG 2.8Å; E203-H391 IonicContact OE2-ND1 3.14Å; E203-H391 PolarHBondContact OE2-ND1 3.42Å; T205-H391 HydrophobicContact CG2-CB 4.49Å; T205-H391 PolarHBondContact OG1-ND1 3.5Å; Y206-H391 HydrophobicContact CD2-CB 3.66Å; Y206-H391 HydrophobicContact CE2-CB 3.81Å; R211-H391 PolarHBondContact NH1-O 3.11Å; R211-H391 PolarHBondContact NH2-O 2.92Å; S389-H391 PolarHBondContact OG-CD2 3.07Å; S389-H391 PolarHBondContact OG-N 3.02Å; H391-D393 PolarHBondContact O-N 3.18Å
392A92.4Very high93Very high1 Ų132.2 Ų32.21%0.00816%0.16CC..  trans-69.5133.117300000109.7Y179 E203 I397Y179-A392 HydrophobicContact CD1-CB 4.32Å; Y179-A392 HydrophobicContact CD2-CB 3.92Å; Y179-A392 HydrophobicContact CE1-CB 3.92Å; Y179-A392 HydrophobicContact CE2-CB 3.48Å; Y179-A392 VanDerWaalsContact CE2-CB 3.48Å; Y179-A392 HydrophobicContact CG-CB 4.32Å; Y179-A392 VanDerWaalsContact CZ-CB 3.49Å; Y179-A392 PolarHBondContact O-N 3Å; E203-A392 PolarHBondContact OE1-N 2.99Å; E203-A392 VanDerWaalsContact OE1-N 3.11Å; A392-I397 HydrophobicContact CB-CG1 3.76Å
393D92.6Very high93Very high17 Ų1734.2 Ų34.29%0.09117%0.165CC..BIsolated β-bridgetrans-85174.6169.175.9-9.2000110.3T209 R211 H391 R395 G396 I397T209-D393 WeakPolarHBondContact O-CB 3.47Å; R211-D393 HydrophobicContact CG-CB 3.97Å; R211-D393 PolarHBondContact N-OD2 3.1Å; R211-D393 VanDerWaalsContact N-OD2 3.1Å; H391-D393 PolarHBondContact O-N 3.18Å; D393-R395 PolarHBondContact O-N 2.83Å; D393-R395 VanDerWaalsContact O-N 3.07Å; D393-R395 PolarHBondContact OD1-N 3.11Å; D393-G396 PolarHBondContact O-N 2.83Å; D393-G396 PolarHBondContact OD1-N 3.34Å; D393-I397 WeakPolarHBondContact O-CG1 3.26Å; D393-I397 PolarHBondContact O-N 2.94Å
394A93.4Very high93Very high2 Ų232.9 Ų32.92%0.01716%0.157CC..Hα-helixtrans-54.2-34-17800000112.6Y206 A207 T209 I210 M398Y206-A394 PolarHBondContact O-N 3.07Å; A207-A394 VanDerWaalsContact O-CB 3.31Å; A207-A394 WeakPolarHBondContact O-CB 3.29Å; T209-A394 WeakPolarHBondContact O-CB 3.27Å; T209-A394 PolarHBondContact O-N 3.19Å; I210-A394 HydrophobicContact CG1-CB 4.37Å; A394-M398 WeakPolarHBondContact O-CG 3.39Å; A394-M398 PolarHBondContact O-N 3.2Å
395R94.2Very high93Very high187 Ų18734.7 Ų34.771%0.70617%0.165SC*.Hα-helixtrans-71.8-44.2177.2-177.9-180175.5177.20.5111.7D393 I397 M398 Q399D393-R395 PolarHBondContact O-N 2.83Å; D393-R395 VanDerWaalsContact O-N 3.07Å; D393-R395 PolarHBondContact OD1-N 3.11Å; R395-I397 VanDerWaalsContact C-N 3.31Å; R395-I397 PolarHBondContact O-N 3.26Å; R395-M398 PolarHBondContact O-N 3.19Å; R395-Q399 WeakPolarHBondContact O-CB 3.4Å; R395-Q399 PolarHBondContact O-N 2.97Å
396G95.4Very high93.3Very high2 Ų230.2 Ų30.22%0.02115%0.148CC..Hα-helixtrans-60.2-40.7175.800000112.4M181 D393 Q399 L400M181-G396 WeakPolarHBondContact CG-O 3.43Å; D393-G396 PolarHBondContact O-N 2.83Å; D393-G396 PolarHBondContact OD1-N 3.34Å; G396-Q399 PolarHBondContact O-N 3.05Å; G396-L400 PolarHBondContact O-N 2.83Å
397I96.7Very high93.6Very high0 Ų033.8 Ų33.80%016%0.163CC..Hα-helixtrans-62.2-50.9177.3-60163.9000111.2Y179 T202 A392 D393 R395 Q399 L400 I401 L422Y179-I397 VanDerWaalsContact OH-CA 3.29Å; Y179-I397 WeakPolarHBondContact OH-CA 3.49Å; Y179-I397 WeakPolarHBondContact OH-CG1 3.25Å; T202-I397 HydrophobicContact CG2-CG2 4.35Å; A392-I397 HydrophobicContact CB-CG1 3.76Å; D393-I397 WeakPolarHBondContact O-CG1 3.26Å; D393-I397 PolarHBondContact O-N 2.94Å; R395-I397 VanDerWaalsContact C-N 3.31Å; R395-I397 PolarHBondContact O-N 3.26Å; I397-Q399 VanDerWaalsContact C-N 3.29Å; I397-Q399 PolarHBondContact O-N 2.85Å; I397-L400 PolarHBondContact O-N 3.21Å; I397-I401 HydrophobicContact CG2-CD1 3.92Å; I397-I401 WeakPolarHBondContact O-CG1 3.48Å; I397-I401 PolarHBondContact O-N 3.34Å; I397-I401 VanDerWaalsContact O-N 3.07Å; I397-L422 HydrophobicContact CD1-CD2 3.92Å; I397-L422 HydrophobicContact CG2-CD1 4.48Å; I397-L422 HydrophobicContact CG2-CD2 4.13Å
398M96.6Very high94.1Very high14 Ų1433.9 Ų33.97%0.06916%0.161CC..Hα-helixtrans-61.4-37.3177.5-61.3-62-77.300112.3A394 R395 I401 S402 L422 K425 I426 E429 F430A394-M398 WeakPolarHBondContact O-CG 3.39Å; A394-M398 PolarHBondContact O-N 3.2Å; R395-M398 PolarHBondContact O-N 3.19Å; M398-I401 PolarHBondContact O-N 2.95Å; M398-S402 WeakPolarHBondContact O-CB 3.5Å; M398-S402 PolarHBondContact O-N 2.97Å; M398-L422 HydrophobicContact SD-CD1 4.14Å; M398-K425 HydrophobicContact CE-CD 4.38Å; M398-K425 HydrophobicContact CE-CG 4Å; M398-K425 HydrophobicContact SD-CD 4.5Å; M398-K425 HydrophobicContact SD-CG 4.48Å; M398-I426 HydrophobicContact CE-CG1 4.48Å; M398-I426 HydrophobicContact SD-CG1 3.67Å; M398-E429 HydrophobicContact CE-CB 3.79Å; M398-E429 HydrophobicContact CE-CG 4.02Å; M398-E429 WeakPolarHBondContact CE-OE2 3.3Å; M398-F430 HydrophobicContact CB-CE2 4.47Å; M398-F430 HydrophobicContact CB-CZ 4.39Å; M398-F430 HydrophobicContact CE-CD2 3.94Å; M398-F430 HydrophobicContact CE-CE2 3.25Å; M398-F430 HydrophobicContact CE-CZ 3.87Å; M398-F430 WeakPolarHBondContact O-CZ 3.3Å; M398-F430 HydrophobicContact SD-CE2 3.78Å
399Q96.4Very high94.7Very high105 Ų10533.6 Ų33.649%0.49116%0.16SC..Hα-helixtrans-62.7-43.2176.3-175.4-177.7-3.800112M181 R395 G396 I397 H403M181-Q399 HydrophobicContact CE-CB 4.2Å; M181-Q399 HydrophobicContact CE-CG 3.8Å; R395-Q399 WeakPolarHBondContact O-CB 3.4Å; R395-Q399 PolarHBondContact O-N 2.97Å; G396-Q399 PolarHBondContact O-N 3.05Å; I397-Q399 VanDerWaalsContact C-N 3.29Å; I397-Q399 PolarHBondContact O-N 2.85Å; Q399-H403 WeakPolarHBondContact O-CB 3.35Å; Q399-H403 PolarHBondContact O-N 3.21Å
400L97.1Very high95.4Very high2 Ų233.2 Ų33.21%0.0116%0.157CC..Hα-helixtrans-66.3-43.6178.4-173.167.8000111.3M163 T176 Y179 M181 V192 G396 I397 S402 H403 C404M163-L400 HydrophobicContact SD-CD2 4.11Å; T176-L400 HydrophobicContact CG2-CD2 3.74Å; Y179-L400 HydrophobicContact CD2-CD2 4.06Å; Y179-L400 HydrophobicContact CE1-CD2 4.18Å; Y179-L400 HydrophobicContact CE2-CB 4.05Å; Y179-L400 HydrophobicContact CE2-CD2 3.48Å; Y179-L400 VanDerWaalsContact CE2-CD2 3.48Å; Y179-L400 HydrophobicContact CE2-CG 4.32Å; M181-L400 HydrophobicContact CE-CB 4.37Å; M181-L400 HydrophobicContact CE-CD1 4.46Å; M181-L400 HydrophobicContact SD-CB 4.17Å; M181-L400 HydrophobicContact SD-CD1 4.17Å; V192-L400 HydrophobicContact CG1-CD1 3.76Å; G396-L400 PolarHBondContact O-N 2.83Å; I397-L400 PolarHBondContact O-N 3.21Å; L400-S402 PolarHBondContact O-N 3.45Å; L400-H403 PolarHBondContact O-N 3.03Å; L400-C404 WeakPolarHBondContact O-CB 3.13Å; L400-C404 PolarHBondContact O-N 3.34Å; L400-C404 PolarHBondContact O-SG 2.75Å
401I97.5Very high96.1Very high1 Ų132.7 Ų32.71%0.00515%0.153CC..Hα-helixtrans-58.7-49.1176.6-65.9167.3000110.4L200 I397 M398 H403 C404 Q405 P406 V409 I426 F430 L432L200-I401 HydrophobicContact CD2-CG1 3.81Å; I397-I401 HydrophobicContact CG2-CD1 3.92Å; I397-I401 WeakPolarHBondContact O-CG1 3.48Å; I397-I401 PolarHBondContact O-N 3.34Å; I397-I401 VanDerWaalsContact O-N 3.07Å; M398-I401 PolarHBondContact O-N 2.95Å; I401-H403 VanDerWaalsContact C-N 3.32Å; I401-H403 PolarHBondContact O-N 3Å; I401-C404 PolarHBondContact O-N 3.37Å; I401-Q405 PolarHBondContact O-N 3.43Å; I401-P406 HydrophobicContact CG2-CG 4.21Å; I401-P406 VanDerWaalsContact O-CD 3.26Å; I401-P406 WeakPolarHBondContact O-CD 3.39Å; I401-V409 HydrophobicContact CD1-CG1 4.2Å; I401-V409 HydrophobicContact CD1-CG2 4.35Å; I401-V409 HydrophobicContact CG1-CG2 4.34Å; I401-V409 HydrophobicContact CG2-CG2 4.15Å; I401-I426 HydrophobicContact CD1-CD1 3.51Å; I401-I426 HydrophobicContact CD1-CG1 3.7Å; I401-I426 HydrophobicContact CD1-CG2 4.42Å; I401-F430 HydrophobicContact CB-CD2 4.5Å; I401-F430 HydrophobicContact CB-CE2 3.92Å; I401-F430 HydrophobicContact CB-CZ 4.28Å; I401-F430 HydrophobicContact CG2-CD2 3.64Å; I401-F430 HydrophobicContact CG2-CE2 3.54Å; I401-F430 HydrophobicContact CG2-CG 4.2Å; I401-F430 HydrophobicContact CG2-CZ 4.08Å; I401-L432 HydrophobicContact CG2-CD1 4.2Å
402S97Very high96.4Very high69 Ų6931.6 Ų31.648%0.48315%0.148SC..Hα-helixtrans-58.6-41.8178-177.80000112.6M398 L400 Q405M398-S402 WeakPolarHBondContact O-CB 3.5Å; M398-S402 PolarHBondContact O-N 2.97Å; L400-S402 PolarHBondContact O-N 3.45Å; S402-Q405 WeakPolarHBondContact O-CG 3.47Å
403H96.7Very high96.5Very high66 Ų6631.6 Ų31.631%0.30615%0.148SC..Hα-helixtrans-70.1-42.7179.6176.775.3000112.9V192 Q399 L400 I401V192-H403 PolarHBondContact O-NE2 2.88Å; Q399-H403 WeakPolarHBondContact O-CB 3.35Å; Q399-H403 PolarHBondContact O-N 3.21Å; L400-H403 PolarHBondContact O-N 3.03Å; I401-H403 VanDerWaalsContact C-N 3.32Å; I401-H403 PolarHBondContact O-N 3Å
404C96.8Very high96.6Very high0 Ų030.8 Ų30.80%014%0.144CC..Hα-helixtrans-74.2-31.4-177.7-63.60000112.6V192 R196 L400 I401V192-C404 WeakPolarHBondContact CG1-SG 3.36Å; R196-C404 WeakPolarHBondContact CA-O 3.21Å; R196-C404 PolarHBondContact N-O 3.49Å; R196-C404 VanDerWaalsContact N-O 3.08Å; L400-C404 WeakPolarHBondContact O-CB 3.13Å; L400-C404 PolarHBondContact O-N 3.34Å; L400-C404 PolarHBondContact O-SG 2.75Å; I401-C404 PolarHBondContact O-N 3.37Å
405Q96.8Very high96.5Very high86 Ų8634.1 Ų34.140%0.40216%0.159SC..  trans51.256.6-173.5-55.8-177.3-39.400112.4R196 I401 S402R196-Q405 HydrophobicContact CG-CB 4.17Å; I401-Q405 PolarHBondContact O-N 3.43Å; S402-Q405 WeakPolarHBondContact O-CG 3.47Å
406P97.2Very high96.5Very high3 Ų326.7 Ų26.72%0.01914%0.138CC..  trans-69.8156.6-179.633.2-36.3000111.5P197 L200 I401 V409 L432P197-P406 HydrophobicContact CG-CB 4.03Å; P197-P406 CarbonylContact O-C 3.43Å; P197-P406 VanDerWaalsContact O-CA 3.24Å; P197-P406 WeakPolarHBondContact O-CA 3.43Å; L200-P406 HydrophobicContact CB-CB 3.69Å; L200-P406 HydrophobicContact CB-CG 3.95Å; L200-P406 HydrophobicContact CD2-CG 4.07Å; I401-P406 HydrophobicContact CG2-CG 4.21Å; I401-P406 VanDerWaalsContact O-CD 3.26Å; I401-P406 WeakPolarHBondContact O-CD 3.39Å; P406-V409 HydrophobicContact CG-CG2 3.67Å; P406-L432 HydrophobicContact CG-CD1 4.22Å; P406-L432 WeakPolarHBondContact O-CD1 3.48Å; P406-L432 VanDerWaalsContact O-CD2 3.3Å; P406-L432 WeakPolarHBondContact O-CD2 3.42Å
407K96.5Very high96.5Very high81 Ų8133.5 Ų33.535%0.35217%0.172SC..SBendtrans-78.6-29.5171.8-59.4-177.2-171.2163.40112.6P197 D198 P433P197-K407 PolarHBondContact O-N 2.78Å; D198-K407 WeakPolarHBondContact OD1-CD 3.42Å; D198-K407 WeakPolarHBondContact OD1-CE 3.44Å; D198-K407 IonicContact OD1-NZ 3.96Å; D198-K407 PolarHBondContact OD1-NZ 3.42Å; K407-P433 VanDerWaalsContact O-CD 3.31Å; K407-P433 WeakPolarHBondContact O-CD 3.22Å; K407-P433 WeakPolarHBondContact O-CG 3.48Å
408H97.9Very high96.4Very high23 Ų2336.1 Ų36.111%0.10618%0.183CC..EExtended strand (participates in β ladder)trans-142.5143.5177.6-162107.5000110.6D198 L199 L200 P433 S435 I445D198-H408 WeakPolarHBondContact O-CB 3.26Å; D198-H408 PolarHBondContact O-N 3.36Å; L199-H408 WeakPolarHBondContact CA-O 3.46Å; L199-H408 HydrophobicContact CD1-CB 4.08Å; L200-H408 PolarHBondContact N-O 3.2Å; H408-P433 HydrophobicContact CB-CG 4.27Å; H408-P433 WeakPolarHBondContact ND1-CB 3.39Å; H408-P433 WeakPolarHBondContact ND1-CG 3.48Å; H408-S435 PolarHBondContact CE1-OG 3.1Å; H408-S435 PolarHBondContact NE2-OG 3.02Å; H408-I445 HydrophobicContact CB-CG2 3.77Å; H408-I445 WeakPolarHBondContact NE2-CD1 3.29Å
409V98.4Very high96.4Very high0 Ų035.4 Ų35.40%018%0.18CC..EExtended strand (participates in β ladder)trans-113.6135.8174.8-178.40000110.4L200 T202 I401 P406 L411 I426 P433 C434 S435L200-V409 CarbonylContact O-C 3.16Å; L200-V409 WeakPolarHBondContact O-CA 3.13Å; T202-V409 HydrophobicContact CG2-CG1 4.01Å; I401-V409 HydrophobicContact CD1-CG1 4.2Å; I401-V409 HydrophobicContact CD1-CG2 4.35Å; I401-V409 HydrophobicContact CG1-CG2 4.34Å; I401-V409 HydrophobicContact CG2-CG2 4.15Å; P406-V409 HydrophobicContact CG-CG2 3.67Å; V409-L411 HydrophobicContact CG1-CD2 4.16Å; V409-I426 HydrophobicContact CB-CG2 4.39Å; V409-I426 HydrophobicContact CG1-CD1 4.18Å; V409-I426 HydrophobicContact CG2-CG2 4.24Å; V409-P433 PolarHBondContact N-O 3.28Å; V409-C434 CarbonylContact O-C 3.55Å; V409-C434 VanDerWaalsContact O-CA 3.25Å; V409-C434 WeakPolarHBondContact O-CA 3.29Å; V409-S435 PolarHBondContact O-N 3.06Å
410M98.6Very high96.4Very high0 Ų033.5 Ų33.50%017%0.173CC..EExtended strand (participates in β ladder)trans-120.9124171.2179.2174.5-65.900110.2V6 L199 L200 I201 T202 V412 S435 P437 V443V6-M410 HydrophobicContact CB-CE 3.79Å; V6-M410 HydrophobicContact CB-SD 4.12Å; V6-M410 HydrophobicContact CG1-CE 3.92Å; V6-M410 HydrophobicContact CG1-SD 3.54Å; V6-M410 VanDerWaalsContact CG1-SD 3.54Å; V6-M410 HydrophobicContact CG2-CE 4.13Å; L199-M410 HydrophobicContact CD1-CB 3.9Å; L200-M410 PolarHBondContact O-N 3.26Å; I201-M410 WeakPolarHBondContact CA-O 3.23Å; I201-M410 HydrophobicContact CG1-CB 4.3Å; T202-M410 PolarHBondContact N-O 3.15Å; M410-V412 HydrophobicContact CG-CG1 4.26Å; M410-S435 CarbonylContact C-O 3.54Å; M410-S435 VanDerWaalsContact CA-O 3.32Å; M410-S435 WeakPolarHBondContact CA-O 3.49Å; M410-P437 HydrophobicContact CE-CG 4.01Å; M410-P437 HydrophobicContact CG-CG 4.17Å; M410-P437 HydrophobicContact SD-CG 3.76Å; M410-V443 HydrophobicContact CE-CB 3.91Å; M410-V443 HydrophobicContact CE-CG1 4.08Å; M410-V443 HydrophobicContact CE-CG2 4.16Å
411L98.4Very high96.4Very high0 Ų038.9 Ų38.90%020%0.197CC..EExtended strand (participates in β ladder)trans-89.3127.5175.5-55.1-178.6000109.7T202 V409 M419 L422 K423 I426 S435 K436T202-L411 HydrophobicContact CG2-CD2 3.69Å; V409-L411 HydrophobicContact CG1-CD2 4.16Å; L411-M419 HydrophobicContact CB-CE 4.28Å; L411-M419 HydrophobicContact CB-CG 4.35Å; L411-M419 HydrophobicContact CB-SD 4.43Å; L411-M419 HydrophobicContact CD1-CB 4.26Å; L411-L422 HydrophobicContact CD1-CB 4.18Å; L411-L422 HydrophobicContact CD1-CD2 4.02Å; L411-L422 HydrophobicContact CD1-CG 4.06Å; L411-L422 HydrophobicContact CD2-CD2 3.83Å; L411-L422 HydrophobicContact CD2-CG 4.37Å; L411-K423 HydrophobicContact CD1-CB 4.11Å; L411-I426 HydrophobicContact CD2-CD1 3.91Å; L411-S435 PolarHBondContact N-O 3.25Å; L411-K436 HydrophobicContact CB-CB 4.15Å
412V98Very high96.3Very high4 Ų438.9 Ų38.92%0.02420%0.196CC..EExtended strand (participates in β ladder)trans-131.4175.3170.7-61.50000108.9I20 I201 T202 E203 S204 M410 M419I20-V412 HydrophobicContact CD1-CB 4.27Å; I20-V412 HydrophobicContact CD1-CG1 3.78Å; I20-V412 HydrophobicContact CG1-CG1 4.37Å; I201-V412 HydrophobicContact CG2-CG1 3.92Å; I201-V412 HydrophobicContact CG2-CG2 3.73Å; T202-V412 PolarHBondContact O-N 3.44Å; E203-V412 CarbonylContact C-O 3.57Å; E203-V412 WeakPolarHBondContact CA-O 2.84Å; S204-V412 PolarHBondContact N-O 2.85Å; S204-V412 PolarHBondContact OG-O 3.34Å; M410-V412 HydrophobicContact CG-CG1 4.26Å; V412-M419 VanDerWaalsContact CA-CE 3.42Å; V412-M419 WeakPolarHBondContact O-CE 3.44Å
413H95.3Very high96.4Very high2 Ų238.5 Ų38.51%0.00919%0.186CC..SBendtrans53.767.7173.3-153.6-119.4000113A11 D14 G16 S18 D72 H73 D178 E203 S204 T205A11-H413 HydrophobicContact CB-CB 4.29Å; A11-H413 PolarHBondContact O-N 3.13Å; D14-H413 CarbonylContact O-C 3.32Å; D14-H413 WeakPolarHBondContact O-CA 3.43Å; G16-H413 PolarHBondContact N-NE2 3.11Å; S18-H413 PolarHBondContact OG-CD2 2.8Å; D72-H413 IonicContact OD2-CE1 3.94Å; D72-H413 IonicContact OD2-NE2 3.36Å; D72-H413 PolarHBondContact OD2-NE2 3.2Å; H73-H413 AromaticContact NE2-CE1 3.66Å; H73-H413 AromaticContact NE2-NE2 3.78Å; D178-H413 IonicContact OD1-CE1 3.04Å; D178-H413 IonicContact OD1-ND1 3.96Å; D178-H413 PolarHBondContact OD1-ND1 2.74Å; D178-H413 IonicContact OD2-CE1 3.19Å; D178-H413 IonicContact OD2-ND1 3.56Å; E203-H413 HydrophobicContact CB-CB 4.15Å; S204-H413 CarbonylContact C-O 3.53Å; S204-H413 VanDerWaalsContact C-O 3.26Å; S204-H413 PolarHBondContact N-O 2.97Å; S204-H413 PolarHBondContact OG-O 3.2Å; T205-H413 PolarHBondContact N-O 3.26Å; T205-H413 PolarHBondContact OG1-ND1 3.06Å; T205-H413 PolarHBondContact OG1-O 2.93Å
414G93.7Very high96.4Very high0 Ų038.6 Ų38.60%019%0.194CC..SBendtrans175.4153.3-174.600000112.9Q13 D14 S204 M419Q13-G414 CarbonylContact C-O 3.58Å; Q13-G414 VanDerWaalsContact CA-O 3.31Å; Q13-G414 WeakPolarHBondContact CA-O 3.44Å; D14-G414 PolarHBondContact N-O 2.79Å; D14-G414 VanDerWaalsContact N-O 3.09Å; D14-G414 PolarHBondContact O-N 3.48Å; S204-G414 WeakPolarHBondContact OG-CA 3.38Å; G414-M419 VanDerWaalsContact O-CE 3.28Å; G414-M419 WeakPolarHBondContact O-CE 3.5Å
415E91.7Very high96.4Very high72 Ų7240.9 Ų40.934%0.33620%0.204SC..  trans-70.4137.3-178.2-64.6163.6-150.700111.6Y353 I417 K418 M419Y353-E415 PolarHBondContact OH-OE1 2.94Å; E415-I417 VanDerWaalsContact C-N 3.33Å; E415-I417 PolarHBondContact O-N 3.48Å; E415-I417 VanDerWaalsContact O-N 3.14Å; E415-K418 HydrophobicContact CB-CD 4.27Å; E415-K418 HydrophobicContact CB-CG 4.43Å; E415-K418 PolarHBondContact O-N 2.87Å; E415-K418 IonicContact OE1-NZ 3.54Å; E415-K418 PolarHBondContact OE1-NZ 3.36Å; E415-K418 WeakPolarHBondContact OE2-CE 3.49Å; E415-K418 IonicContact OE2-NZ 2.83Å; E415-K418 PolarHBondContact OE2-NZ 3.23Å; E415-M419 PolarHBondContact O-N 2.87Å
416A94.1Very high96.4Very high31 Ų3136.8 Ų36.826%0.25619%0.185SC..Hα-helixtrans-43.9-51.1-176.200000114.5Q13 K418 M419 D420Q13-A416 HydrophobicContact CB-CB 3.97Å; Q13-A416 HydrophobicContact CG-CB 4.35Å; A416-K418 VanDerWaalsContact C-N 3.35Å; A416-K418 PolarHBondContact O-N 2.68Å; A416-M419 WeakPolarHBondContact O-CB 3.38Å; A416-M419 PolarHBondContact O-N 3.04Å; A416-D420 PolarHBondContact O-N 2.75Å
417I95.3Very high96.5Very high144 Ų14440 Ų4074%0.73820%0.2SC*.Hα-helixtrans-64.9-39.2-177-60.9172.5000111.3E415 D420E415-I417 VanDerWaalsContact C-N 3.33Å; E415-I417 PolarHBondContact O-N 3.48Å; E415-I417 VanDerWaalsContact O-N 3.14Å; I417-D420 PolarHBondContact O-N 3.27Å
418K94.5Very high96.5Very high55 Ų5544.2 Ų44.224%0.23922%0.221CC..Hα-helixtrans-71.5-36.9179-67.4178.4-179.2152.20110.7A207 T208 E415 A416 D420 F421 L422A207-K418 HydrophobicContact CB-CB 4.04Å; A207-K418 WeakPolarHBondContact CB-O 3.28Å; T208-K418 HydrophobicContact CG2-CB 4.03Å; T208-K418 HydrophobicContact CG2-CG 4.06Å; E415-K418 HydrophobicContact CB-CD 4.27Å; E415-K418 HydrophobicContact CB-CG 4.43Å; E415-K418 PolarHBondContact O-N 2.87Å; E415-K418 IonicContact OE1-NZ 3.54Å; E415-K418 PolarHBondContact OE1-NZ 3.36Å; E415-K418 WeakPolarHBondContact OE2-CE 3.49Å; E415-K418 IonicContact OE2-NZ 2.83Å; E415-K418 PolarHBondContact OE2-NZ 3.23Å; A416-K418 VanDerWaalsContact C-N 3.35Å; A416-K418 PolarHBondContact O-N 2.68Å; K418-D420 VanDerWaalsContact C-N 3.35Å; K418-F421 PolarHBondContact O-N 2.96Å; K418-L422 PolarHBondContact O-N 3.08Å
419M96.5Very high96.4Very high0 Ų048.4 Ų48.40%024%0.24CC..Hα-helixtrans-62.5-38.6173-71.3179.9160.900112.4Q13 S204 L411 V412 G414 E415 A416 F421 L422 K423 K436Q13-M419 HydrophobicContact CB-SD 4.35Å; Q13-M419 HydrophobicContact CG-SD 4.05Å; S204-M419 WeakPolarHBondContact OG-CE 3.35Å; S204-M419 WeakPolarHBondContact OG-CG 3.34Å; L411-M419 HydrophobicContact CB-CE 4.28Å; L411-M419 HydrophobicContact CB-CG 4.35Å; L411-M419 HydrophobicContact CB-SD 4.43Å; L411-M419 HydrophobicContact CD1-CB 4.26Å; V412-M419 VanDerWaalsContact CA-CE 3.42Å; V412-M419 WeakPolarHBondContact O-CE 3.44Å; G414-M419 VanDerWaalsContact O-CE 3.28Å; G414-M419 WeakPolarHBondContact O-CE 3.5Å; E415-M419 PolarHBondContact O-N 2.87Å; A416-M419 WeakPolarHBondContact O-CB 3.38Å; A416-M419 PolarHBondContact O-N 3.04Å; M419-F421 VanDerWaalsContact C-N 3.31Å; M419-F421 PolarHBondContact O-N 2.71Å; M419-L422 PolarHBondContact O-N 3.02Å; M419-K423 VanDerWaalsContact O-CB 3.28Å; M419-K423 WeakPolarHBondContact O-CB 3.34Å; M419-K423 PolarHBondContact O-N 3.44Å; M419-K436 HydrophobicContact CB-CB 4.25Å; M419-K436 HydrophobicContact CB-CD 3.93Å; M419-K436 HydrophobicContact SD-CB 4.08Å
420D97Very high96.4Very high65 Ų6551.3 Ų51.335%0.34825%0.253SS..Hα-helixtrans-58.1-43.3177.2-80.6-48.8000112.6A416 I417 K418 S424 K436A416-D420 PolarHBondContact O-N 2.75Å; I417-D420 PolarHBondContact O-N 3.27Å; K418-D420 VanDerWaalsContact C-N 3.35Å; D420-S424 PolarHBondContact O-N 2.97Å; D420-S424 VanDerWaalsContact O-N 3.11Å; D420-S424 PolarHBondContact O-OG 3.4Å; D420-K436 WeakPolarHBondContact OD1-CE 3.43Å; D420-K436 IonicContact OD1-NZ 3.75Å; D420-K436 PolarHBondContact OD1-NZ 3.15Å; D420-K436 IonicContact OD2-NZ 3.67Å; D420-K436 PolarHBondContact OD2-NZ 3.2Å
421F96.1Very high96.3Very high115 Ų11554.5 Ų54.550%0.50429%0.286SS..Hα-helixtrans-62.3-48.5176.7177.6-93000111.8T208 K418 M419 S424 K425T208-F421 HydrophobicContact CG2-CB 3.86Å; T208-F421 HydrophobicContact CG2-CD1 3.7Å; T208-F421 HydrophobicContact CG2-CE1 4.49Å; T208-F421 HydrophobicContact CG2-CG 3.89Å; K418-F421 PolarHBondContact O-N 2.96Å; M419-F421 VanDerWaalsContact C-N 3.31Å; M419-F421 PolarHBondContact O-N 2.71Å; F421-S424 PolarHBondContact O-N 3.42Å; F421-K425 HydrophobicContact CE1-CD 4.49Å; F421-K425 WeakPolarHBondContact O-CB 2.98Å; F421-K425 PolarHBondContact O-N 2.81Å; F421-K425 VanDerWaalsContact O-N 3.1Å
422L96.6Very high96.1Very high0 Ų056.3 Ų56.30%030%0.296CS..Hα-helixtrans-68.8-38.8-178.9176.565.5000112.3A207 I397 M398 L411 K418 M419 K425 I426A207-L422 HydrophobicContact CB-CB 3.71Å; A207-L422 HydrophobicContact CB-CD2 3.73Å; A207-L422 HydrophobicContact CB-CG 4.32Å; I397-L422 HydrophobicContact CD1-CD2 3.92Å; I397-L422 HydrophobicContact CG2-CD1 4.48Å; I397-L422 HydrophobicContact CG2-CD2 4.13Å; M398-L422 HydrophobicContact SD-CD1 4.14Å; L411-L422 HydrophobicContact CD1-CB 4.18Å; L411-L422 HydrophobicContact CD1-CD2 4.02Å; L411-L422 HydrophobicContact CD1-CG 4.06Å; L411-L422 HydrophobicContact CD2-CD2 3.83Å; L411-L422 HydrophobicContact CD2-CG 4.37Å; K418-L422 PolarHBondContact O-N 3.08Å; M419-L422 PolarHBondContact O-N 3.02Å; L422-K425 WeakPolarHBondContact O-CB 3.43Å; L422-K425 PolarHBondContact O-N 3.28Å; L422-I426 HydrophobicContact CD1-CD1 4.04Å; L422-I426 HydrophobicContact CD1-CG1 4.19Å; L422-I426 HydrophobicContact CD2-CD1 4.45Å; L422-I426 HydrophobicContact CG-CD1 3.79Å; L422-I426 HydrophobicContact CG-CG1 4.39Å; L422-I426 VanDerWaalsContact O-CG1 3.28Å; L422-I426 WeakPolarHBondContact O-CG1 3Å; L422-I426 PolarHBondContact O-N 3.12Å
423K97.8Very high96.1Very high61 Ų6159.2 Ų59.227%0.26532%0.315SS..Hα-helixtrans-54.7-54.5173.4-179.3-162.7162.8-173.40110.6L411 M419 K425 I426 E427 C434 K436L411-K423 HydrophobicContact CD1-CB 4.11Å; M419-K423 VanDerWaalsContact O-CB 3.28Å; M419-K423 WeakPolarHBondContact O-CB 3.34Å; M419-K423 PolarHBondContact O-N 3.44Å; K423-K425 PolarHBondContact O-N 2.86Å; K423-I426 PolarHBondContact O-N 2.65Å; K423-I426 VanDerWaalsContact O-N 3.14Å; K423-E427 VanDerWaalsContact CE-CD 3.45Å; K423-E427 WeakPolarHBondContact CE-OE1 3.49Å; K423-E427 WeakPolarHBondContact CE-OE2 3.31Å; K423-E427 IonicContact NZ-OE1 3.97Å; K423-E427 WeakPolarHBondContact O-CG 2.83Å; K423-E427 PolarHBondContact O-N 3.14Å; K423-C434 WeakPolarHBondContact CE-O 3.41Å; K423-C434 HydrophobicContact CG-CB 3.77Å; K423-K436 HydrophobicContact CD-CG 4.3Å
424S97.4Very high96.2Very high68 Ų6859.4 Ų59.448%0.47632%0.316SS..Hα-helixtrans-57.5-40.3-179.9-54.40000111.4D420 F421 Q428D420-S424 PolarHBondContact O-N 2.97Å; D420-S424 VanDerWaalsContact O-N 3.11Å; D420-S424 PolarHBondContact O-OG 3.4Å; F421-S424 PolarHBondContact O-N 3.42Å; S424-Q428 VanDerWaalsContact O-CB 3.31Å; S424-Q428 WeakPolarHBondContact O-CB 3.26Å; S424-Q428 PolarHBondContact O-N 2.94Å
425K96.5Very high96.4Very high48 Ų4860.5 Ų60.521%0.20932%0.324CS..Hα-helixtrans-65.8-42.9177.3-170.3179.1-179.7178.20113M398 F421 L422 K423 Q428 E429M398-K425 HydrophobicContact CE-CD 4.38Å; M398-K425 HydrophobicContact CE-CG 4Å; M398-K425 HydrophobicContact SD-CD 4.5Å; M398-K425 HydrophobicContact SD-CG 4.48Å; F421-K425 HydrophobicContact CE1-CD 4.49Å; F421-K425 WeakPolarHBondContact O-CB 2.98Å; F421-K425 PolarHBondContact O-N 2.81Å; F421-K425 VanDerWaalsContact O-N 3.1Å; L422-K425 WeakPolarHBondContact O-CB 3.43Å; L422-K425 PolarHBondContact O-N 3.28Å; K423-K425 PolarHBondContact O-N 2.86Å; K425-Q428 PolarHBondContact O-N 3.11Å; K425-E429 WeakPolarHBondContact CE-OE1 3.12Å; K425-E429 HydrophobicContact CG-CG 4.46Å; K425-E429 IonicContact NZ-OE1 2.86Å; K425-E429 WeakPolarHBondContact O-CB 3.4Å; K425-E429 PolarHBondContact O-N 3.47Å
426I97.6Very high96.7Very high0 Ų059 Ų590%032%0.316CS..Hα-helixtrans-63-47177.5-70.8164.5000110.6M398 I401 V409 L411 L422 K423 Q428 F430 C434M398-I426 HydrophobicContact CE-CG1 4.48Å; M398-I426 HydrophobicContact SD-CG1 3.67Å; I401-I426 HydrophobicContact CD1-CD1 3.51Å; I401-I426 HydrophobicContact CD1-CG1 3.7Å; I401-I426 HydrophobicContact CD1-CG2 4.42Å; V409-I426 HydrophobicContact CB-CG2 4.39Å; V409-I426 HydrophobicContact CG1-CD1 4.18Å; V409-I426 HydrophobicContact CG2-CG2 4.24Å; L411-I426 HydrophobicContact CD2-CD1 3.91Å; L422-I426 HydrophobicContact CD1-CD1 4.04Å; L422-I426 HydrophobicContact CD1-CG1 4.19Å; L422-I426 HydrophobicContact CD2-CD1 4.45Å; L422-I426 HydrophobicContact CG-CD1 3.79Å; L422-I426 HydrophobicContact CG-CG1 4.39Å; L422-I426 VanDerWaalsContact O-CG1 3.28Å; L422-I426 WeakPolarHBondContact O-CG1 3Å; L422-I426 PolarHBondContact O-N 3.12Å; K423-I426 PolarHBondContact O-N 2.65Å; K423-I426 VanDerWaalsContact O-N 3.14Å; I426-Q428 VanDerWaalsContact C-N 3.32Å; I426-Q428 PolarHBondContact O-N 3.33Å; I426-F430 HydrophobicContact CG2-CD2 4.2Å; I426-F430 WeakPolarHBondContact O-CB 3.19Å; I426-F430 PolarHBondContact O-N 3.11Å; I426-C434 HydrophobicContact CG2-CB 4.15Å
427E97.9Very high96.8Very high72 Ų7257.6 Ų57.634%0.33630%0.304SS..Hα-helixtrans-61.4-42.2178.8-71.3174.6157.700111.1K423 G431 L432 C434K423-E427 VanDerWaalsContact CE-CD 3.45Å; K423-E427 WeakPolarHBondContact CE-OE1 3.49Å; K423-E427 WeakPolarHBondContact CE-OE2 3.31Å; K423-E427 IonicContact NZ-OE1 3.97Å; K423-E427 WeakPolarHBondContact O-CG 2.83Å; K423-E427 PolarHBondContact O-N 3.14Å; E427-G431 VanDerWaalsContact O-CA 3.26Å; E427-G431 WeakPolarHBondContact O-CA 3.24Å; E427-G431 PolarHBondContact O-N 2.9Å; E427-L432 WeakPolarHBondContact CG-O 3.44Å; E427-C434 HydrophobicContact CG-CB 3.88Å
428Q97.2Very high96.9Very high169 Ų16952.3 Ų52.379%0.7928%0.282SS*.Hα-helixtrans-69.9-45.5179.4-174.2-178.66.300113.5S424 K425 I426S424-Q428 VanDerWaalsContact O-CB 3.31Å; S424-Q428 WeakPolarHBondContact O-CB 3.26Å; S424-Q428 PolarHBondContact O-N 2.94Å; K425-Q428 PolarHBondContact O-N 3.11Å; I426-Q428 VanDerWaalsContact C-N 3.32Å; I426-Q428 PolarHBondContact O-N 3.33Å
429E96.6Very high96.9Very high111 Ų11152 Ų5252%0.51928%0.283SS..Hα-helixtrans-80.8-32.9-173.8-73-172.9-156.900113.3M398 K425M398-E429 HydrophobicContact CE-CB 3.79Å; M398-E429 HydrophobicContact CE-CG 4.02Å; M398-E429 WeakPolarHBondContact CE-OE2 3.3Å; K425-E429 WeakPolarHBondContact CE-OE1 3.12Å; K425-E429 HydrophobicContact CG-CG 4.46Å; K425-E429 IonicContact NZ-OE1 2.86Å; K425-E429 WeakPolarHBondContact O-CB 3.4Å; K425-E429 PolarHBondContact O-N 3.47Å
430F96.8Very high96.8Very high61 Ų6152.7 Ų52.727%0.26829%0.29SS..Hα-helixtrans-110.1-14.6-175.6-58.9-65000114.4M398 I401 I426 L432M398-F430 HydrophobicContact CB-CE2 4.47Å; M398-F430 HydrophobicContact CB-CZ 4.39Å; M398-F430 HydrophobicContact CE-CD2 3.94Å; M398-F430 HydrophobicContact CE-CE2 3.25Å; M398-F430 HydrophobicContact CE-CZ 3.87Å; M398-F430 WeakPolarHBondContact O-CZ 3.3Å; M398-F430 HydrophobicContact SD-CE2 3.78Å; I401-F430 HydrophobicContact CB-CD2 4.5Å; I401-F430 HydrophobicContact CB-CE2 3.92Å; I401-F430 HydrophobicContact CB-CZ 4.28Å; I401-F430 HydrophobicContact CG2-CD2 3.64Å; I401-F430 HydrophobicContact CG2-CE2 3.54Å; I401-F430 HydrophobicContact CG2-CG 4.2Å; I401-F430 HydrophobicContact CG2-CZ 4.08Å; I426-F430 HydrophobicContact CG2-CD2 4.2Å; I426-F430 WeakPolarHBondContact O-CB 3.19Å; I426-F430 PolarHBondContact O-N 3.11Å; F430-L432 HydrophobicContact CB-CB 4.27Å; F430-L432 HydrophobicContact CB-CD1 3.7Å; F430-L432 HydrophobicContact CB-CG 3.74Å; F430-L432 HydrophobicContact CG-CD1 4.35Å; F430-L432 PolarHBondContact O-N 3.44Å
431G96.5Very high96.7Very high67 Ų6754.1 Ų54.169%0.69130%0.295SS*.  trans64.724.2-173.400000113.4E427E427-G431 VanDerWaalsContact O-CA 3.26Å; E427-G431 WeakPolarHBondContact O-CA 3.24Å; E427-G431 PolarHBondContact O-N 2.9Å
432L95.1Very high96.7Very high38 Ų3851.6 Ų51.620%0.19929%0.288CS..  trans-101.4142.3-176.9-65.4173.8000111I401 P406 E427 F430I401-L432 HydrophobicContact CG2-CD1 4.2Å; P406-L432 HydrophobicContact CG-CD1 4.22Å; P406-L432 WeakPolarHBondContact O-CD1 3.48Å; P406-L432 VanDerWaalsContact O-CD2 3.3Å; P406-L432 WeakPolarHBondContact O-CD2 3.42Å; E427-L432 WeakPolarHBondContact CG-O 3.44Å; F430-L432 HydrophobicContact CB-CB 4.27Å; F430-L432 HydrophobicContact CB-CD1 3.7Å; F430-L432 HydrophobicContact CB-CG 3.74Å; F430-L432 HydrophobicContact CG-CD1 4.35Å; F430-L432 PolarHBondContact O-N 3.44Å
433P97.2Very high96.7Very high65 Ų6552.4 Ų52.442%0.42229%0.293SS..  trans-65.1135.4171.929.2-35000110.8K407 H408 V409K407-P433 VanDerWaalsContact O-CD 3.31Å; K407-P433 WeakPolarHBondContact O-CD 3.22Å; K407-P433 WeakPolarHBondContact O-CG 3.48Å; H408-P433 HydrophobicContact CB-CG 4.27Å; H408-P433 WeakPolarHBondContact ND1-CB 3.39Å; H408-P433 WeakPolarHBondContact ND1-CG 3.48Å; V409-P433 PolarHBondContact N-O 3.28Å
434C98.1Very high96.6Very high6 Ų655.1 Ų55.14%0.04131%0.307CS..EExtended strand (participates in β ladder)trans-130.2131.8-178.4-1700000111.5V409 K423 I426 E427V409-C434 CarbonylContact O-C 3.55Å; V409-C434 VanDerWaalsContact O-CA 3.25Å; V409-C434 WeakPolarHBondContact O-CA 3.29Å; K423-C434 WeakPolarHBondContact CE-O 3.41Å; K423-C434 HydrophobicContact CG-CB 3.77Å; I426-C434 HydrophobicContact CG2-CB 4.15Å; E427-C434 HydrophobicContact CG-CB 3.88Å
435S98Very high96.5Very high23 Ų2352.2 Ų52.216%0.16129%0.286CS..EExtended strand (participates in β ladder)trans-117.3150.6178.4-60.10000111H408 V409 M410 L411H408-S435 PolarHBondContact CE1-OG 3.1Å; H408-S435 PolarHBondContact NE2-OG 3.02Å; V409-S435 PolarHBondContact O-N 3.06Å; M410-S435 CarbonylContact C-O 3.54Å; M410-S435 VanDerWaalsContact CA-O 3.32Å; M410-S435 WeakPolarHBondContact CA-O 3.49Å; L411-S435 PolarHBondContact N-O 3.25Å
436K97.4Very high96.2Very high41 Ų4158.1 Ų58.118%0.17831%0.311CS..  trans-140.862.4174.854.8138.3-163.1162.50110.6Q13 L411 M419 D420 K423Q13-K436 WeakPolarHBondContact CG-O 3.33Å; Q13-K436 PolarHBondContact NE2-O 3.49Å; L411-K436 HydrophobicContact CB-CB 4.15Å; M419-K436 HydrophobicContact CB-CB 4.25Å; M419-K436 HydrophobicContact CB-CD 3.93Å; M419-K436 HydrophobicContact SD-CB 4.08Å; D420-K436 WeakPolarHBondContact OD1-CE 3.43Å; D420-K436 IonicContact OD1-NZ 3.75Å; D420-K436 PolarHBondContact OD1-NZ 3.15Å; D420-K436 IonicContact OD2-NZ 3.67Å; D420-K436 PolarHBondContact OD2-NZ 3.2Å; K423-K436 HydrophobicContact CD-CG 4.3Å
437P97.5Very high95.7Very high1 Ų158.5 Ų58.51%0.00631%0.314CS..PPolyproline II helixtrans-59.5142.7-171.422.8-31.6000112.5P8 G12 M410 E441 V443P8-P437 HydrophobicContact CG-CB 3.86Å; P8-P437 HydrophobicContact CG-CG 3.52Å; G12-P437 CarbonylContact C-O 3.55Å; G12-P437 WeakPolarHBondContact CA-O 3.34Å; M410-P437 HydrophobicContact CE-CG 4.01Å; M410-P437 HydrophobicContact CG-CG 4.17Å; M410-P437 HydrophobicContact SD-CG 3.76Å; P437-E441 WeakPolarHBondContact CA-OE2 3.38Å; P437-E441 HydrophobicContact CB-CB 3.97Å; P437-E441 HydrophobicContact CB-CG 4.26Å; P437-V443 HydrophobicContact CB-CG2 3.64Å; P437-V443 HydrophobicContact CG-CG2 3.89Å
438A97Very high94.8Very high32 Ų3261.6 Ų61.626%0.26433%0.328SS..PPolyproline II helixtrans-71165166.200000110.8G440 E441A438-G440 PolarHBondContact O-N 2.76Å; A438-E441 HydrophobicContact CB-CB 4.5Å; A438-E441 PolarHBondContact N-OE2 3.02Å; A438-E441 VanDerWaalsContact O-CB 3.3Å; A438-E441 WeakPolarHBondContact O-CB 3.42Å; A438-E441 PolarHBondContact O-N 3.02Å
439N94.9Very high93.5Very high48 Ų4860.3 Ų60.326%0.25732%0.322SS..THydrogen-bonded Turntrans-56.8131.3172.2-64-38.8000110.6P8 G10 A11 G12 R17 E441P8-N439 CarbonylContact O-C 2.98Å; P8-N439 WeakPolarHBondContact O-CA 3.31Å; G10-N439 WeakPolarHBondContact CA-OD1 3.16Å; A11-N439 PolarHBondContact N-OD1 3.23Å; G12-N439 VanDerWaalsContact CA-OD1 3.32Å; G12-N439 WeakPolarHBondContact CA-OD1 3.38Å; G12-N439 PolarHBondContact N-OD1 3.17Å; R17-N439 PolarHBondContact NH2-ND2 2.64Å; N439-E441 VanDerWaalsContact C-N 3.28Å; N439-E441 PolarHBondContact O-N 3.38Å
440G93.6Very high92.4Very high15 Ų1560.4 Ų60.416%0.15532%0.323CS..THydrogen-bonded Turntrans82.6-10.3-176.300000115.4P8 A438 V442P8-G440 PolarHBondContact O-N 3.4Å; A438-G440 PolarHBondContact O-N 2.76Å; G440-V442 PolarHBondContact O-N 2.94Å
441E95.6Very high91.6Very high96 Ų9663.4 Ų63.445%0.44934%0.336SS..  trans-77119.7178.2-171.6-174.6161.200110.9P8 P437 A438 N439P8-E441 WeakPolarHBondContact CD-O 3.33Å; P437-E441 WeakPolarHBondContact CA-OE2 3.38Å; P437-E441 HydrophobicContact CB-CB 3.97Å; P437-E441 HydrophobicContact CB-CG 4.26Å; A438-E441 HydrophobicContact CB-CB 4.5Å; A438-E441 PolarHBondContact N-OE2 3.02Å; A438-E441 VanDerWaalsContact O-CB 3.3Å; A438-E441 WeakPolarHBondContact O-CB 3.42Å; A438-E441 PolarHBondContact O-N 3.02Å; N439-E441 VanDerWaalsContact C-N 3.28Å; N439-E441 PolarHBondContact O-N 3.38Å
442V95.1Very high90.8Very high61 Ų6165 Ų6537%0.3733%0.327SS..  trans-86.6123.4179.7-174.10000110.1R5 I7 G440R5-V442 HydrophobicContact CG-CG1 3.64Å; I7-V442 HydrophobicContact CD1-CG2 3.99Å; I7-V442 HydrophobicContact CG1-CB 4.45Å; I7-V442 HydrophobicContact CG1-CG1 4.23Å; I7-V442 HydrophobicContact CG1-CG2 3.97Å; I7-V442 HydrophobicContact CG2-CG2 4.39Å; G440-V442 PolarHBondContact O-N 2.94Å
443V96.6Very high90.4Very high18 Ų1865.6 Ų65.611%0.10933%0.333CS..EExtended strand (participates in β ladder)trans-112.6132.6176.2-174.50000110.2R5 V6 M410 P437 I445R5-V443 WeakPolarHBondContact CA-O 3.37Å; V6-V443 PolarHBondContact N-O 3.07Å; V6-V443 PolarHBondContact O-N 3.49Å; M410-V443 HydrophobicContact CE-CB 3.91Å; M410-V443 HydrophobicContact CE-CG1 4.08Å; M410-V443 HydrophobicContact CE-CG2 4.16Å; P437-V443 HydrophobicContact CB-CG2 3.64Å; P437-V443 HydrophobicContact CG-CG2 3.89Å; V443-I445 HydrophobicContact CG1-CD1 3.58Å; V443-I445 HydrophobicContact CG1-CG1 4.5Å
444H96.5Very high90Very high117 Ų11767.5 Ų67.554%0.54234%0.336SS..EExtended strand (participates in β ladder)trans-108.3113.9174.3-68.1-90000110.4I4I4-H444 WeakPolarHBondContact O-CA 3.46Å
445I95.2Very high89.5Confident7 Ų769.1 Ų69.14%0.03635%0.35CS..EExtended strand (participates in β ladder)trans-94.9118176.1-47.6-56.4000108.2S3 I4 L199 H408 V443 T447S3-I445 CarbonylContact C-O 3.6Å; S3-I445 VanDerWaalsContact CA-O 3.23Å; S3-I445 WeakPolarHBondContact CA-O 3.4Å; I4-I445 HydrophobicContact CB-CB 4.17Å; I4-I445 PolarHBondContact N-O 3.43Å; I4-I445 PolarHBondContact O-N 3.26Å; L199-I445 HydrophobicContact CD1-CG1 4.24Å; L199-I445 HydrophobicContact CD2-CG1 4.28Å; H408-I445 HydrophobicContact CB-CG2 3.77Å; H408-I445 WeakPolarHBondContact NE2-CD1 3.29Å; V443-I445 HydrophobicContact CG1-CD1 3.58Å; V443-I445 HydrophobicContact CG1-CG1 4.5Å; I445-T447 PolarHBondContact O-N 3.29Å
446K90.9Very high88.8Confident172 Ų17270.4 Ų70.475%0.74836%0.359SS*.EExtended strand (participates in β ladder)trans-70.3129176.1-67-178.1179.7178.30109.1
447T86.6Confident88.2Confident9 Ų977.4 Ų77.46%0.05538%0.384CS..  trans-110.4139.8171.652.30000109.7S2 I4 N171 D198 I445 Q449S2-T447 WeakPolarHBondContact CB-OG1 3.33Å; S2-T447 PolarHBondContact O-N 3.47Å; S2-T447 PolarHBondContact O-OG1 3.33Å; S2-T447 PolarHBondContact OG-OG1 2.92Å; I4-T447 HydrophobicContact CD1-CG2 3.74Å; I4-T447 HydrophobicContact CG1-CG2 3.64Å; N171-T447 WeakPolarHBondContact ND2-CB 3.35Å; N171-T447 WeakPolarHBondContact ND2-CG2 3.15Å; N171-T447 PolarHBondContact ND2-OG1 2.82Å; D198-T447 HydrophobicContact CB-CG2 3.89Å; I445-T447 PolarHBondContact O-N 3.29Å; T447-Q449 PolarHBondContact O-N 3.27Å
448E79.1Confident87.4Confident136 Ų13683.2 Ų83.264%0.63641%0.411SS*.PPolyproline II helixtrans-67.7127.3171.5-67.8174.8166.300108.6Q450E448-Q450 PolarHBondContact O-N 3.31Å
449Q70.3Confident86.7Confident142 Ų14282.2 Ų82.266%0.66440%0.401SS*.PPolyproline II helixtrans-70.5118168.8-74.6179.8-42.100107.5T447T447-Q449 PolarHBondContact O-N 3.27Å
450Q73.3Confident85.9Confident114 Ų11483.2 Ų83.253%0.53341%0.406SS..PPolyproline II helixtrans-86.3128.6172.1-65.8-172.9-19.200108.7T170 E448T170-Q450 HydrophobicContact CG2-CB 4.09Å; E448-Q450 PolarHBondContact O-N 3.31Å
451F78.3Confident85Confident124 Ų12485.4 Ų85.454%0.54441%0.414SS..  trans-91.6103.3169.3-174.7-102.1000107.7V453 I484 I486 P492F451-V453 HydrophobicContact CD1-CG1 3.63Å; F451-V453 HydrophobicContact CE1-CG1 3.26Å; F451-V453 HydrophobicContact CZ-CG1 4.24Å; F451-I484 HydrophobicContact CE1-CD1 4.12Å; F451-I484 HydrophobicContact CE1-CG2 3.92Å; F451-I484 HydrophobicContact CZ-CG2 4.03Å; F451-I486 HydrophobicContact CZ-CD1 4.24Å; F451-P492 HydrophobicContact CE1-CB 4.18Å; F451-P492 HydrophobicContact CE1-CG 4.44Å; F451-P492 HydrophobicContact CE2-CB 4.47Å; F451-P492 HydrophobicContact CE2-CG 3.91Å; F451-P492 HydrophobicContact CZ-CB 3.7Å; F451-P492 HydrophobicContact CZ-CG 3.63Å
452I80.9Confident83.6Confident99 Ų9987 Ų8751%0.50842%0.421SS..  trans-83.4129.3179.9-60.1175.5000108.4T170 T491T170-I452 HydrophobicContact CG2-CD1 3.64Å; T170-I452 HydrophobicContact CG2-CG1 4.32Å; I452-T491 HydrophobicContact CG2-CG2 4.31Å
453V87.3Confident81.9Confident52 Ų5285.6 Ų85.632%0.31542%0.415SS..  trans-121.9143170.6-64.90000109.7F451 I484 P492 L494F451-V453 HydrophobicContact CD1-CG1 3.63Å; F451-V453 HydrophobicContact CE1-CG1 3.26Å; F451-V453 HydrophobicContact CZ-CG1 4.24Å; V453-I484 HydrophobicContact CG1-CG2 4.19Å; V453-P492 CarbonylContact C-O 3.54Å; V453-P492 WeakPolarHBondContact CA-O 3.4Å; V453-P492 HydrophobicContact CG1-CB 4.1Å; V453-L494 HydrophobicContact CB-CB 4.31Å; V453-L494 HydrophobicContact CG2-CB 4.26Å
454E87.6Confident79.9Confident105 Ų10591.9 Ų91.949%0.49144%0.437SS..EExtended strand (participates in β ladder)trans-93.6136.7170.1-71.4-178.9-177.800110.2T491 P492 K493 L494E454-T491 HydrophobicContact CG-CG2 3.85Å; E454-P492 PolarHBondContact N-O 3.14Å; E454-K493 HydrophobicContact CB-CG 4.47Å; E454-K493 CarbonylContact O-C 3.49Å; E454-K493 WeakPolarHBondContact O-CA 3.48Å; E454-L494 PolarHBondContact O-N 2.75Å
455A87.4Confident77.9Confident39 Ų3994.8 Ų94.832%0.32245%0.445SS..EExtended strand (participates in β ladder)trans-130.9140177.300000109.7F459 L460 L494A455-F459 HydrophobicContact CB-CD1 4.12Å; A455-L460 HydrophobicContact CB-CD1 4.18Å; A455-L460 HydrophobicContact CB-CD2 4.04Å; A455-L460 HydrophobicContact CB-CG 4.02Å; A455-L494 HydrophobicContact CB-CB 4.18Å; A455-L494 HydrophobicContact CB-CD2 4.44Å
456S85Confident75.8Confident51 Ų5196.5 Ų96.536%0.35746%0.458SS..  trans-67.9150.4174.572.10000110.7E458 F459 L460S456-E458 PolarHBondContact O-N 2.83Å; S456-F459 PolarHBondContact O-N 3.13Å; S456-F459 WeakPolarHBondContact OG-CB 3.32Å; S456-F459 PolarHBondContact OG-N 2.7Å; S456-F459 VanDerWaalsContact OG-N 3.14Å; S456-L460 PolarHBondContact O-N 2.63Å; S456-L460 VanDerWaalsContact O-N 3.16Å
457R83.8Confident74.1Confident187 Ų18796.6 Ų96.671%0.70647%0.466SS*.Hα-helixtrans-64-35.7178.2-172.2179.8-178.7-169.8-1.4110.9L460 N461R457-L460 PolarHBondContact O-N 3.49Å; R457-N461 WeakPolarHBondContact O-CB 3.07Å; R457-N461 PolarHBondContact O-N 3.2Å; R457-N461 PolarHBondContact O-ND2 3.01Å
458E80.6Confident72.6Confident124 Ų12499.9 Ų99.958%0.57948%0.483SS*.Hα-helixtrans-61.7-46.5177.4-63.868.2-14700110.8S456 N461 Q462S456-E458 PolarHBondContact O-N 2.83Å; E458-N461 PolarHBondContact O-N 3.26Å; E458-Q462 WeakPolarHBondContact O-CG 3.31Å; E458-Q462 PolarHBondContact O-N 3.48Å
459F81.6Confident71.6Confident11 Ų1199.2 Ų99.25%0.04849%0.491CS..Hα-helixtrans-59.9-47.2176.4171.9-102.9000111.9A455 S456 N461 Q462 I480 L494 D496A455-F459 HydrophobicContact CB-CD1 4.12Å; S456-F459 PolarHBondContact O-N 3.13Å; S456-F459 WeakPolarHBondContact OG-CB 3.32Å; S456-F459 PolarHBondContact OG-N 2.7Å; S456-F459 VanDerWaalsContact OG-N 3.14Å; F459-N461 VanDerWaalsContact C-N 3.29Å; F459-N461 PolarHBondContact O-N 3.49Å; F459-Q462 PolarHBondContact O-N 3.16Å; F459-I480 HydrophobicContact CE1-CG2 3.51Å; F459-I480 HydrophobicContact CE2-CG2 4.41Å; F459-I480 HydrophobicContact CZ-CG2 3.35Å; F459-L494 HydrophobicContact CD1-CD2 4.49Å; F459-L494 HydrophobicContact CD1-CG 4.46Å; F459-L494 HydrophobicContact CE1-CD2 3.57Å; F459-L494 HydrophobicContact CE1-CG 3.6Å; F459-L494 HydrophobicContact CZ-CD2 4.21Å; F459-L494 HydrophobicContact CZ-CG 3.96Å; F459-D496 HydrophobicContact CD2-CB 3.8Å; F459-D496 HydrophobicContact CE2-CB 3.95Å
460L79.3Confident71.1Confident69 Ų6998.8 Ų98.836%0.36149%0.493SS..Hα-helixtrans-64-36.9178.2-65176.3000111.6A455 S456 R457 S463 I480A455-L460 HydrophobicContact CB-CD1 4.18Å; A455-L460 HydrophobicContact CB-CD2 4.04Å; A455-L460 HydrophobicContact CB-CG 4.02Å; S456-L460 PolarHBondContact O-N 2.63Å; S456-L460 VanDerWaalsContact O-N 3.16Å; R457-L460 PolarHBondContact O-N 3.49Å; L460-S463 PolarHBondContact O-N 3.49Å; L460-S463 PolarHBondContact O-OG 2.98Å; L460-I480 HydrophobicContact CD2-CD1 4.33Å
461N74.2Confident70.5Confident60 Ų6097.4 Ų97.432%0.32149%0.487SS..Hα-helixtrans-72.3-31.2179.1-74.2-16.8000113.8R457 E458 F459 S463 Y464 Y465R457-N461 WeakPolarHBondContact O-CB 3.07Å; R457-N461 PolarHBondContact O-N 3.2Å; R457-N461 PolarHBondContact O-ND2 3.01Å; E458-N461 PolarHBondContact O-N 3.26Å; F459-N461 VanDerWaalsContact C-N 3.29Å; F459-N461 PolarHBondContact O-N 3.49Å; N461-S463 PolarHBondContact O-N 3.2Å; N461-Y464 WeakPolarHBondContact O-CA 3.32Å; N461-Y464 WeakPolarHBondContact O-CB 3.38Å; N461-Y464 PolarHBondContact O-N 3.24Å; N461-Y465 HydrophobicContact CB-CE2 4.46Å; N461-Y465 WeakPolarHBondContact O-CD2 3.48Å; N461-Y465 PolarHBondContact O-N 3.37Å
462Q67.2Low69.5Low130 Ų13096 Ų9661%0.60749%0.49SS*.Hα-helixtrans-58.9-30.8176.3-77.1172.95.600112.2E458 F459 Y464E458-Q462 WeakPolarHBondContact O-CG 3.31Å; E458-Q462 PolarHBondContact O-N 3.48Å; F459-Q462 PolarHBondContact O-N 3.16Å; Q462-Y464 VanDerWaalsContact C-N 3.32Å
463S59Low68.5Low32 Ų3298.5 Ų98.522%0.22450%0.503CS..THydrogen-bonded Turntrans-78.5-15.1174.570.70000114.2L460 N461 R478L460-S463 PolarHBondContact O-N 3.49Å; L460-S463 PolarHBondContact O-OG 2.98Å; N461-S463 PolarHBondContact O-N 3.2Å; S463-R478 WeakPolarHBondContact O-CD 3.43Å; S463-R478 PolarHBondContact O-NH1 2.86Å
464Y54.9Low67.1Low149 Ų14999.7 Ų99.758%0.58451%0.507SS*.THydrogen-bonded Turntrans-91.1-33.3-172.8-108.5-92.9000113.7N461 Q462 L473N461-Y464 WeakPolarHBondContact O-CA 3.32Å; N461-Y464 WeakPolarHBondContact O-CB 3.38Å; N461-Y464 PolarHBondContact O-N 3.24Å; Q462-Y464 VanDerWaalsContact C-N 3.32Å; Y464-L473 HydrophobicContact CD1-CD2 4.21Å; Y464-L473 HydrophobicContact CE1-CD2 4.43Å
465Y52.8Low65.8Low178 Ų178105 Ų10570%0.69853%0.529SS*.  trans-97.2111.5-179.4-66.8-78.3000109.9N461N461-Y465 HydrophobicContact CB-CE2 4.46Å; N461-Y465 WeakPolarHBondContact O-CD2 3.48Å; N461-Y465 PolarHBondContact O-N 3.37Å
466S52.9Low64.5Low44 Ų44112.4 Ų112.431%0.30855%0.548SS..  trans-60.1144.5152.7165.60000108D468 E471S466-D468 PolarHBondContact O-N 3.48Å; S466-D468 WeakPolarHBondContact OG-CB 3.26Å; S466-D468 PolarHBondContact OG-N 3.32Å; S466-E471 WeakPolarHBondContact CB-OE2 3.45Å; S466-E471 PolarHBondContact OG-OE2 2.74Å
467D54.4Low63.6Low174 Ų174116 Ų11693%0.9357%0.574SS**SBendtrans-59-11.4170.5-72.3-37000112.1P469D467-P469 VanDerWaalsContact O-CD 3.24Å; D467-P469 WeakPolarHBondContact O-CD 3.16Å
468D54.9Low62.7Low78 Ų78112.5 Ų112.542%0.41756%0.56SS.*  trans-90.4107.3170-171.2-0.2000112S466 N470 E471S466-D468 PolarHBondContact O-N 3.48Å; S466-D468 WeakPolarHBondContact OG-CB 3.26Å; S466-D468 PolarHBondContact OG-N 3.32Å; D468-N470 PolarHBondContact O-N 3.16Å; D468-N470 WeakPolarHBondContact OD1-CB 3.39Å; D468-N470 PolarHBondContact OD1-N 3.27Å; D468-N470 PolarHBondContact OD1-ND2 3.22Å; D468-E471 HydrophobicContact CB-CB 4.5Å; D468-E471 PolarHBondContact O-N 3.34Å; D468-E471 VanDerWaalsContact O-N 3.17Å
469P57.8Low62.2Low122 Ų122111.5 Ų111.579%0.79257%0.567SS**THydrogen-bonded Turntrans-64.1-7175.125.5-32.9000114.2D467D467-P469 VanDerWaalsContact O-CD 3.24Å; D467-P469 WeakPolarHBondContact O-CD 3.16Å
470N59.4Low61.8Low133 Ų133114.9 Ų114.971%0.71159%0.585SS**THydrogen-bonded Turntrans-99.2-2.4177.1-56.1-64.4000114.2D468 P472D468-N470 PolarHBondContact O-N 3.16Å; D468-N470 WeakPolarHBondContact OD1-CB 3.39Å; D468-N470 PolarHBondContact OD1-N 3.27Å; D468-N470 PolarHBondContact OD1-ND2 3.22Å; N470-P472 WeakPolarHBondContact O-CD 3.49Å
471E61.3Low61.6Low84 Ų84119.8 Ų119.839%0.39361%0.606SS.*SBendtrans-72.4119.6177.8-158.7-172.7-16100110S466 D468 R478S466-E471 WeakPolarHBondContact CB-OE2 3.45Å; S466-E471 PolarHBondContact OG-OE2 2.74Å; D468-E471 HydrophobicContact CB-CB 4.5Å; D468-E471 PolarHBondContact O-N 3.34Å; D468-E471 VanDerWaalsContact O-N 3.17Å; E471-R478 IonicContact OE1-NH2 3.83Å; E471-R478 IonicContact OE2-NH2 2.82Å; E471-R478 PolarHBondContact OE2-NH2 3.41Å
472P57.8Low61.8Low95 Ų95118.8 Ų118.862%0.61761%0.61SS**  trans-63.3143179.124.5-32000110.3N470 I474N470-P472 WeakPolarHBondContact O-CD 3.49Å; P472-I474 WeakPolarHBondContact O-CG1 3.22Å; P472-I474 PolarHBondContact O-N 3.05Å
473L59.4Low62.6Low151 Ų151113.8 Ų113.879%0.79159%0.593SS**  trans-58.894.2173.7-72166.2000110.2Y464Y464-L473 HydrophobicContact CD1-CD2 4.21Å; Y464-L473 HydrophobicContact CE1-CD2 4.43Å
474I58.7Low64Low77 Ų77116.5 Ų116.540%0.39560%0.604SS.*  trans-80.6129.1179.7-43.6-173.4000108.6P472 R476P472-I474 WeakPolarHBondContact O-CG1 3.22Å; P472-I474 PolarHBondContact O-N 3.05Å; I474-R476 HydrophobicContact CG2-CB 4Å; I474-R476 HydrophobicContact CG2-CG 3.61Å; I474-R476 PolarHBondContact O-N 3Å
475K59.1Low65.5Low217 Ų217111 Ų11194%0.94358%0.584SS**  trans-66.822.5170.8-70.2-174.6177.11790114.3
476R59.6Low67.2Low194 Ų194108.1 Ų108.173%0.73258%0.579SS**SBendtrans-80.8139.5177.2-78.5177.5-173.2-176.11.6108.8I474 R478I474-R476 HydrophobicContact CG2-CB 4Å; I474-R476 HydrophobicContact CG2-CG 3.61Å; I474-R476 PolarHBondContact O-N 3Å; R476-R478 PolarHBondContact O-N 2.7Å
477S66.2Low68.7Low127 Ų127109.7 Ų109.789%0.88858%0.582SS**PPolyproline II helixtrans-56.5122.5170.6-165.90000108.7
478R64.8Low70Confident113 Ų113106.4 Ų106.443%0.42657%0.57SS.*PPolyproline II helixtrans-99.7147.5170.8-69.1-168.2172.7-160.5-5.2108.9S463 E471 R476S463-R478 WeakPolarHBondContact O-CD 3.43Å; S463-R478 PolarHBondContact O-NH1 2.86Å; E471-R478 IonicContact OE1-NH2 3.83Å; E471-R478 IonicContact OE2-NH2 2.82Å; E471-R478 PolarHBondContact OE2-NH2 3.41Å; R476-R478 PolarHBondContact O-N 2.7Å
479S70.1Confident71.2Confident104 Ų104111 Ų11173%0.72760%0.595SS**PPolyproline II helixtrans-82.5130.3173.2-169.90000108.9
480I73.8Confident72.4Confident82 Ų82110.1 Ų110.142%0.42158%0.58SS.*PPolyproline II helixtrans-100.2121171.1-63174.8000106.6F459 L460F459-I480 HydrophobicContact CE1-CG2 3.51Å; F459-I480 HydrophobicContact CE2-CG2 4.41Å; F459-I480 HydrophobicContact CZ-CG2 3.35Å; L460-I480 HydrophobicContact CD2-CD1 4.33Å
481Q74.5Confident73.5Confident171 Ų171106.7 Ų106.780%0.79956%0.564SS**PPolyproline II helixtrans-100.9118.3174.3-67.1-175.2-11.600109.1
482G79.6Confident74.9Confident39 Ų39103.7 Ų103.740%0.40255%0.552SS.*  trans-159.5164.1177.800000110.9L495G482-L495 CarbonylContact C-O 3.54Å; G482-L495 WeakPolarHBondContact CA-O 3.32Å
483G83.6Confident76.4Confident25 Ų25102.6 Ų102.626%0.25854%0.537SS..EExtended strand (participates in β ladder)trans-97.7144.1169.700000110.5L495G483-L495 PolarHBondContact N-O 3.23Å; G483-L495 PolarHBondContact O-N 3.22Å
484I87.7Confident77.8Confident90 Ų9097 Ų9746%0.46251%0.508SS..EExtended strand (participates in β ladder)trans-93.4109.9171.2-59.1170.3000106.8F451 V453 I486 P492 K493 L494F451-I484 HydrophobicContact CE1-CD1 4.12Å; F451-I484 HydrophobicContact CE1-CG2 3.92Å; F451-I484 HydrophobicContact CZ-CG2 4.03Å; V453-I484 HydrophobicContact CG1-CG2 4.19Å; I484-I486 HydrophobicContact CG2-CD1 4.36Å; I484-I486 HydrophobicContact CG2-CG1 3.85Å; I484-P492 HydrophobicContact CG2-CB 4Å; I484-K493 CarbonylContact C-O 3.55Å; I484-K493 WeakPolarHBondContact CA-O 3.48Å; I484-L494 HydrophobicContact CG1-CD1 3.96Å
485Q87.4Confident79.2Confident34 Ų3494.9 Ų94.916%0.15950%0.497CS..EExtended strand (participates in β ladder)trans-83.1121.6170.3-175.3171.91.800108.5E487 P492 K493 L495 S503Q485-E487 HydrophobicContact CG-CG 4.19Å; Q485-E487 PolarHBondContact NE2-OE1 3Å; Q485-P492 WeakPolarHBondContact O-CA 3.37Å; Q485-K493 PolarHBondContact N-O 2.79Å; Q485-K493 PolarHBondContact O-N 3.08Å; Q485-L495 HydrophobicContact CB-CD1 4.13Å; Q485-S503 PolarHBondContact NE2-OG 3.12Å; Q485-S503 PolarHBondContact OE1-OG 2.84Å
486I87.6Confident80.5Confident116 Ų11686.1 Ų86.160%0.59546%0.461SS*.  trans-114.8107.7177.6-55.1176.8000106.5F451 I484 P492F451-I486 HydrophobicContact CZ-CD1 4.24Å; I484-I486 HydrophobicContact CG2-CD1 4.36Å; I484-I486 HydrophobicContact CG2-CG1 3.85Å; I486-P492 HydrophobicContact CG1-CB 4.33Å
487E84.1Confident81.5Confident77 Ų7782.7 Ų82.736%0.3645%0.448SS..  trans-102.1150.1171.3-64-62.1156.300109.3Q485 D489 E490Q485-E487 HydrophobicContact CG-CG 4.19Å; Q485-E487 PolarHBondContact NE2-OE1 3Å; E487-D489 PolarHBondContact O-N 3.04Å; E487-E490 HydrophobicContact CB-CB 4.25Å; E487-E490 HydrophobicContact CB-CG 4.39Å
488P83.5Confident82.3Confident105 Ų10580 Ų8068%0.68243%0.433SS*.THydrogen-bonded Turntrans-56.6135.7170-21.132.8000110.9E490P488-E490 PolarHBondContact O-N 2.78Å; P488-E490 VanDerWaalsContact O-N 3.09Å
489D79.8Confident83.3Confident175 Ų17576.8 Ų76.894%0.93643%0.428SS*.THydrogen-bonded Turntrans62.49.7174.8-50.6-42.2000116.8E487E487-D489 PolarHBondContact O-N 3.04Å
490E82.4Confident84Confident104 Ų10473.3 Ų73.349%0.48640%0.402SS..SBendtrans-113.4151.9171.8-62.6-164172.600112.2E487 P488 K493E487-E490 HydrophobicContact CB-CB 4.25Å; E487-E490 HydrophobicContact CB-CG 4.39Å; P488-E490 PolarHBondContact O-N 2.78Å; P488-E490 VanDerWaalsContact O-N 3.09Å; E490-K493 IonicContact OE2-NZ 3.04Å; E490-K493 PolarHBondContact OE2-NZ 3.14Å
491T82.6Confident84.6Confident61 Ų6171.3 Ų71.337%0.37439%0.392SS..  trans-61.7128.9168.4-49.90000109.1I452 E454 K493I452-T491 HydrophobicContact CG2-CG2 4.31Å; E454-T491 HydrophobicContact CG-CG2 3.85Å; T491-K493 PolarHBondContact O-N 3.48Å
492P89.8Confident85.2Confident20 Ų2066.6 Ų66.613%0.1338%0.382CS..  trans-53.6136.4177.5-29.236.7000112.3F451 V453 E454 I484 Q485 I486F451-P492 HydrophobicContact CE1-CB 4.18Å; F451-P492 HydrophobicContact CE1-CG 4.44Å; F451-P492 HydrophobicContact CE2-CB 4.47Å; F451-P492 HydrophobicContact CE2-CG 3.91Å; F451-P492 HydrophobicContact CZ-CB 3.7Å; F451-P492 HydrophobicContact CZ-CG 3.63Å; V453-P492 CarbonylContact C-O 3.54Å; V453-P492 WeakPolarHBondContact CA-O 3.4Å; V453-P492 HydrophobicContact CG1-CB 4.1Å; E454-P492 PolarHBondContact N-O 3.14Å; I484-P492 HydrophobicContact CG2-CB 4Å; Q485-P492 WeakPolarHBondContact O-CA 3.37Å; I486-P492 HydrophobicContact CG1-CB 4.33Å
493K89.8Confident85.4Confident72 Ų7267.2 Ų67.231%0.31338%0.381SS..EExtended strand (participates in β ladder)trans-108.8130.3-177.7-70.2164.5-176.3155.80110.4E454 I484 Q485 E490 T491 L495E454-K493 HydrophobicContact CB-CG 4.47Å; E454-K493 CarbonylContact O-C 3.49Å; E454-K493 WeakPolarHBondContact O-CA 3.48Å; I484-K493 CarbonylContact C-O 3.55Å; I484-K493 WeakPolarHBondContact CA-O 3.48Å; Q485-K493 PolarHBondContact N-O 2.79Å; Q485-K493 PolarHBondContact O-N 3.08Å; E490-K493 IonicContact OE2-NZ 3.04Å; E490-K493 PolarHBondContact OE2-NZ 3.14Å; T491-K493 PolarHBondContact O-N 3.48Å; K493-L495 HydrophobicContact CB-CD2 4.38Å; K493-L495 HydrophobicContact CB-CG 4.2Å
494L89.6Confident85.5Confident33 Ų3370.2 Ų70.217%0.17339%0.39CS..EExtended strand (participates in β ladder)trans-90.6114.7170.6-176.165.7000108.8V453 E454 A455 F459 I484V453-L494 HydrophobicContact CB-CB 4.31Å; V453-L494 HydrophobicContact CG2-CB 4.26Å; E454-L494 PolarHBondContact O-N 2.75Å; A455-L494 HydrophobicContact CB-CB 4.18Å; A455-L494 HydrophobicContact CB-CD2 4.44Å; F459-L494 HydrophobicContact CD1-CD2 4.49Å; F459-L494 HydrophobicContact CD1-CG 4.46Å; F459-L494 HydrophobicContact CE1-CD2 3.57Å; F459-L494 HydrophobicContact CE1-CG 3.6Å; F459-L494 HydrophobicContact CZ-CD2 4.21Å; F459-L494 HydrophobicContact CZ-CG 3.96Å; I484-L494 HydrophobicContact CG1-CD1 3.96Å
495L87.9Confident85.5Confident34 Ų3471.3 Ų71.318%0.17841%0.406CS..EExtended strand (participates in β ladder)trans-124.8151.8-172.6-62.9177.1000110.9G482 G483 Q485 K493 V500G482-L495 CarbonylContact C-O 3.54Å; G482-L495 WeakPolarHBondContact CA-O 3.32Å; G483-L495 PolarHBondContact N-O 3.23Å; G483-L495 PolarHBondContact O-N 3.22Å; Q485-L495 HydrophobicContact CB-CD1 4.13Å; K493-L495 HydrophobicContact CB-CD2 4.38Å; K493-L495 HydrophobicContact CB-CG 4.2Å; L495-V500 HydrophobicContact CB-CG2 3.63Å; L495-V500 HydrophobicContact CD1-CG2 4.36Å
496D85.7Confident85.4Confident32 Ų3274.6 Ų74.617%0.17142%0.424CS..  trans-66.5163.1166.670.378.8000110.8F459 A498 S499 V500F459-D496 HydrophobicContact CD2-CB 3.8Å; F459-D496 HydrophobicContact CE2-CB 3.95Å; D496-A498 VanDerWaalsContact C-N 3.32Å; D496-A498 PolarHBondContact O-N 3.33Å; D496-A498 WeakPolarHBondContact OD1-CA 3.26Å; D496-A498 WeakPolarHBondContact OD1-CB 3.17Å; D496-A498 PolarHBondContact OD1-N 3.27Å; D496-S499 VanDerWaalsContact CG-OG 3.31Å; D496-S499 WeakPolarHBondContact O-CB 3.26Å; D496-S499 PolarHBondContact O-N 2.8Å; D496-S499 PolarHBondContact OD1-N 3.18Å; D496-S499 PolarHBondContact OD1-OG 3.11Å; D496-S499 WeakPolarHBondContact OD2-CB 3.16Å; D496-S499 PolarHBondContact OD2-OG 2.67Å; D496-V500 WeakPolarHBondContact O-CG2 3.31Å; D496-V500 PolarHBondContact O-N 3.36Å
497R80.6Confident85.3Confident123 Ų12378.5 Ų78.546%0.46444%0.437SS..Hα-helixtrans-58.7-39.7-176-172.1177.9-174.2-157.6-2.1114L501 E508R497-L501 HydrophobicContact CG-CD1 4.41Å; R497-L501 WeakPolarHBondContact O-CG 3.46Å; R497-L501 PolarHBondContact O-N 3.47Å; R497-L501 VanDerWaalsContact O-N 3.13Å; R497-E508 VanDerWaalsContact CZ-CD 3.49Å; R497-E508 IonicContact CZ-OE1 2.91Å; R497-E508 IonicContact CZ-OE2 3.65Å; R497-E508 IonicContact NH1-OE1 2.7Å; R497-E508 PolarHBondContact NH1-OE1 2.91Å; R497-E508 VanDerWaalsContact NH1-OE1 3.17Å; R497-E508 IonicContact NH1-OE2 2.87Å; R497-E508 IonicContact NH2-OE1 3.01Å; R497-E508 PolarHBondContact NH2-OE1 3.42Å; R497-E508 IonicContact NH2-OE2 3.91Å
498A82.6Confident85.2Confident69 Ų6978.5 Ų78.557%0.5744%0.437SS*.Hα-helixtrans-70.2-39.8-179.800000110.5D496 L501 A502D496-A498 VanDerWaalsContact C-N 3.32Å; D496-A498 PolarHBondContact O-N 3.33Å; D496-A498 WeakPolarHBondContact OD1-CA 3.26Å; D496-A498 WeakPolarHBondContact OD1-CB 3.17Å; D496-A498 PolarHBondContact OD1-N 3.27Å; A498-L501 PolarHBondContact O-N 3.25Å; A498-A502 VanDerWaalsContact O-CB 3.29Å; A498-A502 WeakPolarHBondContact O-CB 3.37Å; A498-A502 PolarHBondContact O-N 3.02Å
499S86Confident85.1Confident47 Ų4780.9 Ų80.933%0.32944%0.438SS..Hα-helixtrans-63.2-40.3175.1-67.30000112.7D496 A502 S503D496-S499 VanDerWaalsContact CG-OG 3.31Å; D496-S499 WeakPolarHBondContact O-CB 3.26Å; D496-S499 PolarHBondContact O-N 2.8Å; D496-S499 PolarHBondContact OD1-N 3.18Å; D496-S499 PolarHBondContact OD1-OG 3.11Å; D496-S499 WeakPolarHBondContact OD2-CB 3.16Å; D496-S499 PolarHBondContact OD2-OG 2.67Å; S499-A502 PolarHBondContact O-N 2.9Å; S499-S503 WeakPolarHBondContact O-CB 2.98Å; S499-S503 PolarHBondContact O-N 3.36Å; S499-S503 PolarHBondContact O-OG 2.96Å
500V85Confident85.2Confident30 Ų3076.1 Ų76.118%0.18242%0.416CS..Hα-helixtrans-64.3-45.6174.4175.30000111.5L495 D496 A502 S503 L504L495-V500 HydrophobicContact CB-CG2 3.63Å; L495-V500 HydrophobicContact CD1-CG2 4.36Å; D496-V500 WeakPolarHBondContact O-CG2 3.31Å; D496-V500 PolarHBondContact O-N 3.36Å; V500-A502 VanDerWaalsContact C-N 3.31Å; V500-A502 PolarHBondContact O-N 2.89Å; V500-S503 PolarHBondContact O-N 3.49Å; V500-S503 PolarHBondContact O-OG 3.18Å; V500-L504 HydrophobicContact CG1-CD1 4.07Å; V500-L504 WeakPolarHBondContact O-CG 3.3Å; V500-L504 PolarHBondContact O-N 3.34Å; V500-L504 VanDerWaalsContact O-N 3.11Å
501L87Confident85.4Confident40 Ų4075.2 Ų75.221%0.20941%0.412CS..Hα-helixtrans-63.5-41.2178.2-73.3171.7000111.3R497 A498 L504 S505 L506 E508R497-L501 HydrophobicContact CG-CD1 4.41Å; R497-L501 WeakPolarHBondContact O-CG 3.46Å; R497-L501 PolarHBondContact O-N 3.47Å; R497-L501 VanDerWaalsContact O-N 3.13Å; A498-L501 PolarHBondContact O-N 3.25Å; L501-L504 PolarHBondContact O-N 3.45Å; L501-S505 PolarHBondContact O-N 2.86Å; L501-S505 VanDerWaalsContact O-N 3.1Å; L501-L506 HydrophobicContact CD2-CB 4.07Å; L501-L506 PolarHBondContact O-N 3.12Å; L501-E508 HydrophobicContact CD1-CB 3.71Å; L501-E508 HydrophobicContact CD1-CG 4.16Å
502A86.5Confident85.7Confident72 Ų7281.4 Ų81.460%0.59543%0.429SS*.Hα-helixtrans-64.1-43.9175.800000112A498 S499 V500 L504 S505A498-A502 VanDerWaalsContact O-CB 3.29Å; A498-A502 WeakPolarHBondContact O-CB 3.37Å; A498-A502 PolarHBondContact O-N 3.02Å; S499-A502 PolarHBondContact O-N 2.9Å; V500-A502 VanDerWaalsContact C-N 3.31Å; V500-A502 PolarHBondContact O-N 2.89Å; A502-L504 VanDerWaalsContact C-N 3.29Å; A502-L504 PolarHBondContact O-N 3.47Å; A502-S505 PolarHBondContact O-N 2.84Å; A502-S505 VanDerWaalsContact O-N 3.15Å
503S84.7Confident85.6Confident53 Ų5383.7 Ų83.737%0.37144%0.437SS..Hα-helixtrans-65.5-33.4-179.671.40000112.5Q485 S499 V500Q485-S503 PolarHBondContact NE2-OG 3.12Å; Q485-S503 PolarHBondContact OE1-OG 2.84Å; S499-S503 WeakPolarHBondContact O-CB 2.98Å; S499-S503 PolarHBondContact O-N 3.36Å; S499-S503 PolarHBondContact O-OG 2.96Å; V500-S503 PolarHBondContact O-N 3.49Å; V500-S503 PolarHBondContact O-OG 3.18Å
504L85.1Confident85.7Confident87 Ų8784 Ų8446%0.45545%0.445SS..THydrogen-bonded Turntrans-88.2-0.2176.4-62.4175.5000114V500 L501 A502 L506V500-L504 HydrophobicContact CG1-CD1 4.07Å; V500-L504 WeakPolarHBondContact O-CG 3.3Å; V500-L504 PolarHBondContact O-N 3.34Å; V500-L504 VanDerWaalsContact O-N 3.11Å; L501-L504 PolarHBondContact O-N 3.45Å; A502-L504 VanDerWaalsContact C-N 3.29Å; A502-L504 PolarHBondContact O-N 3.47Å; L504-L506 HydrophobicContact CB-CB 4.4Å; L504-L506 HydrophobicContact CB-CD1 3.81Å; L504-L506 HydrophobicContact CB-CG 3.83Å; L504-L506 HydrophobicContact CD1-CD1 4.05Å; L504-L506 PolarHBondContact O-N 3.27Å
505S87Confident85.6Confident113 Ų11384 Ų8479%0.7945%0.448SS*.THydrogen-bonded Turntrans52.931.5-172.3-60.20000113.7L501 A502L501-S505 PolarHBondContact O-N 2.86Å; L501-S505 VanDerWaalsContact O-N 3.1Å; A502-S505 PolarHBondContact O-N 2.84Å; A502-S505 VanDerWaalsContact O-N 3.15Å
506L86.8Confident85.6Confident103 Ų10386.1 Ų86.154%0.53946%0.462SS..PPolyproline II helixtrans-98.9142.2179.8-66.3176.5000110.3L501 L504L501-L506 HydrophobicContact CD2-CB 4.07Å; L501-L506 PolarHBondContact O-N 3.12Å; L504-L506 HydrophobicContact CB-CB 4.4Å; L504-L506 HydrophobicContact CB-CD1 3.81Å; L504-L506 HydrophobicContact CB-CG 3.83Å; L504-L506 HydrophobicContact CD1-CD1 4.05Å; L504-L506 PolarHBondContact O-N 3.27Å
507K84.7Confident85.6Confident198 Ų19886 Ų8686%0.86146%0.461SS*.PPolyproline II helixtrans-86145.3164.9-68.3-175.1179.5-179.90109.1H509K507-H509 PolarHBondContact O-N 2.79Å
508E81.2Confident85.8Confident77 Ų7784.1 Ų84.136%0.3646%0.462SS..PPolyproline II helixtrans-59.4124.2175.5-169178.8156.100110.5R497 L501 V510 Q600R497-E508 VanDerWaalsContact CZ-CD 3.49Å; R497-E508 IonicContact CZ-OE1 2.91Å; R497-E508 IonicContact CZ-OE2 3.65Å; R497-E508 IonicContact NH1-OE1 2.7Å; R497-E508 PolarHBondContact NH1-OE1 2.91Å; R497-E508 VanDerWaalsContact NH1-OE1 3.17Å; R497-E508 IonicContact NH1-OE2 2.87Å; R497-E508 IonicContact NH2-OE1 3.01Å; R497-E508 PolarHBondContact NH2-OE1 3.42Å; R497-E508 IonicContact NH2-OE2 3.91Å; L501-E508 HydrophobicContact CD1-CB 3.71Å; L501-E508 HydrophobicContact CD1-CG 4.16Å; E508-V510 HydrophobicContact CG-CG2 4.36Å; E508-V510 PolarHBondContact O-N 2.69Å; E508-Q600 PolarHBondContact OE1-NE2 3.38Å
509H83.2Confident85.9Confident155 Ų15581.3 Ų81.372%0.71844%0.437SS*.  trans-81.3100.5172.1-168.865.6000109.6K507 M511K507-H509 PolarHBondContact O-N 2.79Å; H509-M511 VanDerWaalsContact CD2-CG 3.45Å; H509-M511 WeakPolarHBondContact CD2-CG 3.46Å; H509-M511 PolarHBondContact O-N 2.84Å
510V81.5Confident85.7Confident76 Ų7682.2 Ų82.246%0.46144%0.444SS..  trans-84.194.8179.6-175.80000109.6E508 R512E508-V510 HydrophobicContact CG-CG2 4.36Å; E508-V510 PolarHBondContact O-N 2.69Å; V510-R512 HydrophobicContact CG1-CG 4.28Å
511M86Confident85.6Confident84 Ų8481.3 Ų81.341%0.41444%0.439SS..  trans-76122.8171-63.2-177.174.900109.8H509 F513 N598 L599H509-M511 VanDerWaalsContact CD2-CG 3.45Å; H509-M511 WeakPolarHBondContact CD2-CG 3.46Å; H509-M511 PolarHBondContact O-N 2.84Å; M511-F513 HydrophobicContact CB-CE2 4.15Å; M511-F513 HydrophobicContact CB-CZ 4.42Å; M511-F513 HydrophobicContact CE-CZ 3.98Å; M511-N598 VanDerWaalsContact O-CA 3.3Å; M511-N598 WeakPolarHBondContact O-CA 3.38Å; M511-L599 HydrophobicContact CB-CB 4.42Å; M511-L599 PolarHBondContact O-N 3.1Å; M511-L599 HydrophobicContact SD-CD2 4.49Å
512R88Confident85.3Confident192 Ų19284.2 Ų84.273%0.72546%0.462SS*.EExtended strand (participates in β ladder)trans-111.1127.8172.9-67-179.1178.9161-0.8108.8V510 T596 Y597V510-R512 HydrophobicContact CG1-CG 4.28Å; R512-T596 HydrophobicContact CB-CG2 4.37Å; R512-Y597 WeakPolarHBondContact CA-O 3.47Å
513F89.7Confident85.1Confident67 Ų6782.9 Ų82.929%0.29445%0.449SS..EExtended strand (participates in β ladder)trans-103.2127.9172.9-60.5-86.5000107.7M511 T596 Y597 L599M511-F513 HydrophobicContact CB-CE2 4.15Å; M511-F513 HydrophobicContact CB-CZ 4.42Å; M511-F513 HydrophobicContact CE-CZ 3.98Å; F513-T596 CarbonylContact O-C 3.55Å; F513-T596 VanDerWaalsContact O-CA 3.24Å; F513-T596 WeakPolarHBondContact O-CA 3.43Å; F513-Y597 HydrophobicContact CB-CD2 4.07Å; F513-Y597 HydrophobicContact CB-CE1 4.21Å; F513-Y597 HydrophobicContact CB-CE2 3.59Å; F513-Y597 HydrophobicContact CD2-CD2 4.21Å; F513-Y597 AromaticContact CD2-CE2 3.9Å; F513-Y597 HydrophobicContact CD2-CE2 3.9Å; F513-Y597 AromaticContact CG-CE2 3.99Å; F513-Y597 HydrophobicContact CG-CE2 3.99Å; F513-Y597 PolarHBondContact N-O 3.44Å; F513-Y597 PolarHBondContact O-N 2.9Å; F513-L599 HydrophobicContact CE2-CB 4.03Å; F513-L599 HydrophobicContact CE2-CD1 3.73Å; F513-L599 HydrophobicContact CE2-CG 4.48Å; F513-L599 HydrophobicContact CZ-CD1 4.11Å
514T90Very high85.1Confident79 Ų7984.2 Ų84.249%0.48545%0.452SS..EExtended strand (participates in β ladder)trans-119.6116.9175-610000108.4H594 V595 T596T514-H594 HydrophobicContact CG2-CB 4.26Å; T514-V595 WeakPolarHBondContact CA-O 3.43Å; T514-T596 WeakPolarHBondContact CG2-OG1 3.33Å; T514-T596 WeakPolarHBondContact OG1-CG2 3.45Å; T514-T596 PolarHBondContact OG1-OG1 2.91Å
515S87.9Confident85Confident34 Ų3481.5 Ų81.524%0.23844%0.437CS..EExtended strand (participates in β ladder)trans-98.4128.9170.1-71.20000109.7H594 V595 I609S515-H594 WeakPolarHBondContact O-CA 3.42Å; S515-V595 PolarHBondContact N-O 3.37Å; S515-V595 PolarHBondContact O-N 3.38Å; S515-I609 WeakPolarHBondContact OG-CD1 3.37Å
516T88.3Confident84.7Confident78 Ų7879.3 Ų79.348%0.47943%0.427SS..EExtended strand (participates in β ladder)trans-106128.9176.5-58.50000109.8V592 C593 H594T516-V592 HydrophobicContact CG2-CG1 3.61Å; T516-C593 CarbonylContact C-O 3.57Å; T516-C593 WeakPolarHBondContact CA-O 3.22Å; T516-H594 PolarHBondContact OG1-CE1 3.5Å; T516-H594 PolarHBondContact OG1-ND1 3.35Å
517H86.2Confident84.7Confident30 Ų3077.5 Ų77.514%0.13942%0.42CS..EExtended strand (participates in β ladder)trans-128.1118-179.9-61-43.6000110.1C593 I609 K613H517-C593 HydrophobicContact CB-CB 4.41Å; H517-C593 PolarHBondContact N-O 2.86Å; H517-C593 PolarHBondContact O-N 3.41Å; H517-I609 WeakPolarHBondContact NE2-CG2 3.22Å; H517-K613 WeakPolarHBondContact CE1-CE 3.39Å
518V84Confident84.7Confident82 Ų8268.3 Ų68.350%0.49738%0.38SS..EExtended strand (participates in β ladder)trans-93.9133174.5-1730000108.5E590 F591 V592V518-E590 HydrophobicContact CG1-CG 3.64Å; V518-E590 WeakPolarHBondContact CG1-OE1 3.38Å; V518-F591 WeakPolarHBondContact CA-O 3.27Å; V518-V592 HydrophobicContact CG2-CG2 4.37Å
519F85.4Confident84.9Confident10 Ų1065.6 Ų65.64%0.04437%0.368CS..EExtended strand (participates in β ladder)trans-149154.6179.468.3-75.7000111.5I528 V561 E590 F591 C593 F612 I616 V617F519-I528 HydrophobicContact CE2-CD1 4Å; F519-I528 HydrophobicContact CE2-CG2 4.37Å; F519-I528 HydrophobicContact CZ-CD1 4.21Å; F519-I528 HydrophobicContact CZ-CG2 4.1Å; F519-V561 HydrophobicContact CE1-CG1 4.28Å; F519-V561 HydrophobicContact CZ-CG1 4.05Å; F519-E590 WeakPolarHBondContact O-CA 3.49Å; F519-F591 HydrophobicContact CD1-CB 4.12Å; F519-F591 WeakPolarHBondContact CD1-O 3.32Å; F519-F591 HydrophobicContact CE1-CB 3.49Å; F519-F591 VanDerWaalsContact CE1-CB 3.49Å; F519-F591 HydrophobicContact CE2-CB 3.97Å; F519-F591 HydrophobicContact CE2-CD2 4.14Å; F519-F591 HydrophobicContact CE2-CG 4.37Å; F519-F591 HydrophobicContact CZ-CB 3.41Å; F519-F591 VanDerWaalsContact CZ-CB 3.41Å; F519-F591 HydrophobicContact CZ-CD2 4.3Å; F519-F591 HydrophobicContact CZ-CG 4.07Å; F519-F591 PolarHBondContact N-O 3.1Å; F519-F591 PolarHBondContact O-N 3.2Å; F519-C593 HydrophobicContact CD1-CB 4.47Å; F519-C593 HydrophobicContact CE1-CB 3.97Å; F519-F612 AromaticContact CD1-CE1 3.84Å; F519-F612 HydrophobicContact CD1-CE1 3.84Å; F519-F612 HydrophobicContact CD1-CZ 4.1Å; F519-F612 AromaticContact CE1-CE1 3.72Å; F519-F612 HydrophobicContact CE1-CE1 3.72Å; F519-F612 AromaticContact CE1-CZ 3.49Å; F519-F612 HydrophobicContact CE1-CZ 3.49Å; F519-F612 VanDerWaalsContact CE1-CZ 3.49Å; F519-F612 HydrophobicContact CE2-CZ 4.38Å; F519-F612 HydrophobicContact CG-CE1 4.47Å; F519-F612 HydrophobicContact CZ-CE1 4.22Å; F519-F612 AromaticContact CZ-CZ 3.65Å; F519-F612 HydrophobicContact CZ-CZ 3.65Å; F519-I616 HydrophobicContact CE2-CG2 4.35Å; F519-V617 HydrophobicContact CB-CB 4.33Å; F519-V617 HydrophobicContact CB-CG1 3.81Å; F519-V617 HydrophobicContact CB-CG2 3.81Å; F519-V617 HydrophobicContact CD1-CG2 4.45Å; F519-V617 HydrophobicContact CD2-CG2 4.41Å; F519-V617 HydrophobicContact CG-CG2 3.98Å
520S82.4Confident85Confident67 Ų6762 Ų6247%0.46935%0.354SS..EExtended strand (participates in β ladder)trans-103.6134.8175.6-62.80000109.8K589S520-K589 CarbonylContact C-O 3.56Å; S520-K589 WeakPolarHBondContact CA-O 3.44Å
521S81.7Confident85.3Confident11 Ų1162.1 Ų62.18%0.07735%0.348CS..EExtended strand (participates in β ladder)trans-142.4146.4175.1-1700000111.4S523 K589S521-S523 VanDerWaalsContact C-N 3.3Å; S521-S523 PolarHBondContact OG-N 2.85Å; S521-K589 PolarHBondContact N-O 2.89Å; S521-K589 PolarHBondContact O-N 2.86Å
522S81.4Confident85.3Confident100 Ų10058.2 Ų58.270%0.69933%0.329SS*.SBendtrans-80.6-14.1169.658.20000113.4Q587S522-Q587 WeakPolarHBondContact CA-O 3.26Å; S522-Q587 WeakPolarHBondContact CB-O 3.47Å
523S82.9Confident85.2Confident45 Ų4550.6 Ų50.632%0.31530%0.304SS..SBendtrans-76.9151.1177.7-65.30000111.4S521 F591S521-S523 VanDerWaalsContact C-N 3.3Å; S521-S523 PolarHBondContact OG-N 2.85Å; S523-F591 WeakPolarHBondContact O-CE2 3.34Å; S523-F591 WeakPolarHBondContact O-CZ 3.43Å
524N83Confident85.1Confident81 Ų8153.1 Ų53.143%0.43331%0.314SS..  trans-76.6164.2170.468.954.9000110.8A526 T527 I528N524-A526 VanDerWaalsContact C-N 3.3Å; N524-A526 PolarHBondContact O-N 3.38Å; N524-A526 WeakPolarHBondContact OD1-CB 3.28Å; N524-A526 PolarHBondContact OD1-N 3.39Å; N524-A526 VanDerWaalsContact OD1-N 3.08Å; N524-T527 PolarHBondContact ND2-OG1 3.19Å; N524-T527 PolarHBondContact O-N 2.94Å; N524-T527 VanDerWaalsContact O-N 3.13Å; N524-T527 PolarHBondContact OD1-N 2.86Å; N524-T527 PolarHBondContact OD1-OG1 2.97Å; N524-T527 VanDerWaalsContact OD1-OG1 3.09Å; N524-I528 WeakPolarHBondContact O-CG1 3.26Å; N524-I528 PolarHBondContact O-N 3.47Å; N524-I528 VanDerWaalsContact O-N 3.1Å
525L82.8Confident84.8Confident29 Ų2950.2 Ų50.215%0.15230%0.296CS..Hα-helixtrans-54.6-42.5-177.8-176.663000113.2T527 I528 L529 N549 V561 F591L525-T527 PolarHBondContact O-N 2.76Å; L525-I528 PolarHBondContact O-N 3.45Å; L525-L529 HydrophobicContact CD1-CD1 4.34Å; L525-L529 HydrophobicContact CD1-CG 4.45Å; L525-L529 HydrophobicContact CG-CD1 4.07Å; L525-L529 WeakPolarHBondContact O-CG 3.49Å; L525-L529 PolarHBondContact O-N 3.37Å; L525-N549 HydrophobicContact CD2-CB 4.39Å; L525-N549 WeakPolarHBondContact CD2-ND2 3.3Å; L525-V561 HydrophobicContact CD1-CB 3.73Å; L525-V561 HydrophobicContact CD1-CG1 3.47Å; L525-V561 VanDerWaalsContact CD1-CG1 3.47Å; L525-V561 WeakPolarHBondContact CD1-O 3.26Å; L525-F591 HydrophobicContact CB-CE1 4.15Å; L525-F591 HydrophobicContact CD1-CD1 4.28Å; L525-F591 HydrophobicContact CD1-CE1 4.32Å
526A82.7Confident84.7Confident68 Ų6848.7 Ų48.756%0.56229%0.285SS*.Hα-helixtrans-64.5-39.2-179.600000112.1N524 D530N524-A526 VanDerWaalsContact C-N 3.3Å; N524-A526 PolarHBondContact O-N 3.38Å; N524-A526 WeakPolarHBondContact OD1-CB 3.28Å; N524-A526 PolarHBondContact OD1-N 3.39Å; N524-A526 VanDerWaalsContact OD1-N 3.08Å; A526-D530 WeakPolarHBondContact O-CB 3.42Å; A526-D530 PolarHBondContact O-N 3.05Å
527T85.2Confident84.4Confident65 Ų6549.1 Ų49.140%0.39929%0.292SS..Hα-helixtrans-66.8-39.2175.8-55.80000112N524 L525 K531N524-T527 PolarHBondContact ND2-OG1 3.19Å; N524-T527 PolarHBondContact O-N 2.94Å; N524-T527 VanDerWaalsContact O-N 3.13Å; N524-T527 PolarHBondContact OD1-N 2.86Å; N524-T527 PolarHBondContact OD1-OG1 2.97Å; N524-T527 VanDerWaalsContact OD1-OG1 3.09Å; L525-T527 PolarHBondContact O-N 2.76Å; T527-K531 WeakPolarHBondContact O-CB 3.44Å; T527-K531 PolarHBondContact O-N 3.09Å
528I85.6Confident84.1Confident5 Ų555.5 Ų55.53%0.02632%0.319CS..Hα-helixtrans-63.6-47.7176.9-65.8164.1000110.3F519 N524 L525 K531 F532 V561 F591 I616F519-I528 HydrophobicContact CE2-CD1 4Å; F519-I528 HydrophobicContact CE2-CG2 4.37Å; F519-I528 HydrophobicContact CZ-CD1 4.21Å; F519-I528 HydrophobicContact CZ-CG2 4.1Å; N524-I528 WeakPolarHBondContact O-CG1 3.26Å; N524-I528 PolarHBondContact O-N 3.47Å; N524-I528 VanDerWaalsContact O-N 3.1Å; L525-I528 PolarHBondContact O-N 3.45Å; I528-K531 PolarHBondContact O-N 2.74Å; I528-F532 PolarHBondContact O-N 3Å; I528-V561 HydrophobicContact CG2-CG1 4.43Å; I528-F591 HydrophobicContact CD1-CD1 4.32Å; I528-F591 HydrophobicContact CD1-CD2 3.65Å; I528-F591 HydrophobicContact CD1-CE1 4.18Å; I528-F591 HydrophobicContact CD1-CE2 3.48Å; I528-F591 VanDerWaalsContact CD1-CE2 3.48Å; I528-F591 HydrophobicContact CD1-CG 4.06Å; I528-F591 HydrophobicContact CD1-CZ 3.76Å; I528-I616 HydrophobicContact CG2-CG2 4Å
529L85.9Confident83.9Confident20 Ų2052.6 Ų52.611%0.10530%0.3CS..Hα-helixtrans-62.5-46.6178.5-69.6170.8000111.6L525 K531 F532 V533 I551 V561L525-L529 HydrophobicContact CD1-CD1 4.34Å; L525-L529 HydrophobicContact CD1-CG 4.45Å; L525-L529 HydrophobicContact CG-CD1 4.07Å; L525-L529 WeakPolarHBondContact O-CG 3.49Å; L525-L529 PolarHBondContact O-N 3.37Å; L529-K531 PolarHBondContact O-N 3.42Å; L529-F532 PolarHBondContact O-N 2.79Å; L529-V533 WeakPolarHBondContact O-CG2 3.4Å; L529-V533 PolarHBondContact O-N 3.48Å; L529-I551 HydrophobicContact CD2-CD1 3.77Å; L529-I551 HydrophobicContact CD2-CG1 4.22Å; L529-V561 HydrophobicContact CD2-CB 4.06Å; L529-V561 HydrophobicContact CD2-CG2 3.83Å
530D85.5Confident83.6Confident80 Ų8058.3 Ų58.343%0.42834%0.338SS..Hα-helixtrans-60.9-42.4177.5179.562.8000112.3A526 F532 V533 K534A526-D530 WeakPolarHBondContact O-CB 3.42Å; A526-D530 PolarHBondContact O-N 3.05Å; D530-F532 VanDerWaalsContact C-N 3.33Å; D530-F532 PolarHBondContact O-N 3.39Å; D530-V533 PolarHBondContact O-N 3.47Å; D530-K534 WeakPolarHBondContact O-CG 3.37Å; D530-K534 PolarHBondContact O-N 3.33Å; D530-K534 IonicContact OD1-NZ 4Å; D530-K534 WeakPolarHBondContact OD2-CE 3.27Å; D530-K534 IonicContact OD2-NZ 3.97Å; D530-K534 PolarHBondContact OD2-NZ 2.92Å
531K86.6Confident83.4Confident78 Ų7857.4 Ų57.434%0.33933%0.328SS..Hα-helixtrans-60.9-44175.3-171-179.1174.1-168.40110.9T527 I528 L529 K534 L535 Q615 I616T527-K531 WeakPolarHBondContact O-CB 3.44Å; T527-K531 PolarHBondContact O-N 3.09Å; I528-K531 PolarHBondContact O-N 2.74Å; L529-K531 PolarHBondContact O-N 3.42Å; K531-K534 PolarHBondContact O-N 3.43Å; K531-L535 WeakPolarHBondContact O-CG 3.37Å; K531-L535 PolarHBondContact O-N 3.14Å; K531-L535 VanDerWaalsContact O-N 3.12Å; K531-Q615 WeakPolarHBondContact CE-O 3.43Å; K531-Q615 PolarHBondContact NZ-O 2.99Å; K531-I616 HydrophobicContact CB-CD1 4Å; K531-I616 HydrophobicContact CD-CD1 3.64Å; K531-I616 HydrophobicContact CG-CD1 3.63Å
532F86.9Confident83.2Confident2 Ų262.5 Ų62.51%0.00935%0.354CS..Hα-helixtrans-68.2-40.8179.6-172.5-110.6000112.7I528 L529 D530 K534 L535 C536 I551 F553 V559 L608 F612 I616I528-F532 PolarHBondContact O-N 3Å; L529-F532 PolarHBondContact O-N 2.79Å; D530-F532 VanDerWaalsContact C-N 3.33Å; D530-F532 PolarHBondContact O-N 3.39Å; F532-K534 PolarHBondContact O-N 3.23Å; F532-L535 WeakPolarHBondContact O-CB 3.2Å; F532-L535 PolarHBondContact O-N 3.16Å; F532-L535 VanDerWaalsContact O-N 3.12Å; F532-C536 VanDerWaalsContact CE1-SG 3.59Å; F532-C536 PolarHBondContact O-N 3.32Å; F532-C536 PolarHBondContact O-SG 3.47Å; F532-I551 HydrophobicContact CD1-CD1 3.64Å; F532-I551 HydrophobicContact CE1-CD1 4.34Å; F532-F553 HydrophobicContact CE1-CE2 4.22Å; F532-F553 HydrophobicContact CE1-CZ 4.16Å; F532-V559 HydrophobicContact CD1-CG1 4.37Å; F532-V559 HydrophobicContact CE1-CB 4.12Å; F532-V559 HydrophobicContact CE1-CG1 3.83Å; F532-V559 HydrophobicContact CE1-CG2 3.95Å; F532-V559 HydrophobicContact CZ-CG1 4.37Å; F532-V559 HydrophobicContact CZ-CG2 4.28Å; F532-L608 HydrophobicContact CE1-CD2 4.48Å; F532-L608 HydrophobicContact CZ-CB 4.37Å; F532-L608 HydrophobicContact CZ-CD2 3.91Å; F532-F612 AromaticContact CD2-CD2 3.68Å; F532-F612 HydrophobicContact CD2-CD2 3.68Å; F532-F612 HydrophobicContact CD2-CE2 4.46Å; F532-F612 HydrophobicContact CE2-CB 3.93Å; F532-F612 AromaticContact CE2-CD2 3.73Å; F532-F612 HydrophobicContact CE2-CD2 3.73Å; F532-F612 HydrophobicContact CE2-CG 4.35Å; F532-F612 HydrophobicContact CG-CD2 4.24Å; F532-F612 HydrophobicContact CZ-CD2 4.34Å; F532-I616 HydrophobicContact CB-CD1 4.25Å; F532-I616 HydrophobicContact CB-CG1 4.44Å; F532-I616 HydrophobicContact CD2-CG1 4.01Å
533V86Confident83.1Confident31 Ų3163.2 Ų63.219%0.18836%0.357CS..Hα-helixtrans-60.6-44175.4171.90000111.2L529 D530 L535 C536 S537 I546 I551L529-V533 WeakPolarHBondContact O-CG2 3.4Å; L529-V533 PolarHBondContact O-N 3.48Å; D530-V533 PolarHBondContact O-N 3.47Å; V533-L535 VanDerWaalsContact C-N 3.26Å; V533-L535 PolarHBondContact O-N 3.37Å; V533-C536 PolarHBondContact O-N 2.93Å; V533-S537 PolarHBondContact O-N 2.89Å; V533-I546 HydrophobicContact CG1-CD1 4.33Å; V533-I546 HydrophobicContact CG2-CD1 3.82Å; V533-I546 HydrophobicContact CG2-CG1 4.4Å; V533-I551 HydrophobicContact CG2-CD1 3.7Å; V533-I551 HydrophobicContact CG2-CG1 4.28Å
534K86.1Confident83.2Confident120 Ų12062.4 Ų62.452%0.52235%0.35SS..Hα-helixtrans-63.7-28175-76171.8178.3162.10113.9D530 K531 F532 S537D530-K534 WeakPolarHBondContact O-CG 3.37Å; D530-K534 PolarHBondContact O-N 3.33Å; D530-K534 IonicContact OD1-NZ 4Å; D530-K534 WeakPolarHBondContact OD2-CE 3.27Å; D530-K534 IonicContact OD2-NZ 3.97Å; D530-K534 PolarHBondContact OD2-NZ 2.92Å; K531-K534 PolarHBondContact O-N 3.43Å; F532-K534 PolarHBondContact O-N 3.23Å; K534-S537 PolarHBondContact O-OG 3.13Å
535L85.3Confident83.2Confident18 Ų1864 Ų649%0.09435%0.354CS..Hα-helixtrans-74-44.2173-72.6174.3000110.7K531 F532 V533 S537 K538 M611 Q615 I616K531-L535 WeakPolarHBondContact O-CG 3.37Å; K531-L535 PolarHBondContact O-N 3.14Å; K531-L535 VanDerWaalsContact O-N 3.12Å; F532-L535 WeakPolarHBondContact O-CB 3.2Å; F532-L535 PolarHBondContact O-N 3.16Å; F532-L535 VanDerWaalsContact O-N 3.12Å; V533-L535 VanDerWaalsContact C-N 3.26Å; V533-L535 PolarHBondContact O-N 3.37Å; L535-S537 VanDerWaalsContact C-N 3.3Å; L535-S537 PolarHBondContact O-N 3.18Å; L535-K538 WeakPolarHBondContact O-CB 3.37Å; L535-K538 PolarHBondContact O-N 2.81Å; L535-M611 HydrophobicContact CB-CE 3.97Å; L535-M611 WeakPolarHBondContact O-CE 3.38Å; L535-Q615 HydrophobicContact CD1-CB 3.69Å; L535-I616 HydrophobicContact CD1-CD1 3.7Å; L535-I616 HydrophobicContact CD1-CG1 4.15Å
536C84.4Confident83.2Confident2 Ų267.5 Ų67.51%0.01437%0.371CS..Hα-helixtrans-68.9-27-179.2-60.80000112.8F532 V533 K538 L539 F553 L608F532-C536 VanDerWaalsContact CE1-SG 3.59Å; F532-C536 PolarHBondContact O-N 3.32Å; F532-C536 PolarHBondContact O-SG 3.47Å; V533-C536 PolarHBondContact O-N 2.93Å; C536-K538 PolarHBondContact O-N 3.19Å; C536-L539 VanDerWaalsContact O-CB 3.29Å; C536-L539 WeakPolarHBondContact O-CB 3.37Å; C536-L539 PolarHBondContact O-N 3Å; C536-F553 HydrophobicContact CB-CE1 3.64Å; C536-F553 HydrophobicContact CB-CZ 3.82Å; C536-F553 VanDerWaalsContact SG-CZ 3.59Å; C536-L608 VanDerWaalsContact SG-CD2 3.59Å
537S82Confident83Confident88 Ų8868.4 Ų68.462%0.61537%0.37SS*.THydrogen-bonded Turntrans-64.6-8.6174.869.80000114.2V533 K534 L535V533-S537 PolarHBondContact O-N 2.89Å; K534-S537 PolarHBondContact O-OG 3.13Å; L535-S537 VanDerWaalsContact C-N 3.3Å; L535-S537 PolarHBondContact O-N 3.18Å
538K80.7Confident82.8Confident163 Ų16376.3 Ų76.371%0.70939%0.392SS*.THydrogen-bonded Turntrans-86.7-10.5172.2-60.1179.5-178.31770113L535 C536L535-K538 WeakPolarHBondContact O-CB 3.37Å; L535-K538 PolarHBondContact O-N 2.81Å; C536-K538 PolarHBondContact O-N 3.19Å
539L80.3Confident82.5Confident21 Ų2178.7 Ų78.711%0.1141%0.405CS..SBendtrans-81.5146.5177.6-64.4176.7000110.1C536 I541 Q607 L608 M611C536-L539 VanDerWaalsContact O-CB 3.29Å; C536-L539 WeakPolarHBondContact O-CB 3.37Å; C536-L539 PolarHBondContact O-N 3Å; L539-I541 HydrophobicContact CB-CD1 3.78Å; L539-I541 HydrophobicContact CB-CG1 3.75Å; L539-I541 HydrophobicContact CB-CG2 4.35Å; L539-I541 HydrophobicContact CD1-CD1 3.72Å; L539-I541 HydrophobicContact CG-CD1 4.41Å; L539-I541 PolarHBondContact O-N 3.11Å; L539-Q607 HydrophobicContact CD2-CG 4.47Å; L539-L608 HydrophobicContact CD1-CD2 4.1Å; L539-M611 HydrophobicContact CD1-CE 4.2Å; L539-M611 HydrophobicContact CD1-SD 3.72Å; L539-M611 HydrophobicContact CD2-CE 4.44Å; L539-M611 HydrophobicContact CD2-SD 3.79Å; L539-M611 HydrophobicContact CG-CE 4.21Å; L539-M611 HydrophobicContact CG-SD 3.99Å
540P78.3Confident82.5Confident130 Ų13082.3 Ų82.384%0.84442%0.421SS*.SBendtrans-7858.8175.135.1-35.8000110.5
541I77.7Confident82.6Confident48 Ų4878.6 Ų78.625%0.24640%0.401CS..SBendtrans-131.2159.6-17964.4-175.5000109.9L539 F553 L604L539-I541 HydrophobicContact CB-CD1 3.78Å; L539-I541 HydrophobicContact CB-CG1 3.75Å; L539-I541 HydrophobicContact CB-CG2 4.35Å; L539-I541 HydrophobicContact CD1-CD1 3.72Å; L539-I541 HydrophobicContact CG-CD1 4.41Å; L539-I541 PolarHBondContact O-N 3.11Å; I541-F553 HydrophobicContact CD1-CD1 3.6Å; I541-F553 HydrophobicContact CD1-CE1 3.97Å; I541-L604 HydrophobicContact CD1-CD1 4.06Å; I541-L604 HydrophobicContact CG2-CD1 4.2Å
542D77.7Confident82.6Confident119 Ų11976.8 Ų76.864%0.63640%0.395SS*.PPolyproline II helixtrans-59.9146.9175.5-72.3-32.8000111.4
543P79.9Confident82.5Confident115 Ų11576.8 Ų76.875%0.74740%0.395SS*.PPolyproline II helixtrans-58.2131.1179.222.3-31.9000110.6
544P83.9Confident82.1Confident28 Ų2878.7 Ų78.718%0.18240%0.404CS..PPolyproline II helixtrans-69150-176.626.2-33.3000112.3I551 L552 F553P544-I551 HydrophobicContact CB-CG2 3.53Å; P544-I551 HydrophobicContact CG-CG2 3.99Å; P544-L552 CarbonylContact C-O 3.58Å; P544-L552 VanDerWaalsContact CA-O 3.26Å; P544-L552 WeakPolarHBondContact CA-O 3.48Å; P544-L552 WeakPolarHBondContact CB-O 3.22Å; P544-F553 HydrophobicContact CB-CD1 3.7Å; P544-F553 HydrophobicContact CB-CE1 3.56Å; P544-F553 HydrophobicContact CB-CG 4.25Å; P544-F553 HydrophobicContact CB-CZ 4.02Å; P544-F553 HydrophobicContact CG-CD1 4.26Å; P544-F553 HydrophobicContact CG-CE1 3.72Å; P544-F553 HydrophobicContact CG-CZ 4.22Å
545K84.5Confident81.5Confident115 Ų11578.3 Ų78.350%0.541%0.408SS..EExtended strand (participates in β ladder)trans-86.5126.9169.8-63.7172.4-171158.80109L552 D555K545-L552 HydrophobicContact CB-CB 4.28Å; K545-L552 HydrophobicContact CD-CD2 4.37Å; K545-L552 PolarHBondContact N-O 2.91Å; K545-L552 PolarHBondContact O-N 2.78Å; K545-D555 IonicContact NZ-OD1 3.91Å; K545-D555 PolarHBondContact NZ-OD1 2.92Å; K545-D555 IonicContact NZ-OD2 2.71Å; K545-D555 PolarHBondContact NZ-OD2 3Å
546I82.3Confident81.2Confident102 Ų10278.8 Ų78.852%0.52341%0.413SS..EExtended strand (participates in β ladder)trans-101.8123.6178.8-55.4172.3000108.8V533 Q550V533-I546 HydrophobicContact CG1-CD1 4.33Å; V533-I546 HydrophobicContact CG2-CD1 3.82Å; V533-I546 HydrophobicContact CG2-CG1 4.4Å; I546-Q550 WeakPolarHBondContact CA-O 3.41Å
547V79Confident81.3Confident87 Ų8778.7 Ų78.753%0.52741%0.412SS..EExtended strand (participates in β ladder)trans-130.3104177.6-173.10000108.3N549 Q550V547-N549 PolarHBondContact O-N 2.86Å; V547-N549 VanDerWaalsContact O-N 3.1Å; V547-Q550 PolarHBondContact N-O 2.82Å; V547-Q550 WeakPolarHBondContact O-CB 3.48Å; V547-Q550 PolarHBondContact O-N 2.91Å
548R80Confident81.7Confident231 Ų23176.4 Ų76.487%0.87240%0.395SS*.THydrogen-bonded Turntrans54.8-112.2-175.8-59177.3177.1174.3-1.4111.6
549N79.8Confident82.1Confident55 Ų5568.7 Ų68.729%0.29436%0.361SS..THydrogen-bonded Turntrans-98.313.3-178.5-59.4-7.5000112.4L525 V547 S560 V561L525-N549 HydrophobicContact CD2-CB 4.39Å; L525-N549 WeakPolarHBondContact CD2-ND2 3.3Å; V547-N549 PolarHBondContact O-N 2.86Å; V547-N549 VanDerWaalsContact O-N 3.1Å; N549-S560 WeakPolarHBondContact O-CA 3.39Å; N549-V561 WeakPolarHBondContact CB-O 3.46Å; N549-V561 PolarHBondContact O-N 2.8Å
550Q84.8Confident82.5Confident96 Ų9668.4 Ų68.445%0.44936%0.361SS..EExtended strand (participates in β ladder)trans-117.9141.6-176.9-58.1-175.4-13.200111.4I546 V547 V558 V559I546-Q550 WeakPolarHBondContact CA-O 3.41Å; V547-Q550 PolarHBondContact N-O 2.82Å; V547-Q550 WeakPolarHBondContact O-CB 3.48Å; V547-Q550 PolarHBondContact O-N 2.91Å; Q550-V558 HydrophobicContact CB-CG1 4.34Å; Q550-V559 CarbonylContact C-O 3.58Å; Q550-V559 WeakPolarHBondContact CA-O 3.44Å
551I87.6Confident82.9Confident1 Ų162.3 Ų62.31%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-120.2118.5175.8-54.8168.6000107.1L529 F532 V533 P544 F553 V558 V559L529-I551 HydrophobicContact CD2-CD1 3.77Å; L529-I551 HydrophobicContact CD2-CG1 4.22Å; F532-I551 HydrophobicContact CD1-CD1 3.64Å; F532-I551 HydrophobicContact CE1-CD1 4.34Å; V533-I551 HydrophobicContact CG2-CD1 3.7Å; V533-I551 HydrophobicContact CG2-CG1 4.28Å; P544-I551 HydrophobicContact CB-CG2 3.53Å; P544-I551 HydrophobicContact CG-CG2 3.99Å; I551-F553 HydrophobicContact CB-CE2 4.15Å; I551-F553 HydrophobicContact CG2-CD2 4.21Å; I551-F553 HydrophobicContact CG2-CE1 4.31Å; I551-F553 HydrophobicContact CG2-CE2 3.42Å; I551-F553 VanDerWaalsContact CG2-CE2 3.42Å; I551-F553 HydrophobicContact CG2-CZ 3.48Å; I551-F553 VanDerWaalsContact CG2-CZ 3.48Å; I551-V558 WeakPolarHBondContact O-CA 3.41Å; I551-V559 HydrophobicContact CB-CB 4.37Å; I551-V559 PolarHBondContact N-O 2.88Å; I551-V559 PolarHBondContact O-N 3.15Å
552L87.8Confident83.2Confident41 Ų4161 Ų6122%0.21532%0.316CS..EExtended strand (participates in β ladder)trans-106.9121.8-176.2-179.471.1000110P544 K545 D555 V557 V558P544-L552 CarbonylContact C-O 3.58Å; P544-L552 VanDerWaalsContact CA-O 3.26Å; P544-L552 WeakPolarHBondContact CA-O 3.48Å; P544-L552 WeakPolarHBondContact CB-O 3.22Å; K545-L552 HydrophobicContact CB-CB 4.28Å; K545-L552 HydrophobicContact CD-CD2 4.37Å; K545-L552 PolarHBondContact N-O 2.91Å; K545-L552 PolarHBondContact O-N 2.78Å; L552-D555 WeakPolarHBondContact CD2-OD1 3.31Å; L552-V557 CarbonylContact C-O 3.5Å; L552-V557 WeakPolarHBondContact CA-O 3.39Å; L552-V558 HydrophobicContact CD1-CG2 3.62Å
553F85.4Confident83.4Confident1 Ų155.7 Ų55.70%0.00429%0.288CS..EExtended strand (participates in β ladder)trans-110.4136.5174.1-54.4-95.3000110F532 C536 I541 P544 I551 D555 S556 V557 V559 L604 L608F532-F553 HydrophobicContact CE1-CE2 4.22Å; F532-F553 HydrophobicContact CE1-CZ 4.16Å; C536-F553 HydrophobicContact CB-CE1 3.64Å; C536-F553 HydrophobicContact CB-CZ 3.82Å; C536-F553 VanDerWaalsContact SG-CZ 3.59Å; I541-F553 HydrophobicContact CD1-CD1 3.6Å; I541-F553 HydrophobicContact CD1-CE1 3.97Å; P544-F553 HydrophobicContact CB-CD1 3.7Å; P544-F553 HydrophobicContact CB-CE1 3.56Å; P544-F553 HydrophobicContact CB-CG 4.25Å; P544-F553 HydrophobicContact CB-CZ 4.02Å; P544-F553 HydrophobicContact CG-CD1 4.26Å; P544-F553 HydrophobicContact CG-CE1 3.72Å; P544-F553 HydrophobicContact CG-CZ 4.22Å; I551-F553 HydrophobicContact CB-CE2 4.15Å; I551-F553 HydrophobicContact CG2-CD2 4.21Å; I551-F553 HydrophobicContact CG2-CE1 4.31Å; I551-F553 HydrophobicContact CG2-CE2 3.42Å; I551-F553 VanDerWaalsContact CG2-CE2 3.42Å; I551-F553 HydrophobicContact CG2-CZ 3.48Å; I551-F553 VanDerWaalsContact CG2-CZ 3.48Å; F553-D555 PolarHBondContact O-N 3.07Å; F553-S556 PolarHBondContact O-N 3.48Å; F553-V557 HydrophobicContact CB-CB 4.19Å; F553-V557 PolarHBondContact N-O 3.02Å; F553-V557 PolarHBondContact O-N 3.36Å; F553-V559 HydrophobicContact CD2-CG2 4.43Å; F553-V559 HydrophobicContact CE2-CG2 3.94Å; F553-L604 HydrophobicContact CB-CD2 4.17Å; F553-L608 HydrophobicContact CD2-CD1 3.66Å; F553-L608 HydrophobicContact CE1-CD2 4.33Å; F553-L608 HydrophobicContact CE2-CD1 3.84Å; F553-L608 HydrophobicContact CE2-CD2 4.14Å; F553-L608 HydrophobicContact CG-CD1 4.11Å; F553-L608 HydrophobicContact CZ-CD1 4.43Å; F553-L608 HydrophobicContact CZ-CD2 3.97Å
554N76Confident83Confident72 Ų7250.2 Ų50.239%0.38525%0.252SS..THydrogen-bonded Turntrans46.832.3177.1-63.2-1.1000114.3S556N554-S556 WeakPolarHBondContact O-CB 3.49Å; N554-S556 PolarHBondContact O-N 3.11Å; N554-S556 PolarHBondContact O-OG 3.18Å
555D74.6Confident82.2Confident111 Ų11151.2 Ų51.259%0.59426%0.255SS*.THydrogen-bonded Turntrans50.916.1-174.6-64.5-35.9000115.5K545 L552 F553K545-D555 IonicContact NZ-OD1 3.91Å; K545-D555 PolarHBondContact NZ-OD1 2.92Å; K545-D555 IonicContact NZ-OD2 2.71Å; K545-D555 PolarHBondContact NZ-OD2 3Å; L552-D555 WeakPolarHBondContact CD2-OD1 3.31Å; F553-D555 PolarHBondContact O-N 3.07Å
556S79Confident81.5Confident28 Ų2852.4 Ų52.420%0.19627%0.266CS..THydrogen-bonded Turntrans-142.9-13.2-166.851.80000114.8F553 N554 N601F553-S556 PolarHBondContact O-N 3.48Å; N554-S556 WeakPolarHBondContact O-CB 3.49Å; N554-S556 PolarHBondContact O-N 3.11Å; N554-S556 PolarHBondContact O-OG 3.18Å; S556-N601 WeakPolarHBondContact CB-ND2 3.44Å; S556-N601 PolarHBondContact OG-ND2 3.23Å
557V86.2Confident80.7Confident0 Ų049.9 Ų49.90%025%0.254CS..EExtended strand (participates in β ladder)trans-118.9122.5171.7-174.30000109.8L552 F553 V595 T596 N601 L604 L608L552-V557 CarbonylContact C-O 3.5Å; L552-V557 WeakPolarHBondContact CA-O 3.39Å; F553-V557 HydrophobicContact CB-CB 4.19Å; F553-V557 PolarHBondContact N-O 3.02Å; F553-V557 PolarHBondContact O-N 3.36Å; V557-V595 HydrophobicContact CG1-CG1 4.47Å; V557-T596 CarbonylContact C-O 3.59Å; V557-T596 WeakPolarHBondContact CA-O 3.47Å; V557-N601 HydrophobicContact CG2-CB 3.54Å; V557-L604 HydrophobicContact CG2-CD2 3.97Å; V557-L604 HydrophobicContact CG2-CG 4.28Å; V557-L608 HydrophobicContact CB-CD1 4.48Å; V557-L608 HydrophobicContact CG1-CD1 3.65Å
558V89.8Confident79.7Confident41 Ų4155.5 Ų55.525%0.24827%0.274CS..EExtended strand (participates in β ladder)trans-115.4121.9-178.9-177.40000109Q550 I551 L552 T596Q550-V558 HydrophobicContact CB-CG1 4.34Å; I551-V558 WeakPolarHBondContact O-CA 3.41Å; L552-V558 HydrophobicContact CD1-CG2 3.62Å; V558-T596 PolarHBondContact N-O 3.26Å; V558-T596 PolarHBondContact O-N 2.96Å
559V89.5Confident78.9Confident0 Ų047 Ų470%024%0.244CC..EExtended strand (participates in β ladder)trans-106.8116.4168.7-178.80000108F532 Q550 I551 F553 H594 V595 L608F532-V559 HydrophobicContact CD1-CG1 4.37Å; F532-V559 HydrophobicContact CE1-CB 4.12Å; F532-V559 HydrophobicContact CE1-CG1 3.83Å; F532-V559 HydrophobicContact CE1-CG2 3.95Å; F532-V559 HydrophobicContact CZ-CG1 4.37Å; F532-V559 HydrophobicContact CZ-CG2 4.28Å; Q550-V559 CarbonylContact C-O 3.58Å; Q550-V559 WeakPolarHBondContact CA-O 3.44Å; I551-V559 HydrophobicContact CB-CB 4.37Å; I551-V559 PolarHBondContact N-O 2.88Å; I551-V559 PolarHBondContact O-N 3.15Å; F553-V559 HydrophobicContact CD2-CG2 4.43Å; F553-V559 HydrophobicContact CE2-CG2 3.94Å; V559-H594 CarbonylContact C-O 3.51Å; V559-H594 WeakPolarHBondContact CA-O 3.35Å; V559-V595 HydrophobicContact CG1-CG2 4.36Å; V559-V595 HydrophobicContact CG2-CG1 4.15Å; V559-V595 HydrophobicContact CG2-CG2 4.24Å; V559-L608 HydrophobicContact CG2-CD1 4.39Å
560S88.5Confident78Confident16 Ų1648.9 Ų48.911%0.11225%0.254CS..EExtended strand (participates in β ladder)trans-117.5128176.266.60000110.5N549 C593 H594N549-S560 WeakPolarHBondContact O-CA 3.39Å; S560-C593 CarbonylContact O-C 3.44Å; S560-C593 WeakPolarHBondContact O-CA 3.33Å; S560-H594 PolarHBondContact N-O 2.96Å; S560-H594 PolarHBondContact O-N 3.12Å; S560-H594 WeakPolarHBondContact OG-CB 3.4Å
561V86.4Confident76.9Confident1 Ų150.4 Ų50.41%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-112125.8175-172.10000108.5F519 L525 I528 L529 N549 F591 V592 C593 F612F519-V561 HydrophobicContact CE1-CG1 4.28Å; F519-V561 HydrophobicContact CZ-CG1 4.05Å; L525-V561 HydrophobicContact CD1-CB 3.73Å; L525-V561 HydrophobicContact CD1-CG1 3.47Å; L525-V561 VanDerWaalsContact CD1-CG1 3.47Å; L525-V561 WeakPolarHBondContact CD1-O 3.26Å; I528-V561 HydrophobicContact CG2-CG1 4.43Å; L529-V561 HydrophobicContact CD2-CB 4.06Å; L529-V561 HydrophobicContact CD2-CG2 3.83Å; N549-V561 WeakPolarHBondContact CB-O 3.46Å; N549-V561 PolarHBondContact O-N 2.8Å; V561-F591 HydrophobicContact CG1-CB 4.34Å; V561-V592 CarbonylContact C-O 3.58Å; V561-V592 WeakPolarHBondContact CA-O 3.25Å; V561-C593 HydrophobicContact CG2-CB 4.37Å; V561-F612 HydrophobicContact CG2-CE2 4.3Å; V561-F612 HydrophobicContact CG2-CZ 4.5Å
562C84.4Confident75.8Confident22 Ų2256.3 Ų56.315%0.14929%0.293CS..EExtended strand (participates in β ladder)trans-122.4147.5-174.6-65.50000111.2D567 F569 F591 V592C562-D567 WeakPolarHBondContact CA-OD2 3.39Å; C562-D567 HydrophobicContact CB-CB 4.33Å; C562-D567 WeakPolarHBondContact CB-OD2 3.37Å; C562-F569 HydrophobicContact CB-CE2 3.67Å; C562-F569 HydrophobicContact CB-CZ 3.93Å; C562-F591 WeakPolarHBondContact O-CA 3.24Å; C562-V592 PolarHBondContact N-O 3.48Å; C562-V592 PolarHBondContact O-N 3.04Å
563D82.4Confident74.4Confident6 Ų656.1 Ų56.13%0.03229%0.293CS..  trans-100.6111.8167.8-178.5-22.9000107.2M565 L566 D567 R581 F591D563-M565 PolarHBondContact O-N 3.37Å; D563-M565 WeakPolarHBondContact OD1-CB 3.14Å; D563-M565 PolarHBondContact OD1-N 3.09Å; D563-L566 HydrophobicContact CB-CB 4.22Å; D563-L566 HydrophobicContact CB-CD1 4.06Å; D563-L566 HydrophobicContact CB-CG 4.31Å; D563-L566 PolarHBondContact O-N 3.17Å; D563-D567 PolarHBondContact N-OD2 3.06Å; D563-D567 PolarHBondContact O-N 3.03Å; D563-R581 IonicContact OD1-CZ 2.68Å; D563-R581 IonicContact OD1-NH2 3.74Å; D563-R581 PolarHBondContact OD1-NH2 3.14Å; D563-R581 IonicContact OD2-NH2 3.95Å; D563-R581 PolarHBondContact OD2-NH2 3.03Å; D563-F591 HydrophobicContact CB-CD1 4.23Å; D563-F591 HydrophobicContact CB-CE1 4.13Å
564P72Confident73.4Confident0 Ų061.9 Ų61.90%032%0.315CS..THydrogen-bonded Turntrans-57-15-176.2-25.734.6000115.3F569 T573 E590 V592P564-F569 HydrophobicContact CB-CB 4.45Å; P564-F569 HydrophobicContact CB-CD2 4.24Å; P564-F569 HydrophobicContact CB-CG 4.16Å; P564-T573 HydrophobicContact CB-CG2 4.06Å; P564-T573 HydrophobicContact CG-CG2 4.25Å; P564-E590 WeakPolarHBondContact CD-O 3.39Å; P564-V592 HydrophobicContact CG-CG2 3.8Å
565M67.3Low72.8Confident50 Ų5065.2 Ų65.225%0.24633%0.328CS..THydrogen-bonded Turntrans-90.9-19.4177.6-68.7-74.3-104.700113.6D563 R574 T578D563-M565 PolarHBondContact O-N 3.37Å; D563-M565 WeakPolarHBondContact OD1-CB 3.14Å; D563-M565 PolarHBondContact OD1-N 3.09Å; M565-R574 HydrophobicContact SD-CG 3.86Å; M565-T578 HydrophobicContact CE-CG2 4.11Å; M565-T578 WeakPolarHBondContact CE-OG1 3.4Å; M565-T578 PolarHBondContact SD-OG1 2.87Å; M565-T578 VanDerWaalsContact SD-OG1 3.37Å
566L68.7Low72.3Confident139 Ų13967.4 Ų67.473%0.72833%0.328SS*.THydrogen-bonded Turntrans-105.6-29.9-179.2-67172.3000112.3D563D563-L566 HydrophobicContact CB-CB 4.22Å; D563-L566 HydrophobicContact CB-CD1 4.06Å; D563-L566 HydrophobicContact CB-CG 4.31Å; D563-L566 PolarHBondContact O-N 3.17Å
567D66.2Low71.4Confident49 Ų4966.1 Ų66.126%0.26232%0.319SS..SBendtrans-99153.9-179-61.9-48.1000110.8C562 D563 F569C562-D567 WeakPolarHBondContact CA-OD2 3.39Å; C562-D567 HydrophobicContact CB-CB 4.33Å; C562-D567 WeakPolarHBondContact CB-OD2 3.37Å; D563-D567 PolarHBondContact N-OD2 3.06Å; D563-D567 PolarHBondContact O-N 3.03Å; D567-F569 HydrophobicContact CB-CD2 4.04Å; D567-F569 HydrophobicContact CB-CE2 3.98Å; D567-F569 PolarHBondContact O-N 3.45Å
568E58.4Low70.4Confident206 Ų20667.9 Ų67.996%0.96333%0.33SS*.  trans-67.199.4177.1-71.8-176.7167.900110.6
569F62Low69.1Low52 Ų5268.4 Ų68.423%0.22834%0.338CS..  trans-117.2160.7173-88.1-98.9000110.7C562 P564 D567 T573 V592C562-F569 HydrophobicContact CB-CE2 3.67Å; C562-F569 HydrophobicContact CB-CZ 3.93Å; P564-F569 HydrophobicContact CB-CB 4.45Å; P564-F569 HydrophobicContact CB-CD2 4.24Å; P564-F569 HydrophobicContact CB-CG 4.16Å; D567-F569 HydrophobicContact CB-CD2 4.04Å; D567-F569 HydrophobicContact CB-CE2 3.98Å; D567-F569 PolarHBondContact O-N 3.45Å; F569-T573 HydrophobicContact CD1-CG2 3.82Å; F569-T573 HydrophobicContact CE1-CG2 4.46Å; F569-T573 HydrophobicContact CG-CG2 4.46Å; F569-V592 HydrophobicContact CE1-CB 4.23Å; F569-V592 HydrophobicContact CE1-CG1 4.29Å; F569-V592 HydrophobicContact CE1-CG2 3.99Å; F569-V592 HydrophobicContact CZ-CB 3.97Å; F569-V592 HydrophobicContact CZ-CG1 4.25Å; F569-V592 HydrophobicContact CZ-CG2 4.12Å
570D60.1Low67.5Low94 Ų9472 Ų7250%0.50336%0.357SS..  trans-59.515317258.654.4000112.2E572 T573 R574D570-E572 PolarHBondContact O-N 3.15Å; D570-E572 PolarHBondContact OD1-N 2.95Å; D570-T573 PolarHBondContact O-N 3.24Å; D570-T573 WeakPolarHBondContact OD1-CB 3.49Å; D570-T573 PolarHBondContact OD1-N 3.16Å; D570-T573 PolarHBondContact OD1-OG1 2.9Å; D570-T573 PolarHBondContact OD2-OG1 2.88Å; D570-R574 PolarHBondContact O-N 2.85Å; D570-R574 VanDerWaalsContact O-N 3.11Å
571D62.5Low66.2Low128 Ų12875.1 Ų75.168%0.68437%0.366SS*.Hα-helixtrans-58.7-30.7-176.2-76.8-32.7000112.1R574 E575D571-R574 PolarHBondContact O-N 2.82Å; D571-E575 WeakPolarHBondContact O-CB 3.41Å; D571-E575 WeakPolarHBondContact O-CG 3.44Å; D571-E575 PolarHBondContact O-N 2.84Å
572E63.6Low64.9Low126 Ų12685.1 Ų85.159%0.58940%0.404SS*.Hα-helixtrans-69.7-44-178.9-159-177.1170.500112.1D570 R574 E575 R576D570-E572 PolarHBondContact O-N 3.15Å; D570-E572 PolarHBondContact OD1-N 2.95Å; E572-R574 VanDerWaalsContact C-N 3.34Å; E572-E575 PolarHBondContact O-N 3.5Å; E572-R576 PolarHBondContact O-N 2.87Å
573T60.2Low63.5Low36 Ų3689.7 Ų89.722%0.22143%0.431CS..Hα-helixtrans-67.6-39176.1-54.20000110.7P564 F569 D570 R576 S577P564-T573 HydrophobicContact CB-CG2 4.06Å; P564-T573 HydrophobicContact CG-CG2 4.25Å; F569-T573 HydrophobicContact CD1-CG2 3.82Å; F569-T573 HydrophobicContact CE1-CG2 4.46Å; F569-T573 HydrophobicContact CG-CG2 4.46Å; D570-T573 PolarHBondContact O-N 3.24Å; D570-T573 WeakPolarHBondContact OD1-CB 3.49Å; D570-T573 PolarHBondContact OD1-N 3.16Å; D570-T573 PolarHBondContact OD1-OG1 2.9Å; D570-T573 PolarHBondContact OD2-OG1 2.88Å; T573-R576 PolarHBondContact O-N 3.47Å; T573-S577 PolarHBondContact O-N 3.2Å
574R63.4Low62Low123 Ų12390.9 Ų90.946%0.46444%0.442SS..Hα-helixtrans-67-41.2177-156.5175.4-178-177.44.4111.7M565 D570 D571 E572 T578M565-R574 HydrophobicContact SD-CG 3.86Å; D570-R574 PolarHBondContact O-N 2.85Å; D570-R574 VanDerWaalsContact O-N 3.11Å; D571-R574 PolarHBondContact O-N 2.82Å; E572-R574 VanDerWaalsContact C-N 3.34Å; R574-T578 WeakPolarHBondContact O-CB 3.31Å; R574-T578 PolarHBondContact O-N 3.24Å; R574-T578 PolarHBondContact O-OG1 3.15Å
575E63.6Low61.1Low141 Ų14198.4 Ų98.466%0.65948%0.482SS*.Hα-helixtrans-63.2-43.6173.5-84.6-169.3158.100112.1D571 E572 T578 A579D571-E575 WeakPolarHBondContact O-CB 3.41Å; D571-E575 WeakPolarHBondContact O-CG 3.44Å; D571-E575 PolarHBondContact O-N 2.84Å; E572-E575 PolarHBondContact O-N 3.5Å; E575-T578 PolarHBondContact O-N 3.17Å; E575-A579 WeakPolarHBondContact O-CB 3.24Å; E575-A579 PolarHBondContact O-N 3.09Å
576R63.3Low60.5Low158 Ų158104.6 Ų104.660%0.59652%0.515SS*.Hα-helixtrans-59.8-49.3174.9-80.4-176.2-179.9-175.75.3112.5E572 T573 T578 A579 L580E572-R576 PolarHBondContact O-N 2.87Å; T573-R576 PolarHBondContact O-N 3.47Å; R576-T578 VanDerWaalsContact C-N 3.28Å; R576-T578 PolarHBondContact O-N 3.4Å; R576-A579 PolarHBondContact O-N 2.83Å; R576-L580 WeakPolarHBondContact O-CB 3.33Å; R576-L580 PolarHBondContact O-N 3.11Å
577S60.7Low60.1Low0 Ų0105.6 Ų105.60%052%0.516CS..Hα-helixtrans-62-35.7176.1-90.40000112.4T573 R581 E590T573-S577 PolarHBondContact O-N 3.2Å; S577-R581 WeakPolarHBondContact O-CB 3.36Å; S577-R581 VanDerWaalsContact O-CG 3.32Å; S577-R581 WeakPolarHBondContact O-CG 3.32Å; S577-R581 PolarHBondContact O-N 3.23Å; S577-R581 VanDerWaalsContact O-N 3.09Å; S577-E590 WeakPolarHBondContact CA-OE2 3.36Å; S577-E590 PolarHBondContact OG-OE2 2.69Å
578T64.6Low60.1Low38 Ų38105.7 Ų105.723%0.23352%0.52CS..Hα-helixtrans-69.1-41.8175-52.60000111.7M565 R574 E575 R576 R581 R582M565-T578 HydrophobicContact CE-CG2 4.11Å; M565-T578 WeakPolarHBondContact CE-OG1 3.4Å; M565-T578 PolarHBondContact SD-OG1 2.87Å; M565-T578 VanDerWaalsContact SD-OG1 3.37Å; R574-T578 WeakPolarHBondContact O-CB 3.31Å; R574-T578 PolarHBondContact O-N 3.24Å; R574-T578 PolarHBondContact O-OG1 3.15Å; E575-T578 PolarHBondContact O-N 3.17Å; R576-T578 VanDerWaalsContact C-N 3.28Å; R576-T578 PolarHBondContact O-N 3.4Å; T578-R581 PolarHBondContact O-N 2.78Å; T578-R582 WeakPolarHBondContact O-CG 3.31Å; T578-R582 PolarHBondContact O-N 2.9Å; T578-R582 VanDerWaalsContact O-N 3.11Å
579A62.5Low60.9Low52 Ų52100.2 Ų100.243%0.4349%0.493SS..Hα-helixtrans-64.6-45.4177.200000111.5E575 R576 R581 R582 T583E575-A579 WeakPolarHBondContact O-CB 3.24Å; E575-A579 PolarHBondContact O-N 3.09Å; R576-A579 PolarHBondContact O-N 2.83Å; A579-R581 PolarHBondContact O-N 3.15Å; A579-R582 WeakPolarHBondContact O-CB 3.48Å; A579-R582 PolarHBondContact O-N 2.89Å; A579-T583 PolarHBondContact O-N 3.17Å; A579-T583 PolarHBondContact O-OG1 3.14Å; A579-T583 VanDerWaalsContact O-OG1 3.05Å
580L57.1Low61.8Low74 Ų7499.1 Ų99.139%0.38749%0.489SS..Hα-helixtrans-61.3-41.9175.9-87.5152.8000112.5R576 R582 T583 A584 E590R576-L580 WeakPolarHBondContact O-CB 3.33Å; R576-L580 PolarHBondContact O-N 3.11Å; L580-R582 VanDerWaalsContact C-N 3.25Å; L580-R582 PolarHBondContact O-N 2.82Å; L580-T583 WeakPolarHBondContact CA-OG1 3.38Å; L580-T583 PolarHBondContact O-N 2.76Å; L580-T583 PolarHBondContact O-OG1 3.22Å; L580-A584 VanDerWaalsContact O-CB 3.29Å; L580-A584 WeakPolarHBondContact O-CB 3.36Å; L580-A584 PolarHBondContact O-N 2.76Å; L580-E590 WeakPolarHBondContact CD1-OE2 3.16Å
581R61.2Low63Low83 Ų8394.8 Ų94.831%0.31347%0.466SS..Hα-helixtrans-66.5-23.6173.8-75-179.6-175.4-174.95.3113.2D563 S577 T578 A579D563-R581 IonicContact OD1-CZ 2.68Å; D563-R581 IonicContact OD1-NH2 3.74Å; D563-R581 PolarHBondContact OD1-NH2 3.14Å; D563-R581 IonicContact OD2-NH2 3.95Å; D563-R581 PolarHBondContact OD2-NH2 3.03Å; S577-R581 WeakPolarHBondContact O-CB 3.36Å; S577-R581 VanDerWaalsContact O-CG 3.32Å; S577-R581 WeakPolarHBondContact O-CG 3.32Å; S577-R581 PolarHBondContact O-N 3.23Å; S577-R581 VanDerWaalsContact O-N 3.09Å; T578-R581 PolarHBondContact O-N 2.78Å; A579-R581 PolarHBondContact O-N 3.15Å
582R58.3Low64.1Low211 Ų21188.9 Ų88.980%0.79643%0.434SS*.Hα-helixtrans-82-31.7174.4-75.7175.7177.61761.6112.7T578 A579 L580T578-R582 WeakPolarHBondContact O-CG 3.31Å; T578-R582 PolarHBondContact O-N 2.9Å; T578-R582 VanDerWaalsContact O-N 3.11Å; A579-R582 WeakPolarHBondContact O-CB 3.48Å; A579-R582 PolarHBondContact O-N 2.89Å; L580-R582 VanDerWaalsContact C-N 3.25Å; L580-R582 PolarHBondContact O-N 2.82Å
583T56Low65.3Low117 Ų11782.9 Ų82.972%0.71841%0.406SS*.Hα-helixtrans-90.4-24.8-179.847.20000114.1A579 L580A579-T583 PolarHBondContact O-N 3.17Å; A579-T583 PolarHBondContact O-OG1 3.14Å; A579-T583 VanDerWaalsContact O-OG1 3.05Å; L580-T583 WeakPolarHBondContact CA-OG1 3.38Å; L580-T583 PolarHBondContact O-N 2.76Å; L580-T583 PolarHBondContact O-OG1 3.22Å
584A50.5Low66.7Low31 Ų3183.1 Ų83.126%0.25641%0.405SS..SBendtrans-92.5120.2175.200000109.8L580 L586L580-A584 VanDerWaalsContact O-CB 3.29Å; L580-A584 WeakPolarHBondContact O-CB 3.36Å; L580-A584 PolarHBondContact O-N 2.76Å; A584-L586 VanDerWaalsContact C-N 3.34Å; A584-L586 PolarHBondContact O-N 3.07Å
585N51.8Low68Low158 Ų15877.3 Ų77.385%0.84538%0.383SS*.  trans-50.494.9165.4-91.3-25.2000110.3Q587N585-Q587 PolarHBondContact O-N 2.87Å
586L55.4Low69.3Low180 Ų18072.2 Ų72.294%0.94236%0.362SS*.SBendtrans44.43.3158.2-87.5148.6000121.1A584A584-L586 VanDerWaalsContact C-N 3.34Å; A584-L586 PolarHBondContact O-N 3.07Å
587Q60.6Low70.6Confident161 Ų16165.4 Ų65.475%0.75234%0.336SS*.SBendtrans-115.3-17.1-167.7-71-167.4-11.800116.7S522 N585S522-Q587 WeakPolarHBondContact CA-O 3.26Å; S522-Q587 WeakPolarHBondContact CB-O 3.47Å; N585-Q587 PolarHBondContact O-N 2.87Å
588S66.2Low71.9Confident50 Ų5066.5 Ų66.535%0.3534%0.342SS..  trans-126.3131-179.564.80000113
589K75.1Confident72.8Confident91 Ų9168.8 Ų68.840%0.39635%0.352SS..EExtended strand (participates in β ladder)trans-104.5142.3172.2-63.2178-178.4-176.80109.5S520 S521 F591S520-K589 CarbonylContact C-O 3.56Å; S520-K589 WeakPolarHBondContact CA-O 3.44Å; S521-K589 PolarHBondContact N-O 2.89Å; S521-K589 PolarHBondContact O-N 2.86Å; K589-F591 HydrophobicContact CB-CD2 4.38Å; K589-F591 HydrophobicContact CB-CE2 3.68Å; K589-F591 HydrophobicContact CB-CZ 3.93Å; K589-F591 HydrophobicContact CD-CZ 4.22Å; K589-F591 WeakPolarHBondContact O-CD2 3.12Å
590E81.6Confident73.5Confident30 Ų3071.3 Ų71.314%0.1436%0.355CS..EExtended strand (participates in β ladder)trans-83.4136.7171.3-170.6176.2-150.600109.4V518 F519 P564 S577 L580V518-E590 HydrophobicContact CG1-CG 3.64Å; V518-E590 WeakPolarHBondContact CG1-OE1 3.38Å; F519-E590 WeakPolarHBondContact O-CA 3.49Å; P564-E590 WeakPolarHBondContact CD-O 3.39Å; S577-E590 WeakPolarHBondContact CA-OE2 3.36Å; S577-E590 PolarHBondContact OG-OE2 2.69Å; L580-E590 WeakPolarHBondContact CD1-OE2 3.16Å
591F85.7Confident74.8Confident2 Ų269.3 Ų69.31%0.00935%0.345CS..EExtended strand (participates in β ladder)trans-130.7151.9179.7-67-82000109.6V518 F519 S523 L525 I528 V561 C562 D563 K589V518-F591 WeakPolarHBondContact CA-O 3.27Å; F519-F591 HydrophobicContact CD1-CB 4.12Å; F519-F591 WeakPolarHBondContact CD1-O 3.32Å; F519-F591 HydrophobicContact CE1-CB 3.49Å; F519-F591 VanDerWaalsContact CE1-CB 3.49Å; F519-F591 HydrophobicContact CE2-CB 3.97Å; F519-F591 HydrophobicContact CE2-CD2 4.14Å; F519-F591 HydrophobicContact CE2-CG 4.37Å; F519-F591 HydrophobicContact CZ-CB 3.41Å; F519-F591 VanDerWaalsContact CZ-CB 3.41Å; F519-F591 HydrophobicContact CZ-CD2 4.3Å; F519-F591 HydrophobicContact CZ-CG 4.07Å; F519-F591 PolarHBondContact N-O 3.1Å; F519-F591 PolarHBondContact O-N 3.2Å; S523-F591 WeakPolarHBondContact O-CE2 3.34Å; S523-F591 WeakPolarHBondContact O-CZ 3.43Å; L525-F591 HydrophobicContact CB-CE1 4.15Å; L525-F591 HydrophobicContact CD1-CD1 4.28Å; L525-F591 HydrophobicContact CD1-CE1 4.32Å; I528-F591 HydrophobicContact CD1-CD1 4.32Å; I528-F591 HydrophobicContact CD1-CD2 3.65Å; I528-F591 HydrophobicContact CD1-CE1 4.18Å; I528-F591 HydrophobicContact CD1-CE2 3.48Å; I528-F591 VanDerWaalsContact CD1-CE2 3.48Å; I528-F591 HydrophobicContact CD1-CG 4.06Å; I528-F591 HydrophobicContact CD1-CZ 3.76Å; V561-F591 HydrophobicContact CG1-CB 4.34Å; C562-F591 WeakPolarHBondContact O-CA 3.24Å; D563-F591 HydrophobicContact CB-CD1 4.23Å; D563-F591 HydrophobicContact CB-CE1 4.13Å; K589-F591 HydrophobicContact CB-CD2 4.38Å; K589-F591 HydrophobicContact CB-CE2 3.68Å; K589-F591 HydrophobicContact CB-CZ 3.93Å; K589-F591 HydrophobicContact CD-CZ 4.22Å; K589-F591 WeakPolarHBondContact O-CD2 3.12Å
592V85.5Confident76Confident4 Ų468.9 Ų68.92%0.02435%0.347CS..EExtended strand (participates in β ladder)trans-116.7122.3176-176.70000108.8T516 V518 V561 C562 P564 F569 H594T516-V592 HydrophobicContact CG2-CG1 3.61Å; V518-V592 HydrophobicContact CG2-CG2 4.37Å; V561-V592 CarbonylContact C-O 3.58Å; V561-V592 WeakPolarHBondContact CA-O 3.25Å; C562-V592 PolarHBondContact N-O 3.48Å; C562-V592 PolarHBondContact O-N 3.04Å; P564-V592 HydrophobicContact CG-CG2 3.8Å; F569-V592 HydrophobicContact CE1-CB 4.23Å; F569-V592 HydrophobicContact CE1-CG1 4.29Å; F569-V592 HydrophobicContact CE1-CG2 3.99Å; F569-V592 HydrophobicContact CZ-CB 3.97Å; F569-V592 HydrophobicContact CZ-CG1 4.25Å; F569-V592 HydrophobicContact CZ-CG2 4.12Å; V592-H594 WeakPolarHBondContact CG1-NE2 3.5Å
593C88.2Confident77.3Confident0 Ų062.5 Ų62.50%034%0.339CS..EExtended strand (participates in β ladder)trans-105.4121.2173.7-178.90000109.4T516 H517 F519 S560 V561 F612T516-C593 CarbonylContact C-O 3.57Å; T516-C593 WeakPolarHBondContact CA-O 3.22Å; H517-C593 HydrophobicContact CB-CB 4.41Å; H517-C593 PolarHBondContact N-O 2.86Å; H517-C593 PolarHBondContact O-N 3.41Å; F519-C593 HydrophobicContact CD1-CB 4.47Å; F519-C593 HydrophobicContact CE1-CB 3.97Å; S560-C593 CarbonylContact O-C 3.44Å; S560-C593 WeakPolarHBondContact O-CA 3.33Å; V561-C593 HydrophobicContact CG2-CB 4.37Å; C593-F612 HydrophobicContact CB-CD1 4.25Å; C593-F612 HydrophobicContact CB-CE1 3.49Å; C593-F612 VanDerWaalsContact CB-CE1 3.49Å; C593-F612 HydrophobicContact CB-CE2 4.23Å; C593-F612 HydrophobicContact CB-CZ 3.49Å; C593-F612 VanDerWaalsContact CB-CZ 3.49Å; C593-F612 VanDerWaalsContact SG-CZ 3.57Å
594H90.1Very high78.8Confident42 Ų4257.8 Ų57.819%0.19431%0.309CS..EExtended strand (participates in β ladder)trans-103.7125.9168.7-54.7-76000109.3T514 S515 T516 V559 S560 V592T514-H594 HydrophobicContact CG2-CB 4.26Å; S515-H594 WeakPolarHBondContact O-CA 3.42Å; T516-H594 PolarHBondContact OG1-CE1 3.5Å; T516-H594 PolarHBondContact OG1-ND1 3.35Å; V559-H594 CarbonylContact C-O 3.51Å; V559-H594 WeakPolarHBondContact CA-O 3.35Å; S560-H594 PolarHBondContact N-O 2.96Å; S560-H594 PolarHBondContact O-N 3.12Å; S560-H594 WeakPolarHBondContact OG-CB 3.4Å; V592-H594 WeakPolarHBondContact CG1-NE2 3.5Å
595V90.2Very high80.5Confident0 Ų056.3 Ų56.30%030%0.297CS..EExtended strand (participates in β ladder)trans-110.9109.3170.8-174.90000107.4T514 S515 V557 V559 Y597 I609T514-V595 WeakPolarHBondContact CA-O 3.43Å; S515-V595 PolarHBondContact N-O 3.37Å; S515-V595 PolarHBondContact O-N 3.38Å; V557-V595 HydrophobicContact CG1-CG1 4.47Å; V559-V595 HydrophobicContact CG1-CG2 4.36Å; V559-V595 HydrophobicContact CG2-CG1 4.15Å; V559-V595 HydrophobicContact CG2-CG2 4.24Å; V595-Y597 HydrophobicContact CG1-CD1 4.18Å; V595-I609 HydrophobicContact CB-CD1 4.33Å; V595-I609 HydrophobicContact CB-CG1 3.83Å; V595-I609 HydrophobicContact CG1-CD1 4.33Å; V595-I609 HydrophobicContact CG1-CG1 3.88Å; V595-I609 HydrophobicContact CG2-CG1 3.96Å
596T91.1Very high82.2Confident35 Ų3554 Ų5422%0.21528%0.281CS..EExtended strand (participates in β ladder)trans-110124.6178.9-58.30000110R512 F513 T514 V557 V558R512-T596 HydrophobicContact CB-CG2 4.37Å; F513-T596 CarbonylContact O-C 3.55Å; F513-T596 VanDerWaalsContact O-CA 3.24Å; F513-T596 WeakPolarHBondContact O-CA 3.43Å; T514-T596 WeakPolarHBondContact CG2-OG1 3.33Å; T514-T596 WeakPolarHBondContact OG1-CG2 3.45Å; T514-T596 PolarHBondContact OG1-OG1 2.91Å; V557-T596 CarbonylContact C-O 3.59Å; V557-T596 WeakPolarHBondContact CA-O 3.47Å; V558-T596 PolarHBondContact N-O 3.26Å; V558-T596 PolarHBondContact O-N 2.96Å
597Y90.8Very high83.8Confident15 Ų1549.5 Ų49.56%0.05926%0.255CS..EExtended strand (participates in β ladder)trans-137.3154.3176.852.1-87.3000110.4R512 F513 V595 E602 I609R512-Y597 WeakPolarHBondContact CA-O 3.47Å; F513-Y597 HydrophobicContact CB-CD2 4.07Å; F513-Y597 HydrophobicContact CB-CE1 4.21Å; F513-Y597 HydrophobicContact CB-CE2 3.59Å; F513-Y597 HydrophobicContact CD2-CD2 4.21Å; F513-Y597 AromaticContact CD2-CE2 3.9Å; F513-Y597 HydrophobicContact CD2-CE2 3.9Å; F513-Y597 AromaticContact CG-CE2 3.99Å; F513-Y597 HydrophobicContact CG-CE2 3.99Å; F513-Y597 PolarHBondContact N-O 3.44Å; F513-Y597 PolarHBondContact O-N 2.9Å; V595-Y597 HydrophobicContact CG1-CD1 4.18Å; Y597-E602 HydrophobicContact CD2-CB 4.28Å; Y597-E602 HydrophobicContact CE2-CB 4.03Å; Y597-E602 HydrophobicContact CE2-CG 3.95Å; Y597-I609 HydrophobicContact CE1-CD1 3.77Å
598N87.4Confident85.1Confident22 Ų2241.9 Ų41.912%0.11822%0.219CC..EExtended strand (participates in β ladder)trans-83.7162.1168.668.82.7000110.8M511 Q600 N601 E602M511-N598 VanDerWaalsContact O-CA 3.3Å; M511-N598 WeakPolarHBondContact O-CA 3.38Å; N598-Q600 PolarHBondContact ND2-OE1 2.94Å; N598-Q600 PolarHBondContact O-N 3.21Å; N598-Q600 VanDerWaalsContact O-N 3.12Å; N598-N601 CarbonylContact O-C 3.52Å; N598-N601 PolarHBondContact O-N 2.97Å; N598-N601 WeakPolarHBondContact OD1-CB 3.41Å; N598-N601 PolarHBondContact OD1-N 2.81Å; N598-N601 VanDerWaalsContact OD1-N 3.13Å; N598-N601 PolarHBondContact OD1-ND2 3.47Å; N598-E602 PolarHBondContact O-N 2.95Å
599L83Confident86.1Confident86 Ų8640.3 Ų40.345%0.4521%0.207SC..G310 helixtrans-53-34.4178.9-175.265000113.3M511 F513 N601 E602M511-L599 HydrophobicContact CB-CB 4.42Å; M511-L599 PolarHBondContact O-N 3.1Å; M511-L599 HydrophobicContact SD-CD2 4.49Å; F513-L599 HydrophobicContact CE2-CB 4.03Å; F513-L599 HydrophobicContact CE2-CD1 3.73Å; F513-L599 HydrophobicContact CE2-CG 4.48Å; F513-L599 HydrophobicContact CZ-CD1 4.11Å; L599-N601 PolarHBondContact O-N 2.91Å; L599-E602 WeakPolarHBondContact O-CB 3.45Å; L599-E602 PolarHBondContact O-N 2.89Å
600Q78.6Confident86.7Confident106 Ų10641.7 Ų41.750%0.49521%0.213SC..G310 helixtrans-64.6-26.7180-66.7147.325.400113.2E508 N598E508-Q600 PolarHBondContact OE1-NE2 3.38Å; N598-Q600 PolarHBondContact ND2-OE1 2.94Å; N598-Q600 PolarHBondContact O-N 3.21Å; N598-Q600 VanDerWaalsContact O-N 3.12Å
601N83.7Confident86.9Confident32 Ų3241.3 Ų41.317%0.17121%0.212CC..G310 helixtrans-114.826.9-179.1-65.4-83.6000111.5S556 V557 N598 L599 A603 L604 G605S556-N601 WeakPolarHBondContact CB-ND2 3.44Å; S556-N601 PolarHBondContact OG-ND2 3.23Å; V557-N601 HydrophobicContact CG2-CB 3.54Å; N598-N601 CarbonylContact O-C 3.52Å; N598-N601 PolarHBondContact O-N 2.97Å; N598-N601 WeakPolarHBondContact OD1-CB 3.41Å; N598-N601 PolarHBondContact OD1-N 2.81Å; N598-N601 VanDerWaalsContact OD1-N 3.13Å; N598-N601 PolarHBondContact OD1-ND2 3.47Å; L599-N601 PolarHBondContact O-N 2.91Å; N601-A603 VanDerWaalsContact C-N 3.35Å; N601-A603 PolarHBondContact O-N 3.2Å; N601-L604 HydrophobicContact CB-CB 4.43Å; N601-L604 PolarHBondContact O-N 3.49Å; N601-G605 PolarHBondContact O-N 3.15Å
602E86.5Confident86.9Confident74 Ų7441.2 Ų41.235%0.34621%0.211SC..Hα-helixtrans-55.1-48.1178.1177.5170.5-144.400112Y597 N598 L599 L604 G605 E606Y597-E602 HydrophobicContact CD2-CB 4.28Å; Y597-E602 HydrophobicContact CE2-CB 4.03Å; Y597-E602 HydrophobicContact CE2-CG 3.95Å; N598-E602 PolarHBondContact O-N 2.95Å; L599-E602 WeakPolarHBondContact O-CB 3.45Å; L599-E602 PolarHBondContact O-N 2.89Å; E602-L604 VanDerWaalsContact C-N 3.3Å; E602-L604 PolarHBondContact O-N 3.48Å; E602-G605 CarbonylContact O-C 3.51Å; E602-G605 WeakPolarHBondContact O-CA 3.45Å; E602-G605 PolarHBondContact O-N 2.75Å; E602-G605 VanDerWaalsContact O-N 3.09Å; E602-E606 HydrophobicContact CG-CG 4.34Å; E602-E606 WeakPolarHBondContact O-CG 3.04Å; E602-E606 PolarHBondContact O-N 3.27Å
603A85.8Confident86.8Confident77 Ų7746 Ų4664%0.63623%0.232SC*.Hα-helixtrans-58.6-41178.400000112.9N601 Q607N601-A603 VanDerWaalsContact C-N 3.35Å; N601-A603 PolarHBondContact O-N 3.2Å; A603-Q607 VanDerWaalsContact O-CB 3.27Å; A603-Q607 WeakPolarHBondContact O-CB 3.44Å; A603-Q607 PolarHBondContact O-N 3.21Å
604L87Confident86.6Confident17 Ų1751 Ų519%0.08926%0.255CS..Hα-helixtrans-68.4-43175.8179.260.5000110.8I541 F553 V557 N601 E602 Q607 L608I541-L604 HydrophobicContact CD1-CD1 4.06Å; I541-L604 HydrophobicContact CG2-CD1 4.2Å; F553-L604 HydrophobicContact CB-CD2 4.17Å; V557-L604 HydrophobicContact CG2-CD2 3.97Å; V557-L604 HydrophobicContact CG2-CG 4.28Å; N601-L604 HydrophobicContact CB-CB 4.43Å; N601-L604 PolarHBondContact O-N 3.49Å; E602-L604 VanDerWaalsContact C-N 3.3Å; E602-L604 PolarHBondContact O-N 3.48Å; L604-Q607 PolarHBondContact O-N 2.94Å; L604-L608 HydrophobicContact CD1-CD1 4.22Å; L604-L608 HydrophobicContact CD1-CG 4.25Å; L604-L608 HydrophobicContact CG-CD1 4.06Å; L604-L608 WeakPolarHBondContact O-CB 3.3Å; L604-L608 VanDerWaalsContact O-CG 3.24Å; L604-L608 WeakPolarHBondContact O-CG 3.41Å; L604-L608 PolarHBondContact O-N 2.98Å
605G87.1Confident86.1Confident0 Ų052.8 Ų52.80%026%0.263CS..Hα-helixtrans-58.3-49.3175.800000112.8N601 E602 Q607 L608 I609N601-G605 PolarHBondContact O-N 3.15Å; E602-G605 CarbonylContact O-C 3.51Å; E602-G605 WeakPolarHBondContact O-CA 3.45Å; E602-G605 PolarHBondContact O-N 2.75Å; E602-G605 VanDerWaalsContact O-N 3.09Å; G605-Q607 PolarHBondContact O-N 3.25Å; G605-L608 PolarHBondContact O-N 3.5Å; G605-I609 VanDerWaalsContact O-CG1 3.31Å; G605-I609 WeakPolarHBondContact O-CG1 3.3Å; G605-I609 PolarHBondContact O-N 2.68Å
606E87.8Confident85.5Confident110 Ų11053 Ų5351%0.51426%0.264SS..Hα-helixtrans-62-42176.1-71.9-170.1155.100112.2E602 I609 K610E602-E606 HydrophobicContact CG-CG 4.34Å; E602-E606 WeakPolarHBondContact O-CG 3.04Å; E602-E606 PolarHBondContact O-N 3.27Å; E606-I609 PolarHBondContact O-N 2.94Å; E606-K610 WeakPolarHBondContact O-CB 3.23Å; E606-K610 PolarHBondContact O-N 3.44Å
607Q88.5Confident84.6Confident86 Ų8654 Ų5440%0.40227%0.27SS..Hα-helixtrans-62.2-43.8176.3-176172.216.300111.6L539 A603 L604 G605 K610 M611L539-Q607 HydrophobicContact CD2-CG 4.47Å; A603-Q607 VanDerWaalsContact O-CB 3.27Å; A603-Q607 WeakPolarHBondContact O-CB 3.44Å; A603-Q607 PolarHBondContact O-N 3.21Å; L604-Q607 PolarHBondContact O-N 2.94Å; G605-Q607 PolarHBondContact O-N 3.25Å; Q607-K610 PolarHBondContact O-N 3.21Å; Q607-M611 HydrophobicContact CG-SD 4.18Å; Q607-M611 WeakPolarHBondContact O-CB 3.42Å; Q607-M611 VanDerWaalsContact O-CG 3.3Å; Q607-M611 WeakPolarHBondContact O-CG 3.46Å; Q607-M611 PolarHBondContact O-N 3.1Å
608L87.7Confident83.1Confident0 Ų057 Ų570%029%0.294CS..Hα-helixtrans-65.2-40.7176.6-70.8170.7000111.7F532 C536 L539 F553 V557 V559 L604 G605 M611 F612F532-L608 HydrophobicContact CE1-CD2 4.48Å; F532-L608 HydrophobicContact CZ-CB 4.37Å; F532-L608 HydrophobicContact CZ-CD2 3.91Å; C536-L608 VanDerWaalsContact SG-CD2 3.59Å; L539-L608 HydrophobicContact CD1-CD2 4.1Å; F553-L608 HydrophobicContact CD2-CD1 3.66Å; F553-L608 HydrophobicContact CE1-CD2 4.33Å; F553-L608 HydrophobicContact CE2-CD1 3.84Å; F553-L608 HydrophobicContact CE2-CD2 4.14Å; F553-L608 HydrophobicContact CG-CD1 4.11Å; F553-L608 HydrophobicContact CZ-CD1 4.43Å; F553-L608 HydrophobicContact CZ-CD2 3.97Å; V557-L608 HydrophobicContact CB-CD1 4.48Å; V557-L608 HydrophobicContact CG1-CD1 3.65Å; V559-L608 HydrophobicContact CG2-CD1 4.39Å; L604-L608 HydrophobicContact CD1-CD1 4.22Å; L604-L608 HydrophobicContact CD1-CG 4.25Å; L604-L608 HydrophobicContact CG-CD1 4.06Å; L604-L608 WeakPolarHBondContact O-CB 3.3Å; L604-L608 VanDerWaalsContact O-CG 3.24Å; L604-L608 WeakPolarHBondContact O-CG 3.41Å; L604-L608 PolarHBondContact O-N 2.98Å; G605-L608 PolarHBondContact O-N 3.5Å; L608-M611 PolarHBondContact O-N 2.89Å; L608-F612 WeakPolarHBondContact O-CB 3.27Å; L608-F612 PolarHBondContact O-N 2.71Å
609I87.2Confident81.1Confident17 Ų1762.1 Ų62.19%0.08733%0.326CS..Hα-helixtrans-58.9-48.5173.2-73.4164.1000110.8S515 H517 V595 Y597 G605 E606 F612 K613S515-I609 WeakPolarHBondContact OG-CD1 3.37Å; H517-I609 WeakPolarHBondContact NE2-CG2 3.22Å; V595-I609 HydrophobicContact CB-CD1 4.33Å; V595-I609 HydrophobicContact CB-CG1 3.83Å; V595-I609 HydrophobicContact CG1-CD1 4.33Å; V595-I609 HydrophobicContact CG1-CG1 3.88Å; V595-I609 HydrophobicContact CG2-CG1 3.96Å; Y597-I609 HydrophobicContact CE1-CD1 3.77Å; G605-I609 VanDerWaalsContact O-CG1 3.31Å; G605-I609 WeakPolarHBondContact O-CG1 3.3Å; G605-I609 PolarHBondContact O-N 2.68Å; E606-I609 PolarHBondContact O-N 2.94Å; I609-F612 PolarHBondContact O-N 2.98Å; I609-K613 HydrophobicContact CG2-CD 4.08Å; I609-K613 WeakPolarHBondContact O-CG 3.34Å; I609-K613 PolarHBondContact O-N 3.23Å
610K87.5Confident81Confident121 Ų12161 Ų6153%0.52632%0.319SS..Hα-helixtrans-60.7-48.8179.5-176.1178.8178.8-179.10111E606 Q607 F612 K613 E614E606-K610 WeakPolarHBondContact O-CB 3.23Å; E606-K610 PolarHBondContact O-N 3.44Å; Q607-K610 PolarHBondContact O-N 3.21Å; K610-F612 VanDerWaalsContact C-N 3.31Å; K610-F612 PolarHBondContact O-N 3.23Å; K610-K613 PolarHBondContact O-N 2.93Å; K610-E614 VanDerWaalsContact CE-CD 3.49Å; K610-E614 WeakPolarHBondContact CE-OE1 3.39Å; K610-E614 HydrophobicContact CG-CG 4.27Å; K610-E614 WeakPolarHBondContact CG-OE1 3.45Å; K610-E614 IonicContact NZ-OE1 3.48Å; K610-E614 VanDerWaalsContact O-CB 3.32Å; K610-E614 WeakPolarHBondContact O-CB 3.21Å; K610-E614 WeakPolarHBondContact O-CG 2.88Å; K610-E614 PolarHBondContact O-N 2.94Å
611M86.6Confident81.2Confident22 Ų2258.6 Ų58.611%0.10831%0.31CS..Hα-helixtrans-59.7-41177-74.7177.26200112.3L535 L539 Q607 L608 Q615L535-M611 HydrophobicContact CB-CE 3.97Å; L535-M611 WeakPolarHBondContact O-CE 3.38Å; L539-M611 HydrophobicContact CD1-CE 4.2Å; L539-M611 HydrophobicContact CD1-SD 3.72Å; L539-M611 HydrophobicContact CD2-CE 4.44Å; L539-M611 HydrophobicContact CD2-SD 3.79Å; L539-M611 HydrophobicContact CG-CE 4.21Å; L539-M611 HydrophobicContact CG-SD 3.99Å; Q607-M611 HydrophobicContact CG-SD 4.18Å; Q607-M611 WeakPolarHBondContact O-CB 3.42Å; Q607-M611 VanDerWaalsContact O-CG 3.3Å; Q607-M611 WeakPolarHBondContact O-CG 3.46Å; Q607-M611 PolarHBondContact O-N 3.1Å; L608-M611 PolarHBondContact O-N 2.89Å; M611-Q615 WeakPolarHBondContact O-CB 3.44Å; M611-Q615 PolarHBondContact O-N 3.39Å; M611-Q615 VanDerWaalsContact O-N 3.08Å
612F85.7Confident81Confident0 Ų060.1 Ų60.10%032%0.318CS..Hα-helixtrans-63.5-49.9177.5-166.6-91.8000111.2F519 F532 V561 C593 L608 I609 K610 E614 I616 V617F519-F612 AromaticContact CD1-CE1 3.84Å; F519-F612 HydrophobicContact CD1-CE1 3.84Å; F519-F612 HydrophobicContact CD1-CZ 4.1Å; F519-F612 AromaticContact CE1-CE1 3.72Å; F519-F612 HydrophobicContact CE1-CE1 3.72Å; F519-F612 AromaticContact CE1-CZ 3.49Å; F519-F612 HydrophobicContact CE1-CZ 3.49Å; F519-F612 VanDerWaalsContact CE1-CZ 3.49Å; F519-F612 HydrophobicContact CE2-CZ 4.38Å; F519-F612 HydrophobicContact CG-CE1 4.47Å; F519-F612 HydrophobicContact CZ-CE1 4.22Å; F519-F612 AromaticContact CZ-CZ 3.65Å; F519-F612 HydrophobicContact CZ-CZ 3.65Å; F532-F612 AromaticContact CD2-CD2 3.68Å; F532-F612 HydrophobicContact CD2-CD2 3.68Å; F532-F612 HydrophobicContact CD2-CE2 4.46Å; F532-F612 HydrophobicContact CE2-CB 3.93Å; F532-F612 AromaticContact CE2-CD2 3.73Å; F532-F612 HydrophobicContact CE2-CD2 3.73Å; F532-F612 HydrophobicContact CE2-CG 4.35Å; F532-F612 HydrophobicContact CG-CD2 4.24Å; F532-F612 HydrophobicContact CZ-CD2 4.34Å; V561-F612 HydrophobicContact CG2-CE2 4.3Å; V561-F612 HydrophobicContact CG2-CZ 4.5Å; C593-F612 HydrophobicContact CB-CD1 4.25Å; C593-F612 HydrophobicContact CB-CE1 3.49Å; C593-F612 VanDerWaalsContact CB-CE1 3.49Å; C593-F612 HydrophobicContact CB-CE2 4.23Å; C593-F612 HydrophobicContact CB-CZ 3.49Å; C593-F612 VanDerWaalsContact CB-CZ 3.49Å; C593-F612 VanDerWaalsContact SG-CZ 3.57Å; L608-F612 WeakPolarHBondContact O-CB 3.27Å; L608-F612 PolarHBondContact O-N 2.71Å; I609-F612 PolarHBondContact O-N 2.98Å; K610-F612 VanDerWaalsContact C-N 3.31Å; K610-F612 PolarHBondContact O-N 3.23Å; F612-E614 PolarHBondContact O-N 3.06Å; F612-I616 HydrophobicContact CD2-CB 4.17Å; F612-I616 HydrophobicContact CD2-CG1 4.03Å; F612-I616 HydrophobicContact CD2-CG2 4.38Å; F612-I616 HydrophobicContact CE1-CG2 4.43Å; F612-I616 HydrophobicContact CE2-CB 4.17Å; F612-I616 HydrophobicContact CE2-CG1 4.25Å; F612-I616 HydrophobicContact CE2-CG2 3.87Å; F612-I616 HydrophobicContact CG-CB 4.4Å; F612-I616 HydrophobicContact CZ-CB 4.41Å; F612-I616 HydrophobicContact CZ-CG2 3.89Å; F612-I616 WeakPolarHBondContact O-CA 3.31Å; F612-I616 VanDerWaalsContact O-CB 3.28Å; F612-I616 WeakPolarHBondContact O-CB 3.46Å; F612-I616 PolarHBondContact O-N 3.42Å; F612-V617 HydrophobicContact CD1-CG2 3.77Å; F612-V617 HydrophobicContact CE1-CG2 3.67Å; F612-V617 PolarHBondContact O-N 3.15Å; F612-V617 VanDerWaalsContact O-N 3.12Å
613K82.6Confident80.7Confident105 Ų10559.2 Ų59.246%0.45732%0.316SS..Iπ-helixtrans-61.8-43.9178.5-73.2179.3178.1177.40112.8H517 I609 K610 S618H517-K613 WeakPolarHBondContact CE1-CE 3.39Å; I609-K613 HydrophobicContact CG2-CD 4.08Å; I609-K613 WeakPolarHBondContact O-CG 3.34Å; I609-K613 PolarHBondContact O-N 3.23Å; K610-K613 PolarHBondContact O-N 2.93Å; K613-S618 PolarHBondContact O-N 3.24Å
614E83.6Confident80.4Confident105 Ų10558.1 Ų58.149%0.49130%0.296SS..Iπ-helixtrans-81.3-21.3-172.4-72.1179.1172.400114.5K610 F612 S618K610-E614 VanDerWaalsContact CE-CD 3.49Å; K610-E614 WeakPolarHBondContact CE-OE1 3.39Å; K610-E614 HydrophobicContact CG-CG 4.27Å; K610-E614 WeakPolarHBondContact CG-OE1 3.45Å; K610-E614 IonicContact NZ-OE1 3.48Å; K610-E614 VanDerWaalsContact O-CB 3.32Å; K610-E614 WeakPolarHBondContact O-CB 3.21Å; K610-E614 WeakPolarHBondContact O-CG 2.88Å; K610-E614 PolarHBondContact O-N 2.94Å; F612-E614 PolarHBondContact O-N 3.06Å; E614-S618 PolarHBondContact O-OG 3.15Å
615Q80.1Confident80Confident78 Ų7860.9 Ų60.936%0.36431%0.31SS..Iπ-helixtrans-131.6-14.1-169.5-53.9-171.420.800114.5K531 L535 M611K531-Q615 WeakPolarHBondContact CE-O 3.43Å; K531-Q615 PolarHBondContact NZ-O 2.99Å; L535-Q615 HydrophobicContact CD1-CB 3.69Å; M611-Q615 WeakPolarHBondContact O-CB 3.44Å; M611-Q615 PolarHBondContact O-N 3.39Å; M611-Q615 VanDerWaalsContact O-N 3.08Å
616I77.9Confident79.4Confident5 Ų565.2 Ų65.23%0.02633%0.332CS..Iπ-helixtrans-107-47.8173.8-56.7-63.4000111.1F519 I528 K531 F532 L535 F612F519-I616 HydrophobicContact CE2-CG2 4.35Å; I528-I616 HydrophobicContact CG2-CG2 4Å; K531-I616 HydrophobicContact CB-CD1 4Å; K531-I616 HydrophobicContact CD-CD1 3.64Å; K531-I616 HydrophobicContact CG-CD1 3.63Å; F532-I616 HydrophobicContact CB-CD1 4.25Å; F532-I616 HydrophobicContact CB-CG1 4.44Å; F532-I616 HydrophobicContact CD2-CG1 4.01Å; L535-I616 HydrophobicContact CD1-CD1 3.7Å; L535-I616 HydrophobicContact CD1-CG1 4.15Å; F612-I616 HydrophobicContact CD2-CB 4.17Å; F612-I616 HydrophobicContact CD2-CG1 4.03Å; F612-I616 HydrophobicContact CD2-CG2 4.38Å; F612-I616 HydrophobicContact CE1-CG2 4.43Å; F612-I616 HydrophobicContact CE2-CB 4.17Å; F612-I616 HydrophobicContact CE2-CG1 4.25Å; F612-I616 HydrophobicContact CE2-CG2 3.87Å; F612-I616 HydrophobicContact CG-CB 4.4Å; F612-I616 HydrophobicContact CZ-CB 4.41Å; F612-I616 HydrophobicContact CZ-CG2 3.89Å; F612-I616 WeakPolarHBondContact O-CA 3.31Å; F612-I616 VanDerWaalsContact O-CB 3.28Å; F612-I616 WeakPolarHBondContact O-CB 3.46Å; F612-I616 PolarHBondContact O-N 3.42Å
617V72Confident78.8Confident55 Ų5561.8 Ų61.833%0.33332%0.318SS..Iπ-helixtrans-79.9-28.7-175.8-179.70000113.1F519 F612 V619F519-V617 HydrophobicContact CB-CB 4.33Å; F519-V617 HydrophobicContact CB-CG1 3.81Å; F519-V617 HydrophobicContact CB-CG2 3.81Å; F519-V617 HydrophobicContact CD1-CG2 4.45Å; F519-V617 HydrophobicContact CD2-CG2 4.41Å; F519-V617 HydrophobicContact CG-CG2 3.98Å; F612-V617 HydrophobicContact CD1-CG2 3.77Å; F612-V617 HydrophobicContact CE1-CG2 3.67Å; F612-V617 PolarHBondContact O-N 3.15Å; F612-V617 VanDerWaalsContact O-N 3.12Å; V617-V619 PolarHBondContact O-N 3.01Å
618S59Low78Confident79 Ų7959.8 Ų59.855%0.55231%0.311SS*.THydrogen-bonded Turntrans-81.98.5-177.962.40000114.7K613 E614K613-S618 PolarHBondContact O-N 3.24Å; E614-S618 PolarHBondContact O-OG 3.15Å
619V46.1Very low77.1Confident130 Ų13065.2 Ų65.279%0.78834%0.339SS*.  trans-127.60-177.2-172.20000109.1V617V617-V619 PolarHBondContact O-N 3.01Å

Retrieved 619 of 619 residues in 153.2 ms (Link to these results)

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