A0A5K4FAK7_SCHMA Loading...

UBIQUITIN_CONJUGAT_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAK7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 241 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
1M57.3Low83Confident205 Ų20591.9 Ų91.9100%1.0146%0.463SS*.  0-55.70-145.2176.6-82.300112.1N3 Q4 G5M1-N3 PolarHBondContact O-N 2.66Å; M1-Q4 PolarHBondContact O-N 3.12Å; M1-G5 PolarHBondContact O-N 3.18Å
2F70.8Confident83.4Confident174 Ų17486.9 Ų86.976%0.76344%0.439SS*.Hα-helixtrans-56-48.4179.5-69.8-72.7000114.6Q4 G5 Y6F2-Q4 VanDerWaalsContact C-N 3.31Å; F2-Q4 PolarHBondContact O-N 2.79Å; F2-G5 PolarHBondContact O-N 3.05Å; F2-G5 VanDerWaalsContact O-N 3.16Å; F2-Y6 HydrophobicContact CB-CE2 4.47Å; F2-Y6 WeakPolarHBondContact O-CD2 3.25Å; F2-Y6 PolarHBondContact O-N 2.69Å
3N80.6Confident83.9Confident123 Ų12387.3 Ų87.366%0.65845%0.448SS*.Hα-helixtrans-59.8-39.8-179.3-68.9-6.3000112.9M1 G5 Y6 H7M1-N3 PolarHBondContact O-N 2.66Å; N3-G5 PolarHBondContact O-N 3.32Å; N3-Y6 PolarHBondContact O-N 2.92Å; N3-H7 PolarHBondContact O-CD2 3.12Å; N3-H7 PolarHBondContact O-N 3.13Å; N3-H7 VanDerWaalsContact O-N 3.09Å
4Q84.4Confident84.4Confident47 Ų4784.9 Ų84.922%0.2244%0.436CS..Hα-helixtrans-62.2-42.8177.5178171.143.100111.5M1 F2 Y6 H7 I8 L33 D59 F61M1-Q4 PolarHBondContact O-N 3.12Å; F2-Q4 VanDerWaalsContact C-N 3.31Å; F2-Q4 PolarHBondContact O-N 2.79Å; Q4-Y6 VanDerWaalsContact C-N 3.31Å; Q4-Y6 PolarHBondContact O-N 3.23Å; Q4-H7 PolarHBondContact O-N 2.91Å; Q4-H7 VanDerWaalsContact O-N 3.17Å; Q4-I8 HydrophobicContact CG-CD1 3.95Å; Q4-I8 VanDerWaalsContact O-CG1 3.31Å; Q4-I8 WeakPolarHBondContact O-CG1 3.35Å; Q4-I8 PolarHBondContact O-N 3.37Å; Q4-L33 HydrophobicContact CG-CD2 4.48Å; Q4-D59 PolarHBondContact NE2-O 3.32Å; Q4-F61 VanDerWaalsContact CG-O 3.31Å; Q4-F61 WeakPolarHBondContact CG-O 3.49Å; Q4-F61 PolarHBondContact NE2-O 3.38Å
5G85Confident84.7Confident31 Ų3180.5 Ų80.532%0.3241%0.414SS..Hα-helixtrans-57.4-42174.200000112.8M1 F2 N3 I8 L9M1-G5 PolarHBondContact O-N 3.18Å; F2-G5 PolarHBondContact O-N 3.05Å; F2-G5 VanDerWaalsContact O-N 3.16Å; N3-G5 PolarHBondContact O-N 3.32Å; G5-I8 PolarHBondContact O-N 2.9Å; G5-L9 WeakPolarHBondContact O-CB 3.49Å; G5-L9 WeakPolarHBondContact O-CG 3.15Å; G5-L9 PolarHBondContact O-N 3.3Å
6Y87.5Confident84.8Confident161 Ų16185.2 Ų85.263%0.63143%0.43SS*.Hα-helixtrans-64.1-40.5175.6-72.8-70.5000112.8F2 N3 Q4 L9 A10F2-Y6 HydrophobicContact CB-CE2 4.47Å; F2-Y6 WeakPolarHBondContact O-CD2 3.25Å; F2-Y6 PolarHBondContact O-N 2.69Å; N3-Y6 PolarHBondContact O-N 2.92Å; Q4-Y6 VanDerWaalsContact C-N 3.31Å; Q4-Y6 PolarHBondContact O-N 3.23Å; Y6-L9 PolarHBondContact O-N 3.42Å; Y6-A10 WeakPolarHBondContact O-CB 3.42Å; Y6-A10 PolarHBondContact O-N 2.99Å
7H87.9Confident85.2Confident90 Ų9088.1 Ų88.142%0.41745%0.446SS..Hα-helixtrans-65-42.5176.1-73.2-69.5000112.3N3 Q4 L9 A10 E11 F61 P62N3-H7 PolarHBondContact O-CD2 3.12Å; N3-H7 PolarHBondContact O-N 3.13Å; N3-H7 VanDerWaalsContact O-N 3.09Å; Q4-H7 PolarHBondContact O-N 2.91Å; Q4-H7 VanDerWaalsContact O-N 3.17Å; H7-L9 PolarHBondContact O-N 2.89Å; H7-A10 PolarHBondContact O-N 3.18Å; H7-E11 WeakPolarHBondContact O-CG 3.45Å; H7-E11 PolarHBondContact O-N 2.8Å; H7-F61 HydrophobicContact CB-CD1 4.39Å; H7-F61 HydrophobicContact CB-CE1 4.07Å; H7-P62 HydrophobicContact CB-CG 4.37Å; H7-P62 VanDerWaalsContact CD2-CD 3.46Å; H7-P62 WeakPolarHBondContact CD2-CD 3.49Å
8I89Confident85.4Confident14 Ų1489.1 Ų89.17%0.07245%0.447CS..Hα-helixtrans-60.8-45.7176.1-68.4170.6000110.5Q4 G5 E11 L12 P32 L33 W35 F61Q4-I8 HydrophobicContact CG-CD1 3.95Å; Q4-I8 VanDerWaalsContact O-CG1 3.31Å; Q4-I8 WeakPolarHBondContact O-CG1 3.35Å; Q4-I8 PolarHBondContact O-N 3.37Å; G5-I8 PolarHBondContact O-N 2.9Å; I8-E11 PolarHBondContact O-N 2.9Å; I8-L12 PolarHBondContact O-N 2.99Å; I8-P32 HydrophobicContact CD1-CB 4.18Å; I8-L33 HydrophobicContact CD1-CD2 3.78Å; I8-W35 HydrophobicContact CG2-CZ2 3.79Å; I8-F61 HydrophobicContact CG1-CD1 4.09Å; I8-F61 HydrophobicContact CG1-CE1 4.4Å
9L88.9Confident85.3Confident100 Ų10091.2 Ų91.252%0.52446%0.46SS..Hα-helixtrans-65-38.5177.1-72.1173.2000112.4G5 Y6 H7 L12 T13G5-L9 WeakPolarHBondContact O-CB 3.49Å; G5-L9 WeakPolarHBondContact O-CG 3.15Å; G5-L9 PolarHBondContact O-N 3.3Å; Y6-L9 PolarHBondContact O-N 3.42Å; H7-L9 PolarHBondContact O-N 2.89Å; L9-L12 PolarHBondContact O-N 3.4Å; L9-T13 WeakPolarHBondContact O-CB 3.29Å; L9-T13 PolarHBondContact O-N 2.66Å; L9-T13 PolarHBondContact O-OG1 3.2Å
10A90.4Very high85.3Confident49 Ų4987.9 Ų87.941%0.40544%0.444SS..Hα-helixtrans-61.6-46.6174.900000111.2Y6 H7 L12 T13 L14Y6-A10 WeakPolarHBondContact O-CB 3.42Å; Y6-A10 PolarHBondContact O-N 2.99Å; H7-A10 PolarHBondContact O-N 3.18Å; A10-L12 PolarHBondContact O-N 3.16Å; A10-T13 WeakPolarHBondContact O-CB 3.36Å; A10-T13 PolarHBondContact O-N 3.12Å; A10-L14 WeakPolarHBondContact O-CG 3.09Å; A10-L14 PolarHBondContact O-N 2.93Å
11E90.8Very high85.3Confident17 Ų1786.6 Ų86.68%0.07944%0.442CS..Hα-helixtrans-61.2-43175.1-73.7-63.714100112.6H7 I8 T13 L14 L15 W35 F61 H102 I103H7-E11 WeakPolarHBondContact O-CG 3.45Å; H7-E11 PolarHBondContact O-N 2.8Å; I8-E11 PolarHBondContact O-N 2.9Å; E11-T13 VanDerWaalsContact C-N 3.27Å; E11-T13 PolarHBondContact O-N 3.18Å; E11-L14 PolarHBondContact O-N 3Å; E11-L15 WeakPolarHBondContact O-CG 3.35Å; E11-L15 PolarHBondContact O-N 2.72Å; E11-W35 HydrophobicContact CB-CH2 3.99Å; E11-F61 HydrophobicContact CG-CE1 4.13Å; E11-F61 HydrophobicContact CG-CZ 3.82Å; E11-H102 IonicContact OE1-CE1 3.21Å; E11-H102 IonicContact OE1-CG 3.71Å; E11-H102 IonicContact OE1-ND1 3.92Å; E11-H102 PolarHBondContact OE1-ND1 3.34Å; E11-H102 WeakPolarHBondContact OE2-CB 3.45Å; E11-H102 IonicContact OE2-ND1 2.8Å; E11-I103 HydrophobicContact CB-CD1 3.86Å; E11-I103 HydrophobicContact CB-CG1 4.46Å; E11-I103 HydrophobicContact CG-CD1 3.9Å; E11-I103 HydrophobicContact CG-CG1 4.23Å; E11-I103 PolarHBondContact OE2-N 2.94Å
12L88.4Confident86.6Confident32 Ų3277.6 Ų77.617%0.16840%0.403CS..Hα-helixtrans-61.9-38.4176.8-174.565.6000111.5I8 L9 A10 L15 K16I8-L12 PolarHBondContact O-N 2.99Å; L9-L12 PolarHBondContact O-N 3.4Å; A10-L12 PolarHBondContact O-N 3.16Å; L12-L15 PolarHBondContact O-N 3.33Å; L12-K16 WeakPolarHBondContact O-CG 3.25Å; L12-K16 PolarHBondContact O-N 2.59Å; L12-K16 VanDerWaalsContact O-N 3.12Å
13T90.1Very high87.6Confident92 Ų9270.3 Ų70.356%0.56437%0.372SS*.Hα-helixtrans-68.1-42.6177.1-56.10000110.9L9 A10 E11 L15 K16 L17L9-T13 WeakPolarHBondContact O-CB 3.29Å; L9-T13 PolarHBondContact O-N 2.66Å; L9-T13 PolarHBondContact O-OG1 3.2Å; A10-T13 WeakPolarHBondContact O-CB 3.36Å; A10-T13 PolarHBondContact O-N 3.12Å; E11-T13 VanDerWaalsContact C-N 3.27Å; E11-T13 PolarHBondContact O-N 3.18Å; T13-L15 VanDerWaalsContact C-N 3.33Å; T13-L15 PolarHBondContact O-N 3.16Å; T13-K16 PolarHBondContact O-N 3.36Å; T13-L17 WeakPolarHBondContact O-CB 3.35Å; T13-L17 PolarHBondContact O-N 2.86Å
14L90.1Very high87.9Confident53 Ų5369.1 Ų69.128%0.27737%0.365SS..Hα-helixtrans-61-41174.6-74.1172.1000111.8A10 E11 L17 K18A10-L14 WeakPolarHBondContact O-CG 3.09Å; A10-L14 PolarHBondContact O-N 2.93Å; E11-L14 PolarHBondContact O-N 3Å; L14-L17 PolarHBondContact O-N 3.2Å; L14-K18 WeakPolarHBondContact O-CB 3.23Å; L14-K18 VanDerWaalsContact O-CG 3.31Å; L14-K18 WeakPolarHBondContact O-CG 3.28Å; L14-K18 PolarHBondContact O-N 2.81Å
15L89.5Confident88.2Confident19 Ų1968.1 Ų68.110%0.09936%0.362CS..Hα-helixtrans-62-45.6176.1-82167.5000112.9E11 L12 T13 L17 K18 N19 L20 W35 I103 W104 L107E11-L15 WeakPolarHBondContact O-CG 3.35Å; E11-L15 PolarHBondContact O-N 2.72Å; L12-L15 PolarHBondContact O-N 3.33Å; T13-L15 VanDerWaalsContact C-N 3.33Å; T13-L15 PolarHBondContact O-N 3.16Å; L15-L17 VanDerWaalsContact C-N 3.28Å; L15-L17 PolarHBondContact O-N 2.74Å; L15-K18 PolarHBondContact O-N 3.39Å; L15-N19 PolarHBondContact O-N 2.85Å; L15-N19 VanDerWaalsContact O-N 3.13Å; L15-L20 HydrophobicContact CD2-CD1 4.14Å; L15-W35 HydrophobicContact CD1-CE3 4.35Å; L15-W35 HydrophobicContact CD1-CH2 4.18Å; L15-W35 HydrophobicContact CD1-CZ3 3.43Å; L15-W35 VanDerWaalsContact CD1-CZ3 3.43Å; L15-I103 HydrophobicContact CD1-CB 4.4Å; L15-I103 HydrophobicContact CD1-CG2 3.99Å; L15-W104 HydrophobicContact CD2-CB 3.42Å; L15-W104 VanDerWaalsContact CD2-CB 3.42Å; L15-W104 HydrophobicContact CG-CB 4.15Å; L15-L107 HydrophobicContact CD1-CD1 4.36Å; L15-L107 HydrophobicContact CD2-CD1 3.57Å
16K86.6Confident88.3Confident156 Ų15668 Ų6868%0.67836%0.356SS*.Hα-helixtrans-60-41.6175-71.9176.7178.9-177.10111.2L12 T13 N19L12-K16 WeakPolarHBondContact O-CG 3.25Å; L12-K16 PolarHBondContact O-N 2.59Å; L12-K16 VanDerWaalsContact O-N 3.12Å; T13-K16 PolarHBondContact O-N 3.36Å; K16-N19 PolarHBondContact O-N 3.48Å
17L90.6Very high88.3Confident134 Ų13462 Ų6270%0.70234%0.337SS*.Hα-helixtrans-67.1-42178.5-176.567.3000112.7T13 L14 L15 N19T13-L17 WeakPolarHBondContact O-CB 3.35Å; T13-L17 PolarHBondContact O-N 2.86Å; L14-L17 PolarHBondContact O-N 3.2Å; L15-L17 VanDerWaalsContact C-N 3.28Å; L15-L17 PolarHBondContact O-N 2.74Å; L17-N19 VanDerWaalsContact C-N 3.26Å; L17-N19 PolarHBondContact O-N 2.98Å
18K88.9Confident88.3Confident107 Ų10758.9 Ų58.947%0.46533%0.325SS..Hα-helixtrans-72.1-20.1-179.6-69.2-63.1-177.2-175.60113.3L14 L15 W104L14-K18 WeakPolarHBondContact O-CB 3.23Å; L14-K18 VanDerWaalsContact O-CG 3.31Å; L14-K18 WeakPolarHBondContact O-CG 3.28Å; L14-K18 PolarHBondContact O-N 2.81Å; L15-K18 PolarHBondContact O-N 3.39Å; K18-W104 HydrophobicContact CD-CD2 4.4Å; K18-W104 HydrophobicContact CD-CZ2 4.43Å; K18-W104 HydrophobicContact CG-CB 4.46Å; K18-W104 HydrophobicContact CG-CD2 3.91Å; K18-W104 HydrophobicContact CG-CE3 4.33Å; K18-W104 HydrophobicContact CG-CG 3.96Å
19N83.9Confident87.9Confident128 Ų12865.5 Ų65.568%0.68436%0.356SS*.THydrogen-bonded Turntrans46.467.6174.5-170.314.4000113.3L15 K16 L17 S21L15-N19 PolarHBondContact O-N 2.85Å; L15-N19 VanDerWaalsContact O-N 3.13Å; K16-N19 PolarHBondContact O-N 3.48Å; L17-N19 VanDerWaalsContact C-N 3.26Å; L17-N19 PolarHBondContact O-N 2.98Å; N19-S21 PolarHBondContact O-N 3.03Å
20L84.9Confident87.6Confident26 Ų2668.6 Ų68.614%0.13637%0.373CS..  trans-71.994.2177.5-66.2174.8000110.3L15 G22 V23 W104 L107 H108L15-L20 HydrophobicContact CD2-CD1 4.14Å; L20-G22 PolarHBondContact O-N 2.99Å; L20-V23 HydrophobicContact CB-CB 4.14Å; L20-V23 HydrophobicContact CB-CG2 4.47Å; L20-V23 PolarHBondContact O-N 3.19Å; L20-W104 HydrophobicContact CD1-CB 4.28Å; L20-L107 HydrophobicContact CD1-CB 3.61Å; L20-L107 HydrophobicContact CD1-CD1 4.33Å; L20-H108 HydrophobicContact CD2-CB 4.23Å
21S85.8Confident87.5Confident60 Ų6069.4 Ų69.442%0.4237%0.37SS..THydrogen-bonded Turntrans-52.9128.2-178.5-178.10000112.3N19 V23 R42 K111N19-S21 PolarHBondContact O-N 3.03Å; S21-V23 VanDerWaalsContact C-N 3.31Å; S21-R42 PolarHBondContact OG-NH1 2.96Å; S21-K111 PolarHBondContact O-NZ 3.21Å
22G85.6Confident87.3Confident17 Ų1771.9 Ų71.918%0.17539%0.388CS..THydrogen-bonded Turntrans81.93.4178.900000115L20 I39 S40L20-G22 PolarHBondContact O-N 2.99Å; G22-I39 WeakPolarHBondContact O-CA 3.42Å; G22-S40 WeakPolarHBondContact CA-OG 3.24Å; G22-S40 PolarHBondContact O-N 3.11Å; G22-S40 PolarHBondContact O-OG 3.09Å
23V90.4Very high87.3Confident20 Ų2071.2 Ų71.212%0.12138%0.384CS..EExtended strand (participates in β ladder)trans-117.8122174.4-176.90000108.6L20 S21 V25 I38 I39 F53 L107 K111L20-V23 HydrophobicContact CB-CB 4.14Å; L20-V23 HydrophobicContact CB-CG2 4.47Å; L20-V23 PolarHBondContact O-N 3.19Å; S21-V23 VanDerWaalsContact C-N 3.31Å; V23-V25 HydrophobicContact CG1-CG2 3.9Å; V23-I38 WeakPolarHBondContact CA-O 3.39Å; V23-I39 HydrophobicContact CG2-CD1 3.84Å; V23-I39 HydrophobicContact CG2-CG1 3.97Å; V23-F53 HydrophobicContact CG1-CE1 4.15Å; V23-F53 HydrophobicContact CG1-CZ 3.9Å; V23-L107 HydrophobicContact CG1-CD1 4.18Å; V23-K111 HydrophobicContact CG2-CD 4.34Å
24I88.3Confident87.4Confident98 Ų9870.9 Ų70.950%0.50338%0.375SS..EExtended strand (participates in β ladder)trans-119.6129.6176.2-55176000107G37 I38 L180I24-G37 CarbonylContact O-C 3.15Å; I24-G37 WeakPolarHBondContact O-CA 3.43Å; I24-I38 PolarHBondContact N-O 3.38Å; I24-I38 PolarHBondContact O-N 3.31Å; I24-L180 HydrophobicContact CB-CD1 4.38Å; I24-L180 HydrophobicContact CG2-CD1 3.67Å; I24-L180 HydrophobicContact CG2-CD2 4Å; I24-L180 HydrophobicContact CG2-CG 4.5Å
25V89.2Confident87.5Confident27 Ų2768.3 Ų68.316%0.16436%0.362CS..EExtended strand (participates in β ladder)trans-137.3139-179.5-173.10000110.1V23 W35 L36 F53 L107V23-V25 HydrophobicContact CG1-CG2 3.9Å; V25-W35 HydrophobicContact CG1-CB 3.87Å; V25-W35 HydrophobicContact CG1-CD2 4.4Å; V25-W35 HydrophobicContact CG1-CE3 3.71Å; V25-L36 WeakPolarHBondContact CA-O 3.36Å; V25-F53 HydrophobicContact CG2-CE1 4.46Å; V25-F53 HydrophobicContact CG2-CE2 3.89Å; V25-F53 HydrophobicContact CG2-CZ 3.42Å; V25-F53 VanDerWaalsContact CG2-CZ 3.42Å; V25-L107 HydrophobicContact CG2-CD1 3.64Å; V25-L107 HydrophobicContact CG2-CD2 4.43Å
26S87.3Confident87.6Confident28 Ų2868.3 Ų68.320%0.19636%0.362CS..EExtended strand (participates in β ladder)trans-136.7139.9174.1-178.60000110.1W35 L36 S179S26-W35 CarbonylContact O-C 3.57Å; S26-W35 WeakPolarHBondContact O-CA 3.21Å; S26-L36 PolarHBondContact N-O 2.86Å; S26-L36 PolarHBondContact O-N 3.37Å; S26-L36 VanDerWaalsContact O-O 3.1Å; S26-S179 WeakPolarHBondContact CB-OG 3.39Å; S26-S179 PolarHBondContact OG-OG 3.23Å
27P89Confident87.7Confident35 Ų3560.9 Ų60.923%0.22733%0.329CS..EExtended strand (participates in β ladder)trans-61.7150.5165.628.2-34000110.6W35P27-W35 HydrophobicContact CB-CG 4.33Å
28C86.1Confident87.7Confident25 Ų2555.1 Ų55.117%0.16930%0.299CS..  trans-71.2145.1169.7-72.20000110.4N30 D31 K34 L36C28-N30 VanDerWaalsContact C-N 3.34Å; C28-N30 PolarHBondContact O-N 3.36Å; C28-D31 WeakPolarHBondContact CB-O 3.12Å; C28-D31 CarbonylContact O-C 3.44Å; C28-D31 PolarHBondContact O-N 3.12Å; C28-K34 VanDerWaalsContact CB-O 3.29Å; C28-K34 WeakPolarHBondContact CB-O 3.43Å; C28-K34 PolarHBondContact N-O 3.09Å; C28-K34 PolarHBondContact SG-O 2.85Å; C28-L36 VanDerWaalsContact SG-CG 3.55Å
29E80.8Confident87.8Confident152 Ų15250.1 Ų50.171%0.7128%0.277SS*.SBendtrans-63.7-39.6177.4-64.2-179.4172.500112.4
30N83.8Confident88.2Confident166 Ų16645.4 Ų45.489%0.88825%0.254SS*.SBendtrans-82-21.1-177.1-63.3-31000113.5C28C28-N30 VanDerWaalsContact C-N 3.34Å; C28-N30 PolarHBondContact O-N 3.36Å
31D87Confident88.5Confident65 Ų6544.4 Ų44.435%0.34825%0.25SC..  trans-148.7102.3-175.1-178.83.9000110.5C28 L33 K34C28-D31 WeakPolarHBondContact CB-O 3.12Å; C28-D31 CarbonylContact O-C 3.44Å; C28-D31 PolarHBondContact O-N 3.12Å; D31-L33 PolarHBondContact O-N 3.36Å; D31-L33 VanDerWaalsContact O-N 3.16Å; D31-L33 WeakPolarHBondContact OD1-CB 3.39Å; D31-L33 PolarHBondContact OD1-N 3.43Å; D31-K34 HydrophobicContact CB-CB 4.1Å; D31-K34 PolarHBondContact O-N 3.42Å; D31-K34 VanDerWaalsContact O-N 3.08Å; D31-K34 WeakPolarHBondContact OD2-CB 3.3Å
32P86.3Confident88.6Confident69 Ų6948.8 Ų48.845%0.44826%0.257SS..THydrogen-bonded Turntrans-70.1-8.9-178.931.6-36.7000113.1I8 W35I8-P32 HydrophobicContact CD1-CB 4.18Å; P32-W35 VanDerWaalsContact O-CD1 3.29Å; P32-W35 PolarHBondContact O-NE1 2.97Å
33L90.4Very high88.7Confident19 Ų1950.7 Ų50.710%0.09927%0.268CS..THydrogen-bonded Turntrans-89.6-13.4174.2-60175.6000112.4Q4 I8 D31 L57 F61Q4-L33 HydrophobicContact CG-CD2 4.48Å; I8-L33 HydrophobicContact CD1-CD2 3.78Å; D31-L33 PolarHBondContact O-N 3.36Å; D31-L33 VanDerWaalsContact O-N 3.16Å; D31-L33 WeakPolarHBondContact OD1-CB 3.39Å; D31-L33 PolarHBondContact OD1-N 3.43Å; L33-L57 HydrophobicContact CB-CB 4.18Å; L33-L57 HydrophobicContact CD2-CB 4.07Å; L33-L57 HydrophobicContact CD2-CD1 4.47Å; L33-L57 WeakPolarHBondContact O-CB 3.32Å; L33-L57 WeakPolarHBondContact O-CG 3.26Å; L33-L57 PolarHBondContact O-N 3.13Å; L33-F61 HydrophobicContact CD2-CB 4.24Å
34K91.6Very high88.6Confident84 Ų8451.8 Ų51.837%0.36528%0.283SS..EExtended strand (participates in β ladder)trans-104.8119.2174.1-172.3179.2-177.2-177.10109.7C28 D31 V54C28-K34 VanDerWaalsContact CB-O 3.29Å; C28-K34 WeakPolarHBondContact CB-O 3.43Å; C28-K34 PolarHBondContact N-O 3.09Å; C28-K34 PolarHBondContact SG-O 2.85Å; D31-K34 HydrophobicContact CB-CB 4.1Å; D31-K34 PolarHBondContact O-N 3.42Å; D31-K34 VanDerWaalsContact O-N 3.08Å; D31-K34 WeakPolarHBondContact OD2-CB 3.3Å; K34-V54 HydrophobicContact CD-CG1 4.29Å; K34-V54 VanDerWaalsContact CE-CG1 3.46Å; K34-V54 HydrophobicContact CG-CG1 3.81Å
35W91.9Very high88.6Confident0 Ų050 Ų500%027%0.27CS..EExtended strand (participates in β ladder)trans-114.8134.7-178.2-64.415.9000109.2I8 E11 L15 V25 S26 P27 P32 V54 L55 L57 I103I8-W35 HydrophobicContact CG2-CZ2 3.79Å; E11-W35 HydrophobicContact CB-CH2 3.99Å; L15-W35 HydrophobicContact CD1-CE3 4.35Å; L15-W35 HydrophobicContact CD1-CH2 4.18Å; L15-W35 HydrophobicContact CD1-CZ3 3.43Å; L15-W35 VanDerWaalsContact CD1-CZ3 3.43Å; V25-W35 HydrophobicContact CG1-CB 3.87Å; V25-W35 HydrophobicContact CG1-CD2 4.4Å; V25-W35 HydrophobicContact CG1-CE3 3.71Å; S26-W35 CarbonylContact O-C 3.57Å; S26-W35 WeakPolarHBondContact O-CA 3.21Å; P27-W35 HydrophobicContact CB-CG 4.33Å; P32-W35 VanDerWaalsContact O-CD1 3.29Å; P32-W35 PolarHBondContact O-NE1 2.97Å; W35-V54 CarbonylContact O-C 3.57Å; W35-V54 WeakPolarHBondContact O-CA 3.45Å; W35-L55 HydrophobicContact CB-CB 4.16Å; W35-L55 HydrophobicContact CB-CD2 4.45Å; W35-L55 HydrophobicContact CD2-CD2 4.32Å; W35-L55 HydrophobicContact CE3-CD2 3.87Å; W35-L55 PolarHBondContact N-O 3.33Å; W35-L55 PolarHBondContact O-N 3.2Å; W35-L57 HydrophobicContact CZ2-CD1 4.02Å; W35-I103 HydrophobicContact CE3-CD1 4.23Å; W35-I103 HydrophobicContact CE3-CG2 4.29Å; W35-I103 HydrophobicContact CH2-CD1 3.39Å; W35-I103 HydrophobicContact CZ2-CD1 3.9Å; W35-I103 HydrophobicContact CZ3-CB 4.41Å; W35-I103 HydrophobicContact CZ3-CD1 3.54Å; W35-I103 HydrophobicContact CZ3-CG2 3.88Å
36L90.9Very high88.7Confident19 Ų1948.7 Ų48.710%0.09926%0.262CS..EExtended strand (participates in β ladder)trans-103.6136.2174.8-61.1173.2000108.3V25 S26 C28 V54 I177V25-L36 WeakPolarHBondContact CA-O 3.36Å; S26-L36 PolarHBondContact N-O 2.86Å; S26-L36 PolarHBondContact O-N 3.37Å; S26-L36 VanDerWaalsContact O-O 3.1Å; C28-L36 VanDerWaalsContact SG-CG 3.55Å; L36-V54 HydrophobicContact CD2-CB 4.35Å; L36-V54 HydrophobicContact CD2-CG1 4.19Å; L36-V54 HydrophobicContact CD2-CG2 3.68Å; L36-I177 HydrophobicContact CB-CB 4.44Å; L36-I177 HydrophobicContact CB-CD1 3.91Å; L36-I177 HydrophobicContact CB-CG1 3.81Å; L36-I177 HydrophobicContact CB-CG2 4.01Å; L36-I177 HydrophobicContact CD1-CB 4.3Å; L36-I177 HydrophobicContact CD1-CG1 4.03Å; L36-I177 HydrophobicContact CD1-CG2 4.26Å; L36-I177 HydrophobicContact CG-CG1 4.5Å
37G90.3Very high88.8Confident0 Ų054.2 Ų54.20%028%0.283CS..EExtended strand (participates in β ladder)trans-142.7164.1179.400000112.6I24 D52 F53I24-G37 CarbonylContact O-C 3.15Å; I24-G37 WeakPolarHBondContact O-CA 3.43Å; G37-D52 CarbonylContact O-C 3.39Å; G37-D52 WeakPolarHBondContact O-CA 3.45Å; G37-F53 VanDerWaalsContact C-CD1 3.46Å; G37-F53 VanDerWaalsContact C-CE1 3.41Å; G37-F53 PolarHBondContact N-O 3.39Å; G37-F53 WeakPolarHBondContact O-CD1 3.35Å; G37-F53 PolarHBondContact O-N 3.23Å
38I90.4Very high88.7Confident13 Ų1354.8 Ų54.87%0.06730%0.295CS..EExtended strand (participates in β ladder)trans-129134.4176.2-64.3173.5000108.1V23 I24 V50 F51 I177 L180 L182V23-I38 WeakPolarHBondContact CA-O 3.39Å; I24-I38 PolarHBondContact N-O 3.38Å; I24-I38 PolarHBondContact O-N 3.31Å; I38-V50 HydrophobicContact CG2-CG1 3.25Å; I38-F51 CarbonylContact C-O 3.6Å; I38-F51 WeakPolarHBondContact CA-O 3.41Å; I38-I177 HydrophobicContact CD1-CD1 3.76Å; I38-I177 HydrophobicContact CG1-CD1 3.72Å; I38-L180 HydrophobicContact CD1-CD1 4.35Å; I38-L182 HydrophobicContact CD1-CD1 3.03Å; I38-L182 HydrophobicContact CD1-CD2 3.76Å; I38-L182 HydrophobicContact CD1-CG 3.97Å; I38-L182 HydrophobicContact CG1-CD1 4.49Å
39I91.2Very high88.8Confident1 Ų153.6 Ų53.61%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-118.3127.1175.7-173.8155.3000110.1G22 V23 V50 F51 F53 F110 K111 L114G22-I39 WeakPolarHBondContact O-CA 3.42Å; V23-I39 HydrophobicContact CG2-CD1 3.84Å; V23-I39 HydrophobicContact CG2-CG1 3.97Å; I39-V50 CarbonylContact O-C 3.05Å; I39-V50 WeakPolarHBondContact O-CA 3.46Å; I39-F51 HydrophobicContact CG2-CB 4.07Å; I39-F51 PolarHBondContact N-O 3.3Å; I39-F51 PolarHBondContact O-N 2.84Å; I39-F53 HydrophobicContact CB-CD1 4.14Å; I39-F53 HydrophobicContact CB-CE1 3.96Å; I39-F53 HydrophobicContact CG2-CD1 4.01Å; I39-F53 HydrophobicContact CG2-CE1 4.34Å; I39-F110 HydrophobicContact CB-CE1 4.31Å; I39-F110 HydrophobicContact CD1-CD1 3.87Å; I39-F110 HydrophobicContact CD1-CE1 3.96Å; I39-F110 HydrophobicContact CG2-CE1 3.84Å; I39-F110 HydrophobicContact CG2-CZ 4.25Å; I39-K111 HydrophobicContact CD1-CB 3.9Å; I39-K111 HydrophobicContact CD1-CG 4.25Å; I39-L114 HydrophobicContact CD1-CD1 4.08Å; I39-L114 HydrophobicContact CG1-CD1 4.39Å; I39-L114 HydrophobicContact CG2-CD1 3.73Å
40S90.9Very high89.2Confident29 Ų2947.3 Ų47.320%0.20326%0.259CS..EExtended strand (participates in β ladder)trans-98.5121.4171.157.40000109.6G22G22-S40 WeakPolarHBondContact CA-OG 3.24Å; G22-S40 PolarHBondContact O-N 3.11Å; G22-S40 PolarHBondContact O-OG 3.09Å
41V91.4Very high89.5Confident6 Ų639.4 Ų39.44%0.03622%0.217CC..  trans-97114.3-179.3-175.80000109.1S43 Y46 G48 G49 F51 L114V41-S43 VanDerWaalsContact CG1-O 3.26Å; V41-S43 WeakPolarHBondContact CG1-O 3.28Å; V41-Y46 WeakPolarHBondContact CB-O 3.28Å; V41-G48 PolarHBondContact O-N 3.02Å; V41-G49 PolarHBondContact N-O 3.4Å; V41-F51 HydrophobicContact CG2-CD2 4.02Å; V41-F51 HydrophobicContact CG2-CE2 3.97Å; V41-L114 HydrophobicContact CG2-CB 3.83Å; V41-L114 HydrophobicContact CG2-CD1 3.85Å; V41-L114 HydrophobicContact CG2-CG 4.49Å
42R88.4Confident89.7Confident152 Ų15237.5 Ų37.557%0.57421%0.207SC*.  trans-103.43.8-174.5-62.1-168.3-178.2121.9-0.2114.4S21 F47S21-R42 PolarHBondContact OG-NH1 2.96Å; R42-F47 VanDerWaalsContact C-CD2 3.42Å; R42-F47 VanDerWaalsContact O-CD2 3.23Å; R42-F47 WeakPolarHBondContact O-CD2 3.48Å; R42-F47 WeakPolarHBondContact O-CE2 3.48Å
43S88.2Confident89.9Confident57 Ų5734.4 Ų34.440%0.39919%0.186SC..SBendtrans-165.1158.9179.3470000110.7V41 T115V41-S43 VanDerWaalsContact CG1-O 3.26Å; V41-S43 WeakPolarHBondContact CG1-O 3.28Å; S43-T115 WeakPolarHBondContact OG-CG2 3.39Å
44G88.2Confident90Very high43 Ų4334.8 Ų34.844%0.44319%0.189SC..SBendtrans89.7-166.8-17900000113.1Y46 F47 T115G44-Y46 PolarHBondContact O-N 2.95Å; G44-F47 WeakPolarHBondContact O-CB 3.47Å; G44-F47 PolarHBondContact O-N 3.31Å; G44-T115 WeakPolarHBondContact CA-O 3.34Å
45Y88.5Confident90.1Very high60 Ų6030.8 Ų30.824%0.23517%0.172CC..THydrogen-bonded Turntrans-63.5-25.4-174.2-64.7-80.8000114.4P117 L149 F156 D157Y45-P117 HydrophobicContact CD2-CG 3.71Å; Y45-P117 HydrophobicContact CE2-CG 4.04Å; Y45-L149 HydrophobicContact CD2-CD1 4.46Å; Y45-L149 HydrophobicContact CE2-CD1 3.73Å; Y45-F156 AromaticContact CD1-CD1 3.86Å; Y45-F156 HydrophobicContact CD1-CD1 3.86Å; Y45-F156 HydrophobicContact CD1-CE1 4.16Å; Y45-F156 HydrophobicContact CD2-CD1 4.24Å; Y45-F156 AromaticContact CD2-CE1 3.85Å; Y45-F156 HydrophobicContact CD2-CE1 3.85Å; Y45-F156 HydrophobicContact CE1-CD1 4.08Å; Y45-F156 HydrophobicContact CE2-CD1 4.46Å; Y45-F156 HydrophobicContact CE2-CE1 4.37Å; Y45-F156 AromaticContact CG-CD1 3.92Å; Y45-F156 HydrophobicContact CG-CD1 3.92Å; Y45-F156 AromaticContact CG-CE1 3.73Å; Y45-F156 HydrophobicContact CG-CE1 3.73Å; Y45-D157 HydrophobicContact CD1-CB 3.93Å; Y45-D157 HydrophobicContact CE1-CB 4.12Å
46Y90.8Very high90.2Very high0 Ų033 Ų330%019%0.187CC..THydrogen-bonded Turntrans-101.623.9179.8-49.1-90000112.6V41 G44 G48 G49 F51 F75 Y76 H77 L114 F156 A160 C163V41-Y46 WeakPolarHBondContact CB-O 3.28Å; G44-Y46 PolarHBondContact O-N 2.95Å; Y46-G48 PolarHBondContact O-N 3.4Å; Y46-G49 PolarHBondContact O-N 2.98Å; Y46-F51 HydrophobicContact CD1-CZ 4.38Å; Y46-F75 HydrophobicContact CD1-CE1 4.17Å; Y46-F75 AromaticContact CD1-CZ 3.69Å; Y46-F75 HydrophobicContact CD1-CZ 3.69Å; Y46-F75 AromaticContact CE1-CE1 3.62Å; Y46-F75 HydrophobicContact CE1-CE1 3.62Å; Y46-F75 AromaticContact CE1-CZ 3.63Å; Y46-F75 HydrophobicContact CE1-CZ 3.63Å; Y46-F75 HydrophobicContact CG-CZ 4.31Å; Y46-F75 AromaticContact CZ-CE1 3.87Å; Y46-Y76 PolarHBondContact OH-O 3.24Å; Y46-H77 AromaticContact CE2-CD2 3.7Å; Y46-H77 AromaticContact CZ-CD2 3.83Å; Y46-H77 WeakPolarHBondContact OH-CB 3.31Å; Y46-H77 PolarHBondContact OH-CD2 3.1Å; Y46-H77 VanDerWaalsContact OH-CD2 3.32Å; Y46-L114 WeakPolarHBondContact CD2-O 3.44Å; Y46-F156 WeakPolarHBondContact OH-CZ 3.33Å; Y46-A160 HydrophobicContact CD1-CB 4.02Å; Y46-A160 HydrophobicContact CE1-CB 3.72Å; Y46-C163 HydrophobicContact CD1-CB 4.47Å; Y46-C163 HydrophobicContact CE1-CB 4.36Å
47F89.7Confident90.3Very high144 Ų14432.3 Ų32.363%0.63218%0.183SC*.THydrogen-bonded Turntrans-52.1133.7179.5174-102.9000112.4R42 G44 G49R42-F47 VanDerWaalsContact C-CD2 3.42Å; R42-F47 VanDerWaalsContact O-CD2 3.23Å; R42-F47 WeakPolarHBondContact O-CD2 3.48Å; R42-F47 WeakPolarHBondContact O-CE2 3.48Å; G44-F47 WeakPolarHBondContact O-CB 3.47Å; G44-F47 PolarHBondContact O-N 3.31Å; F47-G49 PolarHBondContact O-N 3.47Å
48G85.8Confident90.3Very high46 Ų4633.1 Ų33.147%0.47419%0.189SC..THydrogen-bonded Turntrans82.9-9-179.200000113.8V41 Y46V41-G48 PolarHBondContact O-N 3.02Å; Y46-G48 PolarHBondContact O-N 3.4Å
49G87.5Confident90.2Very high0 Ų039.1 Ų39.10%022%0.221CC..  trans-74.7133175.200000112.6V41 Y46 F47V41-G49 PolarHBondContact N-O 3.4Å; Y46-G49 PolarHBondContact O-N 2.98Å; F47-G49 PolarHBondContact O-N 3.47Å
50V89.5Confident90Very high20 Ų2042.7 Ų42.712%0.12124%0.24CC..EExtended strand (participates in β ladder)trans-114117.6165.8-179.70000107.1I38 I39 S168 V169 W170I38-V50 HydrophobicContact CG2-CG1 3.25Å; I39-V50 CarbonylContact O-C 3.05Å; I39-V50 WeakPolarHBondContact O-CA 3.46Å; V50-S168 PolarHBondContact N-OG 3.48Å; V50-S168 VanDerWaalsContact N-OG 3.12Å; V50-S168 CarbonylContact O-C 3.52Å; V50-S168 WeakPolarHBondContact O-CA 3.3Å; V50-S168 PolarHBondContact O-OG 3.26Å; V50-V169 HydrophobicContact CG1-CB 4.21Å; V50-V169 HydrophobicContact CG1-CG2 4.19Å; V50-V169 WeakPolarHBondContact O-CG2 3.45Å; V50-V169 PolarHBondContact O-N 3.42Å; V50-W170 HydrophobicContact CG2-CZ2 4.06Å
51F90.8Very high89.7Confident0 Ų041.8 Ų41.80%023%0.233CC..EExtended strand (participates in β ladder)trans-120.3138.6-173.3-54.3-70.3000111.1I38 I39 V41 Y46 L71 F75 L114 V164 L167I38-F51 CarbonylContact C-O 3.6Å; I38-F51 WeakPolarHBondContact CA-O 3.41Å; I39-F51 HydrophobicContact CG2-CB 4.07Å; I39-F51 PolarHBondContact N-O 3.3Å; I39-F51 PolarHBondContact O-N 2.84Å; V41-F51 HydrophobicContact CG2-CD2 4.02Å; V41-F51 HydrophobicContact CG2-CE2 3.97Å; Y46-F51 HydrophobicContact CD1-CZ 4.38Å; F51-L71 HydrophobicContact CB-CD2 4.15Å; F51-F75 HydrophobicContact CD1-CD2 4.49Å; F51-F75 AromaticContact CD1-CE2 3.74Å; F51-F75 HydrophobicContact CD1-CE2 3.74Å; F51-F75 HydrophobicContact CD2-CE2 4.15Å; F51-F75 HydrophobicContact CD2-CZ 4.44Å; F51-F75 AromaticContact CE1-CE2 3.71Å; F51-F75 HydrophobicContact CE1-CE2 3.71Å; F51-F75 HydrophobicContact CE2-CE2 4.13Å; F51-F75 HydrophobicContact CE2-CZ 4.25Å; F51-F75 AromaticContact CG-CE2 3.95Å; F51-F75 HydrophobicContact CG-CE2 3.95Å; F51-F75 AromaticContact CZ-CE2 3.9Å; F51-F75 HydrophobicContact CZ-CE2 3.9Å; F51-F75 HydrophobicContact CZ-CZ 4.27Å; F51-L114 HydrophobicContact CD2-CD1 4.45Å; F51-V164 HydrophobicContact CZ-CG2 3.92Å; F51-L167 HydrophobicContact CD1-CB 4.3Å; F51-L167 HydrophobicContact CE1-CB 4.25Å
52D90.1Very high89.4Confident26 Ų2644 Ų4414%0.13925%0.247CC..EExtended strand (participates in β ladder)trans-80.2146168.861.8-21.8000110.4G37 S72 V169G37-D52 CarbonylContact O-C 3.39Å; G37-D52 WeakPolarHBondContact O-CA 3.45Å; D52-S72 PolarHBondContact OD1-OG 3.26Å; D52-V169 HydrophobicContact CB-CG2 4.09Å
53F92.2Very high89.1Confident4 Ų437 Ų372%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-143.1155.3174.967.2-95.1000110.7V23 V25 G37 I39 L69 Y70 L71 L107 F110V23-F53 HydrophobicContact CG1-CE1 4.15Å; V23-F53 HydrophobicContact CG1-CZ 3.9Å; V25-F53 HydrophobicContact CG2-CE1 4.46Å; V25-F53 HydrophobicContact CG2-CE2 3.89Å; V25-F53 HydrophobicContact CG2-CZ 3.42Å; V25-F53 VanDerWaalsContact CG2-CZ 3.42Å; G37-F53 VanDerWaalsContact C-CD1 3.46Å; G37-F53 VanDerWaalsContact C-CE1 3.41Å; G37-F53 PolarHBondContact N-O 3.39Å; G37-F53 WeakPolarHBondContact O-CD1 3.35Å; G37-F53 PolarHBondContact O-N 3.23Å; I39-F53 HydrophobicContact CB-CD1 4.14Å; I39-F53 HydrophobicContact CB-CE1 3.96Å; I39-F53 HydrophobicContact CG2-CD1 4.01Å; I39-F53 HydrophobicContact CG2-CE1 4.34Å; F53-L69 HydrophobicContact CB-CD1 4.46Å; F53-L69 HydrophobicContact CD2-CD1 3.49Å; F53-L69 VanDerWaalsContact CD2-CD1 3.49Å; F53-L69 HydrophobicContact CE2-CD1 4.01Å; F53-L69 HydrophobicContact CG-CD1 4.26Å; F53-Y70 CarbonylContact C-O 3.6Å; F53-Y70 VanDerWaalsContact CA-O 3.22Å; F53-Y70 WeakPolarHBondContact CA-O 3.2Å; F53-Y70 WeakPolarHBondContact CB-O 3.47Å; F53-L71 HydrophobicContact CB-CD2 4.24Å; F53-L107 HydrophobicContact CE2-CD2 3.62Å; F53-L107 HydrophobicContact CZ-CD2 3.74Å; F53-F110 HydrophobicContact CB-CE1 4.18Å; F53-F110 HydrophobicContact CB-CZ 4.31Å; F53-F110 AromaticContact CD1-CE1 3.75Å; F53-F110 HydrophobicContact CD1-CE1 3.75Å; F53-F110 HydrophobicContact CD2-CE1 4.48Å; F53-F110 HydrophobicContact CE1-CE1 4.14Å; F53-F110 AromaticContact CG-CE1 3.9Å; F53-F110 HydrophobicContact CG-CE1 3.9Å
54V92.8Very high88.9Confident26 Ų2639.7 Ų39.716%0.15824%0.236CC..EExtended strand (participates in β ladder)trans-117.7122.7176.9-173.50000108.3K34 W35 L36 L69 Y70K34-V54 HydrophobicContact CD-CG1 4.29Å; K34-V54 VanDerWaalsContact CE-CG1 3.46Å; K34-V54 HydrophobicContact CG-CG1 3.81Å; W35-V54 CarbonylContact O-C 3.57Å; W35-V54 WeakPolarHBondContact O-CA 3.45Å; L36-V54 HydrophobicContact CD2-CB 4.35Å; L36-V54 HydrophobicContact CD2-CG1 4.19Å; L36-V54 HydrophobicContact CD2-CG2 3.68Å; V54-L69 CarbonylContact O-C 3.57Å; V54-Y70 PolarHBondContact N-O 2.94Å; V54-Y70 PolarHBondContact O-N 3.32Å
55L93.7Very high88.8Confident0 Ų043.5 Ų43.50%024%0.24CC..EExtended strand (participates in β ladder)trans-100.8120.9170.1176.578.6000108.4W35 L57 P67 K68 L69 I103W35-L55 HydrophobicContact CB-CB 4.16Å; W35-L55 HydrophobicContact CB-CD2 4.45Å; W35-L55 HydrophobicContact CD2-CD2 4.32Å; W35-L55 HydrophobicContact CE3-CD2 3.87Å; W35-L55 PolarHBondContact N-O 3.33Å; W35-L55 PolarHBondContact O-N 3.2Å; L55-L57 HydrophobicContact CD2-CD2 4.03Å; L55-L57 HydrophobicContact CG-CD2 4.19Å; L55-P67 HydrophobicContact CD1-CB 4.09Å; L55-K68 CarbonylContact C-O 3.49Å; L55-K68 WeakPolarHBondContact CA-O 3.4Å; L55-L69 HydrophobicContact CB-CD1 4.12Å; L55-L69 HydrophobicContact CD1-CD1 4.07Å; L55-I103 HydrophobicContact CD2-CD1 4.4Å; L55-I103 HydrophobicContact CD2-CG1 4.5Å; L55-I103 HydrophobicContact CD2-CG2 3.36Å
56S93.7Very high88.8Confident47 Ų4741.6 Ų41.633%0.32923%0.234SC..EExtended strand (participates in β ladder)trans-107.9116.1176.9178.90000109.4P67 K68S56-P67 WeakPolarHBondContact O-CA 3.48Å; S56-K68 PolarHBondContact N-O 2.97Å; S56-K68 PolarHBondContact O-N 3.44Å
57L92.3Very high88.9Confident4 Ų441.6 Ų41.62%0.02123%0.234CC..  trans-82.7148.7172.7-53.6-175.8000109.6L33 W35 L55 F61 P67 I103L33-L57 HydrophobicContact CB-CB 4.18Å; L33-L57 HydrophobicContact CD2-CB 4.07Å; L33-L57 HydrophobicContact CD2-CD1 4.47Å; L33-L57 WeakPolarHBondContact O-CB 3.32Å; L33-L57 WeakPolarHBondContact O-CG 3.26Å; L33-L57 PolarHBondContact O-N 3.13Å; W35-L57 HydrophobicContact CZ2-CD1 4.02Å; L55-L57 HydrophobicContact CD2-CD2 4.03Å; L55-L57 HydrophobicContact CG-CD2 4.19Å; L57-F61 HydrophobicContact CB-CB 4.42Å; L57-F61 HydrophobicContact CB-CD2 4.45Å; L57-F61 HydrophobicContact CB-CG 4.46Å; L57-F61 HydrophobicContact CD1-CD1 4.4Å; L57-F61 HydrophobicContact CD1-CG 4.39Å; L57-P67 HydrophobicContact CD2-CB 3.91Å; L57-P67 HydrophobicContact CD2-CG 4.11Å; L57-I103 HydrophobicContact CD1-CD1 3.98Å; L57-I103 HydrophobicContact CD2-CD1 3.66Å; L57-I103 HydrophobicContact CD2-CG1 4.2Å; L57-I103 HydrophobicContact CG-CD1 4.47Å
58P91Very high89Confident18 Ų1838.6 Ų38.612%0.11722%0.221CC..  trans-67.1149.217528.3-34.4000111.7D60 F61 K65P58-D60 PolarHBondContact O-N 2.99Å; P58-D60 VanDerWaalsContact O-N 3.09Å; P58-F61 HydrophobicContact CG-CB 4.21Å; P58-F61 HydrophobicContact CG-CD2 4.33Å; P58-F61 VanDerWaalsContact O-CB 3.29Å; P58-F61 WeakPolarHBondContact O-CB 3.4Å; P58-F61 PolarHBondContact O-N 3.33Å; P58-K65 HydrophobicContact CB-CB 4.09Å; P58-K65 HydrophobicContact CB-CD 4.39Å; P58-K65 HydrophobicContact CG-CB 4.31Å
59D87.7Confident89.4Confident139 Ų13936.4 Ų36.474%0.74320%0.198SC*.THydrogen-bonded Turntrans-55.2-30.1178.8-60.1-32.2000113.1Q4Q4-D59 PolarHBondContact NE2-O 3.32Å
60D86.4Confident89.7Confident76 Ų7639.3 Ų39.341%0.40621%0.21SC..THydrogen-bonded Turntrans-95.523.1178.659.5-46.2000114P58 P62 S63 K65P58-D60 PolarHBondContact O-N 2.99Å; P58-D60 VanDerWaalsContact O-N 3.09Å; D60-P62 CarbonylContact O-C 3.21Å; D60-S63 VanDerWaalsContact CG-CB 3.43Å; D60-S63 VanDerWaalsContact CG-OG 3.23Å; D60-S63 WeakPolarHBondContact O-CB 3.1Å; D60-S63 PolarHBondContact O-N 3.41Å; D60-S63 PolarHBondContact OD1-OG 3.26Å; D60-S63 WeakPolarHBondContact OD2-CB 3.38Å; D60-S63 PolarHBondContact OD2-OG 3.5Å; D60-K65 IonicContact OD1-NZ 3.86Å; D60-K65 PolarHBondContact OD1-NZ 3.28Å; D60-K65 IonicContact OD2-NZ 2.72Å
61F85.5Confident89.9Confident10 Ų1038.9 Ų38.94%0.04421%0.206CC..SBendtrans-59.7134.4179.3-172.5-95.8000113.2Q4 H7 I8 E11 L33 L57 P58 I103Q4-F61 VanDerWaalsContact CG-O 3.31Å; Q4-F61 WeakPolarHBondContact CG-O 3.49Å; Q4-F61 PolarHBondContact NE2-O 3.38Å; H7-F61 HydrophobicContact CB-CD1 4.39Å; H7-F61 HydrophobicContact CB-CE1 4.07Å; I8-F61 HydrophobicContact CG1-CD1 4.09Å; I8-F61 HydrophobicContact CG1-CE1 4.4Å; E11-F61 HydrophobicContact CG-CE1 4.13Å; E11-F61 HydrophobicContact CG-CZ 3.82Å; L33-F61 HydrophobicContact CD2-CB 4.24Å; L57-F61 HydrophobicContact CB-CB 4.42Å; L57-F61 HydrophobicContact CB-CD2 4.45Å; L57-F61 HydrophobicContact CB-CG 4.46Å; L57-F61 HydrophobicContact CD1-CD1 4.4Å; L57-F61 HydrophobicContact CD1-CG 4.39Å; P58-F61 HydrophobicContact CG-CB 4.21Å; P58-F61 HydrophobicContact CG-CD2 4.33Å; P58-F61 VanDerWaalsContact O-CB 3.29Å; P58-F61 WeakPolarHBondContact O-CB 3.4Å; P58-F61 PolarHBondContact O-N 3.33Å; F61-I103 HydrophobicContact CZ-CD1 4.34Å
62P84.4Confident89.7Confident51 Ų5139.8 Ų39.833%0.33121%0.213SC..SBendcis-73.7120.6-4.530-33.9000112.1H7 D60 P98H7-P62 HydrophobicContact CB-CG 4.37Å; H7-P62 VanDerWaalsContact CD2-CD 3.46Å; H7-P62 WeakPolarHBondContact CD2-CD 3.49Å; D60-P62 CarbonylContact O-C 3.21Å; P62-P98 HydrophobicContact CB-CB 3.98Å
63S82.3Confident89.6Confident7 Ų745.5 Ų45.55%0.04924%0.236CC..  trans-115.4164.3-178.2-179.20000110.8D60 K65 W96D60-S63 VanDerWaalsContact CG-CB 3.43Å; D60-S63 VanDerWaalsContact CG-OG 3.23Å; D60-S63 WeakPolarHBondContact O-CB 3.1Å; D60-S63 PolarHBondContact O-N 3.41Å; D60-S63 PolarHBondContact OD1-OG 3.26Å; D60-S63 WeakPolarHBondContact OD2-CB 3.38Å; D60-S63 PolarHBondContact OD2-OG 3.5Å; S63-K65 PolarHBondContact O-N 3.22Å; S63-K65 PolarHBondContact OG-N 2.82Å; S63-W96 VanDerWaalsContact O-CD1 3.24Å; S63-W96 PolarHBondContact O-NE1 2.9Å
64T83.2Confident89.3Confident112 Ų11252.2 Ų52.269%0.68727%0.268SS*.SBendtrans-71.5-9.6164.358.20000112.3
65K86.6Confident89.2Confident123 Ų12351 Ų5154%0.53526%0.26SS..SBendtrans-75.6133.5172.4-65.2174.8-170157.40110.9P58 D60 S63P58-K65 HydrophobicContact CB-CB 4.09Å; P58-K65 HydrophobicContact CB-CD 4.39Å; P58-K65 HydrophobicContact CG-CB 4.31Å; D60-K65 IonicContact OD1-NZ 3.86Å; D60-K65 PolarHBondContact OD1-NZ 3.28Å; D60-K65 IonicContact OD2-NZ 2.72Å; S63-K65 PolarHBondContact O-N 3.22Å; S63-K65 PolarHBondContact OG-N 2.82Å
66L88.8Confident89.1Confident20 Ų2052 Ų5211%0.10526%0.264CS..PPolyproline II helixtrans-67.7130.2176.9-179.887.7000110.7V89 Y90 F93 W96L66-V89 HydrophobicContact CD1-CG2 4.02Å; L66-V89 HydrophobicContact CD2-CG2 3.5Å; L66-V89 VanDerWaalsContact CD2-CG2 3.5Å; L66-V89 HydrophobicContact CG-CG2 4.08Å; L66-Y90 HydrophobicContact CB-CE1 4.47Å; L66-Y90 HydrophobicContact CD2-CD1 3.91Å; L66-Y90 HydrophobicContact CD2-CD2 4.31Å; L66-Y90 HydrophobicContact CD2-CE1 3.63Å; L66-Y90 HydrophobicContact CD2-CE2 4.04Å; L66-Y90 HydrophobicContact CD2-CG 4.24Å; L66-F93 HydrophobicContact CD1-CB 3.71Å; L66-F93 HydrophobicContact CD1-CG 4.39Å; L66-W96 HydrophobicContact CB-CB 4.15Å; L66-W96 HydrophobicContact CB-CG 4.44Å; L66-W96 HydrophobicContact CD1-CB 4.14Å; L66-W96 HydrophobicContact CD1-CD2 4.08Å; L66-W96 HydrophobicContact CD1-CE3 3.59Å; L66-W96 HydrophobicContact CD1-CG 4.32Å; L66-W96 HydrophobicContact CD1-CZ3 4.32Å
67P92.4Very high88.9Confident1 Ų149.7 Ų49.71%0.00625%0.248CC..PPolyproline II helixtrans-58.6140.6167.4-24.134.6000112.1L55 S56 L57 W96 I106L55-P67 HydrophobicContact CD1-CB 4.09Å; S56-P67 WeakPolarHBondContact O-CA 3.48Å; L57-P67 HydrophobicContact CD2-CB 3.91Å; L57-P67 HydrophobicContact CD2-CG 4.11Å; P67-W96 HydrophobicContact CG-CH2 4.39Å; P67-W96 HydrophobicContact CG-CZ2 4.02Å; P67-I106 HydrophobicContact CB-CD1 3.73Å; P67-I106 HydrophobicContact CG-CD1 3.65Å
68K93.1Very high88.8Confident80 Ų8049.5 Ų49.535%0.34825%0.247SC..EExtended strand (participates in β ladder)trans-98.5142.2-178.9-62.8-170.1177.1-162.10111L55 S56 Y70 E86L55-K68 CarbonylContact C-O 3.49Å; L55-K68 WeakPolarHBondContact CA-O 3.4Å; S56-K68 PolarHBondContact N-O 2.97Å; S56-K68 PolarHBondContact O-N 3.44Å; K68-Y70 HydrophobicContact CB-CD2 4.47Å; K68-Y70 HydrophobicContact CB-CE2 3.61Å; K68-Y70 HydrophobicContact CD-CE2 4.46Å; K68-Y70 WeakPolarHBondContact CD-OH 3.37Å; K68-E86 IonicContact NZ-OE1 3.37Å
69L94.3Very high88.8Confident0 Ų048.8 Ų48.80%024%0.243CC..EExtended strand (participates in β ladder)trans-119.6135179-173.776000109.1F53 V54 L55 V87 F110F53-L69 HydrophobicContact CB-CD1 4.46Å; F53-L69 HydrophobicContact CD2-CD1 3.49Å; F53-L69 VanDerWaalsContact CD2-CD1 3.49Å; F53-L69 HydrophobicContact CE2-CD1 4.01Å; F53-L69 HydrophobicContact CG-CD1 4.26Å; V54-L69 CarbonylContact O-C 3.57Å; L55-L69 HydrophobicContact CB-CD1 4.12Å; L55-L69 HydrophobicContact CD1-CD1 4.07Å; L69-V87 HydrophobicContact CB-CB 4.14Å; L69-V87 HydrophobicContact CB-CG2 4.38Å; L69-V87 HydrophobicContact CD2-CB 4.03Å; L69-V87 HydrophobicContact CD2-CG1 4.25Å; L69-V87 HydrophobicContact CD2-CG2 3.99Å; L69-V87 HydrophobicContact CG-CB 4.29Å; L69-V87 HydrophobicContact CG-CG2 4.09Å; L69-V87 PolarHBondContact O-N 3.46Å; L69-F110 HydrophobicContact CD2-CB 3.73Å; L69-F110 HydrophobicContact CD2-CD1 3.64Å; L69-F110 HydrophobicContact CD2-CD2 3.24Å; L69-F110 HydrophobicContact CD2-CE1 3.94Å; L69-F110 HydrophobicContact CD2-CE2 3.58Å; L69-F110 HydrophobicContact CD2-CG 3.25Å; L69-F110 HydrophobicContact CD2-CZ 3.9Å
70Y93.5Very high88.9Confident62 Ų6242.2 Ų42.224%0.24321%0.207CC..EExtended strand (participates in β ladder)trans-127.2133.3-178.3-60.2-86000110.2F53 V54 K68 G85 E86F53-Y70 CarbonylContact C-O 3.6Å; F53-Y70 VanDerWaalsContact CA-O 3.22Å; F53-Y70 WeakPolarHBondContact CA-O 3.2Å; F53-Y70 WeakPolarHBondContact CB-O 3.47Å; V54-Y70 PolarHBondContact N-O 2.94Å; V54-Y70 PolarHBondContact O-N 3.32Å; K68-Y70 HydrophobicContact CB-CD2 4.47Å; K68-Y70 HydrophobicContact CB-CE2 3.61Å; K68-Y70 HydrophobicContact CD-CE2 4.46Å; K68-Y70 WeakPolarHBondContact CD-OH 3.37Å; Y70-G85 CarbonylContact C-O 3.58Å; Y70-G85 WeakPolarHBondContact CA-O 3.23Å; Y70-E86 HydrophobicContact CD1-CB 3.96Å; Y70-E86 HydrophobicContact CD1-CG 4.34Å; Y70-E86 HydrophobicContact CE1-CB 3.74Å; Y70-E86 HydrophobicContact CE1-CG 3.87Å
71L92.1Very high89.2Confident10 Ų1040.6 Ų40.65%0.05220%0.199CC..EExtended strand (participates in β ladder)trans-100.1172.7166.8-87.1169.8000110.2F51 F53 F75 V80 G85 V87 F110 L114F51-L71 HydrophobicContact CB-CD2 4.15Å; F53-L71 HydrophobicContact CB-CD2 4.24Å; L71-F75 HydrophobicContact CB-CB 4.38Å; L71-F75 HydrophobicContact CB-CG 4.43Å; L71-F75 HydrophobicContact CD1-CD1 3.88Å; L71-F75 HydrophobicContact CD1-CD2 4.24Å; L71-F75 HydrophobicContact CD1-CE1 4Å; L71-F75 HydrophobicContact CD1-CE2 4.36Å; L71-F75 HydrophobicContact CD1-CG 4.01Å; L71-F75 HydrophobicContact CD1-CZ 4.25Å; L71-V80 HydrophobicContact CB-CG1 4.34Å; L71-V80 HydrophobicContact CD1-CG1 4.42Å; L71-V80 HydrophobicContact CD1-CG2 3.84Å; L71-G85 PolarHBondContact N-O 2.92Å; L71-V87 HydrophobicContact CB-CG2 4.39Å; L71-V87 HydrophobicContact CD1-CG2 4Å; L71-V87 HydrophobicContact CG-CG2 4.04Å; L71-F110 HydrophobicContact CD1-CE2 3.8Å; L71-F110 HydrophobicContact CD1-CZ 3.94Å; L71-F110 HydrophobicContact CD2-CZ 3.82Å; L71-F110 HydrophobicContact CG-CE2 4.1Å; L71-F110 HydrophobicContact CG-CZ 3.83Å; L71-L114 HydrophobicContact CD1-CD2 4.32Å
72S88.4Confident89.3Confident20 Ų2047.3 Ų47.314%0.1422%0.224CC..PPolyproline II helixtrans-54.2145.5169.4-22.50000110.2D52 F75D52-S72 PolarHBondContact OD1-OG 3.26Å; S72-F75 VanDerWaalsContact O-CB 3.31Å; S72-F75 WeakPolarHBondContact O-CB 3.1Å; S72-F75 PolarHBondContact O-N 3.45Å
73K87.3Confident89.6Confident146 Ų14649.6 Ų49.664%0.63523%0.232SC*.THydrogen-bonded Turntrans-62157.9176-62-179-1791790110.3F75K73-F75 PolarHBondContact O-N 3.05Å
74E86.5Confident89.9Confident144 Ų14452.3 Ų52.367%0.67325%0.248SC*.THydrogen-bonded Turntrans64.512.9-177.3-48.4178.9171.900114.3Y76 W82E74-Y76 PolarHBondContact O-N 3.5Å; E74-W82 PolarHBondContact N-O 3.02Å
75F90Very high90.3Very high0 Ų047 Ų470%022%0.216CC..  trans-68.7114.7173.8-162.4-81.7000110.2Y46 F51 L71 S72 K73 H77 V80 L114 L167Y46-F75 HydrophobicContact CD1-CE1 4.17Å; Y46-F75 AromaticContact CD1-CZ 3.69Å; Y46-F75 HydrophobicContact CD1-CZ 3.69Å; Y46-F75 AromaticContact CE1-CE1 3.62Å; Y46-F75 HydrophobicContact CE1-CE1 3.62Å; Y46-F75 AromaticContact CE1-CZ 3.63Å; Y46-F75 HydrophobicContact CE1-CZ 3.63Å; Y46-F75 HydrophobicContact CG-CZ 4.31Å; Y46-F75 AromaticContact CZ-CE1 3.87Å; F51-F75 HydrophobicContact CD1-CD2 4.49Å; F51-F75 AromaticContact CD1-CE2 3.74Å; F51-F75 HydrophobicContact CD1-CE2 3.74Å; F51-F75 HydrophobicContact CD2-CE2 4.15Å; F51-F75 HydrophobicContact CD2-CZ 4.44Å; F51-F75 AromaticContact CE1-CE2 3.71Å; F51-F75 HydrophobicContact CE1-CE2 3.71Å; F51-F75 HydrophobicContact CE2-CE2 4.13Å; F51-F75 HydrophobicContact CE2-CZ 4.25Å; F51-F75 AromaticContact CG-CE2 3.95Å; F51-F75 HydrophobicContact CG-CE2 3.95Å; F51-F75 AromaticContact CZ-CE2 3.9Å; F51-F75 HydrophobicContact CZ-CE2 3.9Å; F51-F75 HydrophobicContact CZ-CZ 4.27Å; L71-F75 HydrophobicContact CB-CB 4.38Å; L71-F75 HydrophobicContact CB-CG 4.43Å; L71-F75 HydrophobicContact CD1-CD1 3.88Å; L71-F75 HydrophobicContact CD1-CD2 4.24Å; L71-F75 HydrophobicContact CD1-CE1 4Å; L71-F75 HydrophobicContact CD1-CE2 4.36Å; L71-F75 HydrophobicContact CD1-CG 4.01Å; L71-F75 HydrophobicContact CD1-CZ 4.25Å; S72-F75 VanDerWaalsContact O-CB 3.31Å; S72-F75 WeakPolarHBondContact O-CB 3.1Å; S72-F75 PolarHBondContact O-N 3.45Å; K73-F75 PolarHBondContact O-N 3.05Å; F75-H77 HydrophobicContact CD1-CB 3.72Å; F75-H77 HydrophobicContact CE1-CB 3.78Å; F75-H77 PolarHBondContact O-N 3.42Å; F75-V80 HydrophobicContact CB-CG1 4.21Å; F75-V80 HydrophobicContact CD1-CB 4.49Å; F75-V80 HydrophobicContact CD1-CG2 4.23Å; F75-L114 HydrophobicContact CE1-CD2 3.82Å; F75-L114 HydrophobicContact CZ-CD2 3.81Å; F75-L167 HydrophobicContact CB-CD1 4.04Å; F75-L167 HydrophobicContact CD2-CD1 3.67Å; F75-L167 HydrophobicContact CG-CD1 4.24Å
76Y90.8Very high90.6Very high21 Ų2143.2 Ų43.28%0.08220%0.2CC..  trans-84.697.8-175.7-170.8-103.7000110.6Y46 E74 A145 A148 F156 R159 C163Y46-Y76 PolarHBondContact OH-O 3.24Å; E74-Y76 PolarHBondContact O-N 3.5Å; Y76-A145 HydrophobicContact CD1-CB 4.34Å; Y76-A145 HydrophobicContact CD2-CB 4.27Å; Y76-A145 HydrophobicContact CE1-CB 3.99Å; Y76-A145 HydrophobicContact CE2-CB 3.9Å; Y76-A145 HydrophobicContact CG-CB 4.48Å; Y76-A145 WeakPolarHBondContact OH-CA 3.41Å; Y76-A148 VanDerWaalsContact OH-CB 3.23Å; Y76-A148 WeakPolarHBondContact OH-CB 3.31Å; Y76-F156 HydrophobicContact CD1-CD2 4.15Å; Y76-F156 HydrophobicContact CD1-CE2 4.07Å; Y76-F156 AromaticContact CE1-CD2 3.58Å; Y76-F156 HydrophobicContact CE1-CD2 3.58Å; Y76-F156 AromaticContact CE1-CE2 3.89Å; Y76-F156 HydrophobicContact CE1-CE2 3.89Å; Y76-F156 HydrophobicContact CE1-CG 4.45Å; Y76-R159 HydrophobicContact CD1-CB 3.59Å; Y76-R159 HydrophobicContact CD1-CG 4.43Å; Y76-R159 HydrophobicContact CE1-CB 3.84Å; Y76-R159 VanDerWaalsContact CE1-CD 3.45Å; Y76-R159 HydrophobicContact CE1-CG 4.31Å; Y76-R159 HydrophobicContact CG-CB 4.19Å; Y76-R159 VanDerWaalsContact CZ-CD 3.44Å; Y76-R159 PolarHBondContact OH-NH1 3Å; Y76-C163 VanDerWaalsContact CB-SG 3.59Å; Y76-C163 PolarHBondContact N-SG 3.47Å; Y76-C163 VanDerWaalsContact N-SG 3.38Å
77H90.9Very high90.8Very high0 Ų042.5 Ų42.50%020%0.196CC..  trans-154145.3178.9-177.7-83.1000111.6Y46 F75 H79 V80 L113 N142Y46-H77 AromaticContact CE2-CD2 3.7Å; Y46-H77 AromaticContact CZ-CD2 3.83Å; Y46-H77 WeakPolarHBondContact OH-CB 3.31Å; Y46-H77 PolarHBondContact OH-CD2 3.1Å; Y46-H77 VanDerWaalsContact OH-CD2 3.32Å; F75-H77 HydrophobicContact CD1-CB 3.72Å; F75-H77 HydrophobicContact CE1-CB 3.78Å; F75-H77 PolarHBondContact O-N 3.42Å; H77-H79 VanDerWaalsContact C-N 3.32Å; H77-H79 AromaticContact CE1-CD2 3.8Å; H77-H79 PolarHBondContact ND1-N 2.9Å; H77-H79 PolarHBondContact O-N 3.32Å; H77-V80 HydrophobicContact CB-CB 3.98Å; H77-V80 HydrophobicContact CB-CG2 3.68Å; H77-V80 PolarHBondContact O-N 3.37Å; H77-V80 VanDerWaalsContact O-N 3.1Å; H77-V80 VanDerWaalsContact O-O 3.1Å; H77-L113 PolarHBondContact NE2-O 3.06Å; H77-N142 WeakPolarHBondContact O-CB 3.39Å
78P89.8Confident90.6Very high0 Ų043.9 Ų43.90%021%0.206CC..THydrogen-bonded Turntrans-57-39.6-175.4-26.434.7000114.8M121 Y140 A141 N142 A145 A146 L149 F156P78-M121 HydrophobicContact CG-CE 4.4Å; P78-Y140 HydrophobicContact CB-CD1 4.33Å; P78-A141 PolarHBondContact O-N 3.01Å; P78-N142 PolarHBondContact O-N 3.38Å; P78-A145 HydrophobicContact CG-CB 4.29Å; P78-A146 HydrophobicContact CB-CB 4.02Å; P78-L149 HydrophobicContact CG-CD2 4.29Å; P78-F156 HydrophobicContact CG-CE2 4.27Å
79H89.7Confident90.2Very high3 Ų340.1 Ų40.11%0.01419%0.19CC..THydrogen-bonded Turntrans-93.26.1-179-62.6-89.3000114.3H77 S88 L113 Y140H77-H79 VanDerWaalsContact C-N 3.32Å; H77-H79 AromaticContact CE1-CD2 3.8Å; H77-H79 PolarHBondContact ND1-N 2.9Å; H77-H79 PolarHBondContact O-N 3.32Å; H79-S88 PolarHBondContact O-N 2.75Å; H79-L113 HydrophobicContact CB-CD2 3.94Å; H79-L113 VanDerWaalsContact CD2-CD2 3.46Å; H79-L113 WeakPolarHBondContact CD2-CD2 3.25Å; H79-Y140 AromaticContact CE1-CE1 3.98Å
80V91.2Very high89.6Confident1 Ų145.8 Ų45.81%0.00621%0.212CC..BIsolated β-bridgetrans-114.6127.7179.1-1750000108.4L71 F75 H77 W82 E86 V87 N142L71-V80 HydrophobicContact CB-CG1 4.34Å; L71-V80 HydrophobicContact CD1-CG1 4.42Å; L71-V80 HydrophobicContact CD1-CG2 3.84Å; F75-V80 HydrophobicContact CB-CG1 4.21Å; F75-V80 HydrophobicContact CD1-CB 4.49Å; F75-V80 HydrophobicContact CD1-CG2 4.23Å; H77-V80 HydrophobicContact CB-CB 3.98Å; H77-V80 HydrophobicContact CB-CG2 3.68Å; H77-V80 PolarHBondContact O-N 3.37Å; H77-V80 VanDerWaalsContact O-N 3.1Å; H77-V80 VanDerWaalsContact O-O 3.1Å; V80-W82 PolarHBondContact O-N 3.05Å; V80-E86 WeakPolarHBondContact CA-O 3.29Å; V80-V87 HydrophobicContact CG2-CG1 4.35Å; V80-V87 HydrophobicContact CG2-CG2 4.1Å; V80-N142 VanDerWaalsContact O-CB 3.24Å; V80-N142 WeakPolarHBondContact O-CB 3.25Å
81D91.3Very high88.9Confident41 Ų4145.6 Ų45.622%0.21922%0.218CC..  trans-70.2126.1172.6177.3-1.4000109.7I83 T84 G85 E86 A141D81-I83 VanDerWaalsContact C-N 3.31Å; D81-I83 PolarHBondContact O-N 3.23Å; D81-I83 PolarHBondContact OD1-N 3.36Å; D81-T84 VanDerWaalsContact CB-OG1 3.25Å; D81-T84 WeakPolarHBondContact CB-OG1 3.29Å; D81-T84 VanDerWaalsContact OD2-CG2 3.28Å; D81-T84 WeakPolarHBondContact OD2-CG2 3.42Å; D81-T84 PolarHBondContact OD2-OG1 2.76Å; D81-G85 WeakPolarHBondContact O-CA 3.21Å; D81-G85 PolarHBondContact O-N 3.42Å; D81-E86 PolarHBondContact N-O 2.99Å; D81-A141 HydrophobicContact CB-CB 4.26Å
82W89.2Confident88.3Confident152 Ų15249.3 Ų49.358%0.57623%0.234SC*.THydrogen-bonded Turntrans-65.8-29.7-175.878-74.3000113.6E74 V80E74-W82 PolarHBondContact N-O 3.02Å; V80-W82 PolarHBondContact O-N 3.05Å
83I89.7Confident88.2Confident99 Ų9949 Ų4951%0.50823%0.231SC..THydrogen-bonded Turntrans-87.2-49.7-176.8-60.1165.7000110.4D81D81-I83 VanDerWaalsContact C-N 3.31Å; D81-I83 PolarHBondContact O-N 3.23Å; D81-I83 PolarHBondContact OD1-N 3.36Å
84T90Very high87.9Confident63 Ų6347 Ų4739%0.38723%0.232SC..THydrogen-bonded Turntrans-87.9-24.7-172.764.20000112.6D81 E86D81-T84 VanDerWaalsContact CB-OG1 3.25Å; D81-T84 WeakPolarHBondContact CB-OG1 3.29Å; D81-T84 VanDerWaalsContact OD2-CG2 3.28Å; D81-T84 WeakPolarHBondContact OD2-CG2 3.42Å; D81-T84 PolarHBondContact OD2-OG1 2.76Å; T84-E86 PolarHBondContact O-N 3.26Å; T84-E86 WeakPolarHBondContact OG1-CB 3.46Å; T84-E86 PolarHBondContact OG1-N 3.01Å
85G90.4Very high87.8Confident0 Ų046.8 Ų46.80%024%0.235CC..  trans75.14.3-169.400000113.4Y70 L71 D81 V87Y70-G85 CarbonylContact C-O 3.58Å; Y70-G85 WeakPolarHBondContact CA-O 3.23Å; L71-G85 PolarHBondContact N-O 2.92Å; D81-G85 WeakPolarHBondContact O-CA 3.21Å; D81-G85 PolarHBondContact O-N 3.42Å; G85-V87 PolarHBondContact O-N 3.44Å
86E93.3Very high87.7Confident45 Ų4547.5 Ų47.521%0.2124%0.237CC..EExtended strand (participates in β ladder)trans-68.2126.5-177.9-170.4169.2174.600110.9K68 Y70 V80 D81 T84K68-E86 IonicContact NZ-OE1 3.37Å; Y70-E86 HydrophobicContact CD1-CB 3.96Å; Y70-E86 HydrophobicContact CD1-CG 4.34Å; Y70-E86 HydrophobicContact CE1-CB 3.74Å; Y70-E86 HydrophobicContact CE1-CG 3.87Å; V80-E86 WeakPolarHBondContact CA-O 3.29Å; D81-E86 PolarHBondContact N-O 2.99Å; T84-E86 PolarHBondContact O-N 3.26Å; T84-E86 WeakPolarHBondContact OG1-CB 3.46Å; T84-E86 PolarHBondContact OG1-N 3.01Å
87V92.6Very high87.5Confident4 Ų448.8 Ų48.82%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-90118.3177.5-170.70000109.2L69 L71 V80 G85 V89 F110 L113L69-V87 HydrophobicContact CB-CB 4.14Å; L69-V87 HydrophobicContact CB-CG2 4.38Å; L69-V87 HydrophobicContact CD2-CB 4.03Å; L69-V87 HydrophobicContact CD2-CG1 4.25Å; L69-V87 HydrophobicContact CD2-CG2 3.99Å; L69-V87 HydrophobicContact CG-CB 4.29Å; L69-V87 HydrophobicContact CG-CG2 4.09Å; L69-V87 PolarHBondContact O-N 3.46Å; L71-V87 HydrophobicContact CB-CG2 4.39Å; L71-V87 HydrophobicContact CD1-CG2 4Å; L71-V87 HydrophobicContact CG-CG2 4.04Å; V80-V87 HydrophobicContact CG2-CG1 4.35Å; V80-V87 HydrophobicContact CG2-CG2 4.1Å; G85-V87 PolarHBondContact O-N 3.44Å; V87-V89 HydrophobicContact CG1-CG1 4.28Å; V87-V89 PolarHBondContact O-N 2.88Å; V87-V89 VanDerWaalsContact O-N 3.16Å; V87-F110 HydrophobicContact CG1-CD2 4.15Å; V87-F110 HydrophobicContact CG1-CE2 4.31Å; V87-F110 HydrophobicContact CG2-CE2 4.04Å; V87-L113 HydrophobicContact CG1-CD1 3.86Å
88S87.9Confident87.2Confident30 Ų3050.6 Ų50.621%0.2126%0.258CS..  trans-76.3102.1177.1-69.40000111H79H79-S88 PolarHBondContact O-N 2.75Å
89V85.9Confident87Confident1 Ų158.6 Ų58.61%0.00630%0.295CS..  trans-99.70.6173.6-55.60000113.6L66 V87 T91 E92 F93 I106 Y109L66-V89 HydrophobicContact CD1-CG2 4.02Å; L66-V89 HydrophobicContact CD2-CG2 3.5Å; L66-V89 VanDerWaalsContact CD2-CG2 3.5Å; L66-V89 HydrophobicContact CG-CG2 4.08Å; V87-V89 HydrophobicContact CG1-CG1 4.28Å; V87-V89 PolarHBondContact O-N 2.88Å; V87-V89 VanDerWaalsContact O-N 3.16Å; V89-T91 PolarHBondContact O-N 3.24Å; V89-T91 VanDerWaalsContact O-N 3.13Å; V89-E92 PolarHBondContact O-N 3.27Å; V89-E92 VanDerWaalsContact O-N 3.14Å; V89-F93 HydrophobicContact CB-CD2 4.31Å; V89-F93 HydrophobicContact CG2-CD2 4.43Å; V89-F93 PolarHBondContact O-N 3.48Å; V89-I106 HydrophobicContact CG1-CG2 4.42Å; V89-Y109 HydrophobicContact CB-CD1 4.08Å; V89-Y109 HydrophobicContact CB-CE1 4.08Å; V89-Y109 HydrophobicContact CG1-CD1 3.92Å; V89-Y109 HydrophobicContact CG1-CE1 4.06Å
90Y80.6Confident86.8Confident120 Ų12065.4 Ų65.447%0.47132%0.324SS..THydrogen-bonded Turntrans-58.5-23177.5-68.7-78.7000114.1L66 E92 F93 P94L66-Y90 HydrophobicContact CB-CE1 4.47Å; L66-Y90 HydrophobicContact CD2-CD1 3.91Å; L66-Y90 HydrophobicContact CD2-CD2 4.31Å; L66-Y90 HydrophobicContact CD2-CE1 3.63Å; L66-Y90 HydrophobicContact CD2-CE2 4.04Å; L66-Y90 HydrophobicContact CD2-CG 4.24Å; Y90-E92 VanDerWaalsContact C-N 3.34Å; Y90-F93 CarbonylContact O-C 3.54Å; Y90-P94 WeakPolarHBondContact O-CA 3.46Å
91T78.3Confident86.8Confident58 Ų5867.5 Ų67.536%0.35633%0.334SS..THydrogen-bonded Turntrans-65.9-35.6177.147.50000112.5V89 Y109V89-T91 PolarHBondContact O-N 3.24Å; V89-T91 VanDerWaalsContact O-N 3.13Å; T91-Y109 PolarHBondContact OG1-OH 3.42Å
92E80.9Confident86.8Confident87 Ų8767.9 Ų67.941%0.40733%0.334SS..THydrogen-bonded Turntrans-92.9-33177.1-170.477.2-15800111.5V89 Y90 P94 Y109 R112V89-E92 PolarHBondContact O-N 3.27Å; V89-E92 VanDerWaalsContact O-N 3.14Å; Y90-E92 VanDerWaalsContact C-N 3.34Å; E92-P94 VanDerWaalsContact O-CD 3.25Å; E92-P94 WeakPolarHBondContact O-CD 3.27Å; E92-Y109 HydrophobicContact CB-CD1 4.13Å; E92-Y109 HydrophobicContact CB-CD2 3.63Å; E92-Y109 HydrophobicContact CB-CE1 4.05Å; E92-Y109 HydrophobicContact CB-CE2 3.58Å; E92-Y109 HydrophobicContact CB-CG 3.92Å; E92-Y109 HydrophobicContact CG-CD2 3.61Å; E92-Y109 HydrophobicContact CG-CE2 3.99Å; E92-Y109 HydrophobicContact CG-CG 4Å; E92-Y109 WeakPolarHBondContact OE2-CD2 3.36Å; E92-Y109 VanDerWaalsContact OE2-CE2 3.27Å; E92-Y109 WeakPolarHBondContact OE2-CE2 3.43Å; E92-R112 IonicContact OE2-CZ 3.68Å; E92-R112 IonicContact OE2-NH2 3.93Å; E92-R112 PolarHBondContact OE2-NH2 3.12Å
93F85.2Confident86.9Confident15 Ų1560.6 Ų60.67%0.06631%0.307CS..  trans-119.968.8-177.8-52.4-72.2000111.4L66 V89 Y90 I95 W96 H101 H105 I106 Y109L66-F93 HydrophobicContact CD1-CB 3.71Å; L66-F93 HydrophobicContact CD1-CG 4.39Å; V89-F93 HydrophobicContact CB-CD2 4.31Å; V89-F93 HydrophobicContact CG2-CD2 4.43Å; V89-F93 PolarHBondContact O-N 3.48Å; Y90-F93 CarbonylContact O-C 3.54Å; F93-I95 VanDerWaalsContact C-N 3.28Å; F93-I95 PolarHBondContact O-N 3.06Å; F93-W96 HydrophobicContact CB-CE3 4.34Å; F93-W96 HydrophobicContact CD1-CE3 4.44Å; F93-W96 HydrophobicContact CD1-CZ3 4.43Å; F93-W96 HydrophobicContact CG-CE3 4.34Å; F93-W96 HydrophobicContact CG-CZ3 4.46Å; F93-H101 AromaticContact CD1-CE1 3.93Å; F93-H101 AromaticContact CD1-ND1 3.75Å; F93-H105 HydrophobicContact CE1-CB 4.2Å; F93-H105 HydrophobicContact CZ-CB 3.89Å; F93-I106 HydrophobicContact CE2-CG1 4.22Å; F93-Y109 HydrophobicContact CE2-CD1 4.48Å; F93-Y109 HydrophobicContact CE2-CG 4.4Å
94P81.6Confident87Confident103 Ų10358 Ų5867%0.66929%0.291SS*.SBendtrans-65.1-34.7178.125.9-34000111.8Y90 E92Y90-P94 WeakPolarHBondContact O-CA 3.46Å; E92-P94 VanDerWaalsContact O-CD 3.25Å; E92-P94 WeakPolarHBondContact O-CD 3.27Å
95I85Confident87.1Confident140 Ų14057.5 Ų57.572%0.71828%0.284SS*.SBendtrans-121.7108.4173.3-55.7174000107.5F93 N97 H101F93-I95 VanDerWaalsContact C-N 3.28Å; F93-I95 PolarHBondContact O-N 3.06Å; I95-N97 PolarHBondContact O-N 2.97Å; I95-H101 PolarHBondContact O-CE1 2.9Å; I95-H101 VanDerWaalsContact O-CE1 3.26Å
96W86.7Confident87.2Confident14 Ų1457.5 Ų57.55%0.05328%0.284CS..  trans-77.1121.6175.9179.2-102.3000110.5S63 L66 P67 F93 H101 I106S63-W96 VanDerWaalsContact O-CD1 3.24Å; S63-W96 PolarHBondContact O-NE1 2.9Å; L66-W96 HydrophobicContact CB-CB 4.15Å; L66-W96 HydrophobicContact CB-CG 4.44Å; L66-W96 HydrophobicContact CD1-CB 4.14Å; L66-W96 HydrophobicContact CD1-CD2 4.08Å; L66-W96 HydrophobicContact CD1-CE3 3.59Å; L66-W96 HydrophobicContact CD1-CG 4.32Å; L66-W96 HydrophobicContact CD1-CZ3 4.32Å; P67-W96 HydrophobicContact CG-CH2 4.39Å; P67-W96 HydrophobicContact CG-CZ2 4.02Å; F93-W96 HydrophobicContact CB-CE3 4.34Å; F93-W96 HydrophobicContact CD1-CE3 4.44Å; F93-W96 HydrophobicContact CD1-CZ3 4.43Å; F93-W96 HydrophobicContact CG-CE3 4.34Å; F93-W96 HydrophobicContact CG-CZ3 4.46Å; W96-H101 HydrophobicContact CD2-CB 4.14Å; W96-H101 HydrophobicContact CE3-CB 3.61Å; W96-H101 AromaticContact CE3-ND1 3.74Å; W96-H101 HydrophobicContact CH2-CB 3.5Å; W96-H101 HydrophobicContact CZ2-CB 4.02Å; W96-H101 HydrophobicContact CZ3-CB 3.29Å; W96-I106 HydrophobicContact CH2-CD1 3.56Å; W96-I106 HydrophobicContact CH2-CG1 3.9Å; W96-I106 HydrophobicContact CZ2-CD1 4.42Å; W96-I106 HydrophobicContact CZ3-CD1 3.62Å; W96-I106 HydrophobicContact CZ3-CG1 3.68Å
97N87.9Confident87.2Confident48 Ų4855.4 Ų55.426%0.25727%0.274SS..  trans-117.5110.7175-177.3-13.4000109.6I95 E99 K100 H101I95-N97 PolarHBondContact O-N 2.97Å; N97-E99 PolarHBondContact O-N 3.22Å; N97-E99 VanDerWaalsContact O-N 3.17Å; N97-E99 WeakPolarHBondContact OD1-CB 3.36Å; N97-E99 PolarHBondContact OD1-N 3.33Å; N97-K100 HydrophobicContact CB-CB 4.42Å; N97-K100 PolarHBondContact O-N 3.01Å; N97-K100 VanDerWaalsContact O-N 3.14Å; N97-H101 PolarHBondContact N-ND1 2.91Å; N97-H101 WeakPolarHBondContact O-CB 3.36Å; N97-H101 PolarHBondContact O-N 3.27Å
98P84.4Confident87.2Confident39 Ų3960 Ų6025%0.25330%0.295SS..THydrogen-bonded Turntrans-65.8-15.1-178.627.3-34.9000114.4P62P62-P98 HydrophobicContact CB-CB 3.98Å
99E85Confident87.3Confident168 Ų16858.8 Ų58.879%0.78529%0.286SS*.THydrogen-bonded Turntrans-82.6-22.2175.9-60.9-174.7162.200113.1N97N97-E99 PolarHBondContact O-N 3.22Å; N97-E99 VanDerWaalsContact O-N 3.17Å; N97-E99 WeakPolarHBondContact OD1-CB 3.36Å; N97-E99 PolarHBondContact OD1-N 3.33Å
100K86.4Confident87.6Confident145 Ų14558.8 Ų58.863%0.6329%0.286SS*.THydrogen-bonded Turntrans-114-35.6-176.1-64.9-174.8-180-178.40112.6N97 H105N97-K100 HydrophobicContact CB-CB 4.42Å; N97-K100 PolarHBondContact O-N 3.01Å; N97-K100 VanDerWaalsContact O-N 3.14Å; K100-H105 PolarHBondContact O-CE1 3.09Å
101H90.9Very high88.1Confident46 Ų4656.1 Ų56.121%0.21328%0.277CS..  trans-99.7142.4-177.1-52158.5000109.7F93 I95 W96 N97F93-H101 AromaticContact CD1-CE1 3.93Å; F93-H101 AromaticContact CD1-ND1 3.75Å; I95-H101 PolarHBondContact O-CE1 2.9Å; I95-H101 VanDerWaalsContact O-CE1 3.26Å; W96-H101 HydrophobicContact CD2-CB 4.14Å; W96-H101 HydrophobicContact CE3-CB 3.61Å; W96-H101 AromaticContact CE3-ND1 3.74Å; W96-H101 HydrophobicContact CH2-CB 3.5Å; W96-H101 HydrophobicContact CZ2-CB 4.02Å; W96-H101 HydrophobicContact CZ3-CB 3.29Å; N97-H101 PolarHBondContact N-ND1 2.91Å; N97-H101 WeakPolarHBondContact O-CB 3.36Å; N97-H101 PolarHBondContact O-N 3.27Å
102H91.8Very high88.7Confident48 Ų4857.6 Ų57.622%0.22228%0.276CS..  trans-135.4161.6-173.7-68.8-65.9000107.8E11 W104 H105E11-H102 IonicContact OE1-CE1 3.21Å; E11-H102 IonicContact OE1-CG 3.71Å; E11-H102 IonicContact OE1-ND1 3.92Å; E11-H102 PolarHBondContact OE1-ND1 3.34Å; E11-H102 WeakPolarHBondContact OE2-CB 3.45Å; E11-H102 IonicContact OE2-ND1 2.8Å; H102-W104 HydrophobicContact CB-CG 4.26Å; H102-W104 AromaticContact CD2-NE1 3.71Å; H102-W104 AromaticContact CG-NE1 3.84Å; H102-W104 PolarHBondContact O-N 3.41Å; H102-H105 AromaticContact CD2-CE1 3.88Å; H102-H105 PolarHBondContact N-ND1 2.92Å; H102-H105 VanDerWaalsContact N-ND1 3.13Å; H102-H105 WeakPolarHBondContact O-CB 3.36Å; H102-H105 PolarHBondContact O-N 3.02Å
103I91.3Very high89Confident0 Ų053.5 Ų53.50%026%0.257CS..Hα-helixtrans-59.8-35.7-177.9-65174.2000110.8E11 L15 W35 L55 L57 F61 H105 I106 L107E11-I103 HydrophobicContact CB-CD1 3.86Å; E11-I103 HydrophobicContact CB-CG1 4.46Å; E11-I103 HydrophobicContact CG-CD1 3.9Å; E11-I103 HydrophobicContact CG-CG1 4.23Å; E11-I103 PolarHBondContact OE2-N 2.94Å; L15-I103 HydrophobicContact CD1-CB 4.4Å; L15-I103 HydrophobicContact CD1-CG2 3.99Å; W35-I103 HydrophobicContact CE3-CD1 4.23Å; W35-I103 HydrophobicContact CE3-CG2 4.29Å; W35-I103 HydrophobicContact CH2-CD1 3.39Å; W35-I103 HydrophobicContact CZ2-CD1 3.9Å; W35-I103 HydrophobicContact CZ3-CB 4.41Å; W35-I103 HydrophobicContact CZ3-CD1 3.54Å; W35-I103 HydrophobicContact CZ3-CG2 3.88Å; L55-I103 HydrophobicContact CD2-CD1 4.4Å; L55-I103 HydrophobicContact CD2-CG1 4.5Å; L55-I103 HydrophobicContact CD2-CG2 3.36Å; L57-I103 HydrophobicContact CD1-CD1 3.98Å; L57-I103 HydrophobicContact CD2-CD1 3.66Å; L57-I103 HydrophobicContact CD2-CG1 4.2Å; L57-I103 HydrophobicContact CG-CD1 4.47Å; F61-I103 HydrophobicContact CZ-CD1 4.34Å; I103-H105 PolarHBondContact O-N 3.32Å; I103-I106 WeakPolarHBondContact O-CB 3.35Å; I103-I106 PolarHBondContact O-N 3.42Å; I103-I106 VanDerWaalsContact O-N 3.09Å; I103-L107 HydrophobicContact CG2-CD1 4.29Å; I103-L107 HydrophobicContact CG2-CG 4.29Å; I103-L107 PolarHBondContact O-N 3.38Å
104W91.2Very high89.3Confident45 Ų4552.9 Ų52.917%0.1725%0.254CS..Hα-helixtrans-61.9-30.5177.277.3-98.5000113.3L15 K18 L20 H102 L107 H108L15-W104 HydrophobicContact CD2-CB 3.42Å; L15-W104 VanDerWaalsContact CD2-CB 3.42Å; L15-W104 HydrophobicContact CG-CB 4.15Å; K18-W104 HydrophobicContact CD-CD2 4.4Å; K18-W104 HydrophobicContact CD-CZ2 4.43Å; K18-W104 HydrophobicContact CG-CB 4.46Å; K18-W104 HydrophobicContact CG-CD2 3.91Å; K18-W104 HydrophobicContact CG-CE3 4.33Å; K18-W104 HydrophobicContact CG-CG 3.96Å; L20-W104 HydrophobicContact CD1-CB 4.28Å; H102-W104 HydrophobicContact CB-CG 4.26Å; H102-W104 AromaticContact CD2-NE1 3.71Å; H102-W104 AromaticContact CG-NE1 3.84Å; H102-W104 PolarHBondContact O-N 3.41Å; W104-L107 PolarHBondContact O-N 3.43Å; W104-H108 HydrophobicContact CE3-CB 4.5Å; W104-H108 VanDerWaalsContact O-CB 3.24Å; W104-H108 WeakPolarHBondContact O-CB 3.25Å; W104-H108 PolarHBondContact O-N 2.96Å
105H92.6Very high89.6Confident52 Ų5249.4 Ų49.424%0.24123%0.231CC..Hα-helixtrans-66.5-41.9174.4-66.9113.8000111F93 K100 H102 I103 H108 Y109F93-H105 HydrophobicContact CE1-CB 4.2Å; F93-H105 HydrophobicContact CZ-CB 3.89Å; K100-H105 PolarHBondContact O-CE1 3.09Å; H102-H105 AromaticContact CD2-CE1 3.88Å; H102-H105 PolarHBondContact N-ND1 2.92Å; H102-H105 VanDerWaalsContact N-ND1 3.13Å; H102-H105 WeakPolarHBondContact O-CB 3.36Å; H102-H105 PolarHBondContact O-N 3.02Å; I103-H105 PolarHBondContact O-N 3.32Å; H105-H108 PolarHBondContact O-N 3.19Å; H105-Y109 WeakPolarHBondContact O-CB 3.33Å; H105-Y109 PolarHBondContact O-N 3.21Å
106I92.7Very high89.5Confident0 Ų045.2 Ų45.20%021%0.214CC..Hα-helixtrans-61.3-48.5175.6-58.9176.4000109.9P67 V89 F93 W96 I103 H108 Y109 F110P67-I106 HydrophobicContact CB-CD1 3.73Å; P67-I106 HydrophobicContact CG-CD1 3.65Å; V89-I106 HydrophobicContact CG1-CG2 4.42Å; F93-I106 HydrophobicContact CE2-CG1 4.22Å; W96-I106 HydrophobicContact CH2-CD1 3.56Å; W96-I106 HydrophobicContact CH2-CG1 3.9Å; W96-I106 HydrophobicContact CZ2-CD1 4.42Å; W96-I106 HydrophobicContact CZ3-CD1 3.62Å; W96-I106 HydrophobicContact CZ3-CG1 3.68Å; I103-I106 WeakPolarHBondContact O-CB 3.35Å; I103-I106 PolarHBondContact O-N 3.42Å; I103-I106 VanDerWaalsContact O-N 3.09Å; I106-H108 VanDerWaalsContact C-N 3.33Å; I106-H108 PolarHBondContact O-N 2.7Å; I106-Y109 PolarHBondContact O-N 2.8Å; I106-F110 VanDerWaalsContact O-CB 3.3Å; I106-F110 WeakPolarHBondContact O-CB 3.5Å; I106-F110 PolarHBondContact O-N 2.89Å
107L93Very high88.9Confident1 Ų144.6 Ų44.61%0.00521%0.212CC..Hα-helixtrans-65.9-35.9-179.7-64.2-176.9000112.6L15 L20 V23 V25 F53 I103 W104 F110 K111L15-L107 HydrophobicContact CD1-CD1 4.36Å; L15-L107 HydrophobicContact CD2-CD1 3.57Å; L20-L107 HydrophobicContact CD1-CB 3.61Å; L20-L107 HydrophobicContact CD1-CD1 4.33Å; V23-L107 HydrophobicContact CG1-CD1 4.18Å; V25-L107 HydrophobicContact CG2-CD1 3.64Å; V25-L107 HydrophobicContact CG2-CD2 4.43Å; F53-L107 HydrophobicContact CE2-CD2 3.62Å; F53-L107 HydrophobicContact CZ-CD2 3.74Å; I103-L107 HydrophobicContact CG2-CD1 4.29Å; I103-L107 HydrophobicContact CG2-CG 4.29Å; I103-L107 PolarHBondContact O-N 3.38Å; W104-L107 PolarHBondContact O-N 3.43Å; L107-F110 PolarHBondContact O-N 3.48Å; L107-K111 WeakPolarHBondContact O-CB 3.36Å; L107-K111 PolarHBondContact O-N 3.23Å
108H91.7Very high88.3Confident100 Ų10045.2 Ų45.246%0.46322%0.217SC..Hα-helixtrans-64.2-46.7174.2-179.1-95.7000111.5L20 W104 H105 I106 F110 K111 R112L20-H108 HydrophobicContact CD2-CB 4.23Å; W104-H108 HydrophobicContact CE3-CB 4.5Å; W104-H108 VanDerWaalsContact O-CB 3.24Å; W104-H108 WeakPolarHBondContact O-CB 3.25Å; W104-H108 PolarHBondContact O-N 2.96Å; H105-H108 PolarHBondContact O-N 3.19Å; I106-H108 VanDerWaalsContact C-N 3.33Å; I106-H108 PolarHBondContact O-N 2.7Å; H108-F110 VanDerWaalsContact C-N 3.35Å; H108-K111 PolarHBondContact O-N 3.24Å; H108-R112 PolarHBondContact O-N 2.69Å; H108-R112 VanDerWaalsContact O-N 3.09Å
109Y90.7Very high87.7Confident5 Ų546.7 Ų46.72%0.0223%0.228CC..Hα-helixtrans-61.9-43.2174.8176.6-106.7000111.7V89 T91 E92 F93 H105 I106 K111 R112 L113 I120V89-Y109 HydrophobicContact CB-CD1 4.08Å; V89-Y109 HydrophobicContact CB-CE1 4.08Å; V89-Y109 HydrophobicContact CG1-CD1 3.92Å; V89-Y109 HydrophobicContact CG1-CE1 4.06Å; T91-Y109 PolarHBondContact OG1-OH 3.42Å; E92-Y109 HydrophobicContact CB-CD1 4.13Å; E92-Y109 HydrophobicContact CB-CD2 3.63Å; E92-Y109 HydrophobicContact CB-CE1 4.05Å; E92-Y109 HydrophobicContact CB-CE2 3.58Å; E92-Y109 HydrophobicContact CB-CG 3.92Å; E92-Y109 HydrophobicContact CG-CD2 3.61Å; E92-Y109 HydrophobicContact CG-CE2 3.99Å; E92-Y109 HydrophobicContact CG-CG 4Å; E92-Y109 WeakPolarHBondContact OE2-CD2 3.36Å; E92-Y109 VanDerWaalsContact OE2-CE2 3.27Å; E92-Y109 WeakPolarHBondContact OE2-CE2 3.43Å; F93-Y109 HydrophobicContact CE2-CD1 4.48Å; F93-Y109 HydrophobicContact CE2-CG 4.4Å; H105-Y109 WeakPolarHBondContact O-CB 3.33Å; H105-Y109 PolarHBondContact O-N 3.21Å; I106-Y109 PolarHBondContact O-N 2.8Å; Y109-K111 VanDerWaalsContact C-N 3.34Å; Y109-K111 PolarHBondContact O-N 3.07Å; Y109-R112 CarbonylContact O-C 2.92Å; Y109-R112 WeakPolarHBondContact O-CA 3.24Å; Y109-R112 WeakPolarHBondContact O-CB 3.46Å; Y109-R112 PolarHBondContact O-N 2.56Å; Y109-L113 HydrophobicContact CD1-CD1 3.79Å; Y109-L113 HydrophobicContact CD1-CG 4.24Å; Y109-L113 HydrophobicContact CE1-CD1 3.31Å; Y109-L113 HydrophobicContact CE1-CD2 4.19Å; Y109-L113 HydrophobicContact CE1-CG 3.73Å; Y109-L113 HydrophobicContact CE2-CG 4.43Å; Y109-L113 PolarHBondContact O-N 3.04Å; Y109-I120 HydrophobicContact CE2-CD1 3.94Å; Y109-I120 HydrophobicContact CE2-CG1 4.38Å; Y109-I120 HydrophobicContact CE2-CG2 4.36Å; Y109-I120 WeakPolarHBondContact OH-CG2 3.38Å
110F92.1Very high87.1Confident1 Ų138.9 Ų38.90%0.00419%0.192CC..Hα-helixtrans-59.5-42.7176.3177.1-129.9000112.8I39 F53 L69 L71 V87 I106 L107 H108 R112 L113 L114I39-F110 HydrophobicContact CB-CE1 4.31Å; I39-F110 HydrophobicContact CD1-CD1 3.87Å; I39-F110 HydrophobicContact CD1-CE1 3.96Å; I39-F110 HydrophobicContact CG2-CE1 3.84Å; I39-F110 HydrophobicContact CG2-CZ 4.25Å; F53-F110 HydrophobicContact CB-CE1 4.18Å; F53-F110 HydrophobicContact CB-CZ 4.31Å; F53-F110 AromaticContact CD1-CE1 3.75Å; F53-F110 HydrophobicContact CD1-CE1 3.75Å; F53-F110 HydrophobicContact CD2-CE1 4.48Å; F53-F110 HydrophobicContact CE1-CE1 4.14Å; F53-F110 AromaticContact CG-CE1 3.9Å; F53-F110 HydrophobicContact CG-CE1 3.9Å; L69-F110 HydrophobicContact CD2-CB 3.73Å; L69-F110 HydrophobicContact CD2-CD1 3.64Å; L69-F110 HydrophobicContact CD2-CD2 3.24Å; L69-F110 HydrophobicContact CD2-CE1 3.94Å; L69-F110 HydrophobicContact CD2-CE2 3.58Å; L69-F110 HydrophobicContact CD2-CG 3.25Å; L69-F110 HydrophobicContact CD2-CZ 3.9Å; L71-F110 HydrophobicContact CD1-CE2 3.8Å; L71-F110 HydrophobicContact CD1-CZ 3.94Å; L71-F110 HydrophobicContact CD2-CZ 3.82Å; L71-F110 HydrophobicContact CG-CE2 4.1Å; L71-F110 HydrophobicContact CG-CZ 3.83Å; V87-F110 HydrophobicContact CG1-CD2 4.15Å; V87-F110 HydrophobicContact CG1-CE2 4.31Å; V87-F110 HydrophobicContact CG2-CE2 4.04Å; I106-F110 VanDerWaalsContact O-CB 3.3Å; I106-F110 WeakPolarHBondContact O-CB 3.5Å; I106-F110 PolarHBondContact O-N 2.89Å; L107-F110 PolarHBondContact O-N 3.48Å; H108-F110 VanDerWaalsContact C-N 3.35Å; F110-R112 VanDerWaalsContact C-N 3.29Å; F110-R112 PolarHBondContact O-N 3.22Å; F110-L113 WeakPolarHBondContact O-CB 3.05Å; F110-L113 PolarHBondContact O-N 3.38Å; F110-L114 HydrophobicContact CE1-CD1 4.34Å; F110-L114 HydrophobicContact CE2-CD1 4.05Å; F110-L114 HydrophobicContact CE2-CD2 4.5Å; F110-L114 HydrophobicContact CE2-CG 4.16Å; F110-L114 HydrophobicContact CZ-CD1 3.86Å; F110-L114 HydrophobicContact CZ-CG 4.47Å; F110-L114 PolarHBondContact O-N 2.92Å
111K91.6Very high86.2Confident64 Ų6432.6 Ų32.628%0.27817%0.165SC..Hα-helixtrans-60.6-40.2172.8-178.2179174.9-179.30112S21 V23 I39 L107 H108 Y109 L114 T115S21-K111 PolarHBondContact O-NZ 3.21Å; V23-K111 HydrophobicContact CG2-CD 4.34Å; I39-K111 HydrophobicContact CD1-CB 3.9Å; I39-K111 HydrophobicContact CD1-CG 4.25Å; L107-K111 WeakPolarHBondContact O-CB 3.36Å; L107-K111 PolarHBondContact O-N 3.23Å; H108-K111 PolarHBondContact O-N 3.24Å; Y109-K111 VanDerWaalsContact C-N 3.34Å; Y109-K111 PolarHBondContact O-N 3.07Å; K111-L114 PolarHBondContact O-N 3.46Å; K111-T115 VanDerWaalsContact O-CB 3.32Å; K111-T115 WeakPolarHBondContact O-CB 3.29Å; K111-T115 PolarHBondContact O-N 3.07Å; K111-T115 PolarHBondContact O-OG1 3.3Å
112R89.6Confident85.1Confident89 Ų8934.7 Ų34.734%0.33618%0.181SC..Hα-helixtrans-64.4-39.6176.3-163.4176.174.7-178.1-2.9111.7E92 H108 Y109 F110 L114 T115 S116 I120E92-R112 IonicContact OE2-CZ 3.68Å; E92-R112 IonicContact OE2-NH2 3.93Å; E92-R112 PolarHBondContact OE2-NH2 3.12Å; H108-R112 PolarHBondContact O-N 2.69Å; H108-R112 VanDerWaalsContact O-N 3.09Å; Y109-R112 CarbonylContact O-C 2.92Å; Y109-R112 WeakPolarHBondContact O-CA 3.24Å; Y109-R112 WeakPolarHBondContact O-CB 3.46Å; Y109-R112 PolarHBondContact O-N 2.56Å; F110-R112 VanDerWaalsContact C-N 3.29Å; F110-R112 PolarHBondContact O-N 3.22Å; R112-L114 PolarHBondContact O-N 3.32Å; R112-T115 PolarHBondContact O-N 3.01Å; R112-S116 PolarHBondContact O-N 2.95Å; R112-I120 HydrophobicContact CB-CD1 4.32Å; R112-I120 HydrophobicContact CG-CD1 4.17Å
113L88.7Confident83.8Confident1 Ų134.4 Ų34.41%0.00519%0.185CC..Hα-helixtrans-54.4-52.5174.9-79.1168.8000111.9H77 H79 V87 Y109 F110 T115 I120H77-L113 PolarHBondContact NE2-O 3.06Å; H79-L113 HydrophobicContact CB-CD2 3.94Å; H79-L113 VanDerWaalsContact CD2-CD2 3.46Å; H79-L113 WeakPolarHBondContact CD2-CD2 3.25Å; V87-L113 HydrophobicContact CG1-CD1 3.86Å; Y109-L113 HydrophobicContact CD1-CD1 3.79Å; Y109-L113 HydrophobicContact CD1-CG 4.24Å; Y109-L113 HydrophobicContact CE1-CD1 3.31Å; Y109-L113 HydrophobicContact CE1-CD2 4.19Å; Y109-L113 HydrophobicContact CE1-CG 3.73Å; Y109-L113 HydrophobicContact CE2-CG 4.43Å; Y109-L113 PolarHBondContact O-N 3.04Å; F110-L113 WeakPolarHBondContact O-CB 3.05Å; F110-L113 PolarHBondContact O-N 3.38Å; L113-T115 VanDerWaalsContact C-N 3.33Å; L113-T115 PolarHBondContact O-N 3.01Å; L113-I120 HydrophobicContact CB-CD1 4.19Å; L113-I120 HydrophobicContact CD2-CD1 3.44Å; L113-I120 VanDerWaalsContact CD2-CD1 3.44Å; L113-I120 HydrophobicContact CD2-CG2 4.16Å; L113-I120 HydrophobicContact CG-CD1 3.68Å
114L89.9Confident82.5Confident1 Ų134.9 Ų34.91%0.00519%0.188CC..Hα-helixtrans-72-27.6-179.2-62.1-177000113.3I39 V41 Y46 F51 L71 F75 F110 K111 R112I39-L114 HydrophobicContact CD1-CD1 4.08Å; I39-L114 HydrophobicContact CG1-CD1 4.39Å; I39-L114 HydrophobicContact CG2-CD1 3.73Å; V41-L114 HydrophobicContact CG2-CB 3.83Å; V41-L114 HydrophobicContact CG2-CD1 3.85Å; V41-L114 HydrophobicContact CG2-CG 4.49Å; Y46-L114 WeakPolarHBondContact CD2-O 3.44Å; F51-L114 HydrophobicContact CD2-CD1 4.45Å; L71-L114 HydrophobicContact CD1-CD2 4.32Å; F75-L114 HydrophobicContact CE1-CD2 3.82Å; F75-L114 HydrophobicContact CZ-CD2 3.81Å; F110-L114 HydrophobicContact CE1-CD1 4.34Å; F110-L114 HydrophobicContact CE2-CD1 4.05Å; F110-L114 HydrophobicContact CE2-CD2 4.5Å; F110-L114 HydrophobicContact CE2-CG 4.16Å; F110-L114 HydrophobicContact CZ-CD1 3.86Å; F110-L114 HydrophobicContact CZ-CG 4.47Å; F110-L114 PolarHBondContact O-N 2.92Å; K111-L114 PolarHBondContact O-N 3.46Å; R112-L114 PolarHBondContact O-N 3.32Å
115T88.1Confident81.3Confident30 Ų3036.7 Ų36.718%0.18420%0.201CC..Hα-helixtrans-79.7-39.4-177.8-59.80000112.7S43 G44 K111 R112 L113S43-T115 WeakPolarHBondContact OG-CG2 3.39Å; G44-T115 WeakPolarHBondContact CA-O 3.34Å; K111-T115 VanDerWaalsContact O-CB 3.32Å; K111-T115 WeakPolarHBondContact O-CB 3.29Å; K111-T115 PolarHBondContact O-N 3.07Å; K111-T115 PolarHBondContact O-OG1 3.3Å; R112-T115 PolarHBondContact O-N 3.01Å; L113-T115 VanDerWaalsContact C-N 3.33Å; L113-T115 PolarHBondContact O-N 3.01Å
116S83.8Confident79.7Confident53 Ų5336.9 Ų36.937%0.37121%0.212SC..  trans-151.275-172.9-65.50000111R112 T118 S119R112-S116 PolarHBondContact O-N 2.95Å; S116-T118 PolarHBondContact O-N 3.09Å; S116-S119 PolarHBondContact O-N 3.41Å
117P74.5Confident78.1Confident0 Ų043.2 Ų43.20%024%0.241CC..Hα-helixtrans-60.4-34.3-178.722.7-32.8000112.4Y45 S119 I120 M121 L149Y45-P117 HydrophobicContact CD2-CG 3.71Å; Y45-P117 HydrophobicContact CE2-CG 4.04Å; P117-S119 PolarHBondContact O-N 2.93Å; P117-I120 PolarHBondContact O-N 3.42Å; P117-M121 PolarHBondContact O-N 3.28Å; P117-L149 HydrophobicContact CB-CD2 3.83Å; P117-L149 HydrophobicContact CG-CD2 4Å
118T75.3Confident76.1Confident62 Ų6245 Ų4538%0.3825%0.249SC..Hα-helixtrans-62.3-39.5179.2-39.90000112.7S116 I120 M121 V122S116-T118 PolarHBondContact O-N 3.09Å; T118-I120 VanDerWaalsContact C-N 3.31Å; T118-I120 PolarHBondContact O-N 3.34Å; T118-M121 PolarHBondContact O-N 2.82Å; T118-V122 WeakPolarHBondContact O-CG2 3.48Å; T118-V122 PolarHBondContact O-N 2.93Å
119S71.6Confident74.4Confident69 Ų6943.9 Ų43.948%0.48325%0.25SC..Hα-helixtrans-62.4-40.4-178.2-178.50000111.6S116 P117 V122 S123S116-S119 PolarHBondContact O-N 3.41Å; P117-S119 PolarHBondContact O-N 2.93Å; S119-V122 PolarHBondContact O-N 2.81Å; S119-S123 PolarHBondContact O-N 2.88Å; S119-S123 PolarHBondContact O-OG 2.89Å
120I71.4Confident72.7Confident4 Ų447.7 Ų47.72%0.02128%0.282CS..Hα-helixtrans-71.9-37.1-179.9-67.3167.1000111.3Y109 R112 L113 P117 T118 S123 A124Y109-I120 HydrophobicContact CE2-CD1 3.94Å; Y109-I120 HydrophobicContact CE2-CG1 4.38Å; Y109-I120 HydrophobicContact CE2-CG2 4.36Å; Y109-I120 WeakPolarHBondContact OH-CG2 3.38Å; R112-I120 HydrophobicContact CB-CD1 4.32Å; R112-I120 HydrophobicContact CG-CD1 4.17Å; L113-I120 HydrophobicContact CB-CD1 4.19Å; L113-I120 HydrophobicContact CD2-CD1 3.44Å; L113-I120 VanDerWaalsContact CD2-CD1 3.44Å; L113-I120 HydrophobicContact CD2-CG2 4.16Å; L113-I120 HydrophobicContact CG-CD1 3.68Å; P117-I120 PolarHBondContact O-N 3.42Å; T118-I120 VanDerWaalsContact C-N 3.31Å; T118-I120 PolarHBondContact O-N 3.34Å; I120-S123 WeakPolarHBondContact CA-OG 3.23Å; I120-S123 PolarHBondContact O-OG 3.45Å; I120-A124 WeakPolarHBondContact O-CB 3.34Å; I120-A124 PolarHBondContact O-N 3.12Å
121M67.7Low70.6Confident13 Ų1350.9 Ų50.96%0.06430%0.304CS..Hα-helixtrans-65.4-41.4173.4-76.5-145.9-80.400112.1P78 P117 T118 A124 L125 Y140 A146 L149 I150P78-M121 HydrophobicContact CG-CE 4.4Å; P117-M121 PolarHBondContact O-N 3.28Å; T118-M121 PolarHBondContact O-N 2.82Å; M121-A124 PolarHBondContact O-N 2.76Å; M121-L125 VanDerWaalsContact O-CB 3.28Å; M121-L125 WeakPolarHBondContact O-CB 3.45Å; M121-L125 PolarHBondContact O-N 2.87Å; M121-Y140 HydrophobicContact CG-CE1 3.86Å; M121-Y140 HydrophobicContact SD-CE1 3.65Å; M121-Y140 HydrophobicContact SD-CE2 4.28Å; M121-Y140 VanDerWaalsContact SD-CZ 3.5Å; M121-Y140 PolarHBondContact SD-OH 3.4Å; M121-Y140 VanDerWaalsContact SD-OH 3.32Å; M121-A146 HydrophobicContact SD-CB 4.24Å; M121-L149 HydrophobicContact CE-CB 3.69Å; M121-L149 HydrophobicContact CE-CD2 3.22Å; M121-L149 HydrophobicContact CE-CG 3.76Å; M121-I150 HydrophobicContact CE-CD1 4.44Å; M121-I150 HydrophobicContact CE-CG1 4.04Å; M121-I150 HydrophobicContact SD-CD1 4.42Å
122V68.1Low68.7Low91 Ų9155.2 Ų55.255%0.55233%0.329SS*.Hα-helixtrans-66.2-44.2178.1173.30000111T118 S119 L125 A126T118-V122 WeakPolarHBondContact O-CG2 3.48Å; T118-V122 PolarHBondContact O-N 2.93Å; S119-V122 PolarHBondContact O-N 2.81Å; V122-L125 PolarHBondContact O-N 3.43Å; V122-A126 VanDerWaalsContact O-CB 3.28Å; V122-A126 WeakPolarHBondContact O-CB 3.24Å; V122-A126 PolarHBondContact O-N 2.95Å
123S65.5Low66.7Low42 Ų4260.2 Ų60.229%0.29435%0.353SS..Hα-helixtrans-63.1-44.117764.20000111.4S119 I120 L125 A126 E127S119-S123 PolarHBondContact O-N 2.88Å; S119-S123 PolarHBondContact O-OG 2.89Å; I120-S123 WeakPolarHBondContact CA-OG 3.23Å; I120-S123 PolarHBondContact O-OG 3.45Å; S123-L125 VanDerWaalsContact C-N 3.33Å; S123-L125 PolarHBondContact O-N 3.13Å; S123-A126 PolarHBondContact O-N 3.02Å; S123-E127 WeakPolarHBondContact O-CB 3.37Å; S123-E127 WeakPolarHBondContact O-CG 3.06Å; S123-E127 PolarHBondContact O-N 2.81Å
124A63.4Low64.8Low9 Ų964.7 Ų64.77%0.07438%0.376CS..Hα-helixtrans-62.3-40.2177.200000112I120 M121 Q128 M138I120-A124 WeakPolarHBondContact O-CB 3.34Å; I120-A124 PolarHBondContact O-N 3.12Å; M121-A124 PolarHBondContact O-N 2.76Å; A124-Q128 VanDerWaalsContact O-CB 3.31Å; A124-Q128 WeakPolarHBondContact O-CB 3.32Å; A124-Q128 VanDerWaalsContact O-CD 3.23Å; A124-Q128 WeakPolarHBondContact O-CG 3.46Å; A124-Q128 PolarHBondContact O-N 3.34Å; A124-Q128 PolarHBondContact O-NE2 2.85Å; A124-M138 HydrophobicContact CB-CE 3.91Å; A124-M138 HydrophobicContact CB-SD 3.72Å
125L64.5Low62.5Low83 Ų8370.2 Ų70.244%0.43540%0.404SS..Hα-helixtrans-71-37.9177.4-172.662.7000112.7M121 V122 S123 Q128 T129 M135M121-L125 VanDerWaalsContact O-CB 3.28Å; M121-L125 WeakPolarHBondContact O-CB 3.45Å; M121-L125 PolarHBondContact O-N 2.87Å; V122-L125 PolarHBondContact O-N 3.43Å; S123-L125 VanDerWaalsContact C-N 3.33Å; S123-L125 PolarHBondContact O-N 3.13Å; L125-Q128 PolarHBondContact O-N 3.48Å; L125-T129 PolarHBondContact O-N 3.46Å; L125-T129 PolarHBondContact O-OG1 3.29Å; L125-M135 HydrophobicContact CD1-CE 4.24Å
126A59.3Low60.5Low57 Ų5778.3 Ų78.347%0.47144%0.436SS..Hα-helixtrans-67.7-43.5178.500000112.1V122 S123 Q128 T129V122-A126 VanDerWaalsContact O-CB 3.28Å; V122-A126 WeakPolarHBondContact O-CB 3.24Å; V122-A126 PolarHBondContact O-N 2.95Å; S123-A126 PolarHBondContact O-N 3.02Å; A126-Q128 PolarHBondContact O-N 3.26Å; A126-T129 WeakPolarHBondContact CA-OG1 3.45Å; A126-T129 PolarHBondContact O-OG1 2.83Å; A126-T129 VanDerWaalsContact O-OG1 3.09Å
127E58.9Low59.1Low132 Ų13282.1 Ų82.162%0.61745%0.453SS*.Hα-helixtrans-63.8-33.1175.1-71.9171.8-16700111.7S123S123-E127 WeakPolarHBondContact O-CB 3.37Å; S123-E127 WeakPolarHBondContact O-CG 3.06Å; S123-E127 PolarHBondContact O-N 2.81Å
128Q52.5Low58.3Low39 Ų3984.2 Ų84.218%0.18246%0.463CS..Hα-helixtrans-83.9-30.3-178.4-72.3171.433.800114.1A124 L125 A126 A130 C131 M138A124-Q128 VanDerWaalsContact O-CB 3.31Å; A124-Q128 WeakPolarHBondContact O-CB 3.32Å; A124-Q128 VanDerWaalsContact O-CD 3.23Å; A124-Q128 WeakPolarHBondContact O-CG 3.46Å; A124-Q128 PolarHBondContact O-N 3.34Å; A124-Q128 PolarHBondContact O-NE2 2.85Å; L125-Q128 PolarHBondContact O-N 3.48Å; A126-Q128 PolarHBondContact O-N 3.26Å; Q128-A130 PolarHBondContact O-N 3.18Å; Q128-C131 CarbonylContact O-C 3.59Å; Q128-C131 WeakPolarHBondContact O-CA 3.33Å; Q128-C131 PolarHBondContact O-N 3.38Å; Q128-M138 PolarHBondContact NE2-SD 3.07Å
129T54.9Low58.1Low77 Ų7790.7 Ų90.747%0.47249%0.486SS..Hα-helixtrans-64.8-28.5172.7320000111.8L125 A126 C131 M135L125-T129 PolarHBondContact O-N 3.46Å; L125-T129 PolarHBondContact O-OG1 3.29Å; A126-T129 WeakPolarHBondContact CA-OG1 3.45Å; A126-T129 PolarHBondContact O-OG1 2.83Å; A126-T129 VanDerWaalsContact O-OG1 3.09Å; T129-C131 PolarHBondContact O-N 2.8Å; T129-M135 HydrophobicContact CG2-CE 4.34Å
130A54.4Low58.6Low85 Ų8589.4 Ų89.470%0.70247%0.471SS*.THydrogen-bonded Turntrans-67.4-24.2168.500000113Q128Q128-A130 PolarHBondContact O-N 3.18Å
131C49.1Very low59.3Low67 Ų6790.6 Ų90.645%0.45348%0.481SS..SBendtrans-116.673-178.9-59.90000110.6Q128 T129 K133 N134Q128-C131 CarbonylContact O-C 3.59Å; Q128-C131 WeakPolarHBondContact O-CA 3.33Å; Q128-C131 PolarHBondContact O-N 3.38Å; T129-C131 PolarHBondContact O-N 2.8Å; C131-K133 PolarHBondContact O-N 3.02Å; C131-N134 PolarHBondContact O-N 3.39Å
132I51.1Low60.4Low156 Ų15690.2 Ų90.280%0.848%0.479SS*.THydrogen-bonded Turntrans-43.7-17.5-176.8-66.5171.4000115.5
133K48.7Very low61.2Low193 Ų19390.2 Ų90.284%0.83948%0.481SS*.THydrogen-bonded Turntrans-81.3-24.7177.7-69.3-175.3176.3-178.90115.5C131C131-K133 PolarHBondContact O-N 3.02Å
134N48.3Very low62.3Low95 Ų9593.2 Ų93.251%0.50849%0.49SS..SBendtrans-99.4-3.9-169.3-68.3-5.5000114.5C131 K136 D137C131-N134 PolarHBondContact O-N 3.39Å; N134-K136 PolarHBondContact O-N 2.71Å; N134-D137 PolarHBondContact O-N 3.24Å
135M40.8Very low63.5Low117 Ų11792.8 Ų92.858%0.57649%0.487SS*.THydrogen-bonded Turntrans-60.7-22.2-175-158.6178-168.900113.7L125 T129L125-M135 HydrophobicContact CD1-CE 4.24Å; T129-M135 HydrophobicContact CG2-CE 4.34Å
136K47Very low64.6Low200 Ų20089 Ų8987%0.8747%0.467SS*.THydrogen-bonded Turntrans-83.1-18.2-178-91.7-174.4174.7-178.30115.2N134N134-K136 PolarHBondContact O-N 2.71Å
137D53.3Low65.9Low134 Ų13490.5 Ų90.572%0.71747%0.467SS*.  trans-111.49.4-167.2-67.5-28.7000114.1N134 K139N134-D137 PolarHBondContact O-N 3.24Å; D137-K139 PolarHBondContact O-N 3.25Å
138M58.7Low67.2Low43 Ų4384.5 Ų84.521%0.21244%0.44CS..  trans-72.782.6175.6-170.7147.46300110.7A124 Q128 Y140A124-M138 HydrophobicContact CB-CE 3.91Å; A124-M138 HydrophobicContact CB-SD 3.72Å; Q128-M138 PolarHBondContact NE2-SD 3.07Å; M138-Y140 VanDerWaalsContact CE-OH 3.29Å; M138-Y140 WeakPolarHBondContact CE-OH 3.24Å; M138-Y140 HydrophobicContact CG-CE1 4.47Å; M138-Y140 HydrophobicContact CG-CE2 4.29Å; M138-Y140 PolarHBondContact O-N 2.76Å
139K71.7Confident68.8Low199 Ų19983.2 Ų83.287%0.86544%0.435SS*.  trans-81.795.3176.9-171.6179.6-179.1-176.50109.2D137D137-K139 PolarHBondContact O-N 3.25Å
140Y82.2Confident70.2Confident42 Ų4284.5 Ų84.517%0.16544%0.438CS..  trans-59142.5165.4-65.9-72.9000110P78 H79 M121 M138 N142 A146P78-Y140 HydrophobicContact CB-CD1 4.33Å; H79-Y140 AromaticContact CE1-CE1 3.98Å; M121-Y140 HydrophobicContact CG-CE1 3.86Å; M121-Y140 HydrophobicContact SD-CE1 3.65Å; M121-Y140 HydrophobicContact SD-CE2 4.28Å; M121-Y140 VanDerWaalsContact SD-CZ 3.5Å; M121-Y140 PolarHBondContact SD-OH 3.4Å; M121-Y140 VanDerWaalsContact SD-OH 3.32Å; M138-Y140 VanDerWaalsContact CE-OH 3.29Å; M138-Y140 WeakPolarHBondContact CE-OH 3.24Å; M138-Y140 HydrophobicContact CG-CE1 4.47Å; M138-Y140 HydrophobicContact CG-CE2 4.29Å; M138-Y140 PolarHBondContact O-N 2.76Å; Y140-N142 PolarHBondContact O-N 3.27Å; Y140-A146 HydrophobicContact CD1-CB 4.19Å; Y140-A146 HydrophobicContact CD2-CB 3.57Å; Y140-A146 HydrophobicContact CE2-CB 4.01Å; Y140-A146 HydrophobicContact CG-CB 3.66Å
141A85.4Confident71.7Confident28 Ų2886.1 Ų86.123%0.23143%0.431CS..SBendtrans-61.3-37.4176.600000111P78 D81P78-A141 PolarHBondContact O-N 3.01Å; D81-A141 HydrophobicContact CB-CB 4.26Å
142N89.5Confident73.6Confident6 Ų688 Ų883%0.03243%0.432CS..  trans-124.596.5171.3-174.9-14.1000110.1H77 P78 V80 Y140 E144 A145 A146H77-N142 WeakPolarHBondContact O-CB 3.39Å; P78-N142 PolarHBondContact O-N 3.38Å; V80-N142 VanDerWaalsContact O-CB 3.24Å; V80-N142 WeakPolarHBondContact O-CB 3.25Å; Y140-N142 PolarHBondContact O-N 3.27Å; N142-E144 VanDerWaalsContact C-N 3.26Å; N142-E144 PolarHBondContact O-N 3.08Å; N142-E144 WeakPolarHBondContact OD1-CB 3.48Å; N142-E144 PolarHBondContact OD1-N 2.7Å; N142-E144 VanDerWaalsContact OD1-N 3.08Å; N142-A145 HydrophobicContact CB-CB 4.09Å; N142-A145 PolarHBondContact O-N 3.14Å; N142-A145 PolarHBondContact OD1-N 3.13Å; N142-A145 VanDerWaalsContact OD1-N 3.09Å; N142-A146 PolarHBondContact O-N 3.43Å
143P86.3Confident75.3Confident90 Ų9083.4 Ų83.458%0.58441%0.413SS*.Hα-helixtrans-67.7-26.9179.227.7-34.2000112.5A146 N147P143-A146 PolarHBondContact O-N 3.07Å; P143-N147 VanDerWaalsContact O-CB 3.29Å; P143-N147 WeakPolarHBondContact O-CB 3.46Å; P143-N147 PolarHBondContact O-N 3.1Å
144E88.1Confident77.3Confident105 Ų10581.9 Ų81.949%0.49141%0.409SS..Hα-helixtrans-64.5-46.9176.8-171.9-168.7168.800110.6N142 N147 A148 R159N142-E144 VanDerWaalsContact C-N 3.26Å; N142-E144 PolarHBondContact O-N 3.08Å; N142-E144 WeakPolarHBondContact OD1-CB 3.48Å; N142-E144 PolarHBondContact OD1-N 2.7Å; N142-E144 VanDerWaalsContact OD1-N 3.08Å; E144-N147 PolarHBondContact O-N 2.8Å; E144-A148 WeakPolarHBondContact O-CB 3.33Å; E144-A148 PolarHBondContact O-N 3.23Å; E144-R159 IonicContact OE1-CZ 3.29Å; E144-R159 IonicContact OE1-NH1 3.24Å; E144-R159 PolarHBondContact OE1-NH1 3.36Å; E144-R159 IonicContact OE1-NH2 2.7Å; E144-R159 PolarHBondContact OE1-NH2 2.87Å
145A88.9Confident79.3Confident0 Ų081.3 Ų81.30%040%0.403CS..Hα-helixtrans-65-38.2176.800000112.4Y76 P78 N142 L149 F156Y76-A145 HydrophobicContact CD1-CB 4.34Å; Y76-A145 HydrophobicContact CD2-CB 4.27Å; Y76-A145 HydrophobicContact CE1-CB 3.99Å; Y76-A145 HydrophobicContact CE2-CB 3.9Å; Y76-A145 HydrophobicContact CG-CB 4.48Å; Y76-A145 WeakPolarHBondContact OH-CA 3.41Å; P78-A145 HydrophobicContact CG-CB 4.29Å; N142-A145 HydrophobicContact CB-CB 4.09Å; N142-A145 PolarHBondContact O-N 3.14Å; N142-A145 PolarHBondContact OD1-N 3.13Å; N142-A145 VanDerWaalsContact OD1-N 3.09Å; A145-L149 WeakPolarHBondContact O-CB 3.3Å; A145-L149 PolarHBondContact O-N 3.18Å; A145-F156 HydrophobicContact CB-CE2 4.22Å
146A87Confident81.7Confident3 Ų375.7 Ų75.73%0.02538%0.375CS..Hα-helixtrans-62.8-45.4174.500000111.7P78 M121 Y140 N142 P143 L149 I150P78-A146 HydrophobicContact CB-CB 4.02Å; M121-A146 HydrophobicContact SD-CB 4.24Å; Y140-A146 HydrophobicContact CD1-CB 4.19Å; Y140-A146 HydrophobicContact CD2-CB 3.57Å; Y140-A146 HydrophobicContact CE2-CB 4.01Å; Y140-A146 HydrophobicContact CG-CB 3.66Å; N142-A146 PolarHBondContact O-N 3.43Å; P143-A146 PolarHBondContact O-N 3.07Å; A146-L149 PolarHBondContact O-N 3.48Å; A146-I150 WeakPolarHBondContact O-CG1 3.46Å; A146-I150 PolarHBondContact O-N 3.2Å
147N86.7Confident83.7Confident89 Ų8968.2 Ų68.248%0.47635%0.345SS..Hα-helixtrans-64.2-43.2178.6-164.450.7000111.8P143 E144 I150 H151P143-N147 VanDerWaalsContact O-CB 3.29Å; P143-N147 WeakPolarHBondContact O-CB 3.46Å; P143-N147 PolarHBondContact O-N 3.1Å; E144-N147 PolarHBondContact O-N 2.8Å; N147-I150 PolarHBondContact O-N 3.23Å; N147-H151 PolarHBondContact O-CD2 3.09Å; N147-H151 PolarHBondContact O-N 3.13Å; N147-H151 PolarHBondContact OD1-CD2 3.39Å; N147-H151 PolarHBondContact OD1-NE2 2.97Å
148A87.6Confident85.6Confident6 Ų666.4 Ų66.45%0.0534%0.339CS..Hα-helixtrans-62.2-41.7175.200000111.7Y76 E144 I150 H152 F156Y76-A148 VanDerWaalsContact OH-CB 3.23Å; Y76-A148 WeakPolarHBondContact OH-CB 3.31Å; E144-A148 WeakPolarHBondContact O-CB 3.33Å; E144-A148 PolarHBondContact O-N 3.23Å; A148-I150 VanDerWaalsContact C-N 3.28Å; A148-I150 PolarHBondContact O-N 3.35Å; A148-H152 CarbonylContact O-C 3.46Å; A148-H152 VanDerWaalsContact O-CA 3.29Å; A148-H152 WeakPolarHBondContact O-CA 3.31Å; A148-H152 PolarHBondContact O-N 3.27Å; A148-F156 HydrophobicContact CB-CB 4.32Å; A148-F156 HydrophobicContact CB-CD2 4.34Å
149L85.6Confident87.1Confident12 Ų1268.4 Ų68.46%0.06334%0.344CS..Hα-helixtrans-65-32178.8-16966.4000112.8Y45 P78 P117 M121 A145 A146 F156Y45-L149 HydrophobicContact CD2-CD1 4.46Å; Y45-L149 HydrophobicContact CE2-CD1 3.73Å; P78-L149 HydrophobicContact CG-CD2 4.29Å; P117-L149 HydrophobicContact CB-CD2 3.83Å; P117-L149 HydrophobicContact CG-CD2 4Å; M121-L149 HydrophobicContact CE-CB 3.69Å; M121-L149 HydrophobicContact CE-CD2 3.22Å; M121-L149 HydrophobicContact CE-CG 3.76Å; A145-L149 WeakPolarHBondContact O-CB 3.3Å; A145-L149 PolarHBondContact O-N 3.18Å; A146-L149 PolarHBondContact O-N 3.48Å; L149-F156 HydrophobicContact CB-CD2 4.01Å; L149-F156 HydrophobicContact CB-CE2 4.3Å; L149-F156 HydrophobicContact CB-CG 4.27Å; L149-F156 HydrophobicContact CD1-CB 4.38Å; L149-F156 HydrophobicContact CD1-CD1 3.49Å; L149-F156 VanDerWaalsContact CD1-CD1 3.49Å; L149-F156 HydrophobicContact CD1-CD2 4.21Å; L149-F156 HydrophobicContact CD1-CE1 3.74Å; L149-F156 HydrophobicContact CD1-CE2 4.43Å; L149-F156 HydrophobicContact CD1-CG 3.75Å; L149-F156 HydrophobicContact CD1-CZ 4.21Å
150I83.9Confident88Confident105 Ų10558.9 Ų58.954%0.53830%0.303SS..Hα-helixtrans-81.3-46.3-179.7-64.9168.1000111.9M121 A146 N147 A148M121-I150 HydrophobicContact CE-CD1 4.44Å; M121-I150 HydrophobicContact CE-CG1 4.04Å; M121-I150 HydrophobicContact SD-CD1 4.42Å; A146-I150 WeakPolarHBondContact O-CG1 3.46Å; A146-I150 PolarHBondContact O-N 3.2Å; N147-I150 PolarHBondContact O-N 3.23Å; A148-I150 VanDerWaalsContact C-N 3.28Å; A148-I150 PolarHBondContact O-N 3.35Å
151H86.2Confident88.4Confident118 Ų11862.4 Ų62.455%0.54632%0.319SS..Hα-helixtrans-99.2-31.6-171.6-63.1-68.1000114.2N147N147-H151 PolarHBondContact O-CD2 3.09Å; N147-H151 PolarHBondContact O-N 3.13Å; N147-H151 PolarHBondContact OD1-CD2 3.39Å; N147-H151 PolarHBondContact OD1-NE2 2.97Å
152H89.1Confident88.6Confident106 Ų10662.1 Ų62.149%0.49132%0.319SS..  trans-135.667.1-171.6-56.7111.3000111.3A148 E154 E155 F156A148-H152 CarbonylContact O-C 3.46Å; A148-H152 VanDerWaalsContact O-CA 3.29Å; A148-H152 WeakPolarHBondContact O-CA 3.31Å; A148-H152 PolarHBondContact O-N 3.27Å; H152-E154 PolarHBondContact O-N 3.45Å; H152-E154 VanDerWaalsContact O-N 3.16Å; H152-E155 HydrophobicContact CB-CB 4.04Å; H152-E155 PolarHBondContact O-N 3.01Å; H152-E155 VanDerWaalsContact O-N 3.12Å; H152-F156 PolarHBondContact O-N 2.88Å; H152-F156 VanDerWaalsContact O-N 3.13Å
153P86.8Confident88.6Confident60 Ų6062.3 Ų62.339%0.3932%0.32SS..Hα-helixtrans-61-27.5-17524.5-34.6000113.5D157P153-D157 WeakPolarHBondContact O-CB 3.35Å; P153-D157 PolarHBondContact O-N 3.47Å
154E89.8Confident88.7Confident162 Ų16259.2 Ų59.276%0.75730%0.299SS*.Hα-helixtrans-70.3-39.5176.5-62.2-171.5177.400112.9H152 F156 D157 T158H152-E154 PolarHBondContact O-N 3.45Å; H152-E154 VanDerWaalsContact O-N 3.16Å; E154-F156 VanDerWaalsContact C-N 3.33Å; E154-D157 PolarHBondContact O-N 2.81Å; E154-T158 PolarHBondContact O-N 3.44Å; E154-T158 PolarHBondContact O-OG1 3.45Å
155E90.2Very high88.6Confident82 Ų8258.4 Ų58.438%0.38330%0.302SS..Hα-helixtrans-66-42.5175-172.4-175.3170.200110H152 D157 T158 R159H152-E155 HydrophobicContact CB-CB 4.04Å; H152-E155 PolarHBondContact O-N 3.01Å; H152-E155 VanDerWaalsContact O-N 3.12Å; E155-D157 PolarHBondContact O-N 2.79Å; E155-T158 PolarHBondContact O-N 2.83Å; E155-R159 WeakPolarHBondContact O-CG 3.38Å; E155-R159 PolarHBondContact O-N 3.27Å; E155-R159 IonicContact OE1-CZ 2.66Å; E155-R159 VanDerWaalsContact OE1-CZ 3.29Å; E155-R159 IonicContact OE1-NE 2.69Å; E155-R159 PolarHBondContact OE1-NE 3.01Å; E155-R159 IonicContact OE1-NH2 3.42Å; E155-R159 PolarHBondContact OE1-NH2 3.44Å
156F91.1Very high88.5Confident0 Ų065.3 Ų65.30%033%0.332CS..Hα-helixtrans-59.3-46.8174.7-174.7-86.4000111.6Y45 Y46 Y76 P78 A145 A148 L149 H152 E154 T158 R159 A160Y45-F156 AromaticContact CD1-CD1 3.86Å; Y45-F156 HydrophobicContact CD1-CD1 3.86Å; Y45-F156 HydrophobicContact CD1-CE1 4.16Å; Y45-F156 HydrophobicContact CD2-CD1 4.24Å; Y45-F156 AromaticContact CD2-CE1 3.85Å; Y45-F156 HydrophobicContact CD2-CE1 3.85Å; Y45-F156 HydrophobicContact CE1-CD1 4.08Å; Y45-F156 HydrophobicContact CE2-CD1 4.46Å; Y45-F156 HydrophobicContact CE2-CE1 4.37Å; Y45-F156 AromaticContact CG-CD1 3.92Å; Y45-F156 HydrophobicContact CG-CD1 3.92Å; Y45-F156 AromaticContact CG-CE1 3.73Å; Y45-F156 HydrophobicContact CG-CE1 3.73Å; Y46-F156 WeakPolarHBondContact OH-CZ 3.33Å; Y76-F156 HydrophobicContact CD1-CD2 4.15Å; Y76-F156 HydrophobicContact CD1-CE2 4.07Å; Y76-F156 AromaticContact CE1-CD2 3.58Å; Y76-F156 HydrophobicContact CE1-CD2 3.58Å; Y76-F156 AromaticContact CE1-CE2 3.89Å; Y76-F156 HydrophobicContact CE1-CE2 3.89Å; Y76-F156 HydrophobicContact CE1-CG 4.45Å; P78-F156 HydrophobicContact CG-CE2 4.27Å; A145-F156 HydrophobicContact CB-CE2 4.22Å; A148-F156 HydrophobicContact CB-CB 4.32Å; A148-F156 HydrophobicContact CB-CD2 4.34Å; L149-F156 HydrophobicContact CB-CD2 4.01Å; L149-F156 HydrophobicContact CB-CE2 4.3Å; L149-F156 HydrophobicContact CB-CG 4.27Å; L149-F156 HydrophobicContact CD1-CB 4.38Å; L149-F156 HydrophobicContact CD1-CD1 3.49Å; L149-F156 VanDerWaalsContact CD1-CD1 3.49Å; L149-F156 HydrophobicContact CD1-CD2 4.21Å; L149-F156 HydrophobicContact CD1-CE1 3.74Å; L149-F156 HydrophobicContact CD1-CE2 4.43Å; L149-F156 HydrophobicContact CD1-CG 3.75Å; L149-F156 HydrophobicContact CD1-CZ 4.21Å; H152-F156 PolarHBondContact O-N 2.88Å; H152-F156 VanDerWaalsContact O-N 3.13Å; E154-F156 VanDerWaalsContact C-N 3.33Å; F156-T158 VanDerWaalsContact C-N 3.34Å; F156-T158 PolarHBondContact O-N 2.98Å; F156-R159 PolarHBondContact O-N 2.92Å; F156-A160 HydrophobicContact CE1-CB 4.28Å; F156-A160 VanDerWaalsContact O-CB 3.3Å; F156-A160 WeakPolarHBondContact O-CB 3.38Å; F156-A160 PolarHBondContact O-N 2.87Å
157D90.4Very high88.3Confident42 Ų4265.7 Ų65.723%0.22533%0.333CS..Hα-helixtrans-59.6-43.9177.3-178.453.4000111.9Y45 P153 E154 E155 R159 A160 K161Y45-D157 HydrophobicContact CD1-CB 3.93Å; Y45-D157 HydrophobicContact CE1-CB 4.12Å; P153-D157 WeakPolarHBondContact O-CB 3.35Å; P153-D157 PolarHBondContact O-N 3.47Å; E154-D157 PolarHBondContact O-N 2.81Å; E155-D157 PolarHBondContact O-N 2.79Å; D157-R159 PolarHBondContact O-N 2.8Å; D157-A160 PolarHBondContact O-N 3.27Å; D157-K161 WeakPolarHBondContact O-CB 3.46Å; D157-K161 WeakPolarHBondContact O-CG 3.19Å; D157-K161 PolarHBondContact O-N 3.33Å; D157-K161 WeakPolarHBondContact OD1-CE 3.16Å; D157-K161 IonicContact OD1-NZ 3.63Å; D157-K161 VanDerWaalsContact OD2-CE 3.25Å; D157-K161 WeakPolarHBondContact OD2-CE 3.37Å; D157-K161 IonicContact OD2-NZ 3.73Å; D157-K161 PolarHBondContact OD2-NZ 2.89Å
158T91.7Very high88.1Confident96 Ų9661.6 Ų61.659%0.58931%0.312SS*.Hα-helixtrans-62-43.9177.5-56.10000111.6E154 E155 F156 G162E154-T158 PolarHBondContact O-N 3.44Å; E154-T158 PolarHBondContact O-OG1 3.45Å; E155-T158 PolarHBondContact O-N 2.83Å; F156-T158 VanDerWaalsContact C-N 3.34Å; F156-T158 PolarHBondContact O-N 2.98Å; T158-G162 PolarHBondContact O-N 2.97Å
159R90.6Very high87.5Confident85 Ų8561.6 Ų61.632%0.32131%0.311SS..Hα-helixtrans-67.9-40.3176.9-70.1-177.7-176.8-155.511.2112Y76 E144 E155 F156 D157 G162 C163Y76-R159 HydrophobicContact CD1-CB 3.59Å; Y76-R159 HydrophobicContact CD1-CG 4.43Å; Y76-R159 HydrophobicContact CE1-CB 3.84Å; Y76-R159 VanDerWaalsContact CE1-CD 3.45Å; Y76-R159 HydrophobicContact CE1-CG 4.31Å; Y76-R159 HydrophobicContact CG-CB 4.19Å; Y76-R159 VanDerWaalsContact CZ-CD 3.44Å; Y76-R159 PolarHBondContact OH-NH1 3Å; E144-R159 IonicContact OE1-CZ 3.29Å; E144-R159 IonicContact OE1-NH1 3.24Å; E144-R159 PolarHBondContact OE1-NH1 3.36Å; E144-R159 IonicContact OE1-NH2 2.7Å; E144-R159 PolarHBondContact OE1-NH2 2.87Å; E155-R159 WeakPolarHBondContact O-CG 3.38Å; E155-R159 PolarHBondContact O-N 3.27Å; E155-R159 IonicContact OE1-CZ 2.66Å; E155-R159 VanDerWaalsContact OE1-CZ 3.29Å; E155-R159 IonicContact OE1-NE 2.69Å; E155-R159 PolarHBondContact OE1-NE 3.01Å; E155-R159 IonicContact OE1-NH2 3.42Å; E155-R159 PolarHBondContact OE1-NH2 3.44Å; F156-R159 PolarHBondContact O-N 2.92Å; D157-R159 PolarHBondContact O-N 2.8Å; R159-G162 CarbonylContact O-C 3.58Å; R159-G162 WeakPolarHBondContact O-CA 3.37Å; R159-G162 PolarHBondContact O-N 3.29Å; R159-G162 VanDerWaalsContact O-N 3.1Å; R159-C163 PolarHBondContact O-N 3.17Å
160A90.5Very high86.7Confident0 Ų067 Ų670%033%0.331CS..Hα-helixtrans-63.3-43.1176.900000111.9Y46 F156 D157 G162 C163 V164Y46-A160 HydrophobicContact CD1-CB 4.02Å; Y46-A160 HydrophobicContact CE1-CB 3.72Å; F156-A160 HydrophobicContact CE1-CB 4.28Å; F156-A160 VanDerWaalsContact O-CB 3.3Å; F156-A160 WeakPolarHBondContact O-CB 3.38Å; F156-A160 PolarHBondContact O-N 2.87Å; D157-A160 PolarHBondContact O-N 3.27Å; A160-G162 VanDerWaalsContact C-N 3.28Å; A160-G162 PolarHBondContact O-N 3.4Å; A160-C163 WeakPolarHBondContact O-CA 3.44Å; A160-C163 WeakPolarHBondContact O-CB 3.42Å; A160-C163 PolarHBondContact O-N 3.08Å; A160-V164 PolarHBondContact O-N 2.97Å
161K90.7Very high85.7Confident116 Ų11666 Ų6650%0.50433%0.33SS..Hα-helixtrans-60.1-38.8170.3-74.2169.6176.9164.80111.9D157 C163 V164 T165D157-K161 WeakPolarHBondContact O-CB 3.46Å; D157-K161 WeakPolarHBondContact O-CG 3.19Å; D157-K161 PolarHBondContact O-N 3.33Å; D157-K161 WeakPolarHBondContact OD1-CE 3.16Å; D157-K161 IonicContact OD1-NZ 3.63Å; D157-K161 VanDerWaalsContact OD2-CE 3.25Å; D157-K161 WeakPolarHBondContact OD2-CE 3.37Å; D157-K161 IonicContact OD2-NZ 3.73Å; D157-K161 PolarHBondContact OD2-NZ 2.89Å; K161-C163 VanDerWaalsContact C-N 3.31Å; K161-C163 PolarHBondContact O-N 3.44Å; K161-V164 WeakPolarHBondContact O-CB 3.47Å; K161-V164 PolarHBondContact O-N 3.12Å; K161-T165 WeakPolarHBondContact O-CG2 3.38Å; K161-T165 PolarHBondContact O-N 3.46Å; K161-T165 PolarHBondContact O-OG1 3.45Å
162G90.1Very high84.3Confident22 Ų2264 Ų6423%0.22732%0.321CS..Hα-helixtrans-60.1-37.4171.100000113.4T158 R159 A160 T165 K166T158-G162 PolarHBondContact O-N 2.97Å; R159-G162 CarbonylContact O-C 3.58Å; R159-G162 WeakPolarHBondContact O-CA 3.37Å; R159-G162 PolarHBondContact O-N 3.29Å; R159-G162 VanDerWaalsContact O-N 3.1Å; A160-G162 VanDerWaalsContact C-N 3.28Å; A160-G162 PolarHBondContact O-N 3.4Å; G162-T165 PolarHBondContact O-OG1 2.88Å; G162-K166 WeakPolarHBondContact O-CB 3.48Å; G162-K166 VanDerWaalsContact O-CG 3.25Å; G162-K166 WeakPolarHBondContact O-CG 3.19Å; G162-K166 PolarHBondContact O-N 3.19Å
163C88.4Confident82.6Confident9 Ų964.8 Ų64.86%0.06134%0.335CS..Hα-helixtrans-67.2-41.4173.2-67.90000111.6Y46 Y76 R159 A160 K161 T165 K166 L167Y46-C163 HydrophobicContact CD1-CB 4.47Å; Y46-C163 HydrophobicContact CE1-CB 4.36Å; Y76-C163 VanDerWaalsContact CB-SG 3.59Å; Y76-C163 PolarHBondContact N-SG 3.47Å; Y76-C163 VanDerWaalsContact N-SG 3.38Å; R159-C163 PolarHBondContact O-N 3.17Å; A160-C163 WeakPolarHBondContact O-CA 3.44Å; A160-C163 WeakPolarHBondContact O-CB 3.42Å; A160-C163 PolarHBondContact O-N 3.08Å; K161-C163 VanDerWaalsContact C-N 3.31Å; K161-C163 PolarHBondContact O-N 3.44Å; C163-T165 VanDerWaalsContact C-N 3.34Å; C163-T165 PolarHBondContact O-N 2.95Å; C163-K166 PolarHBondContact O-N 3.09Å; C163-L167 HydrophobicContact CB-CD1 4.19Å; C163-L167 WeakPolarHBondContact O-CA 3.25Å; C163-L167 VanDerWaalsContact O-CB 3.25Å; C163-L167 WeakPolarHBondContact O-CB 3.2Å; C163-L167 PolarHBondContact O-N 3.4Å
164V88.2Confident81.1Confident25 Ų2563.2 Ų63.215%0.15233%0.326CS..Hα-helixtrans-58.6-46.6175.71740000110.7F51 A160 K161 S168F51-V164 HydrophobicContact CZ-CG2 3.92Å; A160-V164 PolarHBondContact O-N 2.97Å; K161-V164 WeakPolarHBondContact O-CB 3.47Å; K161-V164 PolarHBondContact O-N 3.12Å; V164-S168 WeakPolarHBondContact O-CB 3.36Å; V164-S168 PolarHBondContact O-N 3.01Å
165T87.3Confident79.3Confident89 Ų8961.7 Ų61.755%0.54632%0.319SS..Hα-helixtrans-69.8-37.1-178.255.90000112.9K161 G162 C163 T171K161-T165 WeakPolarHBondContact O-CG2 3.38Å; K161-T165 PolarHBondContact O-N 3.46Å; K161-T165 PolarHBondContact O-OG1 3.45Å; G162-T165 PolarHBondContact O-OG1 2.88Å; C163-T165 VanDerWaalsContact C-N 3.34Å; C163-T165 PolarHBondContact O-N 2.95Å; T165-T171 WeakPolarHBondContact O-CB 3.36Å; T165-T171 VanDerWaalsContact O-CG2 3.29Å; T165-T171 WeakPolarHBondContact O-CG2 3.41Å; T165-T171 PolarHBondContact O-OG1 3.17Å
166K86Confident77.5Confident144 Ų14462.6 Ų62.663%0.62633%0.329SS*.Hα-helixtrans-87.5-39.2-175.1-68.6176.3-179.5-177.30114.6G162 C163 Q172G162-K166 WeakPolarHBondContact O-CB 3.48Å; G162-K166 VanDerWaalsContact O-CG 3.25Å; G162-K166 WeakPolarHBondContact O-CG 3.19Å; G162-K166 PolarHBondContact O-N 3.19Å; C163-K166 PolarHBondContact O-N 3.09Å; K166-Q172 WeakPolarHBondContact O-CG 3.35Å; K166-Q172 PolarHBondContact O-NE2 3.19Å
167L84.1Confident75.8Confident11 Ų1162.9 Ų62.96%0.05833%0.331CS..Hα-helixtrans-106.2-5.9-168.1-55.2178.2000112.6F51 F75 C163 V169F51-L167 HydrophobicContact CD1-CB 4.3Å; F51-L167 HydrophobicContact CE1-CB 4.25Å; F75-L167 HydrophobicContact CB-CD1 4.04Å; F75-L167 HydrophobicContact CD2-CD1 3.67Å; F75-L167 HydrophobicContact CG-CD1 4.24Å; C163-L167 HydrophobicContact CB-CD1 4.19Å; C163-L167 WeakPolarHBondContact O-CA 3.25Å; C163-L167 VanDerWaalsContact O-CB 3.25Å; C163-L167 WeakPolarHBondContact O-CB 3.2Å; C163-L167 PolarHBondContact O-N 3.4Å; L167-V169 PolarHBondContact O-N 3.16Å
168S82.6Confident74.1Confident3 Ų364.5 Ų64.52%0.02134%0.344CS..SBendtrans-63.5141.9175.6-169.10000110.4V50 V164 W170 T171 Q172V50-S168 PolarHBondContact N-OG 3.48Å; V50-S168 VanDerWaalsContact N-OG 3.12Å; V50-S168 CarbonylContact O-C 3.52Å; V50-S168 WeakPolarHBondContact O-CA 3.3Å; V50-S168 PolarHBondContact O-OG 3.26Å; V164-S168 WeakPolarHBondContact O-CB 3.36Å; V164-S168 PolarHBondContact O-N 3.01Å; S168-W170 PolarHBondContact O-N 2.86Å; S168-T171 PolarHBondContact O-N 2.94Å; S168-Q172 PolarHBondContact O-N 3.02Å
169V74.5Confident72.3Confident7 Ų762.8 Ų62.84%0.04234%0.336CS..THydrogen-bonded Turntrans-52.8-23.8177.1177.20000112.2V50 D52 L167 T171 S174 L182V50-V169 HydrophobicContact CG1-CB 4.21Å; V50-V169 HydrophobicContact CG1-CG2 4.19Å; V50-V169 WeakPolarHBondContact O-CG2 3.45Å; V50-V169 PolarHBondContact O-N 3.42Å; D52-V169 HydrophobicContact CB-CG2 4.09Å; L167-V169 PolarHBondContact O-N 3.16Å; V169-T171 VanDerWaalsContact C-N 3.32Å; V169-S174 WeakPolarHBondContact CG1-OG 3.22Å; V169-L182 HydrophobicContact CG1-CB 4.35Å; V169-L182 HydrophobicContact CG1-CD1 4.43Å; V169-L182 HydrophobicContact CG1-CD2 3.98Å; V169-L182 HydrophobicContact CG1-CG 4.47Å
170W67.8Low70.6Confident125 Ų12560.9 Ų60.947%0.47333%0.332SS..THydrogen-bonded Turntrans-70.2-26.8173.8-50119.4000113.9V50 S168 W185V50-W170 HydrophobicContact CG2-CZ2 4.06Å; S168-W170 PolarHBondContact O-N 2.86Å; W170-W185 AromaticContact CE3-CE2 3.97Å; W170-W185 HydrophobicContact CE3-CZ2 4Å; W170-W185 AromaticContact CE3-NE1 3.74Å; W170-W185 AromaticContact CZ3-CD1 3.99Å; W170-W185 AromaticContact CZ3-NE1 3.6Å
171T63.2Low69.2Low85 Ų8565.6 Ų65.652%0.52136%0.357SS..THydrogen-bonded Turntrans-96.7-30.5-175.2-43.30000112T165 S168 V169T165-T171 WeakPolarHBondContact O-CB 3.36Å; T165-T171 VanDerWaalsContact O-CG2 3.29Å; T165-T171 WeakPolarHBondContact O-CG2 3.41Å; T165-T171 PolarHBondContact O-OG1 3.17Å; S168-T171 PolarHBondContact O-N 2.94Å; V169-T171 VanDerWaalsContact C-N 3.32Å
172Q56.9Low67.6Low74 Ų7462 Ų6235%0.34634%0.343SS..SBendtrans-101.1137.7-179.7-60.2-163.92.800110.9K166 S168 S174K166-Q172 WeakPolarHBondContact O-CG 3.35Å; K166-Q172 PolarHBondContact O-NE2 3.19Å; S168-Q172 PolarHBondContact O-N 3.02Å; Q172-S174 VanDerWaalsContact C-N 3.27Å; Q172-S174 PolarHBondContact O-N 3.37Å; Q172-S174 PolarHBondContact O-OG 2.85Å
173P54.5Low66.2Low123 Ų12363.7 Ų63.780%0.79935%0.351SS*.  trans-60.8100.4163.226.3-30.1000106.2
174S53.8Low64.9Low27 Ų2763.9 Ų63.919%0.18936%0.355CS..  trans-56146.9-167.5-36.50000109.2V169 Q172 V176V169-S174 WeakPolarHBondContact CG1-OG 3.22Å; Q172-S174 VanDerWaalsContact C-N 3.27Å; Q172-S174 PolarHBondContact O-N 3.37Å; Q172-S174 PolarHBondContact O-OG 2.85Å; S174-V176 VanDerWaalsContact C-N 3.28Å; S174-V176 PolarHBondContact O-N 2.98Å
175Q53.8Low63.7Low131 Ų13168.6 Ų68.661%0.61237%0.37SS*.  trans-56.2105.6160.8-69.6-169-10.200105.8I177Q175-I177 PolarHBondContact O-N 3.3Å
176V52.1Low62.6Low100 Ų10069 Ų6961%0.60637%0.367SS*.  trans-53.5106.6-169.8-177.10000106.7S174 P178S174-V176 VanDerWaalsContact C-N 3.28Å; S174-V176 PolarHBondContact O-N 2.98Å; V176-P178 WeakPolarHBondContact O-CD 3Å
177I54.2Low61.8Low6 Ų664 Ų643%0.03135%0.35CS..BIsolated β-bridgetrans-69.7109.6164.3-56.1-177.6000102.5L36 I38 Q175 S179 L180L36-I177 HydrophobicContact CB-CB 4.44Å; L36-I177 HydrophobicContact CB-CD1 3.91Å; L36-I177 HydrophobicContact CB-CG1 3.81Å; L36-I177 HydrophobicContact CB-CG2 4.01Å; L36-I177 HydrophobicContact CD1-CB 4.3Å; L36-I177 HydrophobicContact CD1-CG1 4.03Å; L36-I177 HydrophobicContact CD1-CG2 4.26Å; L36-I177 HydrophobicContact CG-CG1 4.5Å; I38-I177 HydrophobicContact CD1-CD1 3.76Å; I38-I177 HydrophobicContact CG1-CD1 3.72Å; Q175-I177 PolarHBondContact O-N 3.3Å; I177-S179 PolarHBondContact O-N 2.79Å; I177-S179 VanDerWaalsContact O-N 3.07Å; I177-L180 HydrophobicContact CB-CB 3.89Å; I177-L180 HydrophobicContact CB-CG 4.49Å; I177-L180 HydrophobicContact CD1-CB 4.44Å; I177-L180 HydrophobicContact CD1-CD1 3.93Å; I177-L180 HydrophobicContact CG2-CB 3.84Å; I177-L180 HydrophobicContact CG2-CD1 4.06Å; I177-L180 HydrophobicContact CG2-CG 3.93Å; I177-L180 CarbonylContact O-C 3.59Å; I177-L180 PolarHBondContact O-N 3.17Å
178P54.7Low61.3Low76 Ų7668.8 Ų68.849%0.49438%0.375SS..THydrogen-bonded Turntrans-56.9-34.5-171.5-24.735.7000111.5V176V176-P178 WeakPolarHBondContact O-CD 3Å
179S55.5Low61.1Low60 Ų6072.1 Ų72.142%0.4240%0.399SS..THydrogen-bonded Turntrans-81.6-13.5176.952.10000115.3S26 I177S26-S179 WeakPolarHBondContact CB-OG 3.39Å; S26-S179 PolarHBondContact OG-OG 3.23Å; I177-S179 PolarHBondContact O-N 2.79Å; I177-S179 VanDerWaalsContact O-N 3.07Å
180L55Low61.1Low45 Ų4575.7 Ų75.724%0.23642%0.417CS..BIsolated β-bridgetrans-125.385174.8-57.7170.6000108.3I24 I38 I177 L182I24-L180 HydrophobicContact CB-CD1 4.38Å; I24-L180 HydrophobicContact CG2-CD1 3.67Å; I24-L180 HydrophobicContact CG2-CD2 4Å; I24-L180 HydrophobicContact CG2-CG 4.5Å; I38-L180 HydrophobicContact CD1-CD1 4.35Å; I177-L180 HydrophobicContact CB-CB 3.89Å; I177-L180 HydrophobicContact CB-CG 4.49Å; I177-L180 HydrophobicContact CD1-CB 4.44Å; I177-L180 HydrophobicContact CD1-CD1 3.93Å; I177-L180 HydrophobicContact CG2-CB 3.84Å; I177-L180 HydrophobicContact CG2-CD1 4.06Å; I177-L180 HydrophobicContact CG2-CG 3.93Å; I177-L180 CarbonylContact O-C 3.59Å; I177-L180 PolarHBondContact O-N 3.17Å; L180-L182 VanDerWaalsContact C-N 3.28Å; L180-L182 HydrophobicContact CB-CD1 3.99Å; L180-L182 WeakPolarHBondContact O-CD1 3.41Å; L180-L182 PolarHBondContact O-N 3.14Å
181N60Low61.4Low99 Ų9971.7 Ų71.753%0.52940%0.404SS..  trans-70.886.4171.1-176.2-4.7000109.6S183 G184N181-S183 VanDerWaalsContact C-N 3.27Å; N181-S183 PolarHBondContact OD1-N 3.39Å; N181-S183 VanDerWaalsContact OD1-N 3.1Å; N181-S183 PolarHBondContact OD1-OG 2.84Å; N181-G184 PolarHBondContact OD1-N 2.83Å; N181-G184 VanDerWaalsContact OD1-N 3.08Å
182L57.5Low62.1Low42 Ų4271 Ų7122%0.2240%0.398CS..G310 helixtrans-76.3-15.2171.8-70107.6000113I38 V169 L180 G184 W185I38-L182 HydrophobicContact CD1-CD1 3.03Å; I38-L182 HydrophobicContact CD1-CD2 3.76Å; I38-L182 HydrophobicContact CD1-CG 3.97Å; I38-L182 HydrophobicContact CG1-CD1 4.49Å; V169-L182 HydrophobicContact CG1-CB 4.35Å; V169-L182 HydrophobicContact CG1-CD1 4.43Å; V169-L182 HydrophobicContact CG1-CD2 3.98Å; V169-L182 HydrophobicContact CG1-CG 4.47Å; L180-L182 VanDerWaalsContact C-N 3.28Å; L180-L182 HydrophobicContact CB-CD1 3.99Å; L180-L182 WeakPolarHBondContact O-CD1 3.41Å; L180-L182 PolarHBondContact O-N 3.14Å; L182-G184 PolarHBondContact O-N 2.8Å; L182-W185 PolarHBondContact O-NE1 2.8Å
183S60Low63.2Low57 Ų5772.3 Ų72.340%0.39941%0.407SS..G310 helixtrans-75.6-1.9174.147.30000113.3N181 W185 M186 S187N181-S183 VanDerWaalsContact C-N 3.27Å; N181-S183 PolarHBondContact OD1-N 3.39Å; N181-S183 VanDerWaalsContact OD1-N 3.1Å; N181-S183 PolarHBondContact OD1-OG 2.84Å; S183-W185 PolarHBondContact O-N 2.85Å; S183-M186 WeakPolarHBondContact O-CA 3.36Å; S183-M186 WeakPolarHBondContact O-CB 3.47Å; S183-M186 PolarHBondContact O-N 3Å; S183-S187 PolarHBondContact O-N 3.48Å
184G62.1Low64.3Low13 Ų1368.2 Ų68.213%0.13438%0.384CS..G310 helixtrans-55.6-35.5-179.700000113.4N181 L182 M186 S187N181-G184 PolarHBondContact OD1-N 2.83Å; N181-G184 VanDerWaalsContact OD1-N 3.08Å; L182-G184 PolarHBondContact O-N 2.8Å; G184-M186 VanDerWaalsContact C-N 3.27Å; G184-M186 PolarHBondContact O-N 2.72Å; G184-S187 WeakPolarHBondContact O-CB 3.48Å; G184-S187 PolarHBondContact O-N 3.2Å
185W63Low65.2Low123 Ų12370.2 Ų70.247%0.46639%0.387SS..G310 helixtrans-72.8-16.4175.970.4-92.5000113.7W170 L182 S183 S187 L191W170-W185 AromaticContact CE3-CE2 3.97Å; W170-W185 HydrophobicContact CE3-CZ2 4Å; W170-W185 AromaticContact CE3-NE1 3.74Å; W170-W185 AromaticContact CZ3-CD1 3.99Å; W170-W185 AromaticContact CZ3-NE1 3.6Å; L182-W185 PolarHBondContact O-NE1 2.8Å; S183-W185 PolarHBondContact O-N 2.85Å; W185-S187 VanDerWaalsContact C-N 3.33Å; W185-L191 VanDerWaalsContact O-CD1 3.23Å; W185-L191 WeakPolarHBondContact O-CD1 3.42Å
186M63.9Low66.5Low99 Ų9968.2 Ų68.249%0.48838%0.38SS..G310 helixtrans-84.8-10.9172.3-64.3172.5157.600112S183 G184 D188S183-M186 WeakPolarHBondContact O-CA 3.36Å; S183-M186 WeakPolarHBondContact O-CB 3.47Å; S183-M186 PolarHBondContact O-N 3Å; G184-M186 VanDerWaalsContact C-N 3.27Å; G184-M186 PolarHBondContact O-N 2.72Å; M186-D188 PolarHBondContact O-N 2.82Å
187S68.3Low67.9Low37 Ų3769 Ų6926%0.25938%0.381SS..  trans-83.7110.3-179.6179.70000110.1S183 G184 W185 S189 I190 L191S183-S187 PolarHBondContact O-N 3.48Å; G184-S187 WeakPolarHBondContact O-CB 3.48Å; G184-S187 PolarHBondContact O-N 3.2Å; W185-S187 VanDerWaalsContact C-N 3.33Å; S187-S189 PolarHBondContact O-N 2.89Å; S187-S189 PolarHBondContact OG-OG 2.88Å; S187-I190 PolarHBondContact O-N 3.22Å; S187-L191 PolarHBondContact O-N 3.25Å
188D74Confident69Low112 Ų11272.3 Ų72.360%0.59940%0.398SS*.Hα-helixtrans-56.5-33176.4-75.1-38.9000112.4M186 N192M186-D188 PolarHBondContact O-N 2.82Å; D188-N192 WeakPolarHBondContact O-CB 3.39Å; D188-N192 PolarHBondContact O-N 2.96Å; D188-N192 PolarHBondContact O-ND2 3.49Å; D188-N192 VanDerWaalsContact O-ND2 3.09Å; D188-N192 PolarHBondContact O-OD1 2.79Å
189S78.4Confident70.1Confident73 Ų7371.4 Ų71.451%0.5139%0.387SS..Hα-helixtrans-65.9-46.8177.559.60000112.2S187 L191 N192 D193S187-S189 PolarHBondContact O-N 2.89Å; S187-S189 PolarHBondContact OG-OG 2.88Å; S189-L191 VanDerWaalsContact C-N 3.32Å; S189-L191 PolarHBondContact O-N 3.38Å; S189-N192 PolarHBondContact O-N 2.85Å; S189-D193 WeakPolarHBondContact O-CB 3.42Å; S189-D193 PolarHBondContact O-N 2.8Å
190I74.3Confident71.1Confident82 Ų8276.4 Ų76.442%0.42140%0.397SS..Hα-helixtrans-65-41178.3-62.8175000110.2S187 A194S187-I190 PolarHBondContact O-N 3.22Å; I190-A194 WeakPolarHBondContact O-CB 3.13Å; I190-A194 PolarHBondContact O-N 3.48Å
191L74Confident71.9Confident41 Ų4180.6 Ų80.622%0.21541%0.414CS..Hα-helixtrans-64.3-42.5176.2-72.4-179.1000111.8W185 S187 S189 A194 R195W185-L191 VanDerWaalsContact O-CD1 3.23Å; W185-L191 WeakPolarHBondContact O-CD1 3.42Å; S187-L191 PolarHBondContact O-N 3.25Å; S189-L191 VanDerWaalsContact C-N 3.32Å; S189-L191 PolarHBondContact O-N 3.38Å; L191-A194 PolarHBondContact O-N 2.95Å; L191-R195 WeakPolarHBondContact O-CB 3.44Å; L191-R195 VanDerWaalsContact O-CG 3.24Å; L191-R195 WeakPolarHBondContact O-CG 3.35Å; L191-R195 PolarHBondContact O-N 3.39Å
192N77.5Confident72.3Confident71 Ų7180 Ų8038%0.3841%0.408SS..Hα-helixtrans-67.6-41.8178.3-69.2-19.6000111.4D188 S189 A194 R195 D196D188-N192 WeakPolarHBondContact O-CB 3.39Å; D188-N192 PolarHBondContact O-N 2.96Å; D188-N192 PolarHBondContact O-ND2 3.49Å; D188-N192 VanDerWaalsContact O-ND2 3.09Å; D188-N192 PolarHBondContact O-OD1 2.79Å; S189-N192 PolarHBondContact O-N 2.85Å; N192-A194 VanDerWaalsContact C-N 3.29Å; N192-A194 PolarHBondContact O-N 2.87Å; N192-R195 WeakPolarHBondContact O-CB 3.46Å; N192-R195 PolarHBondContact O-N 3.1Å; N192-R195 PolarHBondContact OD1-NH1 3.2Å; N192-D196 WeakPolarHBondContact O-CB 3.28Å; N192-D196 PolarHBondContact O-N 2.93Å
193D81.1Confident72.8Confident101 Ų10182.5 Ų82.554%0.5442%0.421SS..Hα-helixtrans-59.8-41.5173.5-68.8-16.4000111.1S189 L197S189-D193 WeakPolarHBondContact O-CB 3.42Å; S189-D193 PolarHBondContact O-N 2.8Å; D193-L197 VanDerWaalsContact O-CG 3.32Å; D193-L197 WeakPolarHBondContact O-CG 3.5Å; D193-L197 PolarHBondContact O-N 2.87Å
194A76.4Confident72.8Confident38 Ų3883.3 Ų83.331%0.31443%0.427SS..Hα-helixtrans-66.8-40.7175.100000112.4I190 L191 N192 L197 L198 M224I190-A194 WeakPolarHBondContact O-CB 3.13Å; I190-A194 PolarHBondContact O-N 3.48Å; L191-A194 PolarHBondContact O-N 2.95Å; N192-A194 VanDerWaalsContact C-N 3.29Å; N192-A194 PolarHBondContact O-N 2.87Å; A194-L197 PolarHBondContact O-N 2.69Å; A194-L198 WeakPolarHBondContact O-CG 3.47Å; A194-L198 PolarHBondContact O-N 3.3Å; A194-M224 HydrophobicContact CB-CE 4.45Å
195R74.4Confident72.6Confident69 Ų6985 Ų8526%0.2643%0.432SS..Hα-helixtrans-60.3-46.9174.3-76174.2-177.2120.34.5110.8L191 N192 L197 L198 Q199 M224L191-R195 WeakPolarHBondContact O-CB 3.44Å; L191-R195 VanDerWaalsContact O-CG 3.24Å; L191-R195 WeakPolarHBondContact O-CG 3.35Å; L191-R195 PolarHBondContact O-N 3.39Å; N192-R195 WeakPolarHBondContact O-CB 3.46Å; N192-R195 PolarHBondContact O-N 3.1Å; N192-R195 PolarHBondContact OD1-NH1 3.2Å; R195-L197 VanDerWaalsContact C-N 3.34Å; R195-L197 PolarHBondContact O-N 2.97Å; R195-L198 PolarHBondContact O-N 2.89Å; R195-Q199 WeakPolarHBondContact O-CB 3.41Å; R195-Q199 PolarHBondContact O-N 2.69Å; R195-M224 HydrophobicContact CG-CE 3.8Å
196D81.3Confident72.3Confident88 Ų8885.7 Ų85.747%0.47145%0.445SS..Hα-helixtrans-62.7-40.7178.8-75.9-2.6000111.5N192 R200N192-D196 WeakPolarHBondContact O-CB 3.28Å; N192-D196 PolarHBondContact O-N 2.93Å; D196-R200 WeakPolarHBondContact O-CB 3.43Å; D196-R200 WeakPolarHBondContact O-CG 3.4Å; D196-R200 PolarHBondContact O-N 2.81Å
197L81Confident71.8Confident117 Ų11788.3 Ų88.361%0.61346%0.461SS*.Hα-helixtrans-65.8-39.9175.8-75.1174000112.7D193 A194 R195 F201D193-L197 VanDerWaalsContact O-CG 3.32Å; D193-L197 WeakPolarHBondContact O-CG 3.5Å; D193-L197 PolarHBondContact O-N 2.87Å; A194-L197 PolarHBondContact O-N 2.69Å; R195-L197 VanDerWaalsContact C-N 3.34Å; R195-L197 PolarHBondContact O-N 2.97Å; L197-F201 PolarHBondContact O-N 2.79Å
198L76.8Confident70.7Confident76 Ų7694.2 Ų94.240%0.39849%0.485SS..Hα-helixtrans-68.8-42.4176.8-73.7170.3000111.8A194 R195 R200 F201 E202 P221 M224A194-L198 WeakPolarHBondContact O-CG 3.47Å; A194-L198 PolarHBondContact O-N 3.3Å; R195-L198 PolarHBondContact O-N 2.89Å; L198-R200 PolarHBondContact O-N 2.75Å; L198-F201 WeakPolarHBondContact O-CB 3.29Å; L198-F201 PolarHBondContact O-N 2.84Å; L198-F201 VanDerWaalsContact O-N 3.12Å; L198-E202 PolarHBondContact O-N 2.95Å; L198-E202 VanDerWaalsContact O-N 3.09Å; L198-P221 HydrophobicContact CB-CB 4.47Å; L198-M224 HydrophobicContact CD1-CE 3.48Å; L198-M224 VanDerWaalsContact CD1-CE 3.48Å
199Q77.9Confident69.3Low56 Ų5698.2 Ų98.226%0.26250%0.5SS..Hα-helixtrans-62.8-42.8177.9-168.86360.900111.4R195 F201 E202 D203R195-Q199 WeakPolarHBondContact O-CB 3.41Å; R195-Q199 PolarHBondContact O-N 2.69Å; Q199-F201 PolarHBondContact O-N 2.83Å; Q199-E202 PolarHBondContact NE2-OE2 2.77Å; Q199-E202 WeakPolarHBondContact O-CB 3.32Å; Q199-E202 PolarHBondContact O-N 3.49Å; Q199-E202 VanDerWaalsContact O-N 3.11Å; Q199-D203 PolarHBondContact NE2-OD1 2.8Å; Q199-D203 VanDerWaalsContact O-CG 3.27Å; Q199-D203 PolarHBondContact O-N 2.99Å
200R77.1Confident67.7Low166 Ų166101.6 Ų101.663%0.62651%0.506SS*.Hα-helixtrans-60.1-32.7174.5-72.7171.6-169.9-170.56.7112.9D196 L198 S204D196-R200 WeakPolarHBondContact O-CB 3.43Å; D196-R200 WeakPolarHBondContact O-CG 3.4Å; D196-R200 PolarHBondContact O-N 2.81Å; L198-R200 PolarHBondContact O-N 2.75Å; R200-S204 WeakPolarHBondContact O-CB 3.42Å; R200-S204 PolarHBondContact O-N 2.8Å; R200-S204 VanDerWaalsContact O-N 3.12Å; R200-S204 PolarHBondContact O-OG 2.96Å
201F71.2Confident66.3Low133 Ų133105 Ų10558%0.58352%0.524SS*.Hα-helixtrans-71.1-37.6176.7-167.3-97.6000111.4L197 L198 Q199 S204 N205L197-F201 PolarHBondContact O-N 2.79Å; L198-F201 WeakPolarHBondContact O-CB 3.29Å; L198-F201 PolarHBondContact O-N 2.84Å; L198-F201 VanDerWaalsContact O-N 3.12Å; Q199-F201 PolarHBondContact O-N 2.83Å; F201-S204 PolarHBondContact O-N 3.31Å; F201-S204 PolarHBondContact O-OG 3.28Å; F201-N205 WeakPolarHBondContact CD1-ND2 3.11Å; F201-N205 WeakPolarHBondContact CE1-ND2 3.21Å; F201-N205 PolarHBondContact O-N 2.89Å; F201-N205 PolarHBondContact O-ND2 3.4Å
202E69Low64.9Low87 Ų87109.8 Ų109.841%0.40756%0.555SS.*Hα-helixtrans-62.5-51.7173.5-163.3175.2-164.200110.7L198 Q199 S204 N205L198-E202 PolarHBondContact O-N 2.95Å; L198-E202 VanDerWaalsContact O-N 3.09Å; Q199-E202 PolarHBondContact NE2-OE2 2.77Å; Q199-E202 WeakPolarHBondContact O-CB 3.32Å; Q199-E202 PolarHBondContact O-N 3.49Å; Q199-E202 VanDerWaalsContact O-N 3.11Å; E202-S204 PolarHBondContact O-N 3.43Å; E202-N205 PolarHBondContact O-N 3.36Å
203D66.6Low63.3Low94 Ų94111.1 Ų111.150%0.50357%0.569SS.*Hα-helixtrans-61.5-29.2-180-57.3-14.6000112.7Q199Q199-D203 PolarHBondContact NE2-OD1 2.8Å; Q199-D203 VanDerWaalsContact O-CG 3.27Å; Q199-D203 PolarHBondContact O-N 2.99Å
204S61.5Low61.7Low74 Ų74115.2 Ų115.252%0.51759%0.585SS.*Hα-helixtrans-78.3-17.6177.570.90000114.6R200 F201 E202 D206R200-S204 WeakPolarHBondContact O-CB 3.42Å; R200-S204 PolarHBondContact O-N 2.8Å; R200-S204 VanDerWaalsContact O-N 3.12Å; R200-S204 PolarHBondContact O-OG 2.96Å; F201-S204 PolarHBondContact O-N 3.31Å; F201-S204 PolarHBondContact O-OG 3.28Å; E202-S204 PolarHBondContact O-N 3.43Å; S204-D206 VanDerWaalsContact C-N 3.29Å
205N57.9Low60.4Low47 Ų47115.5 Ų115.525%0.25159%0.592SS.*G310 helixtrans-85-1-179.2-85.7-75.3000113.1F201 E202 D207 K210F201-N205 WeakPolarHBondContact CD1-ND2 3.11Å; F201-N205 WeakPolarHBondContact CE1-ND2 3.21Å; F201-N205 PolarHBondContact O-N 2.89Å; F201-N205 PolarHBondContact O-ND2 3.4Å; E202-N205 PolarHBondContact O-N 3.36Å; N205-D207 PolarHBondContact O-N 3.07Å; N205-K210 VanDerWaalsContact CG-NZ 3.26Å; N205-K210 PolarHBondContact OD1-NZ 2.6Å
206D56.8Low59.3Low138 Ų138120.3 Ų120.374%0.73862%0.615SS**G310 helixtrans-65.7-13.7177.9-77.1-21.5000113.2S204S204-D206 VanDerWaalsContact C-N 3.29Å
207D51.7Low58Low154 Ų154117.9 Ų117.982%0.82461%0.605SS**G310 helixtrans-97.9-1.1-175.6-75.4-33000115.9N205N205-D207 PolarHBondContact O-N 3.07Å
208E45.3Very low57.1Low162 Ų162121 Ų12176%0.75761%0.609SS**SBendtrans-128.7120174.6-81.6-171.3169.200113.6K210E208-K210 PolarHBondContact O-N 3.06Å
209E44.6Very low56.5Low195 Ų195120.7 Ų120.791%0.91161%0.607SS**  trans-32.183.2175.1-64.1179.8156.100114.6L211E209-L211 PolarHBondContact O-N 3.47Å; E209-L211 VanDerWaalsContact O-N 3.12Å
210K46.3Very low55.9Low145 Ų145119.9 Ų119.963%0.6360%0.604SS**  trans-81101.1170.3-84.8177.6-175.3164.40109.5N205 E208 V212N205-K210 VanDerWaalsContact CG-NZ 3.26Å; N205-K210 PolarHBondContact OD1-NZ 2.6Å; E208-K210 PolarHBondContact O-N 3.06Å; K210-V212 PolarHBondContact O-N 3.39Å
211L42.9Very low55.4Low154 Ų154113.2 Ų113.281%0.80658%0.583SS**  trans-23.8127.2145.8-93.890.8000109.5E209 S213E209-L211 PolarHBondContact O-N 3.47Å; E209-L211 VanDerWaalsContact O-N 3.12Å; L211-S213 PolarHBondContact O-N 2.96Å; L211-S213 PolarHBondContact O-OG 3.09Å
212V46.1Very low55.2Low141 Ų141114.5 Ų114.586%0.85559%0.588SS**  trans-63.170.5173.3-174.60000109.4K210K210-V212 PolarHBondContact O-N 3.39Å
213S43.8Very low55.3Low98 Ų98113.3 Ų113.369%0.68559%0.589SS**  trans-86.8100.3154.142.60000104.8L211 G215L211-S213 PolarHBondContact O-N 2.96Å; L211-S213 PolarHBondContact O-OG 3.09Å; S213-G215 PolarHBondContact O-N 2.81Å
214Q47.3Very low55.2Low187 Ų187111.3 Ų111.387%0.87458%0.578SS**  trans-55.477.6154.3-79.3175.3-33.200107.4
215G49.6Very low55.3Low45 Ų45110.3 Ų110.346%0.46457%0.57SS.*  trans-89.6132.8179.700000107.9S213 S217S213-G215 PolarHBondContact O-N 2.81Å; G215-S217 PolarHBondContact O-N 3.06Å
216F51.6Low55.3Low169 Ų169113.3 Ų113.374%0.74159%0.586SS**  trans-61.6109.5167.8-63.6-85.9000108.4W218F216-W218 PolarHBondContact O-N 3.16Å
217S53.5Low55.2Low37 Ų37113.1 Ų113.126%0.25958%0.578SS.*  trans-67.9123.6164.1-176.80000107.9G215 I219G215-S217 PolarHBondContact O-N 3.06Å; S217-I219 PolarHBondContact O-N 3.37Å; S217-I219 PolarHBondContact OG-O 2.93Å
218W61.4Low55.3Low183 Ų183106.9 Ų106.969%0.69355%0.547SS*.SBendtrans-69.3-17.2-178.9-77.378.6000112.2F216 I226 F227F216-W218 PolarHBondContact O-N 3.16Å; W218-I226 VanDerWaalsContact O-CA 3.24Å; W218-I226 WeakPolarHBondContact O-CA 3.44Å; W218-I226 VanDerWaalsContact O-CG2 3.28Å; W218-I226 WeakPolarHBondContact O-CG2 3.12Å; W218-F227 HydrophobicContact CD2-CE1 4.17Å; W218-F227 HydrophobicContact CE3-CD1 4.33Å; W218-F227 AromaticContact CE3-CE1 3.43Å; W218-F227 HydrophobicContact CE3-CE1 3.43Å; W218-F227 VanDerWaalsContact CE3-CE1 3.43Å; W218-F227 AromaticContact CE3-CZ 3.78Å; W218-F227 HydrophobicContact CE3-CZ 3.78Å; W218-F227 AromaticContact CH2-CE1 3.99Å; W218-F227 HydrophobicContact CH2-CE1 3.99Å; W218-F227 HydrophobicContact CH2-CZ 4.34Å; W218-F227 AromaticContact CZ3-CE1 3.34Å; W218-F227 HydrophobicContact CZ3-CE1 3.34Å; W218-F227 AromaticContact CZ3-CZ 3.46Å; W218-F227 HydrophobicContact CZ3-CZ 3.46Å; W218-F227 VanDerWaalsContact CZ3-CZ 3.46Å; W218-F227 PolarHBondContact O-N 3.28Å; W218-F227 VanDerWaalsContact O-N 3.12Å
219I64.3Low55.8Low69 Ų69105.4 Ų105.435%0.35454%0.544SS..BIsolated β-bridgetrans-146.5130.9-178.1-113.3155.5000110.4S217 P221 S225 I226S217-I219 PolarHBondContact O-N 3.37Å; S217-I219 PolarHBondContact OG-O 2.93Å; I219-P221 WeakPolarHBondContact O-CD 3.47Å; I219-S225 WeakPolarHBondContact CA-O 3.36Å; I219-I226 HydrophobicContact CG1-CG1 4.33Å
220D65.4Low56.3Low39 Ų39102.3 Ų102.321%0.20953%0.53CS..  trans-68119.3167.5-170.9-17.1000109.1K222 S223 M224 S225 S228D220-K222 PolarHBondContact O-N 3.09Å; D220-K222 WeakPolarHBondContact OD1-CB 3.29Å; D220-K222 PolarHBondContact OD1-N 3.17Å; D220-S223 WeakPolarHBondContact CB-OG 3.46Å; D220-S223 VanDerWaalsContact OD2-CB 3.3Å; D220-S223 WeakPolarHBondContact OD2-CB 3.36Å; D220-S223 PolarHBondContact OD2-N 3.21Å; D220-S223 PolarHBondContact OD2-OG 3.2Å; D220-M224 WeakPolarHBondContact O-CA 3.31Å; D220-M224 PolarHBondContact O-N 3.08Å; D220-S225 PolarHBondContact N-O 3.4Å; D220-S228 VanDerWaalsContact CA-OG 3.25Å; D220-S228 WeakPolarHBondContact CA-OG 3.32Å; D220-S228 WeakPolarHBondContact CB-OG 3.5Å; D220-S228 PolarHBondContact N-OG 3.16Å
221P65.7Low56.5Low27 Ų27101.2 Ų101.218%0.17554%0.535CS..THydrogen-bonded Turntrans-60.8-27.7175.621.6-29.3000112.5L198 I219L198-P221 HydrophobicContact CB-CB 4.47Å; I219-P221 WeakPolarHBondContact O-CD 3.47Å
222K67.4Low56.6Low159 Ų15999.2 Ų99.269%0.69153%0.532SS*.THydrogen-bonded Turntrans-82.4-49.2-179.1-65179.1-178.2171.10112.5D220D220-K222 PolarHBondContact O-N 3.09Å; D220-K222 WeakPolarHBondContact OD1-CB 3.29Å; D220-K222 PolarHBondContact OD1-N 3.17Å
223S71.7Confident56.5Low63 Ų6399 Ų9944%0.44153%0.53SS..THydrogen-bonded Turntrans-95.9-14.3-176.868.80000114.8D220 S225D220-S223 WeakPolarHBondContact CB-OG 3.46Å; D220-S223 VanDerWaalsContact OD2-CB 3.3Å; D220-S223 WeakPolarHBondContact OD2-CB 3.36Å; D220-S223 PolarHBondContact OD2-N 3.21Å; D220-S223 PolarHBondContact OD2-OG 3.2Å; S223-S225 PolarHBondContact O-N 3.38Å; S223-S225 VanDerWaalsContact O-N 3.16Å; S223-S225 WeakPolarHBondContact OG-CB 3.31Å; S223-S225 PolarHBondContact OG-N 3.47Å; S223-S225 PolarHBondContact OG-OG 2.98Å
224M65.3Low56.2Low52 Ų52101.5 Ų101.526%0.25654%0.536SS..  trans53.920.7-166.9-65.1-124.1166.500113.8A194 R195 L198 D220A194-M224 HydrophobicContact CB-CE 4.45Å; R195-M224 HydrophobicContact CG-CE 3.8Å; L198-M224 HydrophobicContact CD1-CE 3.48Å; L198-M224 VanDerWaalsContact CD1-CE 3.48Å; D220-M224 WeakPolarHBondContact O-CA 3.31Å; D220-M224 PolarHBondContact O-N 3.08Å
225S63.6Low55.7Low52 Ų5297.4 Ų97.436%0.36453%0.528SS..  trans-74.5133173.861.90000109.8I219 D220 S223I219-S225 WeakPolarHBondContact CA-O 3.36Å; D220-S225 PolarHBondContact N-O 3.4Å; S223-S225 PolarHBondContact O-N 3.38Å; S223-S225 VanDerWaalsContact O-N 3.16Å; S223-S225 WeakPolarHBondContact OG-CB 3.31Å; S223-S225 PolarHBondContact OG-N 3.47Å; S223-S225 PolarHBondContact OG-OG 2.98Å
226I57.5Low55Low111 Ų111102.3 Ų102.357%0.56954%0.543SS*.BIsolated β-bridgetrans-75.5130.5177.8-48.9177.5000107.3W218 I219W218-I226 VanDerWaalsContact O-CA 3.24Å; W218-I226 WeakPolarHBondContact O-CA 3.44Å; W218-I226 VanDerWaalsContact O-CG2 3.28Å; W218-I226 WeakPolarHBondContact O-CG2 3.12Å; I219-I226 HydrophobicContact CG1-CG1 4.33Å
227F53.2Low54.1Low133 Ų13399.5 Ų99.558%0.58355%0.545SS*.THydrogen-bonded Turntrans69.341.3-178.4-45.3-73.5000116.1W218W218-F227 HydrophobicContact CD2-CE1 4.17Å; W218-F227 HydrophobicContact CE3-CD1 4.33Å; W218-F227 AromaticContact CE3-CE1 3.43Å; W218-F227 HydrophobicContact CE3-CE1 3.43Å; W218-F227 VanDerWaalsContact CE3-CE1 3.43Å; W218-F227 AromaticContact CE3-CZ 3.78Å; W218-F227 HydrophobicContact CE3-CZ 3.78Å; W218-F227 AromaticContact CH2-CE1 3.99Å; W218-F227 HydrophobicContact CH2-CE1 3.99Å; W218-F227 HydrophobicContact CH2-CZ 4.34Å; W218-F227 AromaticContact CZ3-CE1 3.34Å; W218-F227 HydrophobicContact CZ3-CE1 3.34Å; W218-F227 AromaticContact CZ3-CZ 3.46Å; W218-F227 HydrophobicContact CZ3-CZ 3.46Å; W218-F227 VanDerWaalsContact CZ3-CZ 3.46Å; W218-F227 PolarHBondContact O-N 3.28Å; W218-F227 VanDerWaalsContact O-N 3.12Å
228S54.9Low53.4Low23 Ų23102.8 Ų102.816%0.16157%0.568CS.*  trans-72.9127167.256.70000110.9D220 E230D220-S228 VanDerWaalsContact CA-OG 3.25Å; D220-S228 WeakPolarHBondContact CA-OG 3.32Å; D220-S228 WeakPolarHBondContact CB-OG 3.5Å; D220-S228 PolarHBondContact N-OG 3.16Å; S228-E230 PolarHBondContact O-N 3.45Å
229N56.5Low52Low131 Ų131100.3 Ų100.370%0.70157%0.573SS**  trans-64.7118.8164.6-77.2-13.7000108.1T231N229-T231 PolarHBondContact O-N 3.45Å
230E53.9Low50.9Low131 Ų131107.2 Ų107.261%0.61260%0.596SS**  trans-55.5107.9165.1-80.5175.9-171.800107.7S228 P232S228-E230 PolarHBondContact O-N 3.45Å; E230-P232 WeakPolarHBondContact O-CD 3.41Å
231T50.3Low49.9Very low122 Ų122115 Ų11575%0.74865%0.645SS**  trans-66.9122.3174.146.50000107.2N229 V233N229-T231 PolarHBondContact O-N 3.45Å; T231-V233 PolarHBondContact O-N 3.37Å; T231-V233 VanDerWaalsContact O-N 3.13Å
232P44.8Very low49.1Very low112 Ų112119.4 Ų119.473%0.72767%0.669SS**  trans-56.9124.3-175.220.8-31000109.2E230 N234E230-P232 WeakPolarHBondContact O-CD 3.41Å; P232-N234 PolarHBondContact O-N 2.85Å
233V45.4Very low48.1Very low136 Ų136117.3 Ų117.382%0.82467%0.668SS**  trans-54.5106.9172.8178.10000106.6T231 S235T231-V233 PolarHBondContact O-N 3.37Å; T231-V233 VanDerWaalsContact O-N 3.13Å; V233-S235 PolarHBondContact O-N 3.29Å
234N37Very low46.8Very low150 Ų150120.3 Ų120.380%0.80268%0.68SS**  trans-64.690.7175.2-103-18.2000107.8P232 N236P232-N234 PolarHBondContact O-N 2.85Å; N234-N236 PolarHBondContact O-N 3.32Å
235S37.2Very low45.8Very low101 Ų101124.4 Ų124.471%0.70671%0.705SS**  trans-68.577.2168.557.80000108.6V233V233-S235 PolarHBondContact O-N 3.29Å
236N34Very low44.6Very low148 Ų148128.9 Ų128.979%0.79173%0.727SS**  trans-164.982.2171.1-87.2-32.7000111.6N234N234-N236 PolarHBondContact O-N 3.32Å
237S33.8Very low43.8Very low111 Ų111130.1 Ų130.178%0.77674%0.737SS**  trans-16257.3153.761.30000111.8
238S37.6Very low43.1Very low106 Ų106129.9 Ų129.974%0.74175%0.748SS**  trans-99.976.3158.232.90000108.4Y240S238-Y240 PolarHBondContact O-N 3.4Å
239T32.9Very low42.2Very low130 Ų130138.1 Ų138.180%0.79879%0.793SS**  trans-7493.6167.2-21.70000107.4
240Y40.4Very low41Very low214 Ų214138.7 Ų138.784%0.83980%0.801SS**  trans-103.498.6164.4-81.6-81.2000108.3S238S238-Y240 PolarHBondContact O-N 3.4Å
241T44.9Very low39.9Very low203 Ų203139.4 Ų139.4100%1.24582%0.818SS**  trans-49.401506.60000111.1

Retrieved 241 of 241 residues in 256.5 ms (Link to these results)

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