A0A087XM53_POEFO Loading...

Translation initiation factor eIF2B subunit alpha

Acts as a component of the translation initiation factor 2B (eIF2B) complex, which catalyzes the exchange of GDP for GTP on eukaryotic initiation factor 2 (eIF2) gamma subunit. Its guanine nucleotide exchange factor activity is repressed when bound to eIF2 complex phosphorylated on the alpha subunit, thereby limiting the amount of methionyl-initiator methionine tRNA available to the ribosome and consequently global translation is repressed.

AlphaFold DB , UniProt , Accession A0A087XM53, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 302 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
1M78.4Confident88.3Confident44 Ų4477.3 Ų77.322%0.21736%0.358CS..  0141.90-67170.166.200107.3E5 L6 F33 R36M1-E5 WeakPolarHBondContact CA-OE2 3.47Å; M1-E5 WeakPolarHBondContact CB-OE2 3.32Å; M1-E5 HydrophobicContact CE-CG 4.05Å; M1-E5 WeakPolarHBondContact CG-OE2 3.25Å; M1-L6 HydrophobicContact CE-CB 4.41Å; M1-F33 HydrophobicContact CB-CD2 3.96Å; M1-F33 HydrophobicContact CB-CE2 4.27Å; M1-F33 HydrophobicContact CG-CD2 4.37Å; M1-F33 HydrophobicContact SD-CB 4.14Å; M1-F33 HydrophobicContact SD-CD2 4.13Å; M1-R36 HydrophobicContact CG-CB 4.34Å
2N85.5Confident88.6Confident126 Ų12674.1 Ų74.167%0.67436%0.355SS*.  trans-81165.1174-65.6-7.3000110.2E4 E5 L6N2-E4 VanDerWaalsContact C-N 3.34Å; N2-E4 PolarHBondContact O-N 3.02Å; N2-E5 PolarHBondContact N-OE2 3.09Å; N2-E5 PolarHBondContact O-N 3.18Å; N2-L6 PolarHBondContact O-N 2.78Å; N2-L6 VanDerWaalsContact O-N 3.12Å
3E85.6Confident88.6Confident102 Ų10270.6 Ų70.648%0.47734%0.338SS..Hα-helixtrans-56.1-46.4-179.4-178.1170.1-170.300112.2E5 L6 V7 W51 C55E3-E5 PolarHBondContact O-N 3.1Å; E3-L6 WeakPolarHBondContact O-CB 3.45Å; E3-L6 PolarHBondContact O-N 3.12Å; E3-V7 WeakPolarHBondContact O-CG2 3.33Å; E3-V7 PolarHBondContact O-N 3.22Å; E3-W51 HydrophobicContact CB-CH2 3.98Å; E3-W51 HydrophobicContact CB-CZ2 3.95Å; E3-C55 HydrophobicContact CG-CB 4.24Å
4E87.3Confident88.4Confident167 Ų16769.3 Ų69.378%0.7833%0.332SS*.Hα-helixtrans-60.6-43.1179.7-64.3178.7170.500112.3N2 L6 V7 E8N2-E4 VanDerWaalsContact C-N 3.34Å; N2-E4 PolarHBondContact O-N 3.02Å; E4-L6 VanDerWaalsContact C-N 3.3Å; E4-L6 PolarHBondContact O-N 3.37Å; E4-V7 PolarHBondContact O-N 2.95Å; E4-E8 VanDerWaalsContact O-CB 3.29Å; E4-E8 WeakPolarHBondContact O-CB 3.39Å; E4-E8 PolarHBondContact O-N 3.43Å
5E90.7Very high88.5Confident74 Ų7476.7 Ų76.735%0.34636%0.355SS..Hα-helixtrans-63.8-38178.7-169.6-168.4174.400111.2M1 N2 E3 Y9 R36M1-E5 WeakPolarHBondContact CA-OE2 3.47Å; M1-E5 WeakPolarHBondContact CB-OE2 3.32Å; M1-E5 HydrophobicContact CE-CG 4.05Å; M1-E5 WeakPolarHBondContact CG-OE2 3.25Å; N2-E5 PolarHBondContact N-OE2 3.09Å; N2-E5 PolarHBondContact O-N 3.18Å; E3-E5 PolarHBondContact O-N 3.1Å; E5-Y9 VanDerWaalsContact O-CB 3.3Å; E5-Y9 WeakPolarHBondContact O-CB 3.35Å; E5-Y9 PolarHBondContact O-N 3.27Å; E5-R36 IonicContact OE1-NH1 3.34Å; E5-R36 PolarHBondContact OE1-NH1 3.05Å
6L90.2Very high88.6Confident0 Ų082.8 Ų82.80%038%0.38CS..Hα-helixtrans-68.9-45.6179.6-172.8126.6000111.7M1 N2 E3 E4 Y9 F10 F33 A52 C55 L56M1-L6 HydrophobicContact CE-CB 4.41Å; N2-L6 PolarHBondContact O-N 2.78Å; N2-L6 VanDerWaalsContact O-N 3.12Å; E3-L6 WeakPolarHBondContact O-CB 3.45Å; E3-L6 PolarHBondContact O-N 3.12Å; E4-L6 VanDerWaalsContact C-N 3.3Å; E4-L6 PolarHBondContact O-N 3.37Å; L6-Y9 PolarHBondContact O-N 3.34Å; L6-F10 PolarHBondContact O-N 3.32Å; L6-F33 HydrophobicContact CD1-CB 4.07Å; L6-F33 HydrophobicContact CD1-CD2 3.57Å; L6-F33 HydrophobicContact CD1-CE2 4.32Å; L6-F33 HydrophobicContact CD1-CG 4.04Å; L6-A52 HydrophobicContact CD1-CB 3.84Å; L6-C55 HydrophobicContact CD2-CB 4.25Å; L6-L56 HydrophobicContact CD2-CD1 4.36Å; L6-L56 HydrophobicContact CD2-CD2 3.52Å; L6-L56 HydrophobicContact CD2-CG 3.67Å; L6-L56 HydrophobicContact CG-CD2 4.44Å
7V89.6Confident88.5Confident20 Ų2081.6 Ų81.612%0.12138%0.378CS..Hα-helixtrans-67-40.8176.8176.30000111E3 E4 F10 R11 E59E3-V7 WeakPolarHBondContact O-CG2 3.33Å; E3-V7 PolarHBondContact O-N 3.22Å; E4-V7 PolarHBondContact O-N 2.95Å; V7-F10 PolarHBondContact O-N 2.95Å; V7-R11 WeakPolarHBondContact O-CG 3.45Å; V7-R11 PolarHBondContact O-N 3.48Å; V7-E59 HydrophobicContact CG1-CG 4.17Å
8E91.8Very high88Confident125 Ų12582.1 Ų82.158%0.58439%0.389SS*.Hα-helixtrans-62.2-44.6176-174.6178.7-17200111.4E4 F10 R11 A12E4-E8 VanDerWaalsContact O-CB 3.29Å; E4-E8 WeakPolarHBondContact O-CB 3.39Å; E4-E8 PolarHBondContact O-N 3.43Å; E8-F10 VanDerWaalsContact C-N 3.32Å; E8-F10 PolarHBondContact O-N 2.88Å; E8-R11 PolarHBondContact O-N 3.41Å; E8-A12 VanDerWaalsContact O-CB 3.32Å; E8-A12 WeakPolarHBondContact O-CB 3.49Å; E8-A12 PolarHBondContact O-N 3.2Å
9Y91.9Very high87.6Confident65 Ų6581.5 Ų81.526%0.25539%0.389SS..Hα-helixtrans-61.4-41.5176.7-172.6-101.6000111.4E5 L6 A12 Q13 T29 E32E5-Y9 VanDerWaalsContact O-CB 3.3Å; E5-Y9 WeakPolarHBondContact O-CB 3.35Å; E5-Y9 PolarHBondContact O-N 3.27Å; L6-Y9 PolarHBondContact O-N 3.34Å; Y9-A12 PolarHBondContact O-N 3.29Å; Y9-Q13 HydrophobicContact CD1-CG 4.37Å; Y9-Q13 HydrophobicContact CE1-CG 4.02Å; Y9-Q13 WeakPolarHBondContact O-CG 2.97Å; Y9-Q13 PolarHBondContact O-N 3.11Å; Y9-Q13 PolarHBondContact OH-NE2 3.03Å; Y9-T29 HydrophobicContact CD1-CG2 3.39Å; Y9-T29 HydrophobicContact CE1-CG2 3.9Å; Y9-T29 HydrophobicContact CG-CG2 4.46Å; Y9-E32 HydrophobicContact CE1-CB 3.95Å; Y9-E32 HydrophobicContact CE1-CG 4.17Å; Y9-E32 HydrophobicContact CE2-CG 4.5Å
10F90.6Very high87.4Confident8 Ų878.6 Ų78.64%0.03538%0.375CS..Hα-helixtrans-60.8-49.5175173.9-106.4000112.1L6 V7 E8 A12 Q13 M14 S22 A25 A26 T29 L56 E59 D60L6-F10 PolarHBondContact O-N 3.32Å; V7-F10 PolarHBondContact O-N 2.95Å; E8-F10 VanDerWaalsContact C-N 3.32Å; E8-F10 PolarHBondContact O-N 2.88Å; F10-A12 VanDerWaalsContact C-N 3.27Å; F10-A12 PolarHBondContact O-N 2.99Å; F10-Q13 PolarHBondContact O-N 3.17Å; F10-M14 HydrophobicContact CE2-CG 4.38Å; F10-M14 HydrophobicContact CZ-CG 4.27Å; F10-M14 PolarHBondContact O-N 3.4Å; F10-M14 VanDerWaalsContact O-N 3.12Å; F10-S22 WeakPolarHBondContact CZ-OG 3.37Å; F10-A25 HydrophobicContact CD2-CB 4.05Å; F10-A25 HydrophobicContact CE2-CB 3.83Å; F10-A26 HydrophobicContact CD2-CB 4.43Å; F10-A26 HydrophobicContact CE2-CB 4.05Å; F10-T29 VanDerWaalsContact CA-CG2 3.43Å; F10-T29 HydrophobicContact CB-CG2 3.66Å; F10-T29 HydrophobicContact CD2-CG2 4.1Å; F10-T29 HydrophobicContact CG-CG2 4.4Å; F10-L56 HydrophobicContact CB-CD2 3.77Å; F10-L56 HydrophobicContact CD1-CD2 4.39Å; F10-L56 HydrophobicContact CD2-CD2 4.11Å; F10-L56 HydrophobicContact CG-CD2 3.84Å; F10-E59 HydrophobicContact CD1-CG 4.28Å; F10-E59 HydrophobicContact CE1-CG 4.23Å; F10-D60 HydrophobicContact CE1-CB 4.45Å; F10-D60 HydrophobicContact CZ-CB 4.36Å
11R89.5Confident87.4Confident119 Ų11975.3 Ų75.345%0.44936%0.362SS..Hα-helixtrans-62-34.4175.5-71.4177.7176.2168.61.4112.3V7 E8 R15 E59V7-R11 WeakPolarHBondContact O-CG 3.45Å; V7-R11 PolarHBondContact O-N 3.48Å; E8-R11 PolarHBondContact O-N 3.41Å; R11-R15 WeakPolarHBondContact O-CG 3.46Å; R11-R15 PolarHBondContact O-N 2.78Å; R11-R15 VanDerWaalsContact O-N 3.09Å; R11-R15 PolarHBondContact O-NE 2.87Å; R11-E59 IonicContact CZ-OE1 2.81Å; R11-E59 IonicContact CZ-OE2 2.74Å; R11-E59 IonicContact NE-OE1 2.8Å; R11-E59 PolarHBondContact NE-OE1 2.93Å; R11-E59 IonicContact NE-OE2 2.81Å; R11-E59 IonicContact NH2-OE1 3.23Å; R11-E59 PolarHBondContact NH2-OE1 3.47Å; R11-E59 IonicContact NH2-OE2 3.13Å; R11-E59 PolarHBondContact NH2-OE2 3.25Å
12A91.9Very high87.9Confident39 Ų3974 Ų7432%0.32236%0.356SS..Hα-helixtrans-67.4-40.9176.400000111.9E8 Y9 F10 R15 K16E8-A12 VanDerWaalsContact O-CB 3.32Å; E8-A12 WeakPolarHBondContact O-CB 3.49Å; E8-A12 PolarHBondContact O-N 3.2Å; Y9-A12 PolarHBondContact O-N 3.29Å; F10-A12 VanDerWaalsContact C-N 3.27Å; F10-A12 PolarHBondContact O-N 2.99Å; A12-R15 PolarHBondContact O-N 3.26Å; A12-K16 WeakPolarHBondContact O-CB 3.37Å; A12-K16 PolarHBondContact O-N 3.28Å
13Q88.6Confident88Confident29 Ų2968 Ų6814%0.13633%0.325CS..Hα-helixtrans-62.1-45.1175.1-68.6-57.7-42.400111.8Y9 F10 R15 K16 D17 A25Y9-Q13 HydrophobicContact CD1-CG 4.37Å; Y9-Q13 HydrophobicContact CE1-CG 4.02Å; Y9-Q13 WeakPolarHBondContact O-CG 2.97Å; Y9-Q13 PolarHBondContact O-N 3.11Å; Y9-Q13 PolarHBondContact OH-NE2 3.03Å; F10-Q13 PolarHBondContact O-N 3.17Å; Q13-R15 VanDerWaalsContact C-N 3.3Å; Q13-R15 PolarHBondContact O-N 2.87Å; Q13-K16 PolarHBondContact O-N 2.81Å; Q13-K16 VanDerWaalsContact O-N 3.15Å; Q13-D17 PolarHBondContact O-N 2.97Å; Q13-D17 VanDerWaalsContact O-N 3.13Å; Q13-A25 HydrophobicContact CB-CB 4.24Å
14M86.3Confident88.3Confident52 Ų5263.6 Ų63.626%0.25631%0.305SS..Hα-helixtrans-64.2-33.4178.2-68.3-63.6-66.500112.9F10 D17 A25F10-M14 HydrophobicContact CE2-CG 4.38Å; F10-M14 HydrophobicContact CZ-CG 4.27Å; F10-M14 PolarHBondContact O-N 3.4Å; F10-M14 VanDerWaalsContact O-N 3.12Å; M14-D17 CarbonylContact O-C 3.51Å; M14-A25 HydrophobicContact CG-CB 4.06Å; M14-A25 HydrophobicContact SD-CB 3.54Å; M14-A25 VanDerWaalsContact SD-CB 3.54Å
15R89.4Confident88.5Confident180 Ų18055.7 Ų55.768%0.67927%0.268SS*.Hα-helixtrans-71.2-34.1173.5-77.5-178.2-75.8169.3-4.2112.8R11 A12 Q13R11-R15 WeakPolarHBondContact O-CG 3.46Å; R11-R15 PolarHBondContact O-N 2.78Å; R11-R15 VanDerWaalsContact O-N 3.09Å; R11-R15 PolarHBondContact O-NE 2.87Å; A12-R15 PolarHBondContact O-N 3.26Å; Q13-R15 VanDerWaalsContact C-N 3.3Å; Q13-R15 PolarHBondContact O-N 2.87Å
16K90.2Very high88.5Confident174 Ų17452.2 Ų52.276%0.75725%0.251SS*.Hα-helixtrans-71.1-39.4-178.5-172.9178.9179.1-178.40112.1A12 Q13A12-K16 WeakPolarHBondContact O-CB 3.37Å; A12-K16 PolarHBondContact O-N 3.28Å; Q13-K16 PolarHBondContact O-N 2.81Å; Q13-K16 VanDerWaalsContact O-N 3.15Å
17D86.7Confident88.7Confident63 Ų6352.2 Ų52.234%0.33725%0.251SS..  trans-134.697.6178.8-174.7-2.2000111.1Q13 M14 D19 M20Q13-D17 PolarHBondContact O-N 2.97Å; Q13-D17 VanDerWaalsContact O-N 3.13Å; M14-D17 CarbonylContact O-C 3.51Å; D17-D19 PolarHBondContact O-N 3.34Å; D17-D19 WeakPolarHBondContact OD1-CB 3.22Å; D17-D19 PolarHBondContact OD1-N 2.96Å; D17-M20 HydrophobicContact CB-CB 4.08Å; D17-M20 HydrophobicContact CB-CE 4.18Å; D17-M20 WeakPolarHBondContact O-CB 3.22Å; D17-M20 PolarHBondContact O-N 3.45Å; D17-M20 PolarHBondContact OD1-N 2.8Å
18P79.3Confident88.8Confident90 Ų9055.2 Ų55.258%0.58426%0.261SS*.THydrogen-bonded Turntrans-69.9-17.1-179.728.9-34.4000113.4M20 R132P18-M20 VanDerWaalsContact C-N 3.35Å; P18-R132 PolarHBondContact O-NH2 3.09Å
19D80.4Confident88.9Confident71 Ų7149.3 Ų49.338%0.3823%0.233SC..THydrogen-bonded Turntrans-86.8-8178-87.50.5000112.7D17 R108 R132 R136D17-D19 PolarHBondContact O-N 3.34Å; D17-D19 WeakPolarHBondContact OD1-CB 3.22Å; D17-D19 PolarHBondContact OD1-N 2.96Å; D19-R108 PolarHBondContact O-NH1 3.03Å; D19-R108 PolarHBondContact O-NH2 3.06Å; D19-R108 VanDerWaalsContact O-NH2 3.12Å; D19-R132 WeakPolarHBondContact O-CD 3.46Å; D19-R136 IonicContact OD2-NH2 3.5Å
20M85Confident88.9Confident23 Ų2346.2 Ų46.211%0.11322%0.221CC..SBendtrans-67.9138173.5-166.9169.1-65.200110.4D17 P18 V24 A25 R132D17-M20 HydrophobicContact CB-CB 4.08Å; D17-M20 HydrophobicContact CB-CE 4.18Å; D17-M20 WeakPolarHBondContact O-CB 3.22Å; D17-M20 PolarHBondContact O-N 3.45Å; D17-M20 PolarHBondContact OD1-N 2.8Å; P18-M20 VanDerWaalsContact C-N 3.35Å; M20-V24 HydrophobicContact CG-CB 3.9Å; M20-V24 HydrophobicContact CG-CG1 4.13Å; M20-V24 HydrophobicContact SD-CB 4.33Å; M20-V24 HydrophobicContact SD-CG1 4.13Å; M20-A25 HydrophobicContact SD-CB 4.06Å; M20-R132 PolarHBondContact O-NH2 3.4Å
21A86.3Confident89Confident11 Ų1146 Ų469%0.09122%0.22CC..  trans-75.9142.317300000109.2A23 V24 A25A21-A23 VanDerWaalsContact C-N 3.27Å; A21-A23 PolarHBondContact O-N 3.41Å; A21-V24 HydrophobicContact CB-CG2 4.02Å; A21-V24 WeakPolarHBondContact O-CA 3.44Å; A21-V24 WeakPolarHBondContact O-CB 3.22Å; A21-V24 PolarHBondContact O-N 2.75Å; A21-A25 PolarHBondContact O-N 2.88Å
22S88.5Confident89.2Confident15 Ų1542.3 Ų42.311%0.10521%0.208CC..Hα-helixtrans-52.9-43.6-177.81770000112.7F10 V24 A25 A26 D60 V65F10-S22 WeakPolarHBondContact CZ-OG 3.37Å; S22-V24 VanDerWaalsContact C-N 3.29Å; S22-V24 PolarHBondContact O-N 3.08Å; S22-A25 WeakPolarHBondContact O-CB 3.34Å; S22-A25 PolarHBondContact O-N 3.06Å; S22-A25 VanDerWaalsContact O-N 3.1Å; S22-A26 PolarHBondContact O-N 2.75Å; S22-D60 VanDerWaalsContact CB-OD2 3.32Å; S22-D60 WeakPolarHBondContact CB-OD2 3.47Å; S22-D60 PolarHBondContact OG-OD2 3.32Å; S22-V65 VanDerWaalsContact OG-CG2 3.28Å; S22-V65 WeakPolarHBondContact OG-CG2 3.32Å
23A88.8Confident89.2Confident1 Ų140.9 Ų40.91%0.00820%0.195CC..Hα-helixtrans-57.4-37.217500000113.8A21 A26 I27 A64 F233A21-A23 VanDerWaalsContact C-N 3.27Å; A21-A23 PolarHBondContact O-N 3.41Å; A23-A26 PolarHBondContact O-N 3.32Å; A23-I27 WeakPolarHBondContact O-CD1 3.39Å; A23-I27 VanDerWaalsContact O-CG1 3.24Å; A23-I27 WeakPolarHBondContact O-CG1 3.48Å; A23-I27 PolarHBondContact O-N 3.31Å; A23-A64 HydrophobicContact CB-CB 3.89Å; A23-A64 VanDerWaalsContact CB-O 3.28Å; A23-A64 WeakPolarHBondContact CB-O 3.15Å; A23-F233 HydrophobicContact CB-CD2 3.84Å; A23-F233 HydrophobicContact CB-CE2 3.61Å
24V90.7Very high89.3Confident10 Ų1039.5 Ų39.56%0.06119%0.188CC..Hα-helixtrans-69.5-39.8178-173.20000110.6M20 A21 S22 A26 I27 R28 L101 I104 F233M20-V24 HydrophobicContact CG-CB 3.9Å; M20-V24 HydrophobicContact CG-CG1 4.13Å; M20-V24 HydrophobicContact SD-CB 4.33Å; M20-V24 HydrophobicContact SD-CG1 4.13Å; A21-V24 HydrophobicContact CB-CG2 4.02Å; A21-V24 WeakPolarHBondContact O-CA 3.44Å; A21-V24 WeakPolarHBondContact O-CB 3.22Å; A21-V24 PolarHBondContact O-N 2.75Å; S22-V24 VanDerWaalsContact C-N 3.29Å; S22-V24 PolarHBondContact O-N 3.08Å; V24-A26 VanDerWaalsContact C-N 3.35Å; V24-I27 PolarHBondContact O-N 3.03Å; V24-R28 WeakPolarHBondContact O-CG 3.35Å; V24-R28 PolarHBondContact O-N 3.24Å; V24-L101 HydrophobicContact CG1-CD1 3.74Å; V24-I104 HydrophobicContact CG2-CG2 3.5Å; V24-F233 HydrophobicContact CG2-CZ 4.5Å
25A91.6Very high89.5Confident0 Ų040.7 Ų40.70%019%0.192CC..Hα-helixtrans-63.5-42.4173.900000111.1F10 Q13 M14 M20 A21 S22 I27 R28 T29F10-A25 HydrophobicContact CD2-CB 4.05Å; F10-A25 HydrophobicContact CE2-CB 3.83Å; Q13-A25 HydrophobicContact CB-CB 4.24Å; M14-A25 HydrophobicContact CG-CB 4.06Å; M14-A25 HydrophobicContact SD-CB 3.54Å; M14-A25 VanDerWaalsContact SD-CB 3.54Å; M20-A25 HydrophobicContact SD-CB 4.06Å; A21-A25 PolarHBondContact O-N 2.88Å; S22-A25 WeakPolarHBondContact O-CB 3.34Å; S22-A25 PolarHBondContact O-N 3.06Å; S22-A25 VanDerWaalsContact O-N 3.1Å; A25-I27 PolarHBondContact O-N 2.98Å; A25-R28 WeakPolarHBondContact O-CB 3.26Å; A25-R28 PolarHBondContact O-N 3.46Å; A25-T29 WeakPolarHBondContact O-CG2 3.35Å; A25-T29 PolarHBondContact O-N 3.41Å
26A92.3Very high89.5Confident1 Ų137.6 Ų37.61%0.00818%0.18CC..Hα-helixtrans-62.3-40.8175.600000112.4F10 S22 A23 V24 T29 L30 L56 V65F10-A26 HydrophobicContact CD2-CB 4.43Å; F10-A26 HydrophobicContact CE2-CB 4.05Å; S22-A26 PolarHBondContact O-N 2.75Å; A23-A26 PolarHBondContact O-N 3.32Å; V24-A26 VanDerWaalsContact C-N 3.35Å; A26-T29 WeakPolarHBondContact CA-OG1 3.45Å; A26-T29 PolarHBondContact O-N 2.72Å; A26-T29 PolarHBondContact O-OG1 3.23Å; A26-L30 VanDerWaalsContact O-CG 3.27Å; A26-L30 WeakPolarHBondContact O-CG 3.21Å; A26-L30 PolarHBondContact O-N 3.4Å; A26-L56 HydrophobicContact CB-CD1 4.01Å; A26-V65 HydrophobicContact CB-CG1 3.84Å; A26-V65 HydrophobicContact CB-CG2 4.31Å
27I92.6Very high89.2Confident0 Ų030.6 Ų30.60%015%0.151CC..Hα-helixtrans-67.6-39176.7-69.1159.8000110.9A23 V24 A25 T29 L30 L31 F72 F100 L101 I104A23-I27 WeakPolarHBondContact O-CD1 3.39Å; A23-I27 VanDerWaalsContact O-CG1 3.24Å; A23-I27 WeakPolarHBondContact O-CG1 3.48Å; A23-I27 PolarHBondContact O-N 3.31Å; V24-I27 PolarHBondContact O-N 3.03Å; A25-I27 PolarHBondContact O-N 2.98Å; I27-T29 VanDerWaalsContact C-N 3.31Å; I27-T29 PolarHBondContact O-N 3.15Å; I27-L30 PolarHBondContact O-N 2.69Å; I27-L31 WeakPolarHBondContact O-CB 3.39Å; I27-L31 PolarHBondContact O-N 2.76Å; I27-F72 HydrophobicContact CG1-CB 4.39Å; I27-F72 HydrophobicContact CG2-CD2 3.77Å; I27-F72 HydrophobicContact CG2-CE2 4.11Å; I27-F72 HydrophobicContact CG2-CG 4.35Å; I27-F100 HydrophobicContact CD1-CD1 4.38Å; I27-F100 HydrophobicContact CD1-CE1 3.67Å; I27-F100 HydrophobicContact CG1-CE1 4.27Å; I27-F100 HydrophobicContact CG2-CD1 3.97Å; I27-F100 HydrophobicContact CG2-CE1 4.25Å; I27-L101 HydrophobicContact CG2-CD1 4.33Å; I27-I104 HydrophobicContact CD1-CD1 3.41Å; I27-I104 VanDerWaalsContact CD1-CD1 3.41Å
28R92.9Very high88.9Confident84 Ų8436.9 Ų36.932%0.31718%0.176SC..Hα-helixtrans-60.8-40.6173.5-75.7178.2-176.1-85.1-4.6111.8V24 A25 L31 E32 L101V24-R28 WeakPolarHBondContact O-CG 3.35Å; V24-R28 PolarHBondContact O-N 3.24Å; A25-R28 WeakPolarHBondContact O-CB 3.26Å; A25-R28 PolarHBondContact O-N 3.46Å; R28-L31 PolarHBondContact O-N 3.34Å; R28-E32 PolarHBondContact O-N 3.1Å; R28-L101 HydrophobicContact CG-CD1 3.62Å; R28-L101 HydrophobicContact CG-CD2 3.64Å; R28-L101 HydrophobicContact CG-CG 4.27Å
29T93.4Very high88.6Confident0 Ų034.3 Ų34.30%017%0.165CC..Hα-helixtrans-69.6-40.8178.362.50000111.9Y9 F10 A25 A26 I27 L31 E32 F33 L56Y9-T29 HydrophobicContact CD1-CG2 3.39Å; Y9-T29 HydrophobicContact CE1-CG2 3.9Å; Y9-T29 HydrophobicContact CG-CG2 4.46Å; F10-T29 VanDerWaalsContact CA-CG2 3.43Å; F10-T29 HydrophobicContact CB-CG2 3.66Å; F10-T29 HydrophobicContact CD2-CG2 4.1Å; F10-T29 HydrophobicContact CG-CG2 4.4Å; A25-T29 WeakPolarHBondContact O-CG2 3.35Å; A25-T29 PolarHBondContact O-N 3.41Å; A26-T29 WeakPolarHBondContact CA-OG1 3.45Å; A26-T29 PolarHBondContact O-N 2.72Å; A26-T29 PolarHBondContact O-OG1 3.23Å; I27-T29 VanDerWaalsContact C-N 3.31Å; I27-T29 PolarHBondContact O-N 3.15Å; T29-L31 VanDerWaalsContact C-N 3.32Å; T29-L31 PolarHBondContact O-N 3.48Å; T29-E32 PolarHBondContact O-N 2.91Å; T29-F33 WeakPolarHBondContact O-CB 3.34Å; T29-F33 PolarHBondContact O-N 3.15Å; T29-L56 WeakPolarHBondContact OG1-CD1 3.36Å
30L92.6Very high88.2Confident1 Ų139.2 Ų39.21%0.00519%0.186CC..Hα-helixtrans-63.6-36.8174-69.4173.2000112.4A26 I27 F33 L34 L49 A52 L56 F72A26-L30 VanDerWaalsContact O-CG 3.27Å; A26-L30 WeakPolarHBondContact O-CG 3.21Å; A26-L30 PolarHBondContact O-N 3.4Å; I27-L30 PolarHBondContact O-N 2.69Å; L30-F33 WeakPolarHBondContact O-CB 3.38Å; L30-F33 PolarHBondContact O-N 3.34Å; L30-L34 WeakPolarHBondContact O-CB 3.44Å; L30-L34 PolarHBondContact O-N 3.03Å; L30-L49 HydrophobicContact CD2-CD2 4.46Å; L30-A52 HydrophobicContact CD2-CB 3.72Å; L30-L56 HydrophobicContact CD1-CD1 4.47Å; L30-L56 HydrophobicContact CD2-CD1 4.03Å; L30-L56 HydrophobicContact CG-CD1 3.93Å; L30-F72 HydrophobicContact CB-CD1 3.99Å; L30-F72 HydrophobicContact CB-CE1 3.78Å; L30-F72 HydrophobicContact CD1-CD1 4.14Å
31L93.1Very high88.1Confident3 Ų342 Ų422%0.01620%0.204CC..Hα-helixtrans-68.2-41175.9-176.655.4000112.2I27 R28 T29 F33 L34 K35 F72 E98 L101I27-L31 WeakPolarHBondContact O-CB 3.39Å; I27-L31 PolarHBondContact O-N 2.76Å; R28-L31 PolarHBondContact O-N 3.34Å; T29-L31 VanDerWaalsContact C-N 3.32Å; T29-L31 PolarHBondContact O-N 3.48Å; L31-F33 VanDerWaalsContact C-N 3.33Å; L31-L34 HydrophobicContact CD1-CD2 4.31Å; L31-L34 WeakPolarHBondContact O-CB 3.21Å; L31-L34 PolarHBondContact O-N 3.34Å; L31-K35 WeakPolarHBondContact O-CG 3.37Å; L31-K35 PolarHBondContact O-N 3.38Å; L31-K35 VanDerWaalsContact O-N 3.08Å; L31-F72 HydrophobicContact CB-CE2 4.5Å; L31-F72 HydrophobicContact CB-CZ 4.14Å; L31-F72 HydrophobicContact CD1-CZ 4.2Å; L31-E98 VanDerWaalsContact CD2-CD 3.43Å; L31-E98 HydrophobicContact CD2-CG 4.03Å; L31-E98 WeakPolarHBondContact CD2-OE1 3.47Å; L31-L101 HydrophobicContact CD2-CD2 4.2Å
32E92.8Very high87.9Confident42 Ų4244.5 Ų44.520%0.19622%0.215CC..Hα-helixtrans-65.5-38.9173.5-174.362.1-164.200111.5Y9 R28 T29 K35 R36Y9-E32 HydrophobicContact CE1-CB 3.95Å; Y9-E32 HydrophobicContact CE1-CG 4.17Å; Y9-E32 HydrophobicContact CE2-CG 4.5Å; R28-E32 PolarHBondContact O-N 3.1Å; T29-E32 PolarHBondContact O-N 2.91Å; E32-K35 PolarHBondContact O-N 3.27Å; E32-R36 WeakPolarHBondContact O-CG 3.48Å; E32-R36 PolarHBondContact O-N 3.48Å; E32-R36 VanDerWaalsContact O-N 3.16Å; E32-R36 IonicContact OE1-CZ 2.69Å; E32-R36 VanDerWaalsContact OE1-CZ 3.23Å; E32-R36 IonicContact OE1-NE 2.93Å; E32-R36 PolarHBondContact OE1-NE 3.4Å; E32-R36 IonicContact OE1-NH2 2.55Å; E32-R36 PolarHBondContact OE1-NH2 3.49Å
33F92.5Very high87.6Confident9 Ų948.6 Ų48.64%0.03924%0.235CC..Hα-helixtrans-59.9-46.7173.1-179.8-90.5000111.5M1 L6 T29 L30 L31 K35 R36 D37 L49 W51 A52M1-F33 HydrophobicContact CB-CD2 3.96Å; M1-F33 HydrophobicContact CB-CE2 4.27Å; M1-F33 HydrophobicContact CG-CD2 4.37Å; M1-F33 HydrophobicContact SD-CB 4.14Å; M1-F33 HydrophobicContact SD-CD2 4.13Å; L6-F33 HydrophobicContact CD1-CB 4.07Å; L6-F33 HydrophobicContact CD1-CD2 3.57Å; L6-F33 HydrophobicContact CD1-CE2 4.32Å; L6-F33 HydrophobicContact CD1-CG 4.04Å; T29-F33 WeakPolarHBondContact O-CB 3.34Å; T29-F33 PolarHBondContact O-N 3.15Å; L30-F33 WeakPolarHBondContact O-CB 3.38Å; L30-F33 PolarHBondContact O-N 3.34Å; L31-F33 VanDerWaalsContact C-N 3.33Å; F33-K35 VanDerWaalsContact C-N 3.34Å; F33-K35 PolarHBondContact O-N 3.22Å; F33-R36 PolarHBondContact O-N 3.27Å; F33-D37 PolarHBondContact O-N 3.18Å; F33-L49 HydrophobicContact CD1-CD2 3.65Å; F33-L49 HydrophobicContact CD1-CG 4.35Å; F33-L49 HydrophobicContact CE1-CD2 4.2Å; F33-L49 HydrophobicContact CE1-CG 4.43Å; F33-W51 HydrophobicContact CE2-CZ3 4.2Å; F33-W51 HydrophobicContact CZ-CZ3 4.46Å; F33-A52 HydrophobicContact CD1-CB 4.34Å; F33-A52 HydrophobicContact CD2-CB 4.5Å; F33-A52 HydrophobicContact CE1-CB 4.34Å; F33-A52 HydrophobicContact CG-CB 4.41Å; F33-A52 HydrophobicContact CZ-CB 4.43Å
34L90.3Very high87.4Confident0 Ų049.6 Ų49.60%025%0.245CC..Hα-helixtrans-56.9-44.7176.3173.461.1000111.9L30 L31 R36 D37 L45 L49 F72 I76 K90 M93 E94L30-L34 WeakPolarHBondContact O-CB 3.44Å; L30-L34 PolarHBondContact O-N 3.03Å; L31-L34 HydrophobicContact CD1-CD2 4.31Å; L31-L34 WeakPolarHBondContact O-CB 3.21Å; L31-L34 PolarHBondContact O-N 3.34Å; L34-R36 VanDerWaalsContact C-N 3.33Å; L34-R36 PolarHBondContact O-N 3.44Å; L34-D37 PolarHBondContact O-N 2.95Å; L34-L45 HydrophobicContact CD1-CD1 3.71Å; L34-L45 HydrophobicContact CD1-CD2 3.72Å; L34-L45 HydrophobicContact CD1-CG 4.2Å; L34-L49 HydrophobicContact CB-CD2 4.42Å; L34-L49 HydrophobicContact CD1-CD1 4.4Å; L34-F72 HydrophobicContact CD2-CZ 4.49Å; L34-I76 HydrophobicContact CD2-CD1 4.34Å; L34-K90 WeakPolarHBondContact O-CE 3.42Å; L34-K90 PolarHBondContact O-NZ 3.49Å; L34-M93 HydrophobicContact CD2-CB 4.11Å; L34-E94 HydrophobicContact CD2-CG 4.29Å; L34-E94 HydrophobicContact CG-CG 4.21Å
35K90Very high87.2Confident77 Ų7749.5 Ų49.534%0.33525%0.245SC..Hα-helixtrans-60.7-42.5178.3-72173.2-176.8176.10112.1L31 E32 F33 K90 E94 E98L31-K35 WeakPolarHBondContact O-CG 3.37Å; L31-K35 PolarHBondContact O-N 3.38Å; L31-K35 VanDerWaalsContact O-N 3.08Å; E32-K35 PolarHBondContact O-N 3.27Å; F33-K35 VanDerWaalsContact C-N 3.34Å; F33-K35 PolarHBondContact O-N 3.22Å; K35-K90 PolarHBondContact O-NZ 3.41Å; K35-E94 HydrophobicContact CG-CG 4.02Å; K35-E98 WeakPolarHBondContact CE-OE1 3.31Å; K35-E98 IonicContact NZ-OE1 3.87Å; K35-E98 PolarHBondContact NZ-OE1 3.04Å
36R89.3Confident86.9Confident114 Ų11455.4 Ų55.443%0.4327%0.267SS..Hα-helixtrans-81.5-14.4-177.9-65.3-175.9-170.7-169.92.8114.4M1 E5 E32 F33 L34M1-R36 HydrophobicContact CG-CB 4.34Å; E5-R36 IonicContact OE1-NH1 3.34Å; E5-R36 PolarHBondContact OE1-NH1 3.05Å; E32-R36 WeakPolarHBondContact O-CG 3.48Å; E32-R36 PolarHBondContact O-N 3.48Å; E32-R36 VanDerWaalsContact O-N 3.16Å; E32-R36 IonicContact OE1-CZ 2.69Å; E32-R36 VanDerWaalsContact OE1-CZ 3.23Å; E32-R36 IonicContact OE1-NE 2.93Å; E32-R36 PolarHBondContact OE1-NE 3.4Å; E32-R36 IonicContact OE1-NH2 2.55Å; E32-R36 PolarHBondContact OE1-NH2 3.49Å; F33-R36 PolarHBondContact O-N 3.27Å; L34-R36 VanDerWaalsContact C-N 3.33Å; L34-R36 PolarHBondContact O-N 3.44Å
37D85.1Confident86.7Confident27 Ų2760.7 Ų60.714%0.14429%0.291CS..  trans-62.4138.3-177.3-172.864.4000111.8F33 L34 G39 L45 K90F33-D37 PolarHBondContact O-N 3.18Å; L34-D37 PolarHBondContact O-N 2.95Å; D37-G39 WeakPolarHBondContact OD2-CA 3.47Å; D37-G39 PolarHBondContact OD2-N 2.94Å; D37-L45 HydrophobicContact CB-CD1 3.98Å; D37-L45 WeakPolarHBondContact OD2-CD1 3.11Å; D37-K90 PolarHBondContact O-NZ 3.36Å
38K78.8Confident86.6Confident196 Ų19662.6 Ų62.685%0.85231%0.305SS*.  trans-110.213.2-179.7-65.3-177.5-178.3178.90112.1
39G73.3Confident86.5Confident35 Ų3558.7 Ų58.736%0.36129%0.29SS..  trans-59.9142.5-17700000112.6D37D37-G39 WeakPolarHBondContact OD2-CA 3.47Å; D37-G39 PolarHBondContact OD2-N 2.94Å
40E72.5Confident86.3Confident175 Ų17561.8 Ų61.882%0.81831%0.309SS*.SBendtrans-95.4-6.2-178.5-62.9-176.8166.900113.1L86E40-L86 WeakPolarHBondContact O-CD2 3.38Å
41T82.7Confident86.3Confident81 Ų8166.9 Ų66.950%0.49733%0.329SS..SBendtrans-134.8148.7-178.569.30000112L43 G44 L45T41-L43 VanDerWaalsContact C-N 3.32Å; T41-L43 PolarHBondContact O-N 3.42Å; T41-G44 PolarHBondContact O-N 2.94Å; T41-G44 PolarHBondContact OG1-N 2.83Å; T41-G44 VanDerWaalsContact OG1-N 3.08Å; T41-L45 WeakPolarHBondContact O-CB 3.42Å; T41-L45 PolarHBondContact O-N 3.28Å
42I81.2Confident86.3Confident63 Ų6366.8 Ų66.832%0.32333%0.328SS..Hα-helixtrans-64.5-39.4177.4-61.5173000110.8L45 R46 L86I42-L45 PolarHBondContact O-N 3.21Å; I42-R46 WeakPolarHBondContact O-CB 3.08Å; I42-R46 PolarHBondContact O-N 3.47Å; I42-L86 HydrophobicContact CG1-CD1 3.67Å
43L83Confident86.2Confident102 Ų10265.3 Ų65.353%0.53432%0.322SS..Hα-helixtrans-64.8-46.2178.1-176.962.7000111.2T41 L45 R46 E47T41-L43 VanDerWaalsContact C-N 3.32Å; T41-L43 PolarHBondContact O-N 3.42Å; L43-L45 VanDerWaalsContact C-N 3.35Å; L43-L45 PolarHBondContact O-N 2.82Å; L43-R46 WeakPolarHBondContact O-CB 3.3Å; L43-R46 PolarHBondContact O-N 3.43Å; L43-R46 VanDerWaalsContact O-N 3.17Å; L43-E47 WeakPolarHBondContact O-CG 3.41Å; L43-E47 PolarHBondContact O-N 2.77Å
44G85.1Confident86.1Confident21 Ų2167.7 Ų67.722%0.21634%0.343CS..Hα-helixtrans-61.7-41.5176.300000112.2T41 R46 E47 S48T41-G44 PolarHBondContact O-N 2.94Å; T41-G44 PolarHBondContact OG1-N 2.83Å; T41-G44 VanDerWaalsContact OG1-N 3.08Å; G44-R46 VanDerWaalsContact C-N 3.32Å; G44-R46 PolarHBondContact O-N 3.05Å; G44-E47 PolarHBondContact O-N 3.02Å; G44-S48 WeakPolarHBondContact O-CB 3.39Å; G44-S48 PolarHBondContact O-N 3.23Å; G44-S48 PolarHBondContact O-OG 3.39Å; G44-S48 VanDerWaalsContact O-OG 3.07Å
45L85.4Confident86.1Confident9 Ų968.2 Ų68.25%0.04735%0.346CS..Hα-helixtrans-60.6-41.9174.3175.663.2000111.9L34 D37 T41 I42 L43 S48 L49 M93L34-L45 HydrophobicContact CD1-CD1 3.71Å; L34-L45 HydrophobicContact CD1-CD2 3.72Å; L34-L45 HydrophobicContact CD1-CG 4.2Å; D37-L45 HydrophobicContact CB-CD1 3.98Å; D37-L45 WeakPolarHBondContact OD2-CD1 3.11Å; T41-L45 WeakPolarHBondContact O-CB 3.42Å; T41-L45 PolarHBondContact O-N 3.28Å; I42-L45 PolarHBondContact O-N 3.21Å; L43-L45 VanDerWaalsContact C-N 3.35Å; L43-L45 PolarHBondContact O-N 2.82Å; L45-S48 PolarHBondContact O-N 2.88Å; L45-L49 HydrophobicContact CD1-CD1 4.02Å; L45-L49 HydrophobicContact CD1-CG 4.27Å; L45-L49 HydrophobicContact CG-CD1 4.03Å; L45-L49 WeakPolarHBondContact O-CB 3.36Å; L45-L49 WeakPolarHBondContact O-CG 3.43Å; L45-L49 PolarHBondContact O-N 3.48Å; L45-M93 HydrophobicContact CD2-CE 3.79Å; L45-M93 HydrophobicContact CD2-SD 3.92Å
46R86.6Confident86Confident123 Ų12364.5 Ų64.546%0.46433%0.331SS..Hα-helixtrans-63.5-44.6177.5-165.7178.175.2105.31.8111.3I42 L43 G44 L49 T50I42-R46 WeakPolarHBondContact O-CB 3.08Å; I42-R46 PolarHBondContact O-N 3.47Å; L43-R46 WeakPolarHBondContact O-CB 3.3Å; L43-R46 PolarHBondContact O-N 3.43Å; L43-R46 VanDerWaalsContact O-N 3.17Å; G44-R46 VanDerWaalsContact C-N 3.32Å; G44-R46 PolarHBondContact O-N 3.05Å; R46-L49 PolarHBondContact O-N 2.72Å; R46-T50 WeakPolarHBondContact O-CG2 3.44Å; R46-T50 PolarHBondContact O-N 3.14Å; R46-T50 PolarHBondContact O-OG1 2.73Å
47E88.7Confident85.9Confident112 Ų11261.4 Ų61.452%0.52332%0.321SS..Hα-helixtrans-61.2-46.8175.9-72.8178.1173.700111.5L43 G44 L49 T50 W51L43-E47 WeakPolarHBondContact O-CG 3.41Å; L43-E47 PolarHBondContact O-N 2.77Å; G44-E47 PolarHBondContact O-N 3.02Å; E47-L49 VanDerWaalsContact C-N 3.32Å; E47-L49 PolarHBondContact O-N 2.93Å; E47-T50 WeakPolarHBondContact CA-OG1 3.34Å; E47-T50 PolarHBondContact O-N 3.25Å; E47-T50 PolarHBondContact O-OG1 2.99Å; E47-W51 WeakPolarHBondContact O-CB 3.25Å; E47-W51 PolarHBondContact O-N 2.84Å
48S90Very high85.8Confident41 Ų4161.6 Ų61.629%0.28733%0.33SS..Hα-helixtrans-57.3-42.2175.7-67.60000112.7G44 L45 W51 A52G44-S48 WeakPolarHBondContact O-CB 3.39Å; G44-S48 PolarHBondContact O-N 3.23Å; G44-S48 PolarHBondContact O-OG 3.39Å; G44-S48 VanDerWaalsContact O-OG 3.07Å; L45-S48 PolarHBondContact O-N 2.88Å; S48-W51 PolarHBondContact O-N 2.93Å; S48-A52 WeakPolarHBondContact O-CB 3.46Å; S48-A52 PolarHBondContact O-N 3.26Å
49L89.4Confident86.1Confident1 Ų155.2 Ų55.21%0.00530%0.303CS..Hα-helixtrans-72.8-35.8177.9-74.6166.1000112.9L30 F33 L34 L45 R46 E47 W51 A52 T53 L73 I76L30-L49 HydrophobicContact CD2-CD2 4.46Å; F33-L49 HydrophobicContact CD1-CD2 3.65Å; F33-L49 HydrophobicContact CD1-CG 4.35Å; F33-L49 HydrophobicContact CE1-CD2 4.2Å; F33-L49 HydrophobicContact CE1-CG 4.43Å; L34-L49 HydrophobicContact CB-CD2 4.42Å; L34-L49 HydrophobicContact CD1-CD1 4.4Å; L45-L49 HydrophobicContact CD1-CD1 4.02Å; L45-L49 HydrophobicContact CD1-CG 4.27Å; L45-L49 HydrophobicContact CG-CD1 4.03Å; L45-L49 WeakPolarHBondContact O-CB 3.36Å; L45-L49 WeakPolarHBondContact O-CG 3.43Å; L45-L49 PolarHBondContact O-N 3.48Å; R46-L49 PolarHBondContact O-N 2.72Å; E47-L49 VanDerWaalsContact C-N 3.32Å; E47-L49 PolarHBondContact O-N 2.93Å; L49-W51 VanDerWaalsContact C-N 3.33Å; L49-A52 PolarHBondContact O-N 3.33Å; L49-T53 WeakPolarHBondContact O-CB 3.35Å; L49-T53 PolarHBondContact O-N 3.13Å; L49-T53 PolarHBondContact O-OG1 3.42Å; L49-L73 HydrophobicContact CB-CD2 3.29Å; L49-L73 HydrophobicContact CB-CG 4.42Å; L49-L73 HydrophobicContact CD1-CD2 3.65Å; L49-L73 HydrophobicContact CG-CD2 4.04Å; L49-I76 HydrophobicContact CD1-CD1 3.77Å
50T90.9Very high86.6Confident65 Ų6555.3 Ų55.340%0.39930%0.296SS..Hα-helixtrans-65.4-39.4172.752.40000111.6R46 E47 T53 A54 L73R46-T50 WeakPolarHBondContact O-CG2 3.44Å; R46-T50 PolarHBondContact O-N 3.14Å; R46-T50 PolarHBondContact O-OG1 2.73Å; E47-T50 WeakPolarHBondContact CA-OG1 3.34Å; E47-T50 PolarHBondContact O-N 3.25Å; E47-T50 PolarHBondContact O-OG1 2.99Å; T50-T53 PolarHBondContact O-N 3.38Å; T50-A54 PolarHBondContact O-N 2.95Å; T50-L73 HydrophobicContact CG2-CD1 3.66Å
51W92Very high87Confident109 Ų10948.3 Ų48.341%0.41327%0.266SS..Hα-helixtrans-62-48172.5170.581.6000111.2E3 F33 E47 S48 L49 T53 A54 C55E3-W51 HydrophobicContact CB-CH2 3.98Å; E3-W51 HydrophobicContact CB-CZ2 3.95Å; F33-W51 HydrophobicContact CE2-CZ3 4.2Å; F33-W51 HydrophobicContact CZ-CZ3 4.46Å; E47-W51 WeakPolarHBondContact O-CB 3.25Å; E47-W51 PolarHBondContact O-N 2.84Å; S48-W51 PolarHBondContact O-N 2.93Å; L49-W51 VanDerWaalsContact C-N 3.33Å; W51-T53 VanDerWaalsContact C-N 3.28Å; W51-T53 PolarHBondContact O-N 3.05Å; W51-A54 WeakPolarHBondContact O-CB 3.35Å; W51-A54 PolarHBondContact O-N 3.46Å; W51-C55 VanDerWaalsContact CE2-SG 3.56Å; W51-C55 PolarHBondContact O-N 2.77Å; W51-C55 PolarHBondContact O-SG 3.33Å
52A91.8Very high87.1Confident0 Ų045.4 Ų45.40%025%0.249CC..Hα-helixtrans-59.3-39.4176.900000112.3L6 L30 F33 S48 L49 C55 L56L6-A52 HydrophobicContact CD1-CB 3.84Å; L30-A52 HydrophobicContact CD2-CB 3.72Å; F33-A52 HydrophobicContact CD1-CB 4.34Å; F33-A52 HydrophobicContact CD2-CB 4.5Å; F33-A52 HydrophobicContact CE1-CB 4.34Å; F33-A52 HydrophobicContact CG-CB 4.41Å; F33-A52 HydrophobicContact CZ-CB 4.43Å; S48-A52 WeakPolarHBondContact O-CB 3.46Å; S48-A52 PolarHBondContact O-N 3.26Å; L49-A52 PolarHBondContact O-N 3.33Å; A52-C55 PolarHBondContact O-N 3.18Å; A52-L56 WeakPolarHBondContact O-CG 3.46Å; A52-L56 PolarHBondContact O-N 2.86Å; A52-L56 VanDerWaalsContact O-N 3.1Å
53T91.1Very high87.5Confident12 Ų1242.4 Ų42.47%0.07423%0.234CC..Hα-helixtrans-63.6-43175-54.80000111.1L49 T50 W51 C55 L56 M57L49-T53 WeakPolarHBondContact O-CB 3.35Å; L49-T53 PolarHBondContact O-N 3.13Å; L49-T53 PolarHBondContact O-OG1 3.42Å; T50-T53 PolarHBondContact O-N 3.38Å; W51-T53 VanDerWaalsContact C-N 3.28Å; W51-T53 PolarHBondContact O-N 3.05Å; T53-C55 VanDerWaalsContact C-N 3.35Å; T53-C55 PolarHBondContact O-N 3.12Å; T53-L56 PolarHBondContact O-N 3.41Å; T53-M57 HydrophobicContact CG2-SD 4.31Å; T53-M57 VanDerWaalsContact O-CG 3.31Å; T53-M57 WeakPolarHBondContact O-CG 3.46Å; T53-M57 PolarHBondContact O-N 2.92Å
54A90Very high87.8Confident58 Ų5837.8 Ų37.848%0.47921%0.21SC..Hα-helixtrans-62.9-38.7176.400000112.5T50 W51 M57 G58T50-A54 PolarHBondContact O-N 2.95Å; W51-A54 WeakPolarHBondContact O-CB 3.35Å; W51-A54 PolarHBondContact O-N 3.46Å; A54-M57 PolarHBondContact O-N 3.03Å; A54-G58 PolarHBondContact O-N 3.26Å
55C90.3Very high88Confident11 Ų1136.9 Ų36.97%0.07420%0.2CC..Hα-helixtrans-61.3-44.2173.5-68.90000112E3 L6 W51 A52 T53 M57 G58E3-C55 HydrophobicContact CG-CB 4.24Å; L6-C55 HydrophobicContact CD2-CB 4.25Å; W51-C55 VanDerWaalsContact CE2-SG 3.56Å; W51-C55 PolarHBondContact O-N 2.77Å; W51-C55 PolarHBondContact O-SG 3.33Å; A52-C55 PolarHBondContact O-N 3.18Å; T53-C55 VanDerWaalsContact C-N 3.35Å; T53-C55 PolarHBondContact O-N 3.12Å; C55-M57 VanDerWaalsContact C-N 3.32Å; C55-M57 PolarHBondContact O-N 3.48Å; C55-G58 PolarHBondContact O-N 2.9Å; C55-G58 VanDerWaalsContact O-N 3.09Å
56L89.6Confident88.3Confident0 Ų037.3 Ų37.30%020%0.204CC..Hα-helixtrans-63.5-37.7176.3-64.9171.2000112.2L6 F10 A26 T29 L30 A52 T53 G58 E59 D60 V65L6-L56 HydrophobicContact CD2-CD1 4.36Å; L6-L56 HydrophobicContact CD2-CD2 3.52Å; L6-L56 HydrophobicContact CD2-CG 3.67Å; L6-L56 HydrophobicContact CG-CD2 4.44Å; F10-L56 HydrophobicContact CB-CD2 3.77Å; F10-L56 HydrophobicContact CD1-CD2 4.39Å; F10-L56 HydrophobicContact CD2-CD2 4.11Å; F10-L56 HydrophobicContact CG-CD2 3.84Å; A26-L56 HydrophobicContact CB-CD1 4.01Å; T29-L56 WeakPolarHBondContact OG1-CD1 3.36Å; L30-L56 HydrophobicContact CD1-CD1 4.47Å; L30-L56 HydrophobicContact CD2-CD1 4.03Å; L30-L56 HydrophobicContact CG-CD1 3.93Å; A52-L56 WeakPolarHBondContact O-CG 3.46Å; A52-L56 PolarHBondContact O-N 2.86Å; A52-L56 VanDerWaalsContact O-N 3.1Å; T53-L56 PolarHBondContact O-N 3.41Å; L56-G58 PolarHBondContact O-N 3.4Å; L56-E59 PolarHBondContact O-N 3.24Å; L56-E59 VanDerWaalsContact O-N 3.15Å; L56-D60 PolarHBondContact O-N 3.1Å; L56-V65 HydrophobicContact CB-CG1 4.11Å
57M86.6Confident88.5Confident48 Ų4831.4 Ų31.424%0.23618%0.182CC..Hα-helixtrans-68-22.2174.6-68.1175.16400113.3T53 A54 C55 E59 D60 V65 S66 K249 F250T53-M57 HydrophobicContact CG2-SD 4.31Å; T53-M57 VanDerWaalsContact O-CG 3.31Å; T53-M57 WeakPolarHBondContact O-CG 3.46Å; T53-M57 PolarHBondContact O-N 2.92Å; A54-M57 PolarHBondContact O-N 3.03Å; C55-M57 VanDerWaalsContact C-N 3.32Å; C55-M57 PolarHBondContact O-N 3.48Å; M57-E59 PolarHBondContact O-N 3.27Å; M57-D60 VanDerWaalsContact O-O 3.11Å; M57-V65 HydrophobicContact CG-CG1 4.32Å; M57-S66 WeakPolarHBondContact CE-OG 3.3Å; M57-K249 HydrophobicContact CE-CD 4.37Å; M57-F250 HydrophobicContact CE-CE1 4.47Å
58G83.8Confident88.7Confident32 Ų3226.1 Ų26.133%0.3316%0.157SC..THydrogen-bonded Turntrans-73.5-16.7172.900000113.6A54 C55 L56 K258A54-G58 PolarHBondContact O-N 3.26Å; C55-G58 PolarHBondContact O-N 2.9Å; C55-G58 VanDerWaalsContact O-N 3.09Å; L56-G58 PolarHBondContact O-N 3.4Å; G58-K258 PolarHBondContact O-NZ 3.3Å
59E84.4Confident88.7Confident61 Ų6124.2 Ų24.229%0.28514%0.144SC..THydrogen-bonded Turntrans-99.7-40.9177.4-178.464.6-169.400111.8V7 F10 R11 L56 M57V7-E59 HydrophobicContact CG1-CG 4.17Å; F10-E59 HydrophobicContact CD1-CG 4.28Å; F10-E59 HydrophobicContact CE1-CG 4.23Å; R11-E59 IonicContact CZ-OE1 2.81Å; R11-E59 IonicContact CZ-OE2 2.74Å; R11-E59 IonicContact NE-OE1 2.8Å; R11-E59 PolarHBondContact NE-OE1 2.93Å; R11-E59 IonicContact NE-OE2 2.81Å; R11-E59 IonicContact NH2-OE1 3.23Å; R11-E59 PolarHBondContact NH2-OE1 3.47Å; R11-E59 IonicContact NH2-OE2 3.13Å; R11-E59 PolarHBondContact NH2-OE2 3.25Å; L56-E59 PolarHBondContact O-N 3.24Å; L56-E59 VanDerWaalsContact O-N 3.15Å; M57-E59 PolarHBondContact O-N 3.27Å
60D82.8Confident88.8Confident38 Ų3827 Ų2720%0.20316%0.157CC..  trans-119.6123-178.8-165-41.1000111.1F10 S22 L56 M57 S62 V65F10-D60 HydrophobicContact CE1-CB 4.45Å; F10-D60 HydrophobicContact CZ-CB 4.36Å; S22-D60 VanDerWaalsContact CB-OD2 3.32Å; S22-D60 WeakPolarHBondContact CB-OD2 3.47Å; S22-D60 PolarHBondContact OG-OD2 3.32Å; L56-D60 PolarHBondContact O-N 3.1Å; M57-D60 VanDerWaalsContact O-O 3.11Å; D60-S62 VanDerWaalsContact C-N 3.26Å; D60-S62 PolarHBondContact O-N 3.35Å; D60-S62 WeakPolarHBondContact OD1-CA 3.46Å; D60-S62 WeakPolarHBondContact OD1-CB 3.47Å; D60-S62 PolarHBondContact OD1-N 2.69Å; D60-V65 HydrophobicContact CB-CG2 4.18Å
61S81.8Confident88.8Confident28 Ų2824.4 Ų24.420%0.19614%0.14CC..  trans-82.62.4179.962.70000113.7K249S61-K249 WeakPolarHBondContact CB-O 3.49Å
62S85.6Confident88.8Confident19 Ų1919.2 Ų19.213%0.13312%0.121CC..  trans-69.8133.2-178.8-1710000112.1D60 A64 V65 E198D60-S62 VanDerWaalsContact C-N 3.26Å; D60-S62 PolarHBondContact O-N 3.35Å; D60-S62 WeakPolarHBondContact OD1-CA 3.46Å; D60-S62 WeakPolarHBondContact OD1-CB 3.47Å; D60-S62 PolarHBondContact OD1-N 2.69Å; S62-A64 PolarHBondContact O-N 3.37Å; S62-A64 VanDerWaalsContact O-N 3.13Å; S62-A64 PolarHBondContact OG-N 3.08Å; S62-V65 PolarHBondContact O-N 3.15Å; S62-V65 VanDerWaalsContact O-N 3.17Å; S62-E198 PolarHBondContact OG-OE2 2.97Å
63V87.9Confident88.7Confident1 Ų120.1 Ų20.11%0.00613%0.125CC..Hα-helixtrans-57.3-29.1174.3-174.10000111.7V65 S66 S67 I207 V236 F250V63-V65 VanDerWaalsContact C-N 3.32Å; V63-V65 PolarHBondContact O-N 2.96Å; V63-S66 PolarHBondContact O-N 3.17Å; V63-S67 PolarHBondContact O-N 2.93Å; V63-S67 PolarHBondContact O-OG 3.23Å; V63-I207 HydrophobicContact CG2-CD1 4.33Å; V63-I207 HydrophobicContact CG2-CG2 4.03Å; V63-V236 HydrophobicContact CG1-CB 4.06Å; V63-V236 HydrophobicContact CG1-CG1 3.98Å; V63-V236 HydrophobicContact CG1-CG2 4.02Å; V63-F250 HydrophobicContact CB-CD1 4.45Å; V63-F250 HydrophobicContact CB-CE1 4.45Å; V63-F250 HydrophobicContact CG1-CZ 4.44Å; V63-F250 HydrophobicContact CG2-CB 3.91Å; V63-F250 HydrophobicContact CG2-CD1 3.74Å; V63-F250 HydrophobicContact CG2-CD2 4.02Å; V63-F250 HydrophobicContact CG2-CE1 4.16Å; V63-F250 HydrophobicContact CG2-CE2 4.41Å; V63-F250 HydrophobicContact CG2-CG 3.65Å; V63-F250 HydrophobicContact CG2-CZ 4.46Å
64A89.4Confident88.5Confident5 Ų524.9 Ų24.94%0.04114%0.142CC..Hα-helixtrans-64.6-32.6-178.700000113A23 S62 S67 G68 K234A23-A64 HydrophobicContact CB-CB 3.89Å; A23-A64 VanDerWaalsContact CB-O 3.28Å; A23-A64 WeakPolarHBondContact CB-O 3.15Å; S62-A64 PolarHBondContact O-N 3.37Å; S62-A64 VanDerWaalsContact O-N 3.13Å; S62-A64 PolarHBondContact OG-N 3.08Å; A64-S67 WeakPolarHBondContact CA-OG 3.28Å; A64-S67 PolarHBondContact O-OG 2.79Å; A64-G68 PolarHBondContact O-N 3.44Å; A64-K234 HydrophobicContact CB-CG 4.12Å
65V91Very high88.5Confident1 Ų124 Ų241%0.00613%0.128CC..Hα-helixtrans-71.5-42177.81750000110.4S22 A26 L56 M57 D60 S62 V63 G69S22-V65 VanDerWaalsContact OG-CG2 3.28Å; S22-V65 WeakPolarHBondContact OG-CG2 3.32Å; A26-V65 HydrophobicContact CB-CG1 3.84Å; A26-V65 HydrophobicContact CB-CG2 4.31Å; L56-V65 HydrophobicContact CB-CG1 4.11Å; M57-V65 HydrophobicContact CG-CG1 4.32Å; D60-V65 HydrophobicContact CB-CG2 4.18Å; S62-V65 PolarHBondContact O-N 3.15Å; S62-V65 VanDerWaalsContact O-N 3.17Å; V63-V65 VanDerWaalsContact C-N 3.32Å; V63-V65 PolarHBondContact O-N 2.96Å; V65-G69 PolarHBondContact O-N 3.49Å
66S91.1Very high88.3Confident18 Ų1823.5 Ų23.513%0.12612%0.124CC..Hα-helixtrans-62.3-50.4176.5-172.60000111.9M57 V63 E70M57-S66 WeakPolarHBondContact CE-OG 3.3Å; V63-S66 PolarHBondContact O-N 3.17Å; S66-E70 PolarHBondContact O-N 3.3Å; S66-E70 VanDerWaalsContact O-N 3.16Å
67S91.5Very high88Confident0 Ų025.1 Ų25.10%014%0.135CC..Hα-helixtrans-65.8-46179.242.70000111.8V63 A64 G69 E70 L71 F233 F235V63-S67 PolarHBondContact O-N 2.93Å; V63-S67 PolarHBondContact O-OG 3.23Å; A64-S67 WeakPolarHBondContact CA-OG 3.28Å; A64-S67 PolarHBondContact O-OG 2.79Å; S67-G69 VanDerWaalsContact C-N 3.35Å; S67-G69 PolarHBondContact O-N 2.93Å; S67-E70 PolarHBondContact O-N 3.27Å; S67-L71 WeakPolarHBondContact O-CB 3.43Å; S67-L71 WeakPolarHBondContact O-CG 3.37Å; S67-L71 PolarHBondContact O-N 3.39Å; S67-F233 WeakPolarHBondContact CB-O 3.31Å; S67-F233 PolarHBondContact OG-O 3.2Å; S67-F235 VanDerWaalsContact CB-O 3.28Å; S67-F235 WeakPolarHBondContact CB-O 3.49Å
68G91.4Very high87.6Confident0 Ų026.8 Ų26.80%015%0.145CC..Hα-helixtrans-60.1-40.917800000113.3A64 F72 F233A64-G68 PolarHBondContact O-N 3.44Å; G68-F72 WeakPolarHBondContact O-CB 3.21Å; G68-F72 PolarHBondContact O-N 2.95Å; G68-F233 PolarHBondContact N-O 3.2Å
69G91Very high86.8Confident1 Ų126 Ų261%0.0113%0.134CC..Hα-helixtrans-66.5-44176.200000113.1V65 S67 F72 L73V65-G69 PolarHBondContact O-N 3.49Å; S67-G69 VanDerWaalsContact C-N 3.35Å; S67-G69 PolarHBondContact O-N 2.93Å; G69-F72 PolarHBondContact O-N 3.23Å; G69-L73 WeakPolarHBondContact O-CB 3.37Å; G69-L73 WeakPolarHBondContact O-CG 3.31Å; G69-L73 PolarHBondContact O-N 3.22Å
70E90.6Very high85.7Confident61 Ų6124.2 Ų24.229%0.28513%0.128SC..Hα-helixtrans-65.9-44.5177.5-166.9-178.4173.600111.9S66 S67 F72 L73 R74 Y301S66-E70 PolarHBondContact O-N 3.3Å; S66-E70 VanDerWaalsContact O-N 3.16Å; S67-E70 PolarHBondContact O-N 3.27Å; E70-F72 VanDerWaalsContact C-N 3.34Å; E70-F72 PolarHBondContact O-N 2.97Å; E70-L73 WeakPolarHBondContact O-CB 3.15Å; E70-L73 PolarHBondContact O-N 3.33Å; E70-R74 VanDerWaalsContact O-CG 3.3Å; E70-R74 WeakPolarHBondContact O-CG 3.43Å; E70-R74 PolarHBondContact O-N 3.06Å; E70-Y301 HydrophobicContact CG-CE1 3.96Å
71L91.4Very high84.6Confident10 Ų1030.3 Ų30.35%0.05216%0.16CC..Hα-helixtrans-64-39.3176.3-73.9171.8000111.8S67 R74 F75 F100 F233 L300 Y301S67-L71 WeakPolarHBondContact O-CB 3.43Å; S67-L71 WeakPolarHBondContact O-CG 3.37Å; S67-L71 PolarHBondContact O-N 3.39Å; L71-R74 PolarHBondContact O-N 3.14Å; L71-F75 VanDerWaalsContact O-CB 3.26Å; L71-F75 WeakPolarHBondContact O-CB 3.48Å; L71-F75 PolarHBondContact O-N 2.93Å; L71-F100 HydrophobicContact CB-CZ 3.98Å; L71-F233 HydrophobicContact CD1-CB 4.48Å; L71-L300 HydrophobicContact CD2-CB 4.24Å; L71-Y301 HydrophobicContact CD2-CD1 4.34Å; L71-Y301 HydrophobicContact CD2-CD2 3.96Å; L71-Y301 HydrophobicContact CD2-CE1 3.98Å; L71-Y301 HydrophobicContact CD2-CE2 3.58Å; L71-Y301 HydrophobicContact CD2-CG 4.35Å; L71-Y301 HydrophobicContact CG-CE1 4.43Å; L71-Y301 HydrophobicContact CG-CE2 4.27Å
72F91.8Very high83.6Confident0 Ų035.8 Ų35.80%018%0.182CC..Hα-helixtrans-59.1-50.4173.9176.6-107.6000111I27 L30 L31 L34 G68 G69 E70 R74 F75 I76 F100I27-F72 HydrophobicContact CG1-CB 4.39Å; I27-F72 HydrophobicContact CG2-CD2 3.77Å; I27-F72 HydrophobicContact CG2-CE2 4.11Å; I27-F72 HydrophobicContact CG2-CG 4.35Å; L30-F72 HydrophobicContact CB-CD1 3.99Å; L30-F72 HydrophobicContact CB-CE1 3.78Å; L30-F72 HydrophobicContact CD1-CD1 4.14Å; L31-F72 HydrophobicContact CB-CE2 4.5Å; L31-F72 HydrophobicContact CB-CZ 4.14Å; L31-F72 HydrophobicContact CD1-CZ 4.2Å; L34-F72 HydrophobicContact CD2-CZ 4.49Å; G68-F72 WeakPolarHBondContact O-CB 3.21Å; G68-F72 PolarHBondContact O-N 2.95Å; G69-F72 PolarHBondContact O-N 3.23Å; E70-F72 VanDerWaalsContact C-N 3.34Å; E70-F72 PolarHBondContact O-N 2.97Å; F72-R74 VanDerWaalsContact C-N 3.32Å; F72-R74 PolarHBondContact O-N 2.89Å; F72-F75 PolarHBondContact O-N 3.21Å; F72-I76 HydrophobicContact CD1-CD1 4.24Å; F72-I76 HydrophobicContact CD2-CG2 4.33Å; F72-I76 HydrophobicContact CE1-CD1 3.88Å; F72-I76 HydrophobicContact CE2-CG2 4Å; F72-I76 HydrophobicContact CZ-CD1 4.32Å; F72-I76 HydrophobicContact CZ-CG2 4.11Å; F72-I76 WeakPolarHBondContact O-CG1 3.17Å; F72-I76 PolarHBondContact O-N 3.34Å; F72-F100 HydrophobicContact CB-CD1 4.31Å; F72-F100 HydrophobicContact CB-CE1 3.82Å; F72-F100 AromaticContact CD2-CD1 3.68Å; F72-F100 HydrophobicContact CD2-CD1 3.68Å; F72-F100 HydrophobicContact CD2-CE1 4.07Å; F72-F100 HydrophobicContact CD2-CG 4.48Å; F72-F100 HydrophobicContact CG-CE1 4.47Å
73L89.6Confident82.6Confident18 Ų1838.8 Ų38.89%0.09419%0.194CC..Hα-helixtrans-57.9-43.5178.3-78.3172.5000112.5L49 T50 G69 E70 I76 S77L49-L73 HydrophobicContact CB-CD2 3.29Å; L49-L73 HydrophobicContact CB-CG 4.42Å; L49-L73 HydrophobicContact CD1-CD2 3.65Å; L49-L73 HydrophobicContact CG-CD2 4.04Å; T50-L73 HydrophobicContact CG2-CD1 3.66Å; G69-L73 WeakPolarHBondContact O-CB 3.37Å; G69-L73 WeakPolarHBondContact O-CG 3.31Å; G69-L73 PolarHBondContact O-N 3.22Å; E70-L73 WeakPolarHBondContact O-CB 3.15Å; E70-L73 PolarHBondContact O-N 3.33Å; L73-I76 HydrophobicContact CD2-CD1 4.24Å; L73-I76 VanDerWaalsContact O-CG1 3.27Å; L73-I76 WeakPolarHBondContact O-CG1 3.31Å; L73-S77 WeakPolarHBondContact O-CB 3.49Å; L73-S77 PolarHBondContact O-N 3.38Å; L73-S77 PolarHBondContact O-OG 3.46Å
74R87.9Confident81.6Confident112 Ų11248.3 Ų48.342%0.42324%0.238SC..Hα-helixtrans-63.4-49.7175.6-70.1-72.3178.6175.60.5110.9E70 L71 F72 I76 S77 L78 Y301E70-R74 VanDerWaalsContact O-CG 3.3Å; E70-R74 WeakPolarHBondContact O-CG 3.43Å; E70-R74 PolarHBondContact O-N 3.06Å; L71-R74 PolarHBondContact O-N 3.14Å; F72-R74 VanDerWaalsContact C-N 3.32Å; F72-R74 PolarHBondContact O-N 2.89Å; R74-I76 VanDerWaalsContact C-N 3.29Å; R74-I76 PolarHBondContact O-N 2.95Å; R74-S77 PolarHBondContact O-N 3.38Å; R74-S77 VanDerWaalsContact O-N 3.08Å; R74-L78 WeakPolarHBondContact O-CG 3.29Å; R74-L78 PolarHBondContact O-N 2.89Å; R74-L78 VanDerWaalsContact O-N 3.1Å; R74-Y301 HydrophobicContact CG-CD1 4.47Å
75F88.4Confident81.1Confident41 Ų4152.3 Ų52.318%0.1826%0.259CS..Hα-helixtrans-59.4-38.1-175.7-170.6-96.2000113.2L71 F72 R96 F100L71-F75 VanDerWaalsContact O-CB 3.26Å; L71-F75 WeakPolarHBondContact O-CB 3.48Å; L71-F75 PolarHBondContact O-N 2.93Å; F72-F75 PolarHBondContact O-N 3.21Å; F75-R96 HydrophobicContact CD1-CB 4.19Å; F75-R96 HydrophobicContact CE1-CB 3.89Å; F75-R96 HydrophobicContact CE1-CG 4.46Å; F75-R96 VanDerWaalsContact CE1-O 3.26Å; F75-R96 WeakPolarHBondContact CE1-O 3.5Å; F75-R96 PolarHBondContact O-NE 3.27Å; F75-R96 PolarHBondContact O-NH2 2.97Å; F75-F100 HydrophobicContact CB-CD2 3.98Å; F75-F100 HydrophobicContact CB-CE2 4.22Å; F75-F100 HydrophobicContact CD1-CB 3.67Å; F75-F100 AromaticContact CD1-CD2 3.9Å; F75-F100 HydrophobicContact CD1-CD2 3.9Å; F75-F100 HydrophobicContact CD1-CG 4.08Å; F75-F100 HydrophobicContact CD2-CD2 4.06Å; F75-F100 HydrophobicContact CE1-CB 3.89Å; F75-F100 HydrophobicContact CE1-CD2 4.44Å; F75-F100 HydrophobicContact CG-CB 4.34Å; F75-F100 AromaticContact CG-CD2 3.68Å; F75-F100 HydrophobicContact CG-CD2 3.68Å; F75-F100 HydrophobicContact CG-CE2 4.32Å; F75-F100 HydrophobicContact CG-CG 4.27Å
76I87.3Confident80.5Confident0 Ų055 Ų550%027%0.273CS..Hα-helixtrans-79-31.6176.467.1-178.4000112.6L34 L49 F72 L73 R74 T79 M93L34-I76 HydrophobicContact CD2-CD1 4.34Å; L49-I76 HydrophobicContact CD1-CD1 3.77Å; F72-I76 HydrophobicContact CD1-CD1 4.24Å; F72-I76 HydrophobicContact CD2-CG2 4.33Å; F72-I76 HydrophobicContact CE1-CD1 3.88Å; F72-I76 HydrophobicContact CE2-CG2 4Å; F72-I76 HydrophobicContact CZ-CD1 4.32Å; F72-I76 HydrophobicContact CZ-CG2 4.11Å; F72-I76 WeakPolarHBondContact O-CG1 3.17Å; F72-I76 PolarHBondContact O-N 3.34Å; L73-I76 HydrophobicContact CD2-CD1 4.24Å; L73-I76 VanDerWaalsContact O-CG1 3.27Å; L73-I76 WeakPolarHBondContact O-CG1 3.31Å; R74-I76 VanDerWaalsContact C-N 3.29Å; R74-I76 PolarHBondContact O-N 2.95Å; I76-T79 PolarHBondContact O-OG1 2.86Å; I76-M93 HydrophobicContact CB-CB 4.25Å; I76-M93 HydrophobicContact CB-CE 4.15Å; I76-M93 HydrophobicContact CB-CG 4.33Å; I76-M93 HydrophobicContact CD1-CE 3.79Å; I76-M93 HydrophobicContact CG1-CE 3.77Å
77S83.2Confident80Confident34 Ų3458.5 Ų58.524%0.23830%0.297CS..Hα-helixtrans-81.8-16.3-175.2-56.50000113.9L73 R74 T79 S80L73-S77 WeakPolarHBondContact O-CB 3.49Å; L73-S77 PolarHBondContact O-N 3.38Å; L73-S77 PolarHBondContact O-OG 3.46Å; R74-S77 PolarHBondContact O-N 3.38Å; R74-S77 VanDerWaalsContact O-N 3.08Å; S77-T79 PolarHBondContact O-N 3.43Å; S77-T79 VanDerWaalsContact O-N 3.13Å; S77-S80 WeakPolarHBondContact O-CB 3.41Å; S77-S80 PolarHBondContact O-N 3.25Å; S77-S80 VanDerWaalsContact O-N 3.07Å; S77-S80 PolarHBondContact O-OG 3.14Å
78L77.3Confident79.6Confident83 Ų8366.4 Ų66.444%0.43533%0.327SS..THydrogen-bonded Turntrans-55.5-30.4179.6-81.5167.1000113.5R74 L302R74-L78 WeakPolarHBondContact O-CG 3.29Å; R74-L78 PolarHBondContact O-N 2.89Å; R74-L78 VanDerWaalsContact O-N 3.1Å; L78-L302 WeakPolarHBondContact CD2-O 3.29Å
79T67.9Low79.3Confident16 Ų1666.7 Ų66.710%0.09833%0.329CS..THydrogen-bonded Turntrans-93.1-5.1-179.344.80000114.2I76 S77 L81 E82 V92I76-T79 PolarHBondContact O-OG1 2.86Å; S77-T79 PolarHBondContact O-N 3.43Å; S77-T79 VanDerWaalsContact O-N 3.13Å; T79-L81 PolarHBondContact O-N 3.22Å; T79-E82 PolarHBondContact O-N 2.65Å; T79-E82 VanDerWaalsContact O-N 3.12Å; T79-V92 HydrophobicContact CG2-CG1 4.47Å
80S60.1Low79Confident23 Ų2368.9 Ų68.916%0.16134%0.338CS..THydrogen-bonded Turntrans-62.9-8.4-178-57.10000113.7S77S77-S80 WeakPolarHBondContact O-CB 3.41Å; S77-S80 PolarHBondContact O-N 3.25Å; S77-S80 VanDerWaalsContact O-N 3.07Å; S77-S80 PolarHBondContact O-OG 3.14Å
81L59.8Low78.8Confident166 Ų16672.6 Ų72.687%0.86935%0.353SS*.THydrogen-bonded Turntrans-90.4-10.2179.1-64.5169.3000113.9T79T79-L81 PolarHBondContact O-N 3.22Å
82E61Low78.7Confident143 Ų14373.9 Ų73.967%0.66836%0.362SS*.SBendtrans-99.5-14.7-168.5-63.4-176.1160.400114.6T79T79-E82 PolarHBondContact O-N 2.65Å; T79-E82 VanDerWaalsContact O-N 3.12Å
83H64.9Low78.6Confident81 Ų8174.1 Ų74.138%0.37536%0.363SS..  trans-132.6135.2-170.3-63.8-29.6000112.5C89H83-C89 VanDerWaalsContact CB-SG 3.51Å
84Q66.7Low78.6Confident202 Ų20275.5 Ų75.594%0.94437%0.369SS*.SBendtrans-81.6-23178.6-65.3-179.5-600112.8
85D80.1Confident78.7Confident88 Ų8876.3 Ų76.347%0.47138%0.378SS..  trans-93.6116.5-177.4-69.4-32.6000112.6S87 R88 C89D85-S87 VanDerWaalsContact C-N 3.34Å; D85-S87 PolarHBondContact O-N 3.06Å; D85-R88 HydrophobicContact CB-CB 4.17Å; D85-R88 HydrophobicContact CB-CG 4.15Å; D85-R88 PolarHBondContact O-N 2.71Å; D85-R88 VanDerWaalsContact O-N 3.14Å; D85-R88 IonicContact OD2-CZ 3.4Å; D85-R88 IonicContact OD2-NE 3.66Å; D85-R88 IonicContact OD2-NH1 2.72Å; D85-C89 PolarHBondContact O-N 2.99Å; D85-C89 PolarHBondContact O-SG 3.11Å
86L76.7Confident78.9Confident57 Ų5777.2 Ų77.230%0.29838%0.38SS..Hα-helixtrans-55.8-43.3178.8-176.776.4000113.3E40 I42 R88 C89 K90E40-L86 WeakPolarHBondContact O-CD2 3.38Å; I42-L86 HydrophobicContact CG1-CD1 3.67Å; L86-R88 PolarHBondContact O-N 3.4Å; L86-C89 WeakPolarHBondContact O-CB 3.45Å; L86-C89 PolarHBondContact O-N 3.39Å; L86-K90 PolarHBondContact O-N 3.15Å
87S81.6Confident79.1Confident92 Ų9277.2 Ų77.264%0.64338%0.38SS*.Hα-helixtrans-64.8-31-177.6-52.30000112.5D85 K91D85-S87 VanDerWaalsContact C-N 3.34Å; D85-S87 PolarHBondContact O-N 3.06Å; S87-K91 PolarHBondContact O-N 2.95Å
88R83.4Confident79.6Confident167 Ų16779.3 Ų79.363%0.6339%0.386SS*.Hα-helixtrans-75.5-44.3173.6-69.2-178.6174.3176.7-0.9110.4D85 L86 K90 K91 V92D85-R88 HydrophobicContact CB-CB 4.17Å; D85-R88 HydrophobicContact CB-CG 4.15Å; D85-R88 PolarHBondContact O-N 2.71Å; D85-R88 VanDerWaalsContact O-N 3.14Å; D85-R88 IonicContact OD2-CZ 3.4Å; D85-R88 IonicContact OD2-NE 3.66Å; D85-R88 IonicContact OD2-NH1 2.72Å; L86-R88 PolarHBondContact O-N 3.4Å; R88-K90 VanDerWaalsContact C-N 3.28Å; R88-K90 PolarHBondContact O-N 3.04Å; R88-K91 PolarHBondContact O-N 3.1Å; R88-V92 WeakPolarHBondContact O-CG2 3.37Å; R88-V92 PolarHBondContact O-N 3.3Å
89C83.8Confident80.3Confident5 Ų579.6 Ų79.63%0.03439%0.387CS..Hα-helixtrans-52.8-47.7173.5-65.10000111.5H83 D85 L86 K91 V92 M93H83-C89 VanDerWaalsContact CB-SG 3.51Å; D85-C89 PolarHBondContact O-N 2.99Å; D85-C89 PolarHBondContact O-SG 3.11Å; L86-C89 WeakPolarHBondContact O-CB 3.45Å; L86-C89 PolarHBondContact O-N 3.39Å; C89-K91 PolarHBondContact O-N 2.89Å; C89-V92 PolarHBondContact O-N 2.94Å; C89-M93 WeakPolarHBondContact O-CG 3.45Å; C89-M93 PolarHBondContact O-N 3.32Å
90K85Confident81.5Confident48 Ų4879.8 Ų79.821%0.20939%0.387CS..Hα-helixtrans-60.5-45.8-179-171-178.1176.1-168.60112.1L34 K35 D37 L86 R88 V92 M93 E94L34-K90 WeakPolarHBondContact O-CE 3.42Å; L34-K90 PolarHBondContact O-NZ 3.49Å; K35-K90 PolarHBondContact O-NZ 3.41Å; D37-K90 PolarHBondContact O-NZ 3.36Å; L86-K90 PolarHBondContact O-N 3.15Å; R88-K90 VanDerWaalsContact C-N 3.28Å; R88-K90 PolarHBondContact O-N 3.04Å; K90-V92 PolarHBondContact O-N 2.93Å; K90-M93 WeakPolarHBondContact O-CB 3.17Å; K90-M93 PolarHBondContact O-N 3.2Å; K90-E94 VanDerWaalsContact CE-OE1 3.25Å; K90-E94 WeakPolarHBondContact CE-OE1 3.28Å; K90-E94 IonicContact NZ-OE1 2.73Å; K90-E94 WeakPolarHBondContact O-CG 3.39Å; K90-E94 PolarHBondContact O-N 3.43Å
91K87.8Confident83Confident138 Ų13879 Ų7960%0.638%0.381SS*.Hα-helixtrans-60-44.6176.3-74-177.5178-174.60112.1S87 R88 C89 M93 E94 E95S87-K91 PolarHBondContact O-N 2.95Å; R88-K91 PolarHBondContact O-N 3.1Å; C89-K91 PolarHBondContact O-N 2.89Å; K91-M93 VanDerWaalsContact C-N 3.32Å; K91-M93 PolarHBondContact O-N 3.16Å; K91-E94 WeakPolarHBondContact O-CB 3.26Å; K91-E94 PolarHBondContact O-N 2.94Å; K91-E95 WeakPolarHBondContact O-CG 3.27Å; K91-E95 PolarHBondContact O-N 3.29Å
92V88.6Confident84.5Confident37 Ų3776.4 Ų76.422%0.22436%0.364CS..Hα-helixtrans-62.8-39.8176.4174.80000111.1T79 R88 C89 K90 E95 R96T79-V92 HydrophobicContact CG2-CG1 4.47Å; R88-V92 WeakPolarHBondContact O-CG2 3.37Å; R88-V92 PolarHBondContact O-N 3.3Å; C89-V92 PolarHBondContact O-N 2.94Å; K90-V92 PolarHBondContact O-N 2.93Å; V92-E95 PolarHBondContact O-N 3.5Å; V92-R96 HydrophobicContact CG1-CG 4.47Å; V92-R96 WeakPolarHBondContact O-CB 3.37Å; V92-R96 VanDerWaalsContact O-CG 3.32Å; V92-R96 WeakPolarHBondContact O-CG 3.44Å; V92-R96 PolarHBondContact O-N 3.41Å
93M89.1Confident85.9Confident6 Ų675.2 Ų75.23%0.0336%0.357CS..Hα-helixtrans-63.7-39.6175.5-69.2172.881.500111.9L34 L45 I76 C89 K90 K91 G97L34-M93 HydrophobicContact CD2-CB 4.11Å; L45-M93 HydrophobicContact CD2-CE 3.79Å; L45-M93 HydrophobicContact CD2-SD 3.92Å; I76-M93 HydrophobicContact CB-CB 4.25Å; I76-M93 HydrophobicContact CB-CE 4.15Å; I76-M93 HydrophobicContact CB-CG 4.33Å; I76-M93 HydrophobicContact CD1-CE 3.79Å; I76-M93 HydrophobicContact CG1-CE 3.77Å; C89-M93 WeakPolarHBondContact O-CG 3.45Å; C89-M93 PolarHBondContact O-N 3.32Å; K90-M93 WeakPolarHBondContact O-CB 3.17Å; K90-M93 PolarHBondContact O-N 3.2Å; K91-M93 VanDerWaalsContact C-N 3.32Å; K91-M93 PolarHBondContact O-N 3.16Å; M93-G97 PolarHBondContact O-N 2.88Å
94E90.3Very high87.1Confident47 Ų4771.7 Ų71.722%0.2234%0.341CS..Hα-helixtrans-64.1-48.5174.7-71.8173.3-166.100111.6L34 K35 K90 K91 R96 G97 E98L34-E94 HydrophobicContact CD2-CG 4.29Å; L34-E94 HydrophobicContact CG-CG 4.21Å; K35-E94 HydrophobicContact CG-CG 4.02Å; K90-E94 VanDerWaalsContact CE-OE1 3.25Å; K90-E94 WeakPolarHBondContact CE-OE1 3.28Å; K90-E94 IonicContact NZ-OE1 2.73Å; K90-E94 WeakPolarHBondContact O-CG 3.39Å; K90-E94 PolarHBondContact O-N 3.43Å; K91-E94 WeakPolarHBondContact O-CB 3.26Å; K91-E94 PolarHBondContact O-N 2.94Å; E94-R96 VanDerWaalsContact C-N 3.34Å; E94-R96 PolarHBondContact O-N 2.95Å; E94-G97 PolarHBondContact O-N 2.81Å; E94-G97 VanDerWaalsContact O-N 3.13Å; E94-E98 PolarHBondContact O-N 3.23Å
95E90.9Very high88.1Confident129 Ų12964.7 Ų64.760%0.60331%0.314SS*.Hα-helixtrans-59.4-43.9177.1-72.3173.9-173.100111.8K91 V92 G97 E98 L99K91-E95 WeakPolarHBondContact O-CG 3.27Å; K91-E95 PolarHBondContact O-N 3.29Å; V92-E95 PolarHBondContact O-N 3.5Å; E95-G97 VanDerWaalsContact C-N 3.34Å; E95-E98 PolarHBondContact O-N 3.46Å; E95-L99 WeakPolarHBondContact O-CG 3.45Å; E95-L99 PolarHBondContact O-N 2.82Å
96R90.9Very high88.6Confident59 Ų5965.3 Ų65.322%0.22332%0.315CS..Hα-helixtrans-65.3-38.6174.5-73.4-177.471.4111-1.2112F75 V92 E94 E98 L99 F100F75-R96 HydrophobicContact CD1-CB 4.19Å; F75-R96 HydrophobicContact CE1-CB 3.89Å; F75-R96 HydrophobicContact CE1-CG 4.46Å; F75-R96 VanDerWaalsContact CE1-O 3.26Å; F75-R96 WeakPolarHBondContact CE1-O 3.5Å; F75-R96 PolarHBondContact O-NE 3.27Å; F75-R96 PolarHBondContact O-NH2 2.97Å; V92-R96 HydrophobicContact CG1-CG 4.47Å; V92-R96 WeakPolarHBondContact O-CB 3.37Å; V92-R96 VanDerWaalsContact O-CG 3.32Å; V92-R96 WeakPolarHBondContact O-CG 3.44Å; V92-R96 PolarHBondContact O-N 3.41Å; E94-R96 VanDerWaalsContact C-N 3.34Å; E94-R96 PolarHBondContact O-N 2.95Å; R96-E98 VanDerWaalsContact C-N 3.32Å; R96-E98 PolarHBondContact O-N 3.07Å; R96-L99 PolarHBondContact O-N 3.04Å; R96-F100 WeakPolarHBondContact O-CB 3.46Å; R96-F100 PolarHBondContact O-N 3.35Å
97G92.2Very high89.3Confident0 Ų062.9 Ų62.90%030%0.303CS..Hα-helixtrans-60.2-42.4175.800000112.3M93 E94 E95 F100 L101M93-G97 PolarHBondContact O-N 2.88Å; E94-G97 PolarHBondContact O-N 2.81Å; E94-G97 VanDerWaalsContact O-N 3.13Å; E95-G97 VanDerWaalsContact C-N 3.34Å; G97-F100 PolarHBondContact O-N 3.07Å; G97-L101 WeakPolarHBondContact O-CB 3.32Å; G97-L101 PolarHBondContact O-N 3.24Å
98E93.1Very high89.9Confident78 Ų7860.4 Ų60.436%0.36428%0.28SS..Hα-helixtrans-64.6-44.6173.6-67.7-65.2172.300111.9L31 K35 E94 E95 R96 F100 L101 E102L31-E98 VanDerWaalsContact CD2-CD 3.43Å; L31-E98 HydrophobicContact CD2-CG 4.03Å; L31-E98 WeakPolarHBondContact CD2-OE1 3.47Å; K35-E98 WeakPolarHBondContact CE-OE1 3.31Å; K35-E98 IonicContact NZ-OE1 3.87Å; K35-E98 PolarHBondContact NZ-OE1 3.04Å; E94-E98 PolarHBondContact O-N 3.23Å; E95-E98 PolarHBondContact O-N 3.46Å; R96-E98 VanDerWaalsContact C-N 3.32Å; R96-E98 PolarHBondContact O-N 3.07Å; E98-F100 VanDerWaalsContact C-N 3.29Å; E98-F100 PolarHBondContact O-N 3.11Å; E98-L101 WeakPolarHBondContact O-CB 3.43Å; E98-L101 PolarHBondContact O-N 2.74Å; E98-E102 PolarHBondContact O-N 2.93Å
99L92.6Very high90.4Very high89 Ų8956.8 Ų56.847%0.46627%0.273SS..Hα-helixtrans-60.2-38.9175.8-73171.5000112.5E95 R96 E102 K103E95-L99 WeakPolarHBondContact O-CG 3.45Å; E95-L99 PolarHBondContact O-N 2.82Å; R96-L99 PolarHBondContact O-N 3.04Å; L99-E102 PolarHBondContact O-N 3.05Å; L99-K103 WeakPolarHBondContact O-CG 3.29Å; L99-K103 PolarHBondContact O-N 2.81Å
100F92.3Very high90.9Very high21 Ų2162 Ų629%0.09230%0.295CS..Hα-helixtrans-64.9-43.7176.4-175.2-108.1000111.4I27 L71 F72 F75 R96 G97 E98 E102 K103 I104I27-F100 HydrophobicContact CD1-CD1 4.38Å; I27-F100 HydrophobicContact CD1-CE1 3.67Å; I27-F100 HydrophobicContact CG1-CE1 4.27Å; I27-F100 HydrophobicContact CG2-CD1 3.97Å; I27-F100 HydrophobicContact CG2-CE1 4.25Å; L71-F100 HydrophobicContact CB-CZ 3.98Å; F72-F100 HydrophobicContact CB-CD1 4.31Å; F72-F100 HydrophobicContact CB-CE1 3.82Å; F72-F100 AromaticContact CD2-CD1 3.68Å; F72-F100 HydrophobicContact CD2-CD1 3.68Å; F72-F100 HydrophobicContact CD2-CE1 4.07Å; F72-F100 HydrophobicContact CD2-CG 4.48Å; F72-F100 HydrophobicContact CG-CE1 4.47Å; F75-F100 HydrophobicContact CB-CD2 3.98Å; F75-F100 HydrophobicContact CB-CE2 4.22Å; F75-F100 HydrophobicContact CD1-CB 3.67Å; F75-F100 AromaticContact CD1-CD2 3.9Å; F75-F100 HydrophobicContact CD1-CD2 3.9Å; F75-F100 HydrophobicContact CD1-CG 4.08Å; F75-F100 HydrophobicContact CD2-CD2 4.06Å; F75-F100 HydrophobicContact CE1-CB 3.89Å; F75-F100 HydrophobicContact CE1-CD2 4.44Å; F75-F100 HydrophobicContact CG-CB 4.34Å; F75-F100 AromaticContact CG-CD2 3.68Å; F75-F100 HydrophobicContact CG-CD2 3.68Å; F75-F100 HydrophobicContact CG-CE2 4.32Å; F75-F100 HydrophobicContact CG-CG 4.27Å; R96-F100 WeakPolarHBondContact O-CB 3.46Å; R96-F100 PolarHBondContact O-N 3.35Å; G97-F100 PolarHBondContact O-N 3.07Å; E98-F100 VanDerWaalsContact C-N 3.29Å; E98-F100 PolarHBondContact O-N 3.11Å; F100-E102 VanDerWaalsContact C-N 3.32Å; F100-E102 PolarHBondContact O-N 3.14Å; F100-K103 PolarHBondContact O-N 3.1Å; F100-I104 HydrophobicContact CD1-CD1 3.6Å; F100-I104 HydrophobicContact CD2-CD1 4.44Å; F100-I104 HydrophobicContact CE1-CD1 3.18Å; F100-I104 HydrophobicContact CE1-CG1 4.41Å; F100-I104 HydrophobicContact CE2-CD1 4.07Å; F100-I104 HydrophobicContact CG-CD1 4.24Å; F100-I104 HydrophobicContact CZ-CD1 3.44Å; F100-I104 VanDerWaalsContact CZ-CD1 3.44Å; F100-I104 HydrophobicContact CZ-CG1 4.44Å; F100-I104 WeakPolarHBondContact O-CG1 3.44Å; F100-I104 PolarHBondContact O-N 2.84Å
101L91.8Very high91.4Very high6 Ų659.8 Ų59.83%0.03129%0.285CS..Hα-helixtrans-63.3-38.8177.2179.962.8000112.2V24 I27 R28 L31 G97 E98 I104 S105V24-L101 HydrophobicContact CG1-CD1 3.74Å; I27-L101 HydrophobicContact CG2-CD1 4.33Å; R28-L101 HydrophobicContact CG-CD1 3.62Å; R28-L101 HydrophobicContact CG-CD2 3.64Å; R28-L101 HydrophobicContact CG-CG 4.27Å; L31-L101 HydrophobicContact CD2-CD2 4.2Å; G97-L101 WeakPolarHBondContact O-CB 3.32Å; G97-L101 PolarHBondContact O-N 3.24Å; E98-L101 WeakPolarHBondContact O-CB 3.43Å; E98-L101 PolarHBondContact O-N 2.74Å; L101-I104 PolarHBondContact O-N 2.92Å; L101-S105 WeakPolarHBondContact O-CB 3.27Å; L101-S105 PolarHBondContact O-N 2.87Å; L101-S105 PolarHBondContact O-OG 2.68Å
102E91.3Very high91.8Very high112 Ų11253.4 Ų53.452%0.52326%0.259SS..Hα-helixtrans-63.6-47.5175.4-165.2-170.3171.500111.1E98 L99 F100 I104 S105 M106E98-E102 PolarHBondContact O-N 2.93Å; L99-E102 PolarHBondContact O-N 3.05Å; F100-E102 VanDerWaalsContact C-N 3.32Å; F100-E102 PolarHBondContact O-N 3.14Å; E102-I104 VanDerWaalsContact C-N 3.34Å; E102-I104 PolarHBondContact O-N 2.8Å; E102-S105 WeakPolarHBondContact O-CB 3.44Å; E102-S105 PolarHBondContact O-N 2.72Å; E102-M106 HydrophobicContact CG-CE 3.94Å; E102-M106 PolarHBondContact O-N 2.97Å; E102-M106 VanDerWaalsContact O-N 3.09Å
103K90.9Very high92.1Very high117 Ų11758.1 Ų58.151%0.50928%0.276SS..Hα-helixtrans-57.2-45.7176.4-76.1177.2179.8-177.60112.1L99 F100 S105 M106 S107L99-K103 WeakPolarHBondContact O-CG 3.29Å; L99-K103 PolarHBondContact O-N 2.81Å; F100-K103 PolarHBondContact O-N 3.1Å; K103-S105 VanDerWaalsContact C-N 3.35Å; K103-S105 PolarHBondContact O-N 2.84Å; K103-M106 PolarHBondContact O-N 3.43Å; K103-S107 PolarHBondContact O-N 2.98Å; K103-S107 PolarHBondContact O-OG 3.18Å
104I90Very high92.4Very high8 Ų860.6 Ų60.64%0.04129%0.289CS..Hα-helixtrans-65.2-41.4179.7-74.6174.2000111.4V24 I27 F100 L101 E102 M106 S107 F233V24-I104 HydrophobicContact CG2-CG2 3.5Å; I27-I104 HydrophobicContact CD1-CD1 3.41Å; I27-I104 VanDerWaalsContact CD1-CD1 3.41Å; F100-I104 HydrophobicContact CD1-CD1 3.6Å; F100-I104 HydrophobicContact CD2-CD1 4.44Å; F100-I104 HydrophobicContact CE1-CD1 3.18Å; F100-I104 HydrophobicContact CE1-CG1 4.41Å; F100-I104 HydrophobicContact CE2-CD1 4.07Å; F100-I104 HydrophobicContact CG-CD1 4.24Å; F100-I104 HydrophobicContact CZ-CD1 3.44Å; F100-I104 VanDerWaalsContact CZ-CD1 3.44Å; F100-I104 HydrophobicContact CZ-CG1 4.44Å; F100-I104 WeakPolarHBondContact O-CG1 3.44Å; F100-I104 PolarHBondContact O-N 2.84Å; L101-I104 PolarHBondContact O-N 2.92Å; E102-I104 VanDerWaalsContact C-N 3.34Å; E102-I104 PolarHBondContact O-N 2.8Å; I104-M106 PolarHBondContact O-N 3.03Å; I104-S107 WeakPolarHBondContact O-CB 3.5Å; I104-S107 PolarHBondContact O-N 3.44Å; I104-S107 VanDerWaalsContact O-N 3.1Å; I104-F233 HydrophobicContact CB-CD1 4.21Å; I104-F233 HydrophobicContact CD1-CB 3.85Å; I104-F233 HydrophobicContact CD1-CD1 4.26Å; I104-F233 HydrophobicContact CD1-CG 4.17Å; I104-F233 HydrophobicContact CG1-CB 4.13Å; I104-F233 HydrophobicContact CG1-CD1 3.85Å; I104-F233 HydrophobicContact CG1-CG 4.25Å; I104-F233 HydrophobicContact CG2-CD1 3.56Å; I104-F233 HydrophobicContact CG2-CE1 3.55Å; I104-F233 HydrophobicContact CG2-CG 4.26Å; I104-F233 HydrophobicContact CG2-CZ 4.28Å
105S87.8Confident92.7Very high55 Ų5558.3 Ų58.339%0.38528%0.278SS..Hα-helixtrans-60.2-35.6177.6-60.20000111.8L101 E102 K103L101-S105 WeakPolarHBondContact O-CB 3.27Å; L101-S105 PolarHBondContact O-N 2.87Å; L101-S105 PolarHBondContact O-OG 2.68Å; E102-S105 WeakPolarHBondContact O-CB 3.44Å; E102-S105 PolarHBondContact O-N 2.72Å; K103-S105 VanDerWaalsContact C-N 3.35Å; K103-S105 PolarHBondContact O-N 2.84Å
106M90.5Very high92.8Very high101 Ų10153.5 Ų53.550%0.49826%0.256SS..Hα-helixtrans-81-19.9176.5-68.5-167.5-82.900114.6E102 K103 I104 R108 N109 K110E102-M106 HydrophobicContact CG-CE 3.94Å; E102-M106 PolarHBondContact O-N 2.97Å; E102-M106 VanDerWaalsContact O-N 3.09Å; K103-M106 PolarHBondContact O-N 3.43Å; I104-M106 PolarHBondContact O-N 3.03Å; M106-R108 VanDerWaalsContact C-N 3.34Å; M106-R108 PolarHBondContact O-N 3.22Å; M106-N109 PolarHBondContact O-N 3.17Å; M106-N109 VanDerWaalsContact O-N 3.15Å; M106-K110 PolarHBondContact O-N 3.3Å; M106-K110 VanDerWaalsContact O-N 3.11Å
107S92.6Very high92.9Very high6 Ų654.6 Ų54.64%0.04227%0.269CS..Hα-helixtrans-58.8-43.8-171.4-66.20000112.1K103 I104 N109 K110 V111K103-S107 PolarHBondContact O-N 2.98Å; K103-S107 PolarHBondContact O-OG 3.18Å; I104-S107 WeakPolarHBondContact O-CB 3.5Å; I104-S107 PolarHBondContact O-N 3.44Å; I104-S107 VanDerWaalsContact O-N 3.1Å; S107-N109 VanDerWaalsContact C-N 3.32Å; S107-N109 PolarHBondContact O-N 3.07Å; S107-K110 WeakPolarHBondContact O-CB 3.2Å; S107-K110 PolarHBondContact O-N 3.26Å; S107-K110 VanDerWaalsContact O-N 3.1Å; S107-V111 VanDerWaalsContact O-CG2 3.28Å; S107-V111 WeakPolarHBondContact O-CG2 3.29Å; S107-V111 PolarHBondContact O-N 3.45Å
108R92.9Very high93.1Very high39 Ų3958.1 Ų58.115%0.14729%0.285CS..Hα-helixtrans-56.3-43.8178-168.4-171.9-60.7170.5-4.9112.7D19 M106 A112 V133 R136D19-R108 PolarHBondContact O-NH1 3.03Å; D19-R108 PolarHBondContact O-NH2 3.06Å; D19-R108 VanDerWaalsContact O-NH2 3.12Å; M106-R108 VanDerWaalsContact C-N 3.34Å; M106-R108 PolarHBondContact O-N 3.22Å; R108-A112 PolarHBondContact O-N 2.8Å; R108-V133 HydrophobicContact CG-CG1 4.18Å; R108-V133 HydrophobicContact CG-CG2 4.34Å; R108-R136 HydrophobicContact CG-CB 4.38Å; R108-R136 HydrophobicContact CG-CG 4.1Å
109N93.2Very high93.2Very high92 Ų9254.5 Ų54.549%0.49227%0.268SS..Hα-helixtrans-70.4-35.5179.5-70.8-22.7000111.8M106 S107 A112 K113M106-N109 PolarHBondContact O-N 3.17Å; M106-N109 VanDerWaalsContact O-N 3.15Å; S107-N109 VanDerWaalsContact C-N 3.32Å; S107-N109 PolarHBondContact O-N 3.07Å; N109-A112 PolarHBondContact O-N 3.41Å; N109-K113 WeakPolarHBondContact O-CG 3.48Å; N109-K113 PolarHBondContact O-N 2.86Å
110K95.3Very high93.2Very high115 Ų11558.1 Ų58.150%0.528%0.28SS..Hα-helixtrans-64.6-45.4176-166.6174.2-179.8-164.90111M106 S107 A112 K113 L114 D284M106-K110 PolarHBondContact O-N 3.3Å; M106-K110 VanDerWaalsContact O-N 3.11Å; S107-K110 WeakPolarHBondContact O-CB 3.2Å; S107-K110 PolarHBondContact O-N 3.26Å; S107-K110 VanDerWaalsContact O-N 3.1Å; K110-A112 VanDerWaalsContact C-N 3.35Å; K110-A112 PolarHBondContact O-N 2.87Å; K110-K113 PolarHBondContact O-N 3.4Å; K110-L114 WeakPolarHBondContact O-CG 3.42Å; K110-L114 PolarHBondContact O-N 2.73Å; K110-L114 VanDerWaalsContact O-N 3.12Å; K110-D284 HydrophobicContact CB-CB 4.34Å; K110-D284 HydrophobicContact CD-CB 4.09Å; K110-D284 VanDerWaalsContact CD-O 3.3Å; K110-D284 WeakPolarHBondContact CD-O 3.37Å; K110-D284 WeakPolarHBondContact CE-O 3.3Å; K110-D284 PolarHBondContact NZ-O 3.31Å
111V95.9Very high93.3Very high0 Ų061.3 Ų61.30%030%0.298CS..Hα-helixtrans-59-45.4174.6177.10000111.3S107 K113 L114 C115 V133 V229 F282 T283 D284S107-V111 VanDerWaalsContact O-CG2 3.28Å; S107-V111 WeakPolarHBondContact O-CG2 3.29Å; S107-V111 PolarHBondContact O-N 3.45Å; V111-K113 VanDerWaalsContact C-N 3.35Å; V111-K113 PolarHBondContact O-N 3.2Å; V111-L114 PolarHBondContact O-N 2.98Å; V111-L114 VanDerWaalsContact O-N 3.13Å; V111-C115 PolarHBondContact O-N 3.29Å; V111-V133 HydrophobicContact CB-CG1 4.2Å; V111-V133 HydrophobicContact CG1-CG1 3.8Å; V111-V229 HydrophobicContact CG1-CG1 3.15Å; V111-F282 HydrophobicContact CG1-CB 4.35Å; V111-T283 VanDerWaalsContact CG2-C 3.48Å; V111-D284 HydrophobicContact CG2-CB 4.24Å; V111-D284 VanDerWaalsContact CG2-N 3.34Å
112A95.3Very high93.5Very high5 Ų563.4 Ų63.44%0.04132%0.32CS..Hα-helixtrans-59.1-4317700000112.9R108 N109 K110 L114 H116 R136 V137 K140R108-A112 PolarHBondContact O-N 2.8Å; N109-A112 PolarHBondContact O-N 3.41Å; K110-A112 VanDerWaalsContact C-N 3.35Å; K110-A112 PolarHBondContact O-N 2.87Å; A112-L114 VanDerWaalsContact C-N 3.28Å; A112-L114 PolarHBondContact O-N 3.33Å; A112-H116 PolarHBondContact O-CD2 2.83Å; A112-H116 PolarHBondContact O-N 3.05Å; A112-R136 HydrophobicContact CB-CB 4.27Å; A112-V137 HydrophobicContact CB-CG2 4.31Å; A112-K140 HydrophobicContact CB-CB 4.37Å
113K95.4Very high93.7Very high136 Ų13658.3 Ų58.359%0.59130%0.297SS*.Hα-helixtrans-65.7-25.8175.9-74.1176.7-178.3-179.10113.8N109 K110 V111 H116N109-K113 WeakPolarHBondContact O-CG 3.48Å; N109-K113 PolarHBondContact O-N 2.86Å; K110-K113 PolarHBondContact O-N 3.4Å; V111-K113 VanDerWaalsContact C-N 3.35Å; V111-K113 PolarHBondContact O-N 3.2Å; K113-H116 VanDerWaalsContact C-CD2 3.45Å; K113-H116 PolarHBondContact O-CD2 3.19Å; K113-H116 PolarHBondContact O-NE2 2.97Å; K113-H116 VanDerWaalsContact O-NE2 3.15Å
114L95.8Very high94Very high57 Ų5756.6 Ų56.630%0.29829%0.29SS..Hα-helixtrans-83-52.5175.9-68.9168.8000110.8K110 V111 A112 H116 T117 T283K110-L114 WeakPolarHBondContact O-CG 3.42Å; K110-L114 PolarHBondContact O-N 2.73Å; K110-L114 VanDerWaalsContact O-N 3.12Å; V111-L114 PolarHBondContact O-N 2.98Å; V111-L114 VanDerWaalsContact O-N 3.13Å; A112-L114 VanDerWaalsContact C-N 3.28Å; A112-L114 PolarHBondContact O-N 3.33Å; L114-H116 PolarHBondContact O-N 2.8Å; L114-T117 PolarHBondContact O-N 3.45Å; L114-T117 PolarHBondContact O-OG1 3.1Å; L114-T283 VanDerWaalsContact CD1-O 3.25Å; L114-T283 WeakPolarHBondContact CD1-O 3.13Å
115C95.3Very high94.4Very high0 Ų056.2 Ų56.20%029%0.288CS..Hα-helixtrans-69.6-31.6-170.7-170.20000113.5V111 T117 F118 V137 F282V111-C115 PolarHBondContact O-N 3.29Å; C115-T117 PolarHBondContact O-N 2.76Å; C115-T117 VanDerWaalsContact O-N 3.08Å; C115-F118 PolarHBondContact O-N 3.03Å; C115-V137 HydrophobicContact CB-CG1 3.77Å; C115-V137 HydrophobicContact CB-CG2 3.91Å; C115-F282 HydrophobicContact CB-CB 4.18Å; C115-F282 HydrophobicContact CB-CD1 3.86Å; C115-F282 HydrophobicContact CB-CD2 4.44Å; C115-F282 HydrophobicContact CB-CE1 4.4Å; C115-F282 HydrophobicContact CB-CG 3.89Å
116H93.6Very high94.9Very high28 Ų2853.6 Ų53.613%0.1327%0.27CS..G310 helixtrans-61.4-23.9-177.383102.2000112.9A112 K113 L114 F118 I119 K140 A141 K146A112-H116 PolarHBondContact O-CD2 2.83Å; A112-H116 PolarHBondContact O-N 3.05Å; K113-H116 VanDerWaalsContact C-CD2 3.45Å; K113-H116 PolarHBondContact O-CD2 3.19Å; K113-H116 PolarHBondContact O-NE2 2.97Å; K113-H116 VanDerWaalsContact O-NE2 3.15Å; L114-H116 PolarHBondContact O-N 2.8Å; H116-F118 VanDerWaalsContact C-N 3.26Å; H116-F118 PolarHBondContact O-N 3.49Å; H116-I119 PolarHBondContact O-N 3.23Å; H116-K140 HydrophobicContact CB-CB 4.47Å; H116-K140 HydrophobicContact CB-CG 4.21Å; H116-A141 HydrophobicContact CB-CB 4.23Å; H116-K146 PolarHBondContact O-NZ 3.31Å
117T94.3Very high95.2Very high82 Ų8248.8 Ų48.850%0.50325%0.246SC..G310 helixtrans-66.2-28.9178.4630000112.5L114 C115 I119L114-T117 PolarHBondContact O-N 3.45Å; L114-T117 PolarHBondContact O-OG1 3.1Å; C115-T117 PolarHBondContact O-N 2.76Å; C115-T117 VanDerWaalsContact O-N 3.08Å; T117-I119 VanDerWaalsContact C-N 3.33Å
118F94.8Very high95.4Very high74 Ų7448.6 Ų48.633%0.32525%0.245SC..G310 helixtrans-79.9-15.1179.6-73.6-104.1000113.3C115 H116 K120 Y227 L280 F282 V287C115-F118 PolarHBondContact O-N 3.03Å; H116-F118 VanDerWaalsContact C-N 3.26Å; H116-F118 PolarHBondContact O-N 3.49Å; F118-K120 PolarHBondContact O-N 3.01Å; F118-Y227 HydrophobicContact CB-CE2 4.43Å; F118-L280 HydrophobicContact CD1-CD1 4.48Å; F118-L280 HydrophobicContact CE1-CD1 3.86Å; F118-F282 HydrophobicContact CB-CZ 4.18Å; F118-F282 HydrophobicContact CD1-CE1 4.38Å; F118-F282 AromaticContact CD1-CZ 3.82Å; F118-F282 HydrophobicContact CD1-CZ 3.82Å; F118-F282 AromaticContact CD2-CE1 3.39Å; F118-F282 HydrophobicContact CD2-CE1 3.39Å; F118-F282 AromaticContact CD2-CZ 3.6Å; F118-F282 HydrophobicContact CD2-CZ 3.6Å; F118-F282 HydrophobicContact CE1-CE1 4.41Å; F118-F282 HydrophobicContact CE1-CZ 4.06Å; F118-F282 AromaticContact CE2-CE1 3.46Å; F118-F282 HydrophobicContact CE2-CE1 3.46Å; F118-F282 VanDerWaalsContact CE2-CE1 3.46Å; F118-F282 AromaticContact CE2-CZ 3.89Å; F118-F282 HydrophobicContact CE2-CZ 3.89Å; F118-F282 AromaticContact CG-CE1 3.9Å; F118-F282 HydrophobicContact CG-CE1 3.9Å; F118-F282 AromaticContact CG-CZ 3.58Å; F118-F282 HydrophobicContact CG-CZ 3.58Å; F118-F282 AromaticContact CZ-CE1 3.98Å; F118-F282 HydrophobicContact CZ-CE1 3.98Å; F118-F282 HydrophobicContact CZ-CZ 4.1Å; F118-V287 HydrophobicContact CE2-CG2 4.21Å; F118-V287 HydrophobicContact CZ-CG1 4.48Å; F118-V287 HydrophobicContact CZ-CG2 4.38Å
119I94.9Very high95.4Very high1 Ų147 Ų471%0.00524%0.239CC..  trans-80.8115.6173.5-60.1171000108.4H116 T117 A123 I125 V137 L138 A141 K146 F148 I194H116-I119 PolarHBondContact O-N 3.23Å; T117-I119 VanDerWaalsContact C-N 3.33Å; I119-A123 HydrophobicContact CG2-CB 4.5Å; I119-I125 HydrophobicContact CD1-CD1 3.92Å; I119-I125 HydrophobicContact CG1-CD1 4.06Å; I119-I125 HydrophobicContact CG2-CD1 3.82Å; I119-V137 HydrophobicContact CD1-CG1 3.95Å; I119-L138 HydrophobicContact CD1-CD2 3.97Å; I119-A141 HydrophobicContact CD1-CB 3.93Å; I119-K146 WeakPolarHBondContact O-CD 3.35Å; I119-K146 PolarHBondContact O-NZ 3.29Å; I119-F148 HydrophobicContact CG2-CB 4.48Å; I119-I194 HydrophobicContact CD1-CD1 4Å; I119-I194 HydrophobicContact CG1-CD1 4.09Å
120K93.8Very high95.5Very high166 Ų16645.2 Ų45.272%0.72223%0.226SC*.  trans-83.2157.2176.7-63.9-177179.91790111.3F118 A123F118-K120 PolarHBondContact O-N 3.01Å; K120-A123 VanDerWaalsContact O-CB 3.22Å; K120-A123 WeakPolarHBondContact O-CB 3.33Å; K120-A123 PolarHBondContact O-N 3.49Å
121D94.8Very high95.5Very high88 Ų8840.5 Ų40.547%0.47121%0.207SC..THydrogen-bonded Turntrans-66.2136.5171.3-166.549.3000110.1A123 R147D121-A123 VanDerWaalsContact C-N 3.32Å; D121-R147 WeakPolarHBondContact OD1-CA 3.32Å; D121-R147 VanDerWaalsContact OD1-CB 3.26Å; D121-R147 WeakPolarHBondContact OD1-CB 3.4Å; D121-R147 PolarHBondContact OD1-N 3.4Å; D121-R147 IonicContact OD1-NE 3.83Å; D121-R147 IonicContact OD2-CZ 2.68Å; D121-R147 IonicContact OD2-NE 3.26Å; D121-R147 PolarHBondContact OD2-NE 2.99Å; D121-R147 IonicContact OD2-NH2 3.91Å; D121-R147 PolarHBondContact OD2-NH2 3.39Å
122G94.9Very high95.3Very high49 Ų4944.3 Ų44.351%0.50522%0.222SC..THydrogen-bonded Turntrans80.31.9-173.800000115.6R147G122-R147 WeakPolarHBondContact CA-O 3.41Å; G122-R147 PolarHBondContact N-O 2.96Å
123A96.4Very high95.3Very high5 Ų544.1 Ų44.14%0.04122%0.22CC..EExtended strand (participates in β ladder)trans-68.4144.5-173.900000113.3I119 K120 D121 F148 S149 D191 L192I119-A123 HydrophobicContact CG2-CB 4.5Å; K120-A123 VanDerWaalsContact O-CB 3.22Å; K120-A123 WeakPolarHBondContact O-CB 3.33Å; K120-A123 PolarHBondContact O-N 3.49Å; D121-A123 VanDerWaalsContact C-N 3.32Å; A123-F148 VanDerWaalsContact O-CA 3.22Å; A123-F148 WeakPolarHBondContact O-CA 3.31Å; A123-F148 WeakPolarHBondContact O-CB 3.42Å; A123-S149 PolarHBondContact O-N 3.26Å; A123-D191 WeakPolarHBondContact CA-OD2 3.28Å; A123-L192 HydrophobicContact CB-CD2 4.38Å
124K97.4Very high95.3Very high82 Ų8237.7 Ų37.736%0.35719%0.192SC..EExtended strand (participates in β ladder)trans-103.4118.3170.1-65.9173.4178.1176.20109.1S149 Y151 K189 V190 D191 L192K124-S149 WeakPolarHBondContact CA-O 3.06Å; K124-S149 WeakPolarHBondContact CG-OG 3.45Å; K124-Y151 HydrophobicContact CB-CE2 4.42Å; K124-K189 WeakPolarHBondContact CD-O 3.38Å; K124-V190 WeakPolarHBondContact O-CG1 3.5Å; K124-D191 PolarHBondContact N-OD2 3.14Å; K124-D191 PolarHBondContact O-N 2.91Å; K124-L192 PolarHBondContact O-N 2.86Å
125I97.8Very high95.3Very high0 Ų036 Ų360%018%0.183CC..EExtended strand (participates in β ladder)trans-109.9135.7-172.9-54177.6000109.1I119 L138 F148 S149 V150 Y151 L192 I194I119-I125 HydrophobicContact CD1-CD1 3.92Å; I119-I125 HydrophobicContact CG1-CD1 4.06Å; I119-I125 HydrophobicContact CG2-CD1 3.82Å; I125-L138 HydrophobicContact CD1-CD2 3.67Å; I125-F148 HydrophobicContact CD1-CB 4.41Å; I125-F148 HydrophobicContact CD1-CD2 3.91Å; I125-F148 HydrophobicContact CD1-CG 4.3Å; I125-S149 PolarHBondContact N-O 3.39Å; I125-V150 HydrophobicContact CB-CG2 4.49Å; I125-V150 CarbonylContact O-C 3.58Å; I125-V150 WeakPolarHBondContact O-CA 3.28Å; I125-Y151 PolarHBondContact O-N 3.13Å; I125-L192 WeakPolarHBondContact CA-O 3.12Å; I125-L192 HydrophobicContact CB-CD1 4.38Å; I125-L192 HydrophobicContact CD1-CD1 4.48Å; I125-L192 HydrophobicContact CG1-CD1 3.97Å; I125-L192 HydrophobicContact CG1-CG 4.25Å; I125-L192 HydrophobicContact CG2-CD1 3.92Å; I125-I194 HydrophobicContact CD1-CD1 4.4Å; I125-I194 HydrophobicContact CG2-CB 4.23Å; I125-I194 HydrophobicContact CG2-CD1 4Å; I125-I194 HydrophobicContact CG2-CG1 4.12Å
126L97.8Very high95.3Very high0 Ų039.4 Ų39.40%020%0.196CC..EExtended strand (participates in β ladder)trans-104.6133.8166.4179.764.6000109.7Y151 T153 V183 L187 V190 L192 V193 I194 M215L126-Y151 WeakPolarHBondContact CA-O 3.31Å; L126-T153 HydrophobicContact CD1-CG2 4.33Å; L126-V183 HydrophobicContact CD2-CG1 4.07Å; L126-L187 HydrophobicContact CD2-CD2 3.91Å; L126-L187 HydrophobicContact CD2-CG 4.1Å; L126-V190 HydrophobicContact CB-CB 4.49Å; L126-V190 HydrophobicContact CB-CG1 3.77Å; L126-V190 HydrophobicContact CB-CG2 4.01Å; L126-L192 PolarHBondContact N-O 3.16Å; L126-V193 HydrophobicContact CB-CG1 4.42Å; L126-V193 HydrophobicContact CB-CG2 4.1Å; L126-V193 HydrophobicContact CD2-CG2 4.21Å; L126-V193 WeakPolarHBondContact O-CA 3.4Å; L126-I194 PolarHBondContact O-N 3.17Å; L126-M215 HydrophobicContact CD1-CE 4.46Å; L126-M215 HydrophobicContact CD2-CE 4.06Å; L126-M215 HydrophobicContact CD2-CG 4.11Å; L126-M215 HydrophobicContact CD2-SD 3.97Å; L126-M215 HydrophobicContact CG-CE 4.05Å; L126-M215 HydrophobicContact CG-SD 4.05Å
127T97.3Very high95.5Very high0 Ų038.1 Ų38.10%019%0.19CC..EExtended strand (participates in β ladder)trans-127.1151.4172.4-176.90000111.3V150 Y151 V152 T153 I194T127-V150 HydrophobicContact CG2-CG1 3.81Å; T127-Y151 PolarHBondContact N-O 2.92Å; T127-V152 HydrophobicContact CG2-CB 4.2Å; T127-V152 HydrophobicContact CG2-CG1 4.18Å; T127-V152 HydrophobicContact CG2-CG2 3.68Å; T127-T153 PolarHBondContact O-N 3.33Å; T127-I194 VanDerWaalsContact CA-O 3.27Å; T127-I194 WeakPolarHBondContact CA-O 3.15Å; T127-I194 WeakPolarHBondContact CB-O 3.25Å; T127-I194 PolarHBondContact OG1-O 3.13Å
128H96.4Very high95.6Very high2 Ų234.2 Ų34.21%0.00917%0.166CC..  trans-103.3127.3175.7-169.151.1000111.1T153 V195 I210 T212 M215H128-T153 WeakPolarHBondContact CA-OG1 3.43Å; H128-T153 PolarHBondContact ND1-OG1 2.98Å; H128-V195 HydrophobicContact CB-CG1 3.98Å; H128-I210 PolarHBondContact CE1-O 2.92Å; H128-I210 PolarHBondContact NE2-O 3.49Å; H128-T212 PolarHBondContact CD2-OG1 3.37Å; H128-M215 HydrophobicContact CB-CE 3.53Å; H128-M215 HydrophobicContact CB-SD 3.97Å
129S93.9Very high95.6Very high5 Ų534 Ų344%0.03517%0.166CC..SBendtrans58.1-161.4175.7-149.50000115.2T153 S155 K209S129-T153 PolarHBondContact N-OG1 3.19Å; S129-S155 WeakPolarHBondContact CB-OG 3.22Å; S129-S155 VanDerWaalsContact OG-CB 3.25Å; S129-S155 WeakPolarHBondContact OG-CB 3.49Å; S129-S155 PolarHBondContact OG-OG 3.21Å; S129-K209 VanDerWaalsContact OG-CD 3.29Å; S129-K209 WeakPolarHBondContact OG-CD 3.46Å; S129-K209 PolarHBondContact OG-NZ 3.45Å
130Y94.9Very high95.7Very high54 Ų5436.9 Ų36.921%0.21218%0.179CC..  trans-94122.1169.7180-101.5000111R132 L135 A160 M164Y130-R132 HydrophobicContact CE1-CG 3.77Å; Y130-L135 HydrophobicContact CE2-CD2 4.25Å; Y130-A160 WeakPolarHBondContact CB-O 3.49Å; Y130-M164 HydrophobicContact CD2-CB 3.88Å; Y130-M164 HydrophobicContact CD2-SD 3.91Å; Y130-M164 HydrophobicContact CE2-SD 4.33Å
131S94.4Very high95.8Very high16 Ų1629 Ų2911%0.11214%0.144CC..  trans-131.6123.2172.7170.60000110.5V133 V134 L135S131-V133 VanDerWaalsContact C-N 3.3Å; S131-V133 PolarHBondContact O-N 2.72Å; S131-V134 PolarHBondContact O-N 3.1Å; S131-V134 WeakPolarHBondContact OG-CG2 3.5Å; S131-V134 PolarHBondContact OG-N 3.31Å; S131-L135 WeakPolarHBondContact O-CB 3.41Å; S131-L135 PolarHBondContact O-N 3.39Å
132R92.8Very high95.8Very high80 Ų8026.2 Ų26.230%0.30213%0.134SC..Hα-helixtrans-60.4-39.9178.8-64.9178.8176.1106.6-10.2111.8P18 D19 M20 Y130 R136P18-R132 PolarHBondContact O-NH2 3.09Å; D19-R132 WeakPolarHBondContact O-CD 3.46Å; M20-R132 PolarHBondContact O-NH2 3.4Å; Y130-R132 HydrophobicContact CE1-CG 3.77Å; R132-R136 WeakPolarHBondContact O-CG 3.32Å; R132-R136 PolarHBondContact O-N 3.41Å; R132-R136 VanDerWaalsContact O-N 3.13Å
133V94.5Very high95.8Very high2 Ų227.3 Ų27.31%0.01214%0.138CC..Hα-helixtrans-72.5-42.8-178.2-162.20000110.7R108 V111 S131 L135 R136 V137 V229 E231R108-V133 HydrophobicContact CG-CG1 4.18Å; R108-V133 HydrophobicContact CG-CG2 4.34Å; V111-V133 HydrophobicContact CB-CG1 4.2Å; V111-V133 HydrophobicContact CG1-CG1 3.8Å; S131-V133 VanDerWaalsContact C-N 3.3Å; S131-V133 PolarHBondContact O-N 2.72Å; V133-L135 VanDerWaalsContact C-N 3.3Å; V133-L135 PolarHBondContact O-N 3.47Å; V133-R136 PolarHBondContact O-N 3.41Å; V133-R136 VanDerWaalsContact O-N 3.16Å; V133-V137 VanDerWaalsContact O-CG2 3.32Å; V133-V137 WeakPolarHBondContact O-CG2 3.48Å; V133-V137 PolarHBondContact O-N 2.79Å; V133-V229 HydrophobicContact CB-CG1 4.1Å; V133-V229 HydrophobicContact CG1-CG1 3.43Å; V133-V229 VanDerWaalsContact CG1-CG1 3.43Å; V133-E231 HydrophobicContact CG2-CG 4.44Å; V133-E231 WeakPolarHBondContact CG2-OE1 3.28Å; V133-E231 VanDerWaalsContact CG2-OE2 3.31Å; V133-E231 WeakPolarHBondContact CG2-OE2 3.06Å
134V96.5Very high95.6Very high0 Ų031.6 Ų31.60%016%0.157CC..Hα-helixtrans-62.2-41.4176.2178.10000110.3S131 R136 V137 L138 M164 I194 V229S131-V134 PolarHBondContact O-N 3.1Å; S131-V134 WeakPolarHBondContact OG-CG2 3.5Å; S131-V134 PolarHBondContact OG-N 3.31Å; V134-R136 VanDerWaalsContact C-N 3.33Å; V134-R136 PolarHBondContact O-N 3.24Å; V134-V137 WeakPolarHBondContact O-CB 3.14Å; V134-V137 PolarHBondContact O-N 2.93Å; V134-L138 HydrophobicContact CG1-CD1 3.94Å; V134-L138 HydrophobicContact CG1-CG 4.29Å; V134-L138 VanDerWaalsContact O-CG 3.31Å; V134-L138 WeakPolarHBondContact O-CG 3.29Å; V134-L138 PolarHBondContact O-N 3.01Å; V134-M164 HydrophobicContact CB-CE 4.47Å; V134-M164 HydrophobicContact CG1-CE 4.09Å; V134-I194 HydrophobicContact CB-CG2 4.48Å; V134-I194 HydrophobicContact CG1-CG2 3.88Å; V134-I194 HydrophobicContact CG2-CG2 3.89Å; V134-V229 HydrophobicContact CG2-CB 4.42Å
135L95.9Very high95.4Very high21 Ų2136.7 Ų36.711%0.1118%0.179CC..Hα-helixtrans-58.1-45.1174.6-17862.8000111.5Y130 S131 V133 V137 L138 E139 M164 A167 L168 L171Y130-L135 HydrophobicContact CE2-CD2 4.25Å; S131-L135 WeakPolarHBondContact O-CB 3.41Å; S131-L135 PolarHBondContact O-N 3.39Å; V133-L135 VanDerWaalsContact C-N 3.3Å; V133-L135 PolarHBondContact O-N 3.47Å; L135-V137 PolarHBondContact O-N 3.45Å; L135-L138 PolarHBondContact O-N 3.4Å; L135-E139 VanDerWaalsContact O-CB 3.29Å; L135-E139 WeakPolarHBondContact O-CB 3.36Å; L135-E139 PolarHBondContact O-N 3.32Å; L135-M164 HydrophobicContact CB-CE 3.93Å; L135-M164 HydrophobicContact CB-SD 4.06Å; L135-M164 HydrophobicContact CD1-CE 4.13Å; L135-M164 HydrophobicContact CD1-SD 4.23Å; L135-A167 HydrophobicContact CD1-CB 3.91Å; L135-A167 HydrophobicContact CD2-CB 3.9Å; L135-L168 HydrophobicContact CD1-CD2 3.8Å; L135-L168 HydrophobicContact CD1-CG 4.17Å; L135-L171 HydrophobicContact CD1-CD1 4.11Å
136R95.6Very high95.2Very high73 Ų7339.2 Ų39.228%0.27519%0.191SC..Hα-helixtrans-66-35.3176.7-65.8-52.3176.9167.5-3.5113.4D19 R108 A112 R132 V133 V134 E139 K140D19-R136 IonicContact OD2-NH2 3.5Å; R108-R136 HydrophobicContact CG-CB 4.38Å; R108-R136 HydrophobicContact CG-CG 4.1Å; A112-R136 HydrophobicContact CB-CB 4.27Å; R132-R136 WeakPolarHBondContact O-CG 3.32Å; R132-R136 PolarHBondContact O-N 3.41Å; R132-R136 VanDerWaalsContact O-N 3.13Å; V133-R136 PolarHBondContact O-N 3.41Å; V133-R136 VanDerWaalsContact O-N 3.16Å; V134-R136 VanDerWaalsContact C-N 3.33Å; V134-R136 PolarHBondContact O-N 3.24Å; R136-E139 WeakPolarHBondContact CD-OE2 3.37Å; R136-E139 IonicContact CZ-OE2 2.78Å; R136-E139 IonicContact NE-OE2 3.54Å; R136-E139 IonicContact NH1-OE1 2.72Å; R136-E139 PolarHBondContact NH1-OE1 3.24Å; R136-E139 IonicContact NH1-OE2 2.69Å; R136-E139 PolarHBondContact NH1-OE2 3.4Å; R136-K140 WeakPolarHBondContact O-CB 3.47Å; R136-K140 PolarHBondContact O-N 2.8Å
137V96.6Very high95.1Very high0 Ų047.7 Ų47.70%022%0.222CC..Hα-helixtrans-61.6-48172.5172.80000110.5A112 C115 I119 V133 V134 L135 K140 A141 V229A112-V137 HydrophobicContact CB-CG2 4.31Å; C115-V137 HydrophobicContact CB-CG1 3.77Å; C115-V137 HydrophobicContact CB-CG2 3.91Å; I119-V137 HydrophobicContact CD1-CG1 3.95Å; V133-V137 VanDerWaalsContact O-CG2 3.32Å; V133-V137 WeakPolarHBondContact O-CG2 3.48Å; V133-V137 PolarHBondContact O-N 2.79Å; V134-V137 WeakPolarHBondContact O-CB 3.14Å; V134-V137 PolarHBondContact O-N 2.93Å; L135-V137 PolarHBondContact O-N 3.45Å; V137-K140 PolarHBondContact O-N 2.8Å; V137-A141 PolarHBondContact O-N 3.33Å; V137-V229 HydrophobicContact CG2-CG1 3.92Å
138L96.3Very high95.1Very high0 Ų048.4 Ų48.40%023%0.226CC..Hα-helixtrans-69.6-38.5-178.6-64.2175.1000111.8I119 I125 V134 L135 K140 A141 A142 F148 V150 M164 L168I119-L138 HydrophobicContact CD1-CD2 3.97Å; I125-L138 HydrophobicContact CD1-CD2 3.67Å; V134-L138 HydrophobicContact CG1-CD1 3.94Å; V134-L138 HydrophobicContact CG1-CG 4.29Å; V134-L138 VanDerWaalsContact O-CG 3.31Å; V134-L138 WeakPolarHBondContact O-CG 3.29Å; V134-L138 PolarHBondContact O-N 3.01Å; L135-L138 PolarHBondContact O-N 3.4Å; L138-K140 VanDerWaalsContact C-N 3.34Å; L138-A141 PolarHBondContact O-N 3.12Å; L138-A142 WeakPolarHBondContact O-CB 3.48Å; L138-A142 PolarHBondContact O-N 3.1Å; L138-F148 HydrophobicContact CB-CE2 4.29Å; L138-F148 HydrophobicContact CB-CZ 4.28Å; L138-F148 HydrophobicContact CD2-CD2 4.38Å; L138-F148 HydrophobicContact CD2-CE2 3.78Å; L138-F148 HydrophobicContact CD2-CZ 4.3Å; L138-F148 WeakPolarHBondContact O-CZ 3.13Å; L138-V150 HydrophobicContact CD1-CG1 4.44Å; L138-V150 HydrophobicContact CD1-CG2 4.21Å; L138-M164 HydrophobicContact CD1-CE 3.89Å; L138-L168 HydrophobicContact CB-CD2 3.93Å; L138-L168 HydrophobicContact CD1-CD1 4.08Å; L138-L168 HydrophobicContact CD1-CD2 3.75Å
139E95.9Very high95.1Very high69 Ų6949.8 Ų49.832%0.32224%0.235SC..Hα-helixtrans-58.8-46.4171.8-178-175.8-159.200110.9L135 R136 A141 A142 A143 L171L135-E139 VanDerWaalsContact O-CB 3.29Å; L135-E139 WeakPolarHBondContact O-CB 3.36Å; L135-E139 PolarHBondContact O-N 3.32Å; R136-E139 WeakPolarHBondContact CD-OE2 3.37Å; R136-E139 IonicContact CZ-OE2 2.78Å; R136-E139 IonicContact NE-OE2 3.54Å; R136-E139 IonicContact NH1-OE1 2.72Å; R136-E139 PolarHBondContact NH1-OE1 3.24Å; R136-E139 IonicContact NH1-OE2 2.69Å; R136-E139 PolarHBondContact NH1-OE2 3.4Å; E139-A141 VanDerWaalsContact C-N 3.35Å; E139-A141 PolarHBondContact O-N 2.95Å; E139-A142 PolarHBondContact O-N 3.2Å; E139-A143 WeakPolarHBondContact O-CB 3.45Å; E139-A143 PolarHBondContact O-N 2.82Å; E139-L171 HydrophobicContact CB-CD1 3.94Å; E139-L171 HydrophobicContact CG-CD1 4.23Å; E139-L171 HydrophobicContact CG-CD2 4.22Å
140K95.8Very high95.3Very high62 Ų6249.6 Ų49.627%0.2723%0.234SC..Hα-helixtrans-63.4-41.1176.1-174.853.2169.6158.70111.6A112 H116 R136 V137 L138 A142 A143 E144A112-K140 HydrophobicContact CB-CB 4.37Å; H116-K140 HydrophobicContact CB-CB 4.47Å; H116-K140 HydrophobicContact CB-CG 4.21Å; R136-K140 WeakPolarHBondContact O-CB 3.47Å; R136-K140 PolarHBondContact O-N 2.8Å; V137-K140 PolarHBondContact O-N 2.8Å; L138-K140 VanDerWaalsContact C-N 3.34Å; K140-A142 VanDerWaalsContact C-N 3.34Å; K140-A142 PolarHBondContact O-N 3.08Å; K140-A143 PolarHBondContact O-N 2.94Å; K140-E144 WeakPolarHBondContact CE-OE1 3.28Å; K140-E144 IonicContact NZ-OE1 3.83Å; K140-E144 PolarHBondContact NZ-OE1 3.2Å; K140-E144 WeakPolarHBondContact O-CG 3.35Å; K140-E144 PolarHBondContact O-N 2.88Å; K140-E144 VanDerWaalsContact O-N 3.1Å
141A95.6Very high95.4Very high0 Ų048.9 Ų48.90%023%0.232CC..Hα-helixtrans-62.4-40.1175.800000112.5H116 I119 V137 L138 E139 E144 K146 F148H116-A141 HydrophobicContact CB-CB 4.23Å; I119-A141 HydrophobicContact CD1-CB 3.93Å; V137-A141 PolarHBondContact O-N 3.33Å; L138-A141 PolarHBondContact O-N 3.12Å; E139-A141 VanDerWaalsContact C-N 3.35Å; E139-A141 PolarHBondContact O-N 2.95Å; A141-E144 PolarHBondContact O-N 3.07Å; A141-K146 WeakPolarHBondContact O-CB 3.26Å; A141-K146 PolarHBondContact O-N 3.13Å; A141-F148 HydrophobicContact CB-CD1 4.48Å; A141-F148 HydrophobicContact CB-CE1 3.79Å; A141-F148 HydrophobicContact CB-CZ 4.21Å
142A94.7Very high95.6Very high30 Ų3048.1 Ų48.125%0.24823%0.226CC..Hα-helixtrans-67.9-39.2175.600000112.1L138 E139 K140 E144 K145 F148 V173L138-A142 WeakPolarHBondContact O-CB 3.48Å; L138-A142 PolarHBondContact O-N 3.1Å; E139-A142 PolarHBondContact O-N 3.2Å; K140-A142 VanDerWaalsContact C-N 3.34Å; K140-A142 PolarHBondContact O-N 3.08Å; A142-E144 VanDerWaalsContact C-N 3.26Å; A142-E144 PolarHBondContact O-N 3.07Å; A142-K145 WeakPolarHBondContact O-CA 3.33Å; A142-K145 PolarHBondContact O-N 2.86Å; A142-F148 HydrophobicContact CB-CE1 4.22Å; A142-F148 HydrophobicContact CB-CZ 4.24Å; A142-V173 HydrophobicContact CB-CG2 4.22Å
143A94.6Very high95.8Very high72 Ų7244.3 Ų44.360%0.59521%0.212SC*.Hα-helixtrans-62.2-33.4175.300000112.6E139 K140 K145E139-A143 WeakPolarHBondContact O-CB 3.45Å; E139-A143 PolarHBondContact O-N 2.82Å; K140-A143 PolarHBondContact O-N 2.94Å; A143-K145 PolarHBondContact O-N 3.39Å
144E93.9Very high95.7Very high96 Ų9645.4 Ų45.445%0.44922%0.217SC..THydrogen-bonded Turntrans-78.412171.7-60.9-62.6152.100113.2K140 A141 A142 K146K140-E144 WeakPolarHBondContact CE-OE1 3.28Å; K140-E144 IonicContact NZ-OE1 3.83Å; K140-E144 PolarHBondContact NZ-OE1 3.2Å; K140-E144 WeakPolarHBondContact O-CG 3.35Å; K140-E144 PolarHBondContact O-N 2.88Å; K140-E144 VanDerWaalsContact O-N 3.1Å; A141-E144 PolarHBondContact O-N 3.07Å; A142-E144 VanDerWaalsContact C-N 3.26Å; A142-E144 PolarHBondContact O-N 3.07Å; E144-K146 HydrophobicContact CB-CG 4.5Å; E144-K146 PolarHBondContact O-N 3.26Å
145K92.8Very high95.5Very high188 Ų18845.4 Ų45.482%0.81722%0.217SC*.THydrogen-bonded Turntrans58.927.1177.7-56.5-178.1179.8179.20114.9A142 A143A142-K145 WeakPolarHBondContact O-CA 3.33Å; A142-K145 PolarHBondContact O-N 2.86Å; A143-K145 PolarHBondContact O-N 3.39Å
146K94.1Very high95.2Very high54 Ų5448.9 Ų48.924%0.23523%0.233CC..  trans-74.3135.7171.9-61.3-174.9174.5-168.40109.8H116 I119 A141 E144 F148H116-K146 PolarHBondContact O-NZ 3.31Å; I119-K146 WeakPolarHBondContact O-CD 3.35Å; I119-K146 PolarHBondContact O-NZ 3.29Å; A141-K146 WeakPolarHBondContact O-CB 3.26Å; A141-K146 PolarHBondContact O-N 3.13Å; E144-K146 HydrophobicContact CB-CG 4.5Å; E144-K146 PolarHBondContact O-N 3.26Å; K146-F148 HydrophobicContact CB-CD1 4.25Å; K146-F148 WeakPolarHBondContact O-CD1 3.44Å
147R94.9Very high94.6Very high177 Ų17748.2 Ų48.267%0.66824%0.238SC*.  trans-89.8122.2173.5-56.6176.6-65.3176.41108D121 G122D121-R147 WeakPolarHBondContact OD1-CA 3.32Å; D121-R147 VanDerWaalsContact OD1-CB 3.26Å; D121-R147 WeakPolarHBondContact OD1-CB 3.4Å; D121-R147 PolarHBondContact OD1-N 3.4Å; D121-R147 IonicContact OD1-NE 3.83Å; D121-R147 IonicContact OD2-CZ 2.68Å; D121-R147 IonicContact OD2-NE 3.26Å; D121-R147 PolarHBondContact OD2-NE 2.99Å; D121-R147 IonicContact OD2-NH2 3.91Å; D121-R147 PolarHBondContact OD2-NH2 3.39Å; G122-R147 WeakPolarHBondContact CA-O 3.41Å; G122-R147 PolarHBondContact N-O 2.96Å
148F96.7Very high94.2Very high15 Ų1552.7 Ų52.77%0.06626%0.262CS..EExtended strand (participates in β ladder)trans-151164.1175.659.1-86000109.1I119 A123 I125 L138 A141 A142 K146 V150 V173 P174I119-F148 HydrophobicContact CG2-CB 4.48Å; A123-F148 VanDerWaalsContact O-CA 3.22Å; A123-F148 WeakPolarHBondContact O-CA 3.31Å; A123-F148 WeakPolarHBondContact O-CB 3.42Å; I125-F148 HydrophobicContact CD1-CB 4.41Å; I125-F148 HydrophobicContact CD1-CD2 3.91Å; I125-F148 HydrophobicContact CD1-CG 4.3Å; L138-F148 HydrophobicContact CB-CE2 4.29Å; L138-F148 HydrophobicContact CB-CZ 4.28Å; L138-F148 HydrophobicContact CD2-CD2 4.38Å; L138-F148 HydrophobicContact CD2-CE2 3.78Å; L138-F148 HydrophobicContact CD2-CZ 4.3Å; L138-F148 WeakPolarHBondContact O-CZ 3.13Å; A141-F148 HydrophobicContact CB-CD1 4.48Å; A141-F148 HydrophobicContact CB-CE1 3.79Å; A141-F148 HydrophobicContact CB-CZ 4.21Å; A142-F148 HydrophobicContact CB-CE1 4.22Å; A142-F148 HydrophobicContact CB-CZ 4.24Å; K146-F148 HydrophobicContact CB-CD1 4.25Å; K146-F148 WeakPolarHBondContact O-CD1 3.44Å; F148-V150 HydrophobicContact CD2-CG2 3.69Å; F148-V150 HydrophobicContact CE2-CG2 3.7Å; F148-V173 HydrophobicContact CD2-CG1 3.94Å; F148-V173 HydrophobicContact CE2-CB 4.47Å; F148-V173 HydrophobicContact CE2-CG1 3.5Å; F148-V173 HydrophobicContact CE2-CG2 4.09Å; F148-V173 HydrophobicContact CZ-CG1 4.11Å; F148-V173 HydrophobicContact CZ-CG2 3.85Å; F148-P174 WeakPolarHBondContact O-CD 3.47Å
149S97.2Very high93.9Very high31 Ų3153.8 Ų53.822%0.21727%0.271CS..EExtended strand (participates in β ladder)trans-127.5149.2173.558.70000109.9A123 K124 I125 P174A123-S149 PolarHBondContact O-N 3.26Å; K124-S149 WeakPolarHBondContact CA-O 3.06Å; K124-S149 WeakPolarHBondContact CG-OG 3.45Å; I125-S149 PolarHBondContact N-O 3.39Å; S149-P174 WeakPolarHBondContact CA-O 3.35Å
150V97.8Very high93.7Very high2 Ų251.5 Ų51.51%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-123.4128.5-172.2-172.40000110.6I125 T127 L138 F148 V152 L168 V173 P174 V175 T176I125-V150 HydrophobicContact CB-CG2 4.49Å; I125-V150 CarbonylContact O-C 3.58Å; I125-V150 WeakPolarHBondContact O-CA 3.28Å; T127-V150 HydrophobicContact CG2-CG1 3.81Å; L138-V150 HydrophobicContact CD1-CG1 4.44Å; L138-V150 HydrophobicContact CD1-CG2 4.21Å; F148-V150 HydrophobicContact CD2-CG2 3.69Å; F148-V150 HydrophobicContact CE2-CG2 3.7Å; V150-V152 HydrophobicContact CG1-CG2 3.89Å; V150-L168 HydrophobicContact CB-CD1 4.05Å; V150-L168 HydrophobicContact CG1-CD1 3.81Å; V150-L168 HydrophobicContact CG2-CD1 4.24Å; V150-V173 HydrophobicContact CG2-CG1 3.86Å; V150-P174 PolarHBondContact N-O 2.65Å; V150-V175 HydrophobicContact CB-CG2 4.38Å; V150-V175 CarbonylContact O-C 3.52Å; V150-V175 VanDerWaalsContact O-CA 3.27Å; V150-V175 WeakPolarHBondContact O-CA 3.5Å; V150-T176 PolarHBondContact O-N 3Å
151Y97.9Very high93.6Very high39 Ų3948.5 Ų48.515%0.15325%0.25CS..EExtended strand (participates in β ladder)trans-96.3130.4164.4-64.9-82.9000108.4K124 I125 L126 T127 T176 V178 V186 V190K124-Y151 HydrophobicContact CB-CE2 4.42Å; I125-Y151 PolarHBondContact O-N 3.13Å; L126-Y151 WeakPolarHBondContact CA-O 3.31Å; T127-Y151 PolarHBondContact N-O 2.92Å; Y151-T176 WeakPolarHBondContact CA-O 3.3Å; Y151-T176 HydrophobicContact CD1-CG2 4.15Å; Y151-T176 HydrophobicContact CE1-CG2 4.17Å; Y151-V178 HydrophobicContact CD1-CG2 3.75Å; Y151-V178 HydrophobicContact CG-CG2 4.41Å; Y151-V186 HydrophobicContact CD1-CG1 3.67Å; Y151-V186 HydrophobicContact CD2-CG1 3.88Å; Y151-V186 HydrophobicContact CE1-CG1 4.13Å; Y151-V186 HydrophobicContact CE2-CG1 4.3Å; Y151-V186 HydrophobicContact CG-CG1 3.52Å; Y151-V190 HydrophobicContact CD2-CG2 3.68Å; Y151-V190 HydrophobicContact CE2-CG2 4.15Å; Y151-V190 HydrophobicContact CG-CG2 4.46Å
152V97.4Very high93.5Very high0 Ų055.1 Ų55.10%028%0.275CS..EExtended strand (participates in β ladder)trans-121.9128.2179.7-175.50000108.3T127 V150 G161 M164 L168 V175 T176 V177 V178T127-V152 HydrophobicContact CG2-CB 4.2Å; T127-V152 HydrophobicContact CG2-CG1 4.18Å; T127-V152 HydrophobicContact CG2-CG2 3.68Å; V150-V152 HydrophobicContact CG1-CG2 3.89Å; V152-G161 WeakPolarHBondContact CG1-O 3.02Å; V152-M164 HydrophobicContact CG1-CB 4.03Å; V152-M164 HydrophobicContact CG1-CG 4.18Å; V152-M164 HydrophobicContact CG2-CG 4.29Å; V152-L168 HydrophobicContact CG2-CD1 4.18Å; V152-V175 HydrophobicContact CG2-CG1 3.76Å; V152-T176 PolarHBondContact N-O 3.31Å; V152-V177 CarbonylContact O-C 3.6Å; V152-V177 VanDerWaalsContact O-CA 3.3Å; V152-V177 WeakPolarHBondContact O-CA 3.35Å; V152-V178 PolarHBondContact O-N 3.05Å
153T96.8Very high93.5Very high0 Ų058.4 Ų58.40%029%0.285CS..EExtended strand (participates in β ladder)trans-72.9141.7173.263.60000110.7L126 T127 H128 S129 S155 G161 V178 D180 V183 M215L126-T153 HydrophobicContact CD1-CG2 4.33Å; T127-T153 PolarHBondContact O-N 3.33Å; H128-T153 WeakPolarHBondContact CA-OG1 3.43Å; H128-T153 PolarHBondContact ND1-OG1 2.98Å; S129-T153 PolarHBondContact N-OG1 3.19Å; T153-S155 PolarHBondContact O-N 3.49Å; T153-G161 VanDerWaalsContact O-CA 3.28Å; T153-G161 WeakPolarHBondContact O-CA 3.39Å; T153-V178 CarbonylContact C-O 3.21Å; T153-V178 WeakPolarHBondContact CA-O 3.33Å; T153-D180 WeakPolarHBondContact CB-OD1 3.35Å; T153-V183 HydrophobicContact CG2-CG2 3.52Å; T153-M215 HydrophobicContact CG2-CE 3.37Å
154E93.6Very high93.5Very high24 Ų2455 Ų5511%0.11226%0.257CS..  trans-52.9-38.9177.3-176.5170.1-151.800112.6A159 G161 R162 V177 V178 D180E154-A159 HydrophobicContact CG-CB 4.24Å; E154-A159 CarbonylContact O-C 3.5Å; E154-A159 VanDerWaalsContact O-CA 3.27Å; E154-A159 WeakPolarHBondContact O-CA 3.43Å; E154-G161 WeakPolarHBondContact O-CA 3.38Å; E154-G161 PolarHBondContact O-N 3.42Å; E154-R162 IonicContact OE1-CZ 3.93Å; E154-R162 IonicContact OE1-NE 3.7Å; E154-R162 PolarHBondContact OE1-NE 2.92Å; E154-R162 IonicContact OE1-NH2 2.83Å; E154-R162 PolarHBondContact OE1-NH2 3.31Å; E154-V177 HydrophobicContact CB-CG1 4.37Å; E154-V178 PolarHBondContact N-O 2.91Å; E154-D180 PolarHBondContact N-OD1 3.47Å
155S91.9Very high93.6Very high0 Ų050.6 Ų50.60%024%0.237CC..  trans62.566.3178.9-167.70000112.3S129 T153 D158 A159 D180 K209S129-S155 WeakPolarHBondContact CB-OG 3.22Å; S129-S155 VanDerWaalsContact OG-CB 3.25Å; S129-S155 WeakPolarHBondContact OG-CB 3.49Å; S129-S155 PolarHBondContact OG-OG 3.21Å; T153-S155 PolarHBondContact O-N 3.49Å; S155-D158 VanDerWaalsContact O-OD1 3.13Å; S155-A159 PolarHBondContact O-N 3.46Å; S155-A159 VanDerWaalsContact O-N 3.13Å; S155-D180 WeakPolarHBondContact CA-OD1 3.19Å; S155-D180 WeakPolarHBondContact CA-OD2 3.27Å; S155-D180 PolarHBondContact N-OD1 3.36Å; S155-D180 PolarHBondContact N-OD2 2.97Å; S155-K209 WeakPolarHBondContact OG-CD 3.41Å; S155-K209 WeakPolarHBondContact OG-CE 3.32Å; S155-K209 PolarHBondContact OG-NZ 2.92Å
156Q89.6Confident93.8Very high95 Ų9546.8 Ų46.844%0.44422%0.222SC..THydrogen-bonded Turntrans-58143164-70.7-66-9.800109.8D180Q156-D180 PolarHBondContact N-OD2 3.05Å
157P82.7Confident93.9Very high59 Ų5945 Ų4538%0.38322%0.217SC..THydrogen-bonded Turncis-94.7-12.717.636.3-39.3000116.9
158D87.6Confident93.9Very high94 Ų9436.6 Ų36.650%0.50319%0.185SC..THydrogen-bonded Turntrans-98.8-0.3-172.467.75.7000113.8S155 A160 K209S155-D158 VanDerWaalsContact O-OD1 3.13Å; D158-A160 PolarHBondContact O-N 3.25Å; D158-A160 VanDerWaalsContact O-N 3.13Å; D158-A160 VanDerWaalsContact OD1-CB 3.24Å; D158-A160 WeakPolarHBondContact OD1-CB 3.4Å; D158-A160 PolarHBondContact OD1-N 2.91Å; D158-K209 IonicContact OD1-NZ 3.69Å; D158-K209 PolarHBondContact OD1-NZ 3.49Å; D158-K209 IonicContact OD2-NZ 3.54Å; D158-K209 PolarHBondContact OD2-NZ 3.4Å
159A90.6Very high93.8Very high23 Ų2341.9 Ų41.919%0.1921%0.209CC..THydrogen-bonded Turntrans52.829.1-176.800000114.4E154 S155 G161 R162E154-A159 HydrophobicContact CG-CB 4.24Å; E154-A159 CarbonylContact O-C 3.5Å; E154-A159 VanDerWaalsContact O-CA 3.27Å; E154-A159 WeakPolarHBondContact O-CA 3.43Å; S155-A159 PolarHBondContact O-N 3.46Å; S155-A159 VanDerWaalsContact O-N 3.13Å; A159-G161 PolarHBondContact O-N 3.26Å; A159-R162 WeakPolarHBondContact O-CB 3.41Å; A159-R162 PolarHBondContact O-N 2.55Å
160A91.6Very high93.7Very high20 Ų2048.6 Ų48.617%0.16523%0.234CC..Hα-helixtrans-60-21.3-175.900000113.6Y130 D158 R162 H163 M164Y130-A160 WeakPolarHBondContact CB-O 3.49Å; D158-A160 PolarHBondContact O-N 3.25Å; D158-A160 VanDerWaalsContact O-N 3.13Å; D158-A160 VanDerWaalsContact OD1-CB 3.24Å; D158-A160 WeakPolarHBondContact OD1-CB 3.4Å; D158-A160 PolarHBondContact OD1-N 2.91Å; A160-R162 PolarHBondContact O-N 3.4Å; A160-H163 WeakPolarHBondContact O-CB 3.5Å; A160-H163 PolarHBondContact O-N 3.43Å; A160-H163 VanDerWaalsContact O-N 3.1Å; A160-M164 PolarHBondContact O-N 3.34Å
161G92.9Very high93.5Very high0 Ų051.3 Ų51.30%025%0.248CC..Hα-helixtrans-58.3-30.9172.900000113.9V152 T153 E154 A159 H163 M164 A165V152-G161 WeakPolarHBondContact CG1-O 3.02Å; T153-G161 VanDerWaalsContact O-CA 3.28Å; T153-G161 WeakPolarHBondContact O-CA 3.39Å; E154-G161 WeakPolarHBondContact O-CA 3.38Å; E154-G161 PolarHBondContact O-N 3.42Å; A159-G161 PolarHBondContact O-N 3.26Å; G161-H163 VanDerWaalsContact C-N 3.35Å; G161-M164 PolarHBondContact O-N 3Å; G161-A165 PolarHBondContact O-N 2.69Å
162R94.7Very high93.3Very high139 Ų13956.6 Ų56.653%0.52528%0.279SS..Hα-helixtrans-64.6-41.2175.4-62.7-176.4-176.1-171.91.3111.4E154 A159 A160 M164 A165 E166E154-R162 IonicContact OE1-CZ 3.93Å; E154-R162 IonicContact OE1-NE 3.7Å; E154-R162 PolarHBondContact OE1-NE 2.92Å; E154-R162 IonicContact OE1-NH2 2.83Å; E154-R162 PolarHBondContact OE1-NH2 3.31Å; A159-R162 WeakPolarHBondContact O-CB 3.41Å; A159-R162 PolarHBondContact O-N 2.55Å; A160-R162 PolarHBondContact O-N 3.4Å; R162-M164 PolarHBondContact O-N 3Å; R162-A165 WeakPolarHBondContact O-CB 3.41Å; R162-A165 PolarHBondContact O-N 3.42Å; R162-E166 WeakPolarHBondContact O-CG 3.28Å; R162-E166 PolarHBondContact O-N 3.25Å
163H94.3Very high93.2Very high99 Ų9957.2 Ų57.246%0.45828%0.282SS..Hα-helixtrans-63.9-41.5176-176.6-166.1000111.6A160 G161 A165 E166 A167A160-H163 WeakPolarHBondContact O-CB 3.5Å; A160-H163 PolarHBondContact O-N 3.43Å; A160-H163 VanDerWaalsContact O-N 3.1Å; G161-H163 VanDerWaalsContact C-N 3.35Å; H163-A165 VanDerWaalsContact C-N 3.3Å; H163-A165 PolarHBondContact O-N 2.9Å; H163-E166 PolarHBondContact O-N 2.7Å; H163-A167 PolarHBondContact O-N 3.13Å
164M95.4Very high93.2Very high0 Ų061.1 Ų61.10%031%0.308CS..Hα-helixtrans-60.3-42173.5-174.566.3-178.500111.8Y130 V134 L135 L138 V152 A160 G161 R162 A167 L168Y130-M164 HydrophobicContact CD2-CB 3.88Å; Y130-M164 HydrophobicContact CD2-SD 3.91Å; Y130-M164 HydrophobicContact CE2-SD 4.33Å; V134-M164 HydrophobicContact CB-CE 4.47Å; V134-M164 HydrophobicContact CG1-CE 4.09Å; L135-M164 HydrophobicContact CB-CE 3.93Å; L135-M164 HydrophobicContact CB-SD 4.06Å; L135-M164 HydrophobicContact CD1-CE 4.13Å; L135-M164 HydrophobicContact CD1-SD 4.23Å; L138-M164 HydrophobicContact CD1-CE 3.89Å; V152-M164 HydrophobicContact CG1-CB 4.03Å; V152-M164 HydrophobicContact CG1-CG 4.18Å; V152-M164 HydrophobicContact CG2-CG 4.29Å; A160-M164 PolarHBondContact O-N 3.34Å; G161-M164 PolarHBondContact O-N 3Å; R162-M164 PolarHBondContact O-N 3Å; M164-A167 PolarHBondContact O-N 2.68Å; M164-L168 HydrophobicContact CE-CD1 3.92Å; M164-L168 HydrophobicContact CE-CD2 4.28Å; M164-L168 HydrophobicContact CE-CG 4.1Å; M164-L168 HydrophobicContact CG-CD1 4.19Å; M164-L168 WeakPolarHBondContact O-CB 3.3Å; M164-L168 WeakPolarHBondContact O-CG 3.26Å; M164-L168 PolarHBondContact O-N 3.26Å
165A96.1Very high93.4Very high3 Ų361.1 Ų61.13%0.02531%0.31CS..Hα-helixtrans-65.4-39.1178.200000112.6G161 R162 H163 L168 K169 V175 V177G161-A165 PolarHBondContact O-N 2.69Å; R162-A165 WeakPolarHBondContact O-CB 3.41Å; R162-A165 PolarHBondContact O-N 3.42Å; H163-A165 VanDerWaalsContact C-N 3.3Å; H163-A165 PolarHBondContact O-N 2.9Å; A165-L168 PolarHBondContact O-N 3.19Å; A165-K169 WeakPolarHBondContact O-CB 2.88Å; A165-K169 VanDerWaalsContact O-CG 3.22Å; A165-K169 WeakPolarHBondContact O-CG 3.09Å; A165-K169 PolarHBondContact O-N 3.1Å; A165-V175 HydrophobicContact CB-CG1 3.59Å; A165-V177 HydrophobicContact CB-CG2 3.47Å; A165-V177 VanDerWaalsContact CB-CG2 3.47Å
166E96Very high93.6Very high109 Ų10964.6 Ų64.651%0.50933%0.331SS..Hα-helixtrans-63.8-43.3173.2-72.2176.4-172.700112.4R162 H163 L168 K169 K170R162-E166 WeakPolarHBondContact O-CG 3.28Å; R162-E166 PolarHBondContact O-N 3.25Å; H163-E166 PolarHBondContact O-N 2.7Å; E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 2.99Å; E166-K169 PolarHBondContact O-N 3.43Å; E166-K170 WeakPolarHBondContact O-CG 3.2Å; E166-K170 PolarHBondContact O-N 3.43Å; E166-K170 VanDerWaalsContact O-N 3.1Å
167A95.4Very high94Very high16 Ų1663.1 Ų63.113%0.13233%0.328CS..Hα-helixtrans-61.2-43.1177.200000111.8L135 H163 M164 K170L135-A167 HydrophobicContact CD1-CB 3.91Å; L135-A167 HydrophobicContact CD2-CB 3.9Å; H163-A167 PolarHBondContact O-N 3.13Å; M164-A167 PolarHBondContact O-N 2.68Å; A167-K170 PolarHBondContact O-N 3.13Å
168L95.4Very high94.6Very high0 Ų061 Ų610%031%0.314CS..Hα-helixtrans-71.2-33.8177.3-71.5174.4000113L135 L138 V150 V152 M164 A165 E166 K170 L171 V173 V175L135-L168 HydrophobicContact CD1-CD2 3.8Å; L135-L168 HydrophobicContact CD1-CG 4.17Å; L138-L168 HydrophobicContact CB-CD2 3.93Å; L138-L168 HydrophobicContact CD1-CD1 4.08Å; L138-L168 HydrophobicContact CD1-CD2 3.75Å; V150-L168 HydrophobicContact CB-CD1 4.05Å; V150-L168 HydrophobicContact CG1-CD1 3.81Å; V150-L168 HydrophobicContact CG2-CD1 4.24Å; V152-L168 HydrophobicContact CG2-CD1 4.18Å; M164-L168 HydrophobicContact CE-CD1 3.92Å; M164-L168 HydrophobicContact CE-CD2 4.28Å; M164-L168 HydrophobicContact CE-CG 4.1Å; M164-L168 HydrophobicContact CG-CD1 4.19Å; M164-L168 WeakPolarHBondContact O-CB 3.3Å; M164-L168 WeakPolarHBondContact O-CG 3.26Å; M164-L168 PolarHBondContact O-N 3.26Å; A165-L168 PolarHBondContact O-N 3.19Å; E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 2.99Å; L168-K170 VanDerWaalsContact C-N 3.31Å; L168-K170 PolarHBondContact O-N 3.04Å; L168-L171 HydrophobicContact CD2-CD1 4.43Å; L168-L171 WeakPolarHBondContact O-CA 3.46Å; L168-L171 WeakPolarHBondContact O-CB 3.16Å; L168-L171 PolarHBondContact O-N 2.93Å; L168-V173 PolarHBondContact O-N 3.36Å; L168-V175 HydrophobicContact CB-CG2 3.33Å; L168-V175 HydrophobicContact CD1-CG2 3.84Å; L168-V175 HydrophobicContact CG-CG2 4.25Å
169K95.6Very high95Very high127 Ų12761.9 Ų61.955%0.55232%0.318SS*.Hα-helixtrans-61.4-39.3172.7-79.9172.7-178.3-179.70111.9A165 E166 L171 N172A165-K169 WeakPolarHBondContact O-CB 2.88Å; A165-K169 VanDerWaalsContact O-CG 3.22Å; A165-K169 WeakPolarHBondContact O-CG 3.09Å; A165-K169 PolarHBondContact O-N 3.1Å; E166-K169 PolarHBondContact O-N 3.43Å; K169-L171 PolarHBondContact O-N 3.4Å; K169-N172 PolarHBondContact O-N 2.86Å
170K95.3Very high95.2Very high171 Ų17162.2 Ų62.274%0.74332%0.317SS*.Hα-helixtrans-61.8-23.7174.3-68.8172.5-174.8175.90112.8E166 A167 L168 N172E166-K170 WeakPolarHBondContact O-CG 3.2Å; E166-K170 PolarHBondContact O-N 3.43Å; E166-K170 VanDerWaalsContact O-N 3.1Å; A167-K170 PolarHBondContact O-N 3.13Å; L168-K170 VanDerWaalsContact C-N 3.31Å; L168-K170 PolarHBondContact O-N 3.04Å; K170-N172 VanDerWaalsContact C-N 3.32Å
171L93.4Very high95.4Very high59 Ų5966.3 Ų66.331%0.30935%0.35SS..THydrogen-bonded Turntrans-909.3176.3-62.2173.3000113.2L135 E139 L168 K169 V173L135-L171 HydrophobicContact CD1-CD1 4.11Å; E139-L171 HydrophobicContact CB-CD1 3.94Å; E139-L171 HydrophobicContact CG-CD1 4.23Å; E139-L171 HydrophobicContact CG-CD2 4.22Å; L168-L171 HydrophobicContact CD2-CD1 4.43Å; L168-L171 WeakPolarHBondContact O-CA 3.46Å; L168-L171 WeakPolarHBondContact O-CB 3.16Å; L168-L171 PolarHBondContact O-N 2.93Å; K169-L171 PolarHBondContact O-N 3.4Å; L171-V173 HydrophobicContact CB-CG2 4.2Å; L171-V173 PolarHBondContact O-N 3.28Å
172N93.9Very high95.5Very high151 Ų15167.7 Ų67.781%0.80736%0.362SS*.THydrogen-bonded Turntrans57.527.1-175.8-62-16.5000114.1K169 K170K169-N172 PolarHBondContact O-N 2.86Å; K170-N172 VanDerWaalsContact C-N 3.32Å
173V95Very high95.5Very high12 Ų1261.3 Ų61.37%0.07334%0.338CS..  trans-89.7132.4174.2178.60000109.3A142 F148 V150 L168 L171 V175A142-V173 HydrophobicContact CB-CG2 4.22Å; F148-V173 HydrophobicContact CD2-CG1 3.94Å; F148-V173 HydrophobicContact CE2-CB 4.47Å; F148-V173 HydrophobicContact CE2-CG1 3.5Å; F148-V173 HydrophobicContact CE2-CG2 4.09Å; F148-V173 HydrophobicContact CZ-CG1 4.11Å; F148-V173 HydrophobicContact CZ-CG2 3.85Å; V150-V173 HydrophobicContact CG2-CG1 3.86Å; L168-V173 PolarHBondContact O-N 3.36Å; L171-V173 HydrophobicContact CB-CG2 4.2Å; L171-V173 PolarHBondContact O-N 3.28Å; V173-V175 HydrophobicContact CG1-CG2 4.46Å; V173-V175 WeakPolarHBondContact O-CG2 3.48Å; V173-V175 PolarHBondContact O-N 3.01Å
174P96.6Very high95.5Very high83 Ų8357.9 Ų57.954%0.53933%0.33SS..  trans-63.1119.8172.5-20.931.7000111.4F148 S149 V150F148-P174 WeakPolarHBondContact O-CD 3.47Å; S149-P174 WeakPolarHBondContact CA-O 3.35Å; V150-P174 PolarHBondContact N-O 2.65Å
175V97.4Very high95.5Very high24 Ų2465.2 Ų65.215%0.14536%0.359CS..EExtended strand (participates in β ladder)trans-128.7136.4-177-179.20000111.6V150 V152 A165 L168 V173V150-V175 HydrophobicContact CB-CG2 4.38Å; V150-V175 CarbonylContact O-C 3.52Å; V150-V175 VanDerWaalsContact O-CA 3.27Å; V150-V175 WeakPolarHBondContact O-CA 3.5Å; V152-V175 HydrophobicContact CG2-CG1 3.76Å; A165-V175 HydrophobicContact CB-CG1 3.59Å; L168-V175 HydrophobicContact CB-CG2 3.33Å; L168-V175 HydrophobicContact CD1-CG2 3.84Å; L168-V175 HydrophobicContact CG-CG2 4.25Å; V173-V175 HydrophobicContact CG1-CG2 4.46Å; V173-V175 WeakPolarHBondContact O-CG2 3.48Å; V173-V175 PolarHBondContact O-N 3.01Å
176T97.1Very high95.5Very high73 Ų7365.5 Ų65.545%0.44836%0.36SS..EExtended strand (participates in β ladder)trans-122126.2170.4-57.30000109.9V150 Y151 V152 V178V150-T176 PolarHBondContact O-N 3Å; Y151-T176 WeakPolarHBondContact CA-O 3.3Å; Y151-T176 HydrophobicContact CD1-CG2 4.15Å; Y151-T176 HydrophobicContact CE1-CG2 4.17Å; V152-T176 PolarHBondContact N-O 3.31Å; T176-V178 HydrophobicContact CG2-CG2 4.38Å
177V96.9Very high95.5Very high63 Ų6360.3 Ų60.338%0.38234%0.336SS..EExtended strand (participates in β ladder)trans-83134.4171.6-177.90000108.8V152 E154 A165V152-V177 CarbonylContact O-C 3.6Å; V152-V177 VanDerWaalsContact O-CA 3.3Å; V152-V177 WeakPolarHBondContact O-CA 3.35Å; E154-V177 HydrophobicContact CB-CG1 4.37Å; A165-V177 HydrophobicContact CB-CG2 3.47Å; A165-V177 VanDerWaalsContact CB-CG2 3.47Å
178V96.3Very high95.4Very high14 Ų1466.4 Ų66.49%0.08536%0.361CS..EExtended strand (participates in β ladder)trans-123.5142.2-174.8-177.30000108.7Y151 V152 T153 E154 T176 A182 V186Y151-V178 HydrophobicContact CD1-CG2 3.75Å; Y151-V178 HydrophobicContact CG-CG2 4.41Å; V152-V178 PolarHBondContact O-N 3.05Å; T153-V178 CarbonylContact C-O 3.21Å; T153-V178 WeakPolarHBondContact CA-O 3.33Å; E154-V178 PolarHBondContact N-O 2.91Å; T176-V178 HydrophobicContact CG2-CG2 4.38Å; V178-A182 HydrophobicContact CG1-CB 3.68Å; V178-V186 HydrophobicContact CB-CG2 4.49Å; V178-V186 HydrophobicContact CG1-CB 4.47Å; V178-V186 HydrophobicContact CG1-CG2 3.63Å; V178-V186 HydrophobicContact CG2-CG2 3.98Å
179L95.8Very high95.4Very high113 Ų11370.8 Ų70.859%0.59238%0.381SS*.  trans-63.6146172.9-62.6172.8000110.6A181 A182L179-A181 PolarHBondContact O-N 3.13Å; L179-A182 HydrophobicContact CB-CB 4.18Å; L179-A182 PolarHBondContact O-N 2.85Å
180D94.4Very high95.5Very high31 Ų3164.8 Ų64.817%0.16635%0.354CS..G310 helixtrans-59-34.4-178.6-63.2-29.4000112.1T153 E154 S155 Q156 A182 V183T153-D180 WeakPolarHBondContact CB-OD1 3.35Å; E154-D180 PolarHBondContact N-OD1 3.47Å; S155-D180 WeakPolarHBondContact CA-OD1 3.19Å; S155-D180 WeakPolarHBondContact CA-OD2 3.27Å; S155-D180 PolarHBondContact N-OD1 3.36Å; S155-D180 PolarHBondContact N-OD2 2.97Å; Q156-D180 PolarHBondContact N-OD2 3.05Å; D180-A182 VanDerWaalsContact C-N 3.31Å; D180-A182 PolarHBondContact O-N 3.45Å; D180-V183 VanDerWaalsContact O-CG2 3.29Å; D180-V183 WeakPolarHBondContact O-CG2 3.39Å
181A94.8Very high95.6Very high105 Ų10560.4 Ų60.487%0.86834%0.339SS*.G310 helixtrans-72.5-19.1175.400000114.2L179 V183L179-A181 PolarHBondContact O-N 3.13Å; A181-V183 VanDerWaalsContact C-N 3.34Å
182A94.8Very high95.7Very high30 Ų3058.1 Ų58.125%0.24833%0.327CS..G310 helixtrans-91.46.6-176.700000113.4V178 L179 D180 G184 Y185 V186V178-A182 HydrophobicContact CG1-CB 3.68Å; L179-A182 HydrophobicContact CB-CB 4.18Å; L179-A182 PolarHBondContact O-N 2.85Å; D180-A182 VanDerWaalsContact C-N 3.31Å; D180-A182 PolarHBondContact O-N 3.45Å; A182-G184 VanDerWaalsContact C-N 3.34Å; A182-G184 PolarHBondContact O-N 3.21Å; A182-Y185 PolarHBondContact O-N 3.29Å; A182-V186 PolarHBondContact O-N 2.93Å; A182-V186 VanDerWaalsContact O-N 3.14Å
183V95.3Very high95.9Very high4 Ų451 Ų512%0.02429%0.289CS..Hα-helixtrans-56.1-45.6178.91670000112.1L126 T153 D180 A181 Y185 V186 L187 M215L126-V183 HydrophobicContact CD2-CG1 4.07Å; T153-V183 HydrophobicContact CG2-CG2 3.52Å; D180-V183 VanDerWaalsContact O-CG2 3.29Å; D180-V183 WeakPolarHBondContact O-CG2 3.39Å; A181-V183 VanDerWaalsContact C-N 3.34Å; V183-Y185 VanDerWaalsContact C-N 3.33Å; V183-Y185 PolarHBondContact O-N 2.77Å; V183-V186 PolarHBondContact O-N 3.2Å; V183-L187 HydrophobicContact CG1-CD1 3.96Å; V183-L187 HydrophobicContact CG1-CG 4.4Å; V183-L187 WeakPolarHBondContact O-CG 3.26Å; V183-L187 PolarHBondContact O-N 3.12Å; V183-M215 HydrophobicContact CG1-CB 4.25Å; V183-M215 HydrophobicContact CG1-CE 4.48Å; V183-M215 HydrophobicContact CG1-CG 4.01Å; V183-M215 HydrophobicContact CG2-CE 4.22Å
184G94.7Very high96Very high27 Ų2750.4 Ų50.428%0.27829%0.286SS..Hα-helixtrans-59.1-41.9178.300000113A182 V186 L187A182-G184 VanDerWaalsContact C-N 3.34Å; A182-G184 PolarHBondContact O-N 3.21Å; G184-V186 PolarHBondContact O-N 3.5Å; G184-L187 PolarHBondContact O-N 2.96Å
185Y95.8Very high96.1Very high154 Ų15446.5 Ų46.560%0.60426%0.26SS*.Hα-helixtrans-65.6-37.5178.1176.1-96.9000112.6A182 V183 K189A182-Y185 PolarHBondContact O-N 3.29Å; V183-Y185 VanDerWaalsContact C-N 3.33Å; V183-Y185 PolarHBondContact O-N 2.77Å; Y185-K189 PolarHBondContact OH-NZ 3.14Å
186V96.1Very high96Very high9 Ų945.3 Ų45.36%0.05525%0.253CS..Hα-helixtrans-78.8-27.3-177.5173.80000112.2Y151 V178 A182 V183 G184 E188 K189 V190Y151-V186 HydrophobicContact CD1-CG1 3.67Å; Y151-V186 HydrophobicContact CD2-CG1 3.88Å; Y151-V186 HydrophobicContact CE1-CG1 4.13Å; Y151-V186 HydrophobicContact CE2-CG1 4.3Å; Y151-V186 HydrophobicContact CG-CG1 3.52Å; V178-V186 HydrophobicContact CB-CG2 4.49Å; V178-V186 HydrophobicContact CG1-CB 4.47Å; V178-V186 HydrophobicContact CG1-CG2 3.63Å; V178-V186 HydrophobicContact CG2-CG2 3.98Å; A182-V186 PolarHBondContact O-N 2.93Å; A182-V186 VanDerWaalsContact O-N 3.14Å; V183-V186 PolarHBondContact O-N 3.2Å; G184-V186 PolarHBondContact O-N 3.5Å; V186-E188 PolarHBondContact O-N 3.45Å; V186-K189 PolarHBondContact O-N 3.07Å; V186-V190 HydrophobicContact CG1-CG2 3.76Å; V186-V190 WeakPolarHBondContact O-CG2 3.33Å; V186-V190 PolarHBondContact O-N 3.28Å
187L95.5Very high95.9Very high0 Ų042 Ų420%023%0.233CC..Hα-helixtrans-58.8-29.3-179.2-85.5165.9000114.1L126 V183 G184 K189 V190 V193 C218 K224L126-L187 HydrophobicContact CD2-CD2 3.91Å; L126-L187 HydrophobicContact CD2-CG 4.1Å; V183-L187 HydrophobicContact CG1-CD1 3.96Å; V183-L187 HydrophobicContact CG1-CG 4.4Å; V183-L187 WeakPolarHBondContact O-CG 3.26Å; V183-L187 PolarHBondContact O-N 3.12Å; G184-L187 PolarHBondContact O-N 2.96Å; L187-K189 PolarHBondContact O-N 2.96Å; L187-V190 PolarHBondContact O-N 3.09Å; L187-V193 HydrophobicContact CD2-CG2 3.67Å; L187-C218 HydrophobicContact CD1-CB 3.24Å; L187-K224 HydrophobicContact CD2-CG 4.39Å; L187-K224 WeakPolarHBondContact O-CE 3.45Å
188E94.4Very high95.7Very high144 Ų14441.8 Ų41.867%0.67323%0.228SC*.THydrogen-bonded Turntrans-62-33.9175.4-166.9172.4-167.900112V186V186-E188 PolarHBondContact O-N 3.45Å
189K95Very high95.7Very high93 Ų9341.1 Ų41.140%0.40422%0.224SC..THydrogen-bonded Turntrans-87-15.9180-61176.5-173.61710113.3K124 Y185 V186 L187K124-K189 WeakPolarHBondContact CD-O 3.38Å; Y185-K189 PolarHBondContact OH-NZ 3.14Å; V186-K189 PolarHBondContact O-N 3.07Å; L187-K189 PolarHBondContact O-N 2.96Å
190V96.8Very high95.7Very high0 Ų035.7 Ų35.70%020%0.196CC..  trans-91.2145.4-172.9167.10000110.4K124 L126 Y151 V186 L187 L192 V193 K224K124-V190 WeakPolarHBondContact O-CG1 3.5Å; L126-V190 HydrophobicContact CB-CB 4.49Å; L126-V190 HydrophobicContact CB-CG1 3.77Å; L126-V190 HydrophobicContact CB-CG2 4.01Å; Y151-V190 HydrophobicContact CD2-CG2 3.68Å; Y151-V190 HydrophobicContact CE2-CG2 4.15Å; Y151-V190 HydrophobicContact CG-CG2 4.46Å; V186-V190 HydrophobicContact CG1-CG2 3.76Å; V186-V190 WeakPolarHBondContact O-CG2 3.33Å; V186-V190 PolarHBondContact O-N 3.28Å; L187-V190 PolarHBondContact O-N 3.09Å; V190-L192 WeakPolarHBondContact CG1-O 3.2Å; V190-V193 HydrophobicContact CG1-CG2 4.4Å; V190-K224 WeakPolarHBondContact O-CD 3.27Å; V190-K224 VanDerWaalsContact O-CE 3.25Å; V190-K224 WeakPolarHBondContact O-CE 3.48Å; V190-K224 PolarHBondContact O-NZ 3.08Å
191D96.9Very high95.7Very high80 Ų8034.2 Ų34.243%0.42819%0.188SC..SBendtrans-92.8-36.8178.1-60.4-53.5000111.9A123 K124 P225A123-D191 WeakPolarHBondContact CA-OD2 3.28Å; K124-D191 PolarHBondContact N-OD2 3.14Å; K124-D191 PolarHBondContact O-N 2.91Å; D191-P225 WeakPolarHBondContact O-CD 3.33Å
192L96.6Very high95.7Very high11 Ų1131.6 Ų31.66%0.05816%0.157CC..EExtended strand (participates in β ladder)trans-152.2153.2-177.865.395.9000111.9A123 K124 I125 L126 V190 I194 P225 Y227A123-L192 HydrophobicContact CB-CD2 4.38Å; K124-L192 PolarHBondContact O-N 2.86Å; I125-L192 WeakPolarHBondContact CA-O 3.12Å; I125-L192 HydrophobicContact CB-CD1 4.38Å; I125-L192 HydrophobicContact CD1-CD1 4.48Å; I125-L192 HydrophobicContact CG1-CD1 3.97Å; I125-L192 HydrophobicContact CG1-CG 4.25Å; I125-L192 HydrophobicContact CG2-CD1 3.92Å; L126-L192 PolarHBondContact N-O 3.16Å; V190-L192 WeakPolarHBondContact CG1-O 3.2Å; L192-I194 HydrophobicContact CD1-CD1 3.55Å; L192-I194 HydrophobicContact CD1-CG1 3.44Å; L192-I194 VanDerWaalsContact CD1-CG1 3.44Å; L192-P225 HydrophobicContact CB-CG 3.8Å; L192-Y227 HydrophobicContact CB-CE2 4.4Å; L192-Y227 HydrophobicContact CD1-CD2 4.28Å
193V97.8Very high95.6Very high0 Ų031.2 Ų31.20%015%0.153CC..EExtended strand (participates in β ladder)trans-111.3131.5176.4-175.70000109.5L126 L187 V190 V195 M215 S219 P225 F226 Y227L126-V193 HydrophobicContact CB-CG1 4.42Å; L126-V193 HydrophobicContact CB-CG2 4.1Å; L126-V193 HydrophobicContact CD2-CG2 4.21Å; L126-V193 WeakPolarHBondContact O-CA 3.4Å; L187-V193 HydrophobicContact CD2-CG2 3.67Å; V190-V193 HydrophobicContact CG1-CG2 4.4Å; V193-V195 HydrophobicContact CG1-CG1 4.07Å; V193-M215 HydrophobicContact CG1-CG 3.99Å; V193-M215 HydrophobicContact CG1-SD 3.42Å; V193-M215 WeakPolarHBondContact CG1-SD 3.29Å; V193-S219 WeakPolarHBondContact CG2-OG 3.45Å; V193-P225 PolarHBondContact N-O 3.42Å; V193-F226 HydrophobicContact CB-CD2 3.92Å; V193-F226 HydrophobicContact CB-CE2 4.47Å; V193-F226 HydrophobicContact CG1-CD2 3.71Å; V193-F226 HydrophobicContact CG1-CE2 3.76Å; V193-Y227 PolarHBondContact O-N 2.95Å
194I97.8Very high95.5Very high1 Ų131 Ų311%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-122.3122.8174.3-63.7174.2000108.2I119 I125 L126 T127 V134 L192 Y227 V229I119-I194 HydrophobicContact CD1-CD1 4Å; I119-I194 HydrophobicContact CG1-CD1 4.09Å; I125-I194 HydrophobicContact CD1-CD1 4.4Å; I125-I194 HydrophobicContact CG2-CB 4.23Å; I125-I194 HydrophobicContact CG2-CD1 4Å; I125-I194 HydrophobicContact CG2-CG1 4.12Å; L126-I194 PolarHBondContact O-N 3.17Å; T127-I194 VanDerWaalsContact CA-O 3.27Å; T127-I194 WeakPolarHBondContact CA-O 3.15Å; T127-I194 WeakPolarHBondContact CB-O 3.25Å; T127-I194 PolarHBondContact OG1-O 3.13Å; V134-I194 HydrophobicContact CB-CG2 4.48Å; V134-I194 HydrophobicContact CG1-CG2 3.88Å; V134-I194 HydrophobicContact CG2-CG2 3.89Å; L192-I194 HydrophobicContact CD1-CD1 3.55Å; L192-I194 HydrophobicContact CD1-CG1 3.44Å; L192-I194 VanDerWaalsContact CD1-CG1 3.44Å; I194-Y227 WeakPolarHBondContact CA-O 3.49Å; I194-Y227 HydrophobicContact CG1-CD2 4.4Å; I194-V229 HydrophobicContact CG2-CG2 3.64Å
195V97.6Very high95.6Very high0 Ų029.8 Ų29.80%014%0.139CC..EExtended strand (participates in β ladder)trans-123.3154174.6-59.50000111.1H128 V193 I206 T212 M215 F226 Y227 V228 V229H128-V195 HydrophobicContact CB-CG1 3.98Å; V193-V195 HydrophobicContact CG1-CG1 4.07Å; V195-I206 HydrophobicContact CG2-CD1 4.07Å; V195-T212 HydrophobicContact CB-CG2 4.4Å; V195-T212 HydrophobicContact CG1-CG2 4.41Å; V195-T212 HydrophobicContact CG2-CG2 4.14Å; V195-M215 HydrophobicContact CG1-SD 3.9Å; V195-F226 HydrophobicContact CB-CZ 4.23Å; V195-F226 HydrophobicContact CG1-CE2 3.96Å; V195-F226 HydrophobicContact CG1-CZ 3.77Å; V195-F226 HydrophobicContact CG2-CE1 3.53Å; V195-F226 HydrophobicContact CG2-CE2 4.31Å; V195-F226 HydrophobicContact CG2-CZ 3.4Å; V195-F226 VanDerWaalsContact CG2-CZ 3.4Å; V195-Y227 PolarHBondContact N-O 3.3Å; V195-V228 HydrophobicContact CG2-CG2 3.98Å; V195-V229 PolarHBondContact O-N 3.17Å
196G96.1Very high95.7Very high0 Ų022.4 Ų22.40%011%0.11CC..EExtended strand (participates in β ladder)trans-78.3173.5164.200000111.5N208 V229G196-N208 PolarHBondContact O-ND2 2.87Å; G196-N208 PolarHBondContact O-OD1 3.2Å; G196-V229 WeakPolarHBondContact CA-O 3.27Å
197A95.4Very high95.7Very high3 Ų322 Ų223%0.02511%0.107CC..  trans-135149.1162.200000110.8V200 I206 V228 V229 A230 K234A197-V200 HydrophobicContact CB-CG2 4.48Å; A197-I206 HydrophobicContact CB-CB 4.06Å; A197-I206 HydrophobicContact CB-CD1 4.41Å; A197-I206 HydrophobicContact CB-CG2 4.23Å; A197-V228 HydrophobicContact CB-CG1 3.96Å; A197-V229 PolarHBondContact N-O 2.78Å; A197-A230 HydrophobicContact CB-CB 4Å; A197-K234 VanDerWaalsContact O-CD 3.29Å; A197-K234 WeakPolarHBondContact O-CD 3.41Å; A197-K234 WeakPolarHBondContact O-CE 3.46Å; A197-K234 PolarHBondContact O-NZ 3.43Å
198E92.7Very high95.7Very high58 Ų5822.6 Ų22.627%0.27111%0.111SC..SBendtrans-89.7-31.9168.8-66.5-163.6-164.600111.8S62 I207S62-E198 PolarHBondContact OG-OE2 2.97Å; E198-I207 PolarHBondContact N-O 3.45Å
199G94.6Very high95.6Very high0 Ų016.8 Ų16.80%08%0.083CC..EExtended strand (participates in β ladder)trans-145.3148.2174.400000111.6I206 I207 K234G199-I206 CarbonylContact O-C 3.58Å; G199-I206 WeakPolarHBondContact O-CA 3.42Å; G199-I207 PolarHBondContact N-O 2.92Å; G199-I207 PolarHBondContact O-N 3.32Å; G199-K234 CarbonylContact C-O 3.55Å; G199-K234 VanDerWaalsContact CA-O 3.32Å; G199-K234 WeakPolarHBondContact CA-O 3.22Å
200V96.4Very high95.6Very high0 Ų015 Ų150%08%0.077CC..EExtended strand (participates in β ladder)trans-115.7124.1169-1730000107.4A197 I206 A230 K234 F235 V236 L281 V293A197-V200 HydrophobicContact CB-CG2 4.48Å; V200-I206 HydrophobicContact CG2-CG2 4.4Å; V200-A230 HydrophobicContact CG2-CB 3.78Å; V200-K234 PolarHBondContact N-O 2.86Å; V200-F235 HydrophobicContact CB-CD1 3.75Å; V200-F235 HydrophobicContact CB-CE1 3.9Å; V200-F235 HydrophobicContact CB-CG 4.36Å; V200-F235 HydrophobicContact CG1-CD1 4.39Å; V200-F235 HydrophobicContact CG1-CE1 4.2Å; V200-F235 HydrophobicContact CG1-CZ 4.47Å; V200-F235 HydrophobicContact CG2-CD1 3.96Å; V200-F235 HydrophobicContact CG2-CE1 3.83Å; V200-F235 WeakPolarHBondContact O-CA 3.24Å; V200-V236 PolarHBondContact O-N 3Å; V200-L281 HydrophobicContact CG1-CD2 3.72Å; V200-L281 HydrophobicContact CG2-CD2 4.37Å; V200-V293 HydrophobicContact CG1-CG1 3.65Å; V200-V293 HydrophobicContact CG1-CG2 4.38Å
201V95.4Very high95.4Very high0 Ų015.3 Ų15.30%08%0.08CC..EExtended strand (participates in β ladder)trans-91.9166-175.6-64.10000111.6S203 G204 G205 I207 V236 L238 P240 Y272V201-S203 VanDerWaalsContact CG2-OG 3.28Å; V201-S203 WeakPolarHBondContact CG2-OG 3.36Å; V201-S203 PolarHBondContact O-N 3.02Å; V201-G204 PolarHBondContact O-N 2.85Å; V201-G205 VanDerWaalsContact CG2-C 3.48Å; V201-G205 WeakPolarHBondContact CG2-O 3.47Å; V201-G205 PolarHBondContact N-O 3.25Å; V201-I207 HydrophobicContact CG1-CD1 3.73Å; V201-I207 HydrophobicContact CG1-CG1 4.02Å; V201-V236 HydrophobicContact CG1-CG1 4.03Å; V201-L238 WeakPolarHBondContact CB-O 3.45Å; V201-L238 HydrophobicContact CG1-CB 4.23Å; V201-L238 HydrophobicContact CG1-CD2 4.37Å; V201-P240 HydrophobicContact CB-CG 4.47Å; V201-P240 HydrophobicContact CG1-CG 4.03Å; V201-P240 HydrophobicContact CG2-CG 4.32Å; V201-Y272 HydrophobicContact CG2-CD2 4.34Å; V201-Y272 HydrophobicContact CG2-CE2 3.53Å
202E93.1Very high95.4Very high50 Ų5011.5 Ų11.523%0.2346%0.06CC..THydrogen-bonded Turntrans-59.6-30-175.2-70.8-179.4169.900113.8G204 R237 L238 Y239 S294 L297E202-G204 PolarHBondContact O-N 3.14Å; E202-R237 WeakPolarHBondContact OE1-CA 3.41Å; E202-R237 WeakPolarHBondContact OE1-CB 3.4Å; E202-R237 WeakPolarHBondContact OE1-CG 3.49Å; E202-R237 IonicContact OE1-NE 3.18Å; E202-L238 PolarHBondContact N-O 3.29Å; E202-L238 VanDerWaalsContact N-O 3.08Å; E202-Y239 HydrophobicContact CB-CD2 3.87Å; E202-S294 WeakPolarHBondContact O-CB 3.32Å; E202-L297 HydrophobicContact CG-CD1 3.83Å; E202-L297 HydrophobicContact CG-CD2 4.11Å
203S93.7Very high95.4Very high22 Ų2214.9 Ų14.915%0.1547%0.072CC..THydrogen-bonded Turntrans-70.2-8.217666.40000113.7V201 G205 Y272 P275V201-S203 VanDerWaalsContact CG2-OG 3.28Å; V201-S203 WeakPolarHBondContact CG2-OG 3.36Å; V201-S203 PolarHBondContact O-N 3.02Å; S203-G205 VanDerWaalsContact C-N 3.28Å; S203-G205 PolarHBondContact OG-N 3.33Å; S203-Y272 PolarHBondContact OG-OH 3.33Å; S203-P275 WeakPolarHBondContact O-CB 3.2Å; S203-P275 WeakPolarHBondContact O-CG 3.47Å
204G93.9Very high95.3Very high0 Ų019 Ų190%09%0.092CC..SBendtrans82.32.4-169.900000114.1V201 E202 I278 P290V201-G204 PolarHBondContact O-N 2.85Å; E202-G204 PolarHBondContact O-N 3.14Å; G204-I278 WeakPolarHBondContact O-CD1 3.48Å; G204-P290 WeakPolarHBondContact CA-O 3.18Å
205G96.4Very high95.3Very high0 Ų019 Ų190%09%0.091CC..  trans-73.5172.716800000112.1V201 S203 T273V201-G205 VanDerWaalsContact CG2-C 3.48Å; V201-G205 WeakPolarHBondContact CG2-O 3.47Å; V201-G205 PolarHBondContact N-O 3.25Å; S203-G205 VanDerWaalsContact C-N 3.28Å; S203-G205 PolarHBondContact OG-N 3.33Å; G205-T273 CarbonylContact C-O 3.53Å; G205-T273 WeakPolarHBondContact CA-O 3.27Å
206I97.3Very high95.3Very high0 Ų019 Ų190%09%0.091CC..EExtended strand (participates in β ladder)trans-127.4150.9-176.764.2160.5000111.5V195 A197 G199 V200 N208 T212 F226 V228 Y272 T273 I278 L281V195-I206 HydrophobicContact CG2-CD1 4.07Å; A197-I206 HydrophobicContact CB-CB 4.06Å; A197-I206 HydrophobicContact CB-CD1 4.41Å; A197-I206 HydrophobicContact CB-CG2 4.23Å; G199-I206 CarbonylContact O-C 3.58Å; G199-I206 WeakPolarHBondContact O-CA 3.42Å; V200-I206 HydrophobicContact CG2-CG2 4.4Å; I206-N208 HydrophobicContact CD1-CB 4.38Å; I206-T212 HydrophobicContact CD1-CG2 3.92Å; I206-F226 HydrophobicContact CD1-CE1 4.5Å; I206-V228 HydrophobicContact CD1-CG1 4.13Å; I206-V228 HydrophobicContact CD1-CG2 3.73Å; I206-V228 HydrophobicContact CG1-CG2 4.46Å; I206-V228 HydrophobicContact CG2-CB 4.44Å; I206-V228 HydrophobicContact CG2-CG1 3.73Å; I206-V228 HydrophobicContact CG2-CG2 4.14Å; I206-Y272 CarbonylContact O-C 3.59Å; I206-Y272 WeakPolarHBondContact O-CA 3.49Å; I206-Y272 WeakPolarHBondContact O-CD2 3.47Å; I206-T273 HydrophobicContact CG1-CG2 4.42Å; I206-T273 PolarHBondContact N-O 3.01Å; I206-T273 PolarHBondContact O-N 3.31Å; I206-I278 HydrophobicContact CB-CD1 4.43Å; I206-I278 HydrophobicContact CG1-CD1 4.09Å; I206-I278 HydrophobicContact CG2-CD1 3.75Å; I206-L281 HydrophobicContact CG2-CD2 4.17Å
207I96.3Very high95.3Very high0 Ų023.2 Ų23.20%011%0.112CC..EExtended strand (participates in β ladder)trans-110.2122.6167.4-62.7172.1000106.8V63 E198 G199 V201 L238 V246 I270 D271 Y272V63-I207 HydrophobicContact CG2-CD1 4.33Å; V63-I207 HydrophobicContact CG2-CG2 4.03Å; E198-I207 PolarHBondContact N-O 3.45Å; G199-I207 PolarHBondContact N-O 2.92Å; G199-I207 PolarHBondContact O-N 3.32Å; V201-I207 HydrophobicContact CG1-CD1 3.73Å; V201-I207 HydrophobicContact CG1-CG1 4.02Å; I207-L238 HydrophobicContact CD1-CD2 3.89Å; I207-V246 HydrophobicContact CD1-CG1 4.33Å; I207-I270 HydrophobicContact CG2-CB 4.09Å; I207-I270 HydrophobicContact CG2-CD1 3.4Å; I207-I270 VanDerWaalsContact CG2-CD1 3.4Å; I207-I270 HydrophobicContact CG2-CG1 4.31Å; I207-I270 HydrophobicContact CG2-CG2 4.45Å; I207-D271 WeakPolarHBondContact CA-O 2.98Å; I207-Y272 HydrophobicContact CG1-CD2 4.49Å
208N95.4Very high95.4Very high13 Ų1325.1 Ų25.17%0.0713%0.125CC..EExtended strand (participates in β ladder)trans-148.1177.5178.1-166.642.7000109.3G196 I206 T212 I270 D271G196-N208 PolarHBondContact O-ND2 2.87Å; G196-N208 PolarHBondContact O-OD1 3.2Å; I206-N208 HydrophobicContact CD1-CB 4.38Å; N208-T212 HydrophobicContact CB-CG2 4.07Å; N208-T212 WeakPolarHBondContact CB-OG1 3.49Å; N208-T212 PolarHBondContact ND2-OG1 2.88Å; N208-I270 CarbonylContact O-C 3.56Å; N208-I270 WeakPolarHBondContact O-CA 3.39Å; N208-I270 VanDerWaalsContact O-CB 3.26Å; N208-I270 WeakPolarHBondContact O-CB 3.41Å; N208-D271 PolarHBondContact N-O 2.98Å; N208-D271 VanDerWaalsContact N-O 3.14Å; N208-D271 PolarHBondContact O-N 3.21Å
209K93.5Very high95.6Very high22 Ų2222.3 Ų22.310%0.09611%0.112CC..EExtended strand (participates in β ladder)trans-54.2147.2179.9-165.2165.1175.9179.60113.6S129 S155 D158 G211 T212 V269S129-K209 VanDerWaalsContact OG-CD 3.29Å; S129-K209 WeakPolarHBondContact OG-CD 3.46Å; S129-K209 PolarHBondContact OG-NZ 3.45Å; S155-K209 WeakPolarHBondContact OG-CD 3.41Å; S155-K209 WeakPolarHBondContact OG-CE 3.32Å; S155-K209 PolarHBondContact OG-NZ 2.92Å; D158-K209 IonicContact OD1-NZ 3.69Å; D158-K209 PolarHBondContact OD1-NZ 3.49Å; D158-K209 IonicContact OD2-NZ 3.54Å; D158-K209 PolarHBondContact OD2-NZ 3.4Å; K209-G211 PolarHBondContact O-N 2.9Å; K209-T212 WeakPolarHBondContact O-CB 3.4Å; K209-T212 PolarHBondContact O-N 3.37Å; K209-T212 PolarHBondContact O-OG1 3.25Å; K209-V269 WeakPolarHBondContact CA-O 3.37Å; K209-V269 WeakPolarHBondContact CG-O 3.48Å
210I93.3Very high95.7Very high56 Ų5627.9 Ų27.929%0.28714%0.136SC..THydrogen-bonded Turntrans-51.8125.7178.8-171.560.7000111.1H128 P268 V269 D271H128-I210 PolarHBondContact CE1-O 2.92Å; H128-I210 PolarHBondContact NE2-O 3.49Å; I210-P268 HydrophobicContact CD1-CG 4.13Å; I210-V269 PolarHBondContact N-O 3.38Å; I210-D271 HydrophobicContact CD1-CB 4.01Å
211G94Very high95.7Very high5 Ų531.6 Ų31.65%0.05217%0.167CC..THydrogen-bonded Turntrans109.1-3.7-175.100000113.9K209 Q214 M215 D271K209-G211 PolarHBondContact O-N 2.9Å; G211-Q214 VanDerWaalsContact CA-NE2 3.33Å; G211-Q214 WeakPolarHBondContact O-CG 3.38Å; G211-M215 WeakPolarHBondContact O-CB 3.39Å; G211-M215 PolarHBondContact O-N 3.46Å; G211-D271 PolarHBondContact N-OD2 3.34Å
212T96.6Very high95.7Very high0 Ų035.6 Ų35.60%019%0.185CC..Hα-helixtrans-74.5-42.2174.5-52.50000110.8H128 V195 I206 N208 K209 Q214 M215 A216 F226 D271H128-T212 PolarHBondContact CD2-OG1 3.37Å; V195-T212 HydrophobicContact CB-CG2 4.4Å; V195-T212 HydrophobicContact CG1-CG2 4.41Å; V195-T212 HydrophobicContact CG2-CG2 4.14Å; I206-T212 HydrophobicContact CD1-CG2 3.92Å; N208-T212 HydrophobicContact CB-CG2 4.07Å; N208-T212 WeakPolarHBondContact CB-OG1 3.49Å; N208-T212 PolarHBondContact ND2-OG1 2.88Å; K209-T212 WeakPolarHBondContact O-CB 3.4Å; K209-T212 PolarHBondContact O-N 3.37Å; K209-T212 PolarHBondContact O-OG1 3.25Å; T212-Q214 PolarHBondContact O-N 3.06Å; T212-M215 WeakPolarHBondContact O-CB 3.48Å; T212-M215 PolarHBondContact O-N 3.24Å; T212-A216 WeakPolarHBondContact O-CB 3.47Å; T212-A216 PolarHBondContact O-N 3.4Å; T212-F226 HydrophobicContact CG2-CZ 3.98Å; T212-D271 WeakPolarHBondContact CB-OD1 3.43Å; T212-D271 PolarHBondContact N-OD2 3.09Å
213Y96.9Very high95.9Very high82 Ų8240.2 Ų40.232%0.32221%0.211SC..Hα-helixtrans-63-45-180177-120.1000112.2M215 A216 M217 D271 T273 P274 L277Y213-M215 VanDerWaalsContact C-N 3.29Å; Y213-M215 PolarHBondContact O-N 3.1Å; Y213-A216 PolarHBondContact O-N 3.18Å; Y213-M217 HydrophobicContact CD2-CG 4.22Å; Y213-M217 HydrophobicContact CE1-CG 4.24Å; Y213-M217 HydrophobicContact CE2-CG 3.8Å; Y213-M217 HydrophobicContact CE2-SD 4.03Å; Y213-M217 WeakPolarHBondContact O-CG 3.48Å; Y213-M217 PolarHBondContact O-N 3.23Å; Y213-D271 PolarHBondContact N-OD1 2.89Å; Y213-D271 PolarHBondContact N-OD2 3.22Å; Y213-T273 WeakPolarHBondContact CA-OG1 3.41Å; Y213-T273 PolarHBondContact N-OG1 2.93Å; Y213-P274 VanDerWaalsContact CE2-CD 3.45Å; Y213-P274 HydrophobicContact CE2-CG 3.93Å; Y213-L277 HydrophobicContact CD2-CD1 3.96Å; Y213-L277 HydrophobicContact CE2-CD1 3.7Å
214Q95.9Very high96Very high88 Ų8841.5 Ų41.541%0.41121%0.214SC..Hα-helixtrans-60.6-40175.764.3-179.42.900111.6G211 T212 M217 C218G211-Q214 VanDerWaalsContact CA-NE2 3.33Å; G211-Q214 WeakPolarHBondContact O-CG 3.38Å; T212-Q214 PolarHBondContact O-N 3.06Å; Q214-M217 PolarHBondContact O-N 2.92Å; Q214-C218 PolarHBondContact O-N 3.19Å; Q214-C218 PolarHBondContact O-SG 3.49Å
215M96.8Very high96.1Very high0 Ų043.2 Ų43.20%023%0.225CC..Hα-helixtrans-65.5-44.7179-176.3-179.7-6600110.1L126 H128 T153 V183 V193 V195 G211 T212 Y213 M217 C218 S219 F226L126-M215 HydrophobicContact CD1-CE 4.46Å; L126-M215 HydrophobicContact CD2-CE 4.06Å; L126-M215 HydrophobicContact CD2-CG 4.11Å; L126-M215 HydrophobicContact CD2-SD 3.97Å; L126-M215 HydrophobicContact CG-CE 4.05Å; L126-M215 HydrophobicContact CG-SD 4.05Å; H128-M215 HydrophobicContact CB-CE 3.53Å; H128-M215 HydrophobicContact CB-SD 3.97Å; T153-M215 HydrophobicContact CG2-CE 3.37Å; V183-M215 HydrophobicContact CG1-CB 4.25Å; V183-M215 HydrophobicContact CG1-CE 4.48Å; V183-M215 HydrophobicContact CG1-CG 4.01Å; V183-M215 HydrophobicContact CG2-CE 4.22Å; V193-M215 HydrophobicContact CG1-CG 3.99Å; V193-M215 HydrophobicContact CG1-SD 3.42Å; V193-M215 WeakPolarHBondContact CG1-SD 3.29Å; V195-M215 HydrophobicContact CG1-SD 3.9Å; G211-M215 WeakPolarHBondContact O-CB 3.39Å; G211-M215 PolarHBondContact O-N 3.46Å; T212-M215 WeakPolarHBondContact O-CB 3.48Å; T212-M215 PolarHBondContact O-N 3.24Å; Y213-M215 VanDerWaalsContact C-N 3.29Å; Y213-M215 PolarHBondContact O-N 3.1Å; M215-M217 PolarHBondContact O-N 3.45Å; M215-C218 PolarHBondContact O-N 2.99Å; M215-S219 WeakPolarHBondContact O-CB 3.5Å; M215-S219 PolarHBondContact O-N 2.84Å; M215-S219 PolarHBondContact O-OG 3.25Å; M215-F226 HydrophobicContact CB-CE2 4.49Å; M215-F226 HydrophobicContact CG-CE2 4.18Å; M215-F226 HydrophobicContact SD-CE2 4.48Å
216A97.4Very high96.2Very high0 Ų043.2 Ų43.20%023%0.225CC..Hα-helixtrans-62.2-42.3178.200000112.4T212 Y213 S219 K220 F226 T273 L277T212-A216 WeakPolarHBondContact O-CB 3.47Å; T212-A216 PolarHBondContact O-N 3.4Å; Y213-A216 PolarHBondContact O-N 3.18Å; A216-S219 PolarHBondContact O-N 2.96Å; A216-K220 WeakPolarHBondContact O-CB 3.41Å; A216-K220 PolarHBondContact O-N 3.4Å; A216-F226 HydrophobicContact CB-CD1 4.43Å; A216-F226 HydrophobicContact CB-CD2 4.04Å; A216-F226 HydrophobicContact CB-CE1 4.1Å; A216-F226 HydrophobicContact CB-CE2 3.68Å; A216-F226 HydrophobicContact CB-CG 4.39Å; A216-F226 HydrophobicContact CB-CZ 3.7Å; A216-T273 HydrophobicContact CB-CG2 3.46Å; A216-T273 VanDerWaalsContact CB-CG2 3.46Å; A216-L277 HydrophobicContact CB-CB 3.9Å; A216-L277 HydrophobicContact CB-CD1 3.87Å
217M97.2Very high96.2Very high88 Ų8844.8 Ų44.843%0.43323%0.232SC..Hα-helixtrans-60.4-48.9175.1-74.8-66.2-69.400111.6Y213 Q214 M215 K220 A221 L277Y213-M217 HydrophobicContact CD2-CG 4.22Å; Y213-M217 HydrophobicContact CE1-CG 4.24Å; Y213-M217 HydrophobicContact CE2-CG 3.8Å; Y213-M217 HydrophobicContact CE2-SD 4.03Å; Y213-M217 WeakPolarHBondContact O-CG 3.48Å; Y213-M217 PolarHBondContact O-N 3.23Å; Q214-M217 PolarHBondContact O-N 2.92Å; M215-M217 PolarHBondContact O-N 3.45Å; M217-K220 PolarHBondContact O-N 3.3Å; M217-A221 PolarHBondContact O-N 2.97Å; M217-L277 HydrophobicContact CG-CD1 3.83Å; M217-L277 HydrophobicContact SD-CD1 3.54Å; M217-L277 VanDerWaalsContact SD-CD1 3.54Å; M217-L277 HydrophobicContact SD-CD2 3.76Å; M217-L277 HydrophobicContact SD-CG 4.27Å
218C96.9Very high96.3Very high43 Ų4344.8 Ų44.829%0.29123%0.232SC..Hα-helixtrans-64.7-41177.7-65.90000111.6L187 Q214 M215 K220 A221 H222L187-C218 HydrophobicContact CD1-CB 3.24Å; Q214-C218 PolarHBondContact O-N 3.19Å; Q214-C218 PolarHBondContact O-SG 3.49Å; M215-C218 PolarHBondContact O-N 2.99Å; C218-K220 VanDerWaalsContact C-N 3.33Å; C218-K220 PolarHBondContact O-N 2.66Å; C218-A221 PolarHBondContact O-N 3.43Å; C218-H222 PolarHBondContact O-CD2 3.37Å; C218-H222 VanDerWaalsContact O-CD2 3.29Å; C218-H222 PolarHBondContact O-N 3.27Å
219S96.9Very high96.4Very high0 Ų044.2 Ų44.20%023%0.228CC..Hα-helixtrans-59.7-43.7176-63.20000111.8V193 M215 A216 H222 N223 K224V193-S219 WeakPolarHBondContact CG2-OG 3.45Å; M215-S219 WeakPolarHBondContact O-CB 3.5Å; M215-S219 PolarHBondContact O-N 2.84Å; M215-S219 PolarHBondContact O-OG 3.25Å; A216-S219 PolarHBondContact O-N 2.96Å; S219-H222 CarbonylContact O-C 3.55Å; S219-H222 PolarHBondContact O-N 3.42Å; S219-N223 PolarHBondContact O-N 3.1Å; S219-N223 VanDerWaalsContact O-N 3.11Å; S219-K224 PolarHBondContact O-N 3.22Å
220K96.8Very high96.5Very high117 Ų11743.1 Ų43.151%0.50922%0.224SC..Hα-helixtrans-62.5-44.5176.6-17270.2175.3-161.30111.6A216 M217 C218 H222 N223 S276 L277A216-K220 WeakPolarHBondContact O-CB 3.41Å; A216-K220 PolarHBondContact O-N 3.4Å; M217-K220 PolarHBondContact O-N 3.3Å; C218-K220 VanDerWaalsContact C-N 3.33Å; C218-K220 PolarHBondContact O-N 2.66Å; K220-H222 VanDerWaalsContact C-N 3.28Å; K220-H222 PolarHBondContact O-N 3.03Å; K220-N223 PolarHBondContact O-N 3.03Å; K220-N223 VanDerWaalsContact O-N 3.09Å; K220-S276 PolarHBondContact NZ-O 3.38Å; K220-L277 HydrophobicContact CB-CD2 3.7Å; K220-L277 HydrophobicContact CG-CD2 3.86Å
221A96.5Very high96.6Very high78 Ų7840.7 Ų40.765%0.64521%0.211SC*.Hα-helixtrans-61.2-35.6178.100000112.8M217 C218 N223M217-A221 PolarHBondContact O-N 2.97Å; C218-A221 PolarHBondContact O-N 3.43Å; A221-N223 VanDerWaalsContact C-N 3.34Å
222H95.7Very high96.5Very high84 Ų8441.1 Ų41.139%0.38921%0.213SC..THydrogen-bonded Turntrans-89.47.9176.6-75.3-88.5000114.1C218 S219 K220 K224C218-H222 PolarHBondContact O-CD2 3.37Å; C218-H222 VanDerWaalsContact O-CD2 3.29Å; C218-H222 PolarHBondContact O-N 3.27Å; S219-H222 CarbonylContact O-C 3.55Å; S219-H222 PolarHBondContact O-N 3.42Å; K220-H222 VanDerWaalsContact C-N 3.28Å; K220-H222 PolarHBondContact O-N 3.03Å; H222-K224 HydrophobicContact CB-CG 3.94Å; H222-K224 PolarHBondContact O-N 3.08Å
223N95.9Very high96.3Very high146 Ų14641.4 Ų41.478%0.78121%0.214SC*.THydrogen-bonded Turntrans52.335.1-176.2-60.3-63.3000113.6S219 K220 A221S219-N223 PolarHBondContact O-N 3.1Å; S219-N223 VanDerWaalsContact O-N 3.11Å; K220-N223 PolarHBondContact O-N 3.03Å; K220-N223 VanDerWaalsContact O-N 3.09Å; A221-N223 VanDerWaalsContact C-N 3.34Å
224K96.5Very high96.2Very high50 Ų5038.6 Ų38.622%0.21720%0.204CC..  trans-92.3134.9175.8-57.9-61.1-179.5158.20109.6L187 V190 S219 H222 F226L187-K224 HydrophobicContact CD2-CG 4.39Å; L187-K224 WeakPolarHBondContact O-CE 3.45Å; V190-K224 WeakPolarHBondContact O-CD 3.27Å; V190-K224 VanDerWaalsContact O-CE 3.25Å; V190-K224 WeakPolarHBondContact O-CE 3.48Å; V190-K224 PolarHBondContact O-NZ 3.08Å; S219-K224 PolarHBondContact O-N 3.22Å; H222-K224 HydrophobicContact CB-CG 3.94Å; H222-K224 PolarHBondContact O-N 3.08Å; K224-F226 PolarHBondContact O-N 3.49Å
225P96.8Very high96.1Very high35 Ų3534.4 Ų34.423%0.22718%0.184CC..  trans-64132.3177.526.7-33.5000110.4D191 L192 V193 Y227 T279D191-P225 WeakPolarHBondContact O-CD 3.33Å; L192-P225 HydrophobicContact CB-CG 3.8Å; V193-P225 PolarHBondContact N-O 3.42Å; P225-Y227 HydrophobicContact CB-CE1 3.9Å; P225-Y227 HydrophobicContact CB-CE2 4.35Å; P225-T279 HydrophobicContact CB-CG2 4.38Å
226F97.8Very high95.9Very high1 Ų134.8 Ų34.80%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-111.9107179.2-170.5-87.9000109.5V193 V195 I206 T212 M215 A216 K224 V228 I278 T279V193-F226 HydrophobicContact CB-CD2 3.92Å; V193-F226 HydrophobicContact CB-CE2 4.47Å; V193-F226 HydrophobicContact CG1-CD2 3.71Å; V193-F226 HydrophobicContact CG1-CE2 3.76Å; V195-F226 HydrophobicContact CB-CZ 4.23Å; V195-F226 HydrophobicContact CG1-CE2 3.96Å; V195-F226 HydrophobicContact CG1-CZ 3.77Å; V195-F226 HydrophobicContact CG2-CE1 3.53Å; V195-F226 HydrophobicContact CG2-CE2 4.31Å; V195-F226 HydrophobicContact CG2-CZ 3.4Å; V195-F226 VanDerWaalsContact CG2-CZ 3.4Å; I206-F226 HydrophobicContact CD1-CE1 4.5Å; T212-F226 HydrophobicContact CG2-CZ 3.98Å; M215-F226 HydrophobicContact CB-CE2 4.49Å; M215-F226 HydrophobicContact CG-CE2 4.18Å; M215-F226 HydrophobicContact SD-CE2 4.48Å; A216-F226 HydrophobicContact CB-CD1 4.43Å; A216-F226 HydrophobicContact CB-CD2 4.04Å; A216-F226 HydrophobicContact CB-CE1 4.1Å; A216-F226 HydrophobicContact CB-CE2 3.68Å; A216-F226 HydrophobicContact CB-CG 4.39Å; A216-F226 HydrophobicContact CB-CZ 3.7Å; K224-F226 PolarHBondContact O-N 3.49Å; F226-V228 HydrophobicContact CD1-CG2 4.13Å; F226-V228 HydrophobicContact CE1-CG2 3.81Å; F226-I278 HydrophobicContact CD1-CG1 4.3Å; F226-I278 HydrophobicContact CE1-CG1 4.46Å; F226-T279 PolarHBondContact N-OG1 3.01Å; F226-T279 WeakPolarHBondContact O-CB 3.25Å; F226-T279 PolarHBondContact O-N 3.27Å; F226-T279 PolarHBondContact O-OG1 3.07Å
227Y97.9Very high95.6Very high33 Ų3341 Ų4113%0.12921%0.21CC..EExtended strand (participates in β ladder)trans-103.8132-177.5-61.8-32.9000111.1F118 L192 V193 I194 V195 P225 T279 L280 F282F118-Y227 HydrophobicContact CB-CE2 4.43Å; L192-Y227 HydrophobicContact CB-CE2 4.4Å; L192-Y227 HydrophobicContact CD1-CD2 4.28Å; V193-Y227 PolarHBondContact O-N 2.95Å; I194-Y227 WeakPolarHBondContact CA-O 3.49Å; I194-Y227 HydrophobicContact CG1-CD2 4.4Å; V195-Y227 PolarHBondContact N-O 3.3Å; P225-Y227 HydrophobicContact CB-CE1 3.9Å; P225-Y227 HydrophobicContact CB-CE2 4.35Å; Y227-T279 HydrophobicContact CE1-CG2 4.02Å; Y227-L280 HydrophobicContact CD1-CB 3.95Å; Y227-L280 HydrophobicContact CE1-CB 4.19Å; Y227-L280 HydrophobicContact CE1-CD1 3.99Å; Y227-L280 HydrophobicContact CE1-CG 4.26Å; Y227-F282 AromaticContact CD1-CE2 3.93Å; Y227-F282 HydrophobicContact CD1-CE2 3.93Å; Y227-F282 HydrophobicContact CD2-CE2 4.2Å; Y227-F282 AromaticContact CG-CE2 3.72Å; Y227-F282 HydrophobicContact CG-CE2 3.72Å
228V97.9Very high95.4Very high0 Ų038.4 Ų38.40%020%0.198CC..EExtended strand (participates in β ladder)trans-106.3138.2175.5176.90000108.6V195 A197 I206 F226 A230 I278 L280 L281 F282V195-V228 HydrophobicContact CG2-CG2 3.98Å; A197-V228 HydrophobicContact CB-CG1 3.96Å; I206-V228 HydrophobicContact CD1-CG1 4.13Å; I206-V228 HydrophobicContact CD1-CG2 3.73Å; I206-V228 HydrophobicContact CG1-CG2 4.46Å; I206-V228 HydrophobicContact CG2-CB 4.44Å; I206-V228 HydrophobicContact CG2-CG1 3.73Å; I206-V228 HydrophobicContact CG2-CG2 4.14Å; F226-V228 HydrophobicContact CD1-CG2 4.13Å; F226-V228 HydrophobicContact CE1-CG2 3.81Å; V228-A230 HydrophobicContact CG1-CB 4.47Å; V228-I278 HydrophobicContact CB-CG2 4.49Å; V228-I278 HydrophobicContact CG2-CD1 4.16Å; V228-I278 HydrophobicContact CG2-CG1 4.11Å; V228-I278 HydrophobicContact CG2-CG2 3.77Å; V228-L280 PolarHBondContact N-O 3.42Å; V228-L281 HydrophobicContact CB-CG 4.13Å; V228-L281 HydrophobicContact CG1-CD2 4.46Å; V228-L281 CarbonylContact O-C 3.46Å; V228-L281 WeakPolarHBondContact O-CA 3.41Å; V228-F282 PolarHBondContact O-N 2.89Å
229V97.3Very high95.3Very high0 Ų043 Ų430%021%0.21CC..EExtended strand (participates in β ladder)trans-121.6115.7176.9-172.60000108.8V111 V133 V134 V137 I194 V195 G196 A197 F282V111-V229 HydrophobicContact CG1-CG1 3.15Å; V133-V229 HydrophobicContact CB-CG1 4.1Å; V133-V229 HydrophobicContact CG1-CG1 3.43Å; V133-V229 VanDerWaalsContact CG1-CG1 3.43Å; V134-V229 HydrophobicContact CG2-CB 4.42Å; V137-V229 HydrophobicContact CG2-CG1 3.92Å; I194-V229 HydrophobicContact CG2-CG2 3.64Å; V195-V229 PolarHBondContact O-N 3.17Å; G196-V229 WeakPolarHBondContact CA-O 3.27Å; A197-V229 PolarHBondContact N-O 2.78Å; V229-F282 HydrophobicContact CG2-CB 4.31Å; V229-F282 HydrophobicContact CG2-CD2 4.44Å
230A95.5Very high95.2Very high0 Ų043 Ų430%021%0.21CC..  trans-149143-175.100000111.6A197 V200 V228 F282 T283A197-A230 HydrophobicContact CB-CB 4Å; V200-A230 HydrophobicContact CG2-CB 3.78Å; V228-A230 HydrophobicContact CG1-CB 4.47Å; A230-F282 PolarHBondContact N-O 3.42Å; A230-F282 VanDerWaalsContact O-O 3.06Å; A230-T283 VanDerWaalsContact O-CA 3.26Å; A230-T283 WeakPolarHBondContact O-CA 3.47Å; A230-T283 WeakPolarHBondContact O-CG2 3.42Å
231E94.8Very high95.1Very high4 Ų443.8 Ų43.82%0.01922%0.219CC..  trans-79.3149.8170.4-52.9100.2139.100111.6V133 F233 K234V133-E231 HydrophobicContact CG2-CG 4.44Å; V133-E231 WeakPolarHBondContact CG2-OE1 3.28Å; V133-E231 VanDerWaalsContact CG2-OE2 3.31Å; V133-E231 WeakPolarHBondContact CG2-OE2 3.06Å; E231-F233 VanDerWaalsContact C-N 3.26Å; E231-F233 HydrophobicContact CB-CD1 3.47Å; E231-F233 VanDerWaalsContact CB-CD1 3.47Å; E231-F233 HydrophobicContact CB-CE1 3.12Å; E231-F233 HydrophobicContact CB-CG 4.34Å; E231-F233 HydrophobicContact CB-CZ 3.72Å; E231-F233 HydrophobicContact CG-CD1 4.34Å; E231-F233 HydrophobicContact CG-CE1 3.53Å; E231-F233 HydrophobicContact CG-CZ 3.97Å; E231-F233 PolarHBondContact O-N 2.72Å; E231-K234 WeakPolarHBondContact O-CB 3.24Å; E231-K234 PolarHBondContact O-N 2.93Å; E231-K234 VanDerWaalsContact O-N 3.07Å; E231-K234 WeakPolarHBondContact OE2-CE 3.34Å; E231-K234 IonicContact OE2-NZ 2.66Å; E231-K234 PolarHBondContact OE2-NZ 3.47Å
232S93.2Very high94.9Very high14 Ų1443.2 Ų43.210%0.09821%0.205CC..G310 helixtrans-60.9-30.6-176.459.50000113.5K234 F235 D284S232-K234 PolarHBondContact O-N 3.35Å; S232-F235 VanDerWaalsContact O-CB 3.31Å; S232-F235 WeakPolarHBondContact O-CB 3.45Å; S232-F235 WeakPolarHBondContact O-CD1 3.45Å; S232-F235 WeakPolarHBondContact O-CG 3.47Å; S232-F235 PolarHBondContact O-N 3.35Å; S232-D284 WeakPolarHBondContact CB-OD1 2.99Å; S232-D284 WeakPolarHBondContact CB-OD2 3.43Å; S232-D284 PolarHBondContact N-OD1 2.95Å; S232-D284 PolarHBondContact OG-OD1 3.36Å; S232-D284 VanDerWaalsContact OG-OD1 3.06Å; S232-D284 PolarHBondContact OG-OD2 2.89Å
233F92.3Very high94.8Very high6 Ų642.5 Ų42.53%0.02620%0.202CC..G310 helixtrans-66.6-7.5177.167.5-100.4000114A23 V24 S67 G68 L71 I104 E231A23-F233 HydrophobicContact CB-CD2 3.84Å; A23-F233 HydrophobicContact CB-CE2 3.61Å; V24-F233 HydrophobicContact CG2-CZ 4.5Å; S67-F233 WeakPolarHBondContact CB-O 3.31Å; S67-F233 PolarHBondContact OG-O 3.2Å; G68-F233 PolarHBondContact N-O 3.2Å; L71-F233 HydrophobicContact CD1-CB 4.48Å; I104-F233 HydrophobicContact CB-CD1 4.21Å; I104-F233 HydrophobicContact CD1-CB 3.85Å; I104-F233 HydrophobicContact CD1-CD1 4.26Å; I104-F233 HydrophobicContact CD1-CG 4.17Å; I104-F233 HydrophobicContact CG1-CB 4.13Å; I104-F233 HydrophobicContact CG1-CD1 3.85Å; I104-F233 HydrophobicContact CG1-CG 4.25Å; I104-F233 HydrophobicContact CG2-CD1 3.56Å; I104-F233 HydrophobicContact CG2-CE1 3.55Å; I104-F233 HydrophobicContact CG2-CG 4.26Å; I104-F233 HydrophobicContact CG2-CZ 4.28Å; E231-F233 VanDerWaalsContact C-N 3.26Å; E231-F233 HydrophobicContact CB-CD1 3.47Å; E231-F233 VanDerWaalsContact CB-CD1 3.47Å; E231-F233 HydrophobicContact CB-CE1 3.12Å; E231-F233 HydrophobicContact CB-CG 4.34Å; E231-F233 HydrophobicContact CB-CZ 3.72Å; E231-F233 HydrophobicContact CG-CD1 4.34Å; E231-F233 HydrophobicContact CG-CE1 3.53Å; E231-F233 HydrophobicContact CG-CZ 3.97Å; E231-F233 PolarHBondContact O-N 2.72Å
234K94.4Very high94.6Very high24 Ų2443.3 Ų43.310%0.10420%0.201CC..G310 helixtrans-92.91.3174.2-63.3177.5170.8168.10113.2A64 A197 G199 V200 E231 S232 V236A64-K234 HydrophobicContact CB-CG 4.12Å; A197-K234 VanDerWaalsContact O-CD 3.29Å; A197-K234 WeakPolarHBondContact O-CD 3.41Å; A197-K234 WeakPolarHBondContact O-CE 3.46Å; A197-K234 PolarHBondContact O-NZ 3.43Å; G199-K234 CarbonylContact C-O 3.55Å; G199-K234 VanDerWaalsContact CA-O 3.32Å; G199-K234 WeakPolarHBondContact CA-O 3.22Å; V200-K234 PolarHBondContact N-O 2.86Å; E231-K234 WeakPolarHBondContact O-CB 3.24Å; E231-K234 PolarHBondContact O-N 2.93Å; E231-K234 VanDerWaalsContact O-N 3.07Å; E231-K234 WeakPolarHBondContact OE2-CE 3.34Å; E231-K234 IonicContact OE2-NZ 2.66Å; E231-K234 PolarHBondContact OE2-NZ 3.47Å; S232-K234 PolarHBondContact O-N 3.35Å; K234-V236 PolarHBondContact O-N 3.07Å
235F94.4Very high94.4Very high0 Ų044 Ų440%021%0.207CC..EExtended strand (participates in β ladder)trans-71.8126.5177.1-77.232.1000107.9S67 V200 S232 T283 L288 V293 E296 L297 L300 Y301S67-F235 VanDerWaalsContact CB-O 3.28Å; S67-F235 WeakPolarHBondContact CB-O 3.49Å; V200-F235 HydrophobicContact CB-CD1 3.75Å; V200-F235 HydrophobicContact CB-CE1 3.9Å; V200-F235 HydrophobicContact CB-CG 4.36Å; V200-F235 HydrophobicContact CG1-CD1 4.39Å; V200-F235 HydrophobicContact CG1-CE1 4.2Å; V200-F235 HydrophobicContact CG1-CZ 4.47Å; V200-F235 HydrophobicContact CG2-CD1 3.96Å; V200-F235 HydrophobicContact CG2-CE1 3.83Å; V200-F235 WeakPolarHBondContact O-CA 3.24Å; S232-F235 VanDerWaalsContact O-CB 3.31Å; S232-F235 WeakPolarHBondContact O-CB 3.45Å; S232-F235 WeakPolarHBondContact O-CD1 3.45Å; S232-F235 WeakPolarHBondContact O-CG 3.47Å; S232-F235 PolarHBondContact O-N 3.35Å; F235-T283 HydrophobicContact CE1-CG2 3.94Å; F235-T283 HydrophobicContact CZ-CG2 3.87Å; F235-L288 HydrophobicContact CE2-CD1 4.25Å; F235-L288 HydrophobicContact CZ-CD1 3.95Å; F235-V293 HydrophobicContact CD2-CG1 4.17Å; F235-V293 HydrophobicContact CE2-CG1 3.78Å; F235-V293 HydrophobicContact CZ-CG1 4.24Å; F235-E296 HydrophobicContact CE2-CB 4.49Å; F235-L297 HydrophobicContact CB-CD1 4.12Å; F235-L297 HydrophobicContact CB-CG 4.44Å; F235-L297 HydrophobicContact CD2-CB 4.3Å; F235-L297 HydrophobicContact CD2-CD1 4.45Å; F235-L300 HydrophobicContact CB-CD1 4.33Å; F235-L300 HydrophobicContact CD2-CD1 3.88Å; F235-L300 HydrophobicContact CG-CD1 4.28Å; F235-Y301 PolarHBondContact O-OH 2.96Å; F235-Y301 VanDerWaalsContact O-OH 3.1Å
236V92.8Very high94.2Very high7 Ų742.5 Ų42.54%0.04220%0.197CC..EExtended strand (participates in β ladder)trans-126140.1-172.482.20000110.7V63 V200 V201 K234 L238V63-V236 HydrophobicContact CG1-CB 4.06Å; V63-V236 HydrophobicContact CG1-CG1 3.98Å; V63-V236 HydrophobicContact CG1-CG2 4.02Å; V200-V236 PolarHBondContact O-N 3Å; V201-V236 HydrophobicContact CG1-CG1 4.03Å; K234-V236 PolarHBondContact O-N 3.07Å; V236-L238 HydrophobicContact CG1-CB 3.79Å; V236-L238 PolarHBondContact O-N 3.48Å
237R91.3Very high93.9Very high130 Ų13044.3 Ų44.349%0.49121%0.209SC..SBendtrans-7775.4173.1-68-170.373.4-178.34.6111.2E202 L297 Y301E202-R237 WeakPolarHBondContact OE1-CA 3.41Å; E202-R237 WeakPolarHBondContact OE1-CB 3.4Å; E202-R237 WeakPolarHBondContact OE1-CG 3.49Å; E202-R237 IonicContact OE1-NE 3.18Å; R237-L297 HydrophobicContact CG-CD2 3.81Å; R237-Y301 HydrophobicContact CG-CD1 4.1Å; R237-Y301 HydrophobicContact CG-CD2 4.18Å; R237-Y301 HydrophobicContact CG-CE1 3.83Å; R237-Y301 HydrophobicContact CG-CE2 3.92Å; R237-Y301 HydrophobicContact CG-CG 4.25Å
238L92.3Very high93.4Very high34 Ų3446.2 Ų46.218%0.17822%0.221CC..  trans-140.8144176.4-17268.8000108.2V201 E202 I207 V236 P247V201-L238 WeakPolarHBondContact CB-O 3.45Å; V201-L238 HydrophobicContact CG1-CB 4.23Å; V201-L238 HydrophobicContact CG1-CD2 4.37Å; E202-L238 PolarHBondContact N-O 3.29Å; E202-L238 VanDerWaalsContact N-O 3.08Å; I207-L238 HydrophobicContact CD1-CD2 3.89Å; V236-L238 HydrophobicContact CG1-CB 3.79Å; V236-L238 PolarHBondContact O-N 3.48Å; L238-P247 HydrophobicContact CD1-CG 3.97Å; L238-P247 HydrophobicContact CD2-CG 4.36Å
239Y94.6Very high92.8Very high140 Ų14051.1 Ų51.155%0.54924%0.243SC..  trans-131.673.9179.3-158.6-81.8000110.4E202 L241E202-Y239 HydrophobicContact CB-CD2 3.87Å; Y239-L241 HydrophobicContact CD1-CD2 3.68Å; Y239-L241 HydrophobicContact CE1-CD2 3.52Å
240P94.8Very high92.3Very high1 Ų151.7 Ų51.71%0.00625%0.245CC..  trans-74.8131.3176.930.7-28.2000110V201 D245 V246 Y272V201-P240 HydrophobicContact CB-CG 4.47Å; V201-P240 HydrophobicContact CG1-CG 4.03Å; V201-P240 HydrophobicContact CG2-CG 4.32Å; P240-D245 HydrophobicContact CB-CB 3.94Å; P240-V246 HydrophobicContact CB-CG2 4.08Å; P240-V246 HydrophobicContact CG-CG2 4.46Å; P240-Y272 HydrophobicContact CB-CD1 4.28Å; P240-Y272 HydrophobicContact CB-CE1 4.33Å; P240-Y272 HydrophobicContact CB-CG 4.44Å; P240-Y272 HydrophobicContact CG-CD1 4.15Å; P240-Y272 HydrophobicContact CG-CD2 3.76Å; P240-Y272 HydrophobicContact CG-CE1 4.05Å; P240-Y272 HydrophobicContact CG-CE2 3.7Å; P240-Y272 HydrophobicContact CG-CG 3.99Å; P240-Y272 VanDerWaalsContact O-CE1 3.3Å; P240-Y272 WeakPolarHBondContact O-CE1 3.42Å; P240-Y272 PolarHBondContact O-OH 3.37Å
241L93.7Very high91.9Very high132 Ų13253 Ų5369%0.69125%0.251SS*.SBendtrans-87.4-31.2174.5-51.5175.9000110.7Y239 D245Y239-L241 HydrophobicContact CD1-CD2 3.68Å; Y239-L241 HydrophobicContact CE1-CD2 3.52Å; L241-D245 VanDerWaalsContact CA-OD2 3.32Å; L241-D245 WeakPolarHBondContact CA-OD2 3.38Å; L241-D245 WeakPolarHBondContact CB-OD2 3.38Å; L241-D245 PolarHBondContact N-OD2 2.98Å
242N93.7Very high91.5Very high67 Ų6754.2 Ų54.236%0.35826%0.256SS..SBendtrans-142.5-179.4-179.165.763.5000111.2Q244 D245N242-Q244 VanDerWaalsContact C-N 3.29Å; N242-Q244 PolarHBondContact O-N 3.07Å; N242-Q244 VanDerWaalsContact OD1-CA 3.29Å; N242-Q244 WeakPolarHBondContact OD1-CA 3.33Å; N242-Q244 WeakPolarHBondContact OD1-CB 3.46Å; N242-Q244 PolarHBondContact OD1-N 3.3Å; N242-D245 PolarHBondContact N-OD2 2.98Å; N242-D245 VanDerWaalsContact ND2-CG 3.28Å; N242-D245 PolarHBondContact ND2-OD1 3.09Å; N242-D245 PolarHBondContact ND2-OD2 2.97Å; N242-D245 PolarHBondContact O-N 3.38Å; N242-D245 PolarHBondContact OD1-N 3.01Å; N242-D245 VanDerWaalsContact OD1-N 3.11Å; N242-D245 PolarHBondContact OD1-OD1 3.5Å
243Q93.5Very high90.9Very high69 Ų6958.9 Ų58.932%0.32227%0.274SS..SBendtrans-65.1-30.3-179.8-60.8-63.1-11.900113.6K251 Y272Q243-K251 WeakPolarHBondContact O-CE 3.49Å; Q243-Y272 PolarHBondContact NE2-O 3.44Å
244Q90.3Very high90Very high163 Ų16359.3 Ų59.376%0.76228%0.279SS*.THydrogen-bonded Turntrans-73.2-30-179.2-57.2-177.2-9.800111.8N242 V246 K251N242-Q244 VanDerWaalsContact C-N 3.29Å; N242-Q244 PolarHBondContact O-N 3.07Å; N242-Q244 VanDerWaalsContact OD1-CA 3.29Å; N242-Q244 WeakPolarHBondContact OD1-CA 3.33Å; N242-Q244 WeakPolarHBondContact OD1-CB 3.46Å; N242-Q244 PolarHBondContact OD1-N 3.3Å; Q244-V246 PolarHBondContact O-N 3.47Å; Q244-K251 PolarHBondContact O-NZ 3.26Å
245D93.3Very high89.1Confident65 Ų6563.7 Ų63.735%0.34830%0.304SS..THydrogen-bonded Turntrans-71.1-13.3-178.3-57.8-19.4000113.6P240 L241 N242 P247P240-D245 HydrophobicContact CB-CB 3.94Å; L241-D245 VanDerWaalsContact CA-OD2 3.32Å; L241-D245 WeakPolarHBondContact CA-OD2 3.38Å; L241-D245 WeakPolarHBondContact CB-OD2 3.38Å; L241-D245 PolarHBondContact N-OD2 2.98Å; N242-D245 PolarHBondContact N-OD2 2.98Å; N242-D245 VanDerWaalsContact ND2-CG 3.28Å; N242-D245 PolarHBondContact ND2-OD1 3.09Å; N242-D245 PolarHBondContact ND2-OD2 2.97Å; N242-D245 PolarHBondContact O-N 3.38Å; N242-D245 PolarHBondContact OD1-N 3.01Å; N242-D245 VanDerWaalsContact OD1-N 3.11Å; N242-D245 PolarHBondContact OD1-OD1 3.5Å; D245-P247 WeakPolarHBondContact O-CD 3.38Å
246V91.9Very high88.2Confident3 Ų365 Ų652%0.01831%0.311CS..SBendtrans-66.4128.1172.7-178.30000108.5I207 P240 Q244 D248 F250 K251 I270I207-V246 HydrophobicContact CD1-CG1 4.33Å; P240-V246 HydrophobicContact CB-CG2 4.08Å; P240-V246 HydrophobicContact CG-CG2 4.46Å; Q244-V246 PolarHBondContact O-N 3.47Å; V246-D248 PolarHBondContact O-N 3.43Å; V246-F250 HydrophobicContact CG1-CB 4.34Å; V246-K251 HydrophobicContact CB-CG 4.24Å; V246-K251 HydrophobicContact CG1-CG 4.07Å; V246-K251 WeakPolarHBondContact O-CE 3.32Å; V246-K251 PolarHBondContact O-NZ 2.53Å; V246-I270 HydrophobicContact CG1-CD1 4.02Å
247P91.2Very high87.3Confident38 Ų3867.7 Ų67.725%0.24733%0.325CS..  trans-57.6137.4179.4-29.435.7000113.3L238 D245 K249 F250 K251L238-P247 HydrophobicContact CD1-CG 3.97Å; L238-P247 HydrophobicContact CD2-CG 4.36Å; D245-P247 WeakPolarHBondContact O-CD 3.38Å; P247-K249 HydrophobicContact CB-CD 4.39Å; P247-K249 HydrophobicContact CB-CG 3.79Å; P247-K249 PolarHBondContact O-N 2.82Å; P247-K249 VanDerWaalsContact O-N 3.14Å; P247-F250 HydrophobicContact CB-CD2 3.83Å; P247-F250 HydrophobicContact CB-CE2 4.15Å; P247-F250 HydrophobicContact CG-CD2 3.94Å; P247-F250 HydrophobicContact CG-CE2 3.98Å; P247-F250 PolarHBondContact O-N 2.92Å; P247-K251 PolarHBondContact O-N 3.4Å
248D88.4Confident86.5Confident73 Ų7368.4 Ų68.439%0.3933%0.332SS..Hα-helixtrans-61.7-27.6-177-66-16.6000113.1V246 F250 K251 Y252V246-D248 PolarHBondContact O-N 3.43Å; D248-F250 PolarHBondContact O-N 3.1Å; D248-F250 VanDerWaalsContact O-N 3.09Å; D248-K251 PolarHBondContact O-N 3Å; D248-K251 VanDerWaalsContact O-N 3.14Å; D248-K251 IonicContact OD1-NZ 2.73Å; D248-K251 PolarHBondContact OD1-NZ 3.31Å; D248-Y252 HydrophobicContact CB-CD2 4.21Å; D248-Y252 HydrophobicContact CB-CE2 4.49Å; D248-Y252 PolarHBondContact O-N 3.34Å; D248-Y252 VanDerWaalsContact O-N 3.07Å
249K85.4Confident85.5Confident104 Ų10471.5 Ų71.545%0.45236%0.356SS..Hα-helixtrans-55.9-22.7171.566.7178.2-177.6177.40114.3M57 S61 P247M57-K249 HydrophobicContact CE-CD 4.37Å; S61-K249 WeakPolarHBondContact CB-O 3.49Å; P247-K249 HydrophobicContact CB-CD 4.39Å; P247-K249 HydrophobicContact CB-CG 3.79Å; P247-K249 PolarHBondContact O-N 2.82Å; P247-K249 VanDerWaalsContact O-N 3.14Å
250F86.6Confident84.3Confident11 Ų1167.5 Ų67.55%0.04834%0.344CS..Hα-helixtrans-100.5-35.5175.9-55.9-46.6000111.6M57 V63 V246 P247 D248 Y252 I270M57-F250 HydrophobicContact CE-CE1 4.47Å; V63-F250 HydrophobicContact CB-CD1 4.45Å; V63-F250 HydrophobicContact CB-CE1 4.45Å; V63-F250 HydrophobicContact CG1-CZ 4.44Å; V63-F250 HydrophobicContact CG2-CB 3.91Å; V63-F250 HydrophobicContact CG2-CD1 3.74Å; V63-F250 HydrophobicContact CG2-CD2 4.02Å; V63-F250 HydrophobicContact CG2-CE1 4.16Å; V63-F250 HydrophobicContact CG2-CE2 4.41Å; V63-F250 HydrophobicContact CG2-CG 3.65Å; V63-F250 HydrophobicContact CG2-CZ 4.46Å; V246-F250 HydrophobicContact CG1-CB 4.34Å; P247-F250 HydrophobicContact CB-CD2 3.83Å; P247-F250 HydrophobicContact CB-CE2 4.15Å; P247-F250 HydrophobicContact CG-CD2 3.94Å; P247-F250 HydrophobicContact CG-CE2 3.98Å; P247-F250 PolarHBondContact O-N 2.92Å; D248-F250 PolarHBondContact O-N 3.1Å; D248-F250 VanDerWaalsContact O-N 3.09Å; F250-Y252 VanDerWaalsContact C-N 3.33Å; F250-Y252 PolarHBondContact O-N 3.3Å; F250-I270 VanDerWaalsContact C-CD1 3.41Å; F250-I270 HydrophobicContact CB-CD1 3.59Å; F250-I270 WeakPolarHBondContact O-CD1 3.32Å; F250-I270 VanDerWaalsContact O-CG1 3.28Å; F250-I270 WeakPolarHBondContact O-CG1 3.35Å
251K87Confident82.8Confident27 Ų2779.7 Ų79.712%0.11739%0.39CS..Hα-helixtrans-66.1-32.8-178.2-68.9-177.7-172.21370113.6Q243 Q244 V246 P247 D248 P268 V269Q243-K251 WeakPolarHBondContact O-CE 3.49Å; Q244-K251 PolarHBondContact O-NZ 3.26Å; V246-K251 HydrophobicContact CB-CG 4.24Å; V246-K251 HydrophobicContact CG1-CG 4.07Å; V246-K251 WeakPolarHBondContact O-CE 3.32Å; V246-K251 PolarHBondContact O-NZ 2.53Å; P247-K251 PolarHBondContact O-N 3.4Å; D248-K251 PolarHBondContact O-N 3Å; D248-K251 VanDerWaalsContact O-N 3.14Å; D248-K251 IonicContact OD1-NZ 2.73Å; D248-K251 PolarHBondContact OD1-NZ 3.31Å; K251-P268 WeakPolarHBondContact O-CA 3.38Å; K251-V269 VanDerWaalsContact O-CG2 3.27Å; K251-V269 WeakPolarHBondContact O-CG2 3.45Å; K251-V269 PolarHBondContact O-N 3.15Å
252Y86.9Confident81.8Confident30 Ų3077.5 Ų77.512%0.11838%0.379CS..SBendtrans-122.1150.2-176.2-58.1-79.9000110.4D248 F250 L257 L263 E266D248-Y252 HydrophobicContact CB-CD2 4.21Å; D248-Y252 HydrophobicContact CB-CE2 4.49Å; D248-Y252 PolarHBondContact O-N 3.34Å; D248-Y252 VanDerWaalsContact O-N 3.07Å; F250-Y252 VanDerWaalsContact C-N 3.33Å; F250-Y252 PolarHBondContact O-N 3.3Å; Y252-L257 HydrophobicContact CD2-CD2 4.44Å; Y252-L263 HydrophobicContact CD1-CD2 4.44Å; Y252-L263 HydrophobicContact CD2-CD1 4.5Å; Y252-L263 HydrophobicContact CD2-CD2 3.99Å; Y252-L263 HydrophobicContact CE2-CB 4.43Å; Y252-L263 HydrophobicContact CE2-CD1 4.24Å; Y252-L263 HydrophobicContact CE2-CD2 4.11Å; Y252-L263 HydrophobicContact CG-CD2 4.16Å; Y252-E266 HydrophobicContact CD1-CB 4.07Å; Y252-E266 HydrophobicContact CE1-CB 3.73Å
253K80.7Confident81Confident113 Ų11376.7 Ų76.749%0.49137%0.374SS..  trans-64.5148.4176.8-65.1-176.4178.5-179.90110.3D255 T256 L257 V269K253-D255 PolarHBondContact O-N 3.42Å; K253-T256 WeakPolarHBondContact O-CB 3.38Å; K253-T256 PolarHBondContact O-N 2.9Å; K253-T256 VanDerWaalsContact O-N 3.08Å; K253-L257 PolarHBondContact O-N 3.36Å; K253-L257 VanDerWaalsContact O-N 3.1Å; K253-V269 HydrophobicContact CG-CG1 4.18Å
254A73.9Confident80.1Confident15 Ų1577.8 Ų77.812%0.12439%0.39CS..Hα-helixtrans-55.3-38.7179.300000112.6L257 K258A254-L257 PolarHBondContact O-N 3.46Å; A254-K258 WeakPolarHBondContact O-CG 3.43Å; A254-K258 PolarHBondContact O-N 2.94Å; A254-K258 VanDerWaalsContact O-N 3.14Å
255D74.6Confident79.5Confident116 Ų11678.1 Ų78.162%0.6239%0.391SS*.Hα-helixtrans-66.3-40.7178.1-62.3-25.6000112.5K253 L257 K258 S259K253-D255 PolarHBondContact O-N 3.42Å; D255-L257 VanDerWaalsContact C-N 3.33Å; D255-L257 PolarHBondContact O-N 3.46Å; D255-K258 PolarHBondContact O-N 3.34Å; D255-S259 VanDerWaalsContact O-CB 3.3Å; D255-S259 WeakPolarHBondContact O-CB 3.43Å; D255-S259 PolarHBondContact O-N 3.41Å
256T76Confident79Confident27 Ų2778.3 Ų78.317%0.16639%0.39CS..Hα-helixtrans-61.7-43.4176.3-51.90000110.5K253 K258 S259 I260 E266K253-T256 WeakPolarHBondContact O-CB 3.38Å; K253-T256 PolarHBondContact O-N 2.9Å; K253-T256 VanDerWaalsContact O-N 3.08Å; T256-K258 VanDerWaalsContact C-N 3.31Å; T256-K258 PolarHBondContact O-N 2.77Å; T256-S259 PolarHBondContact O-N 2.89Å; T256-I260 HydrophobicContact CG2-CD1 3.67Å; T256-I260 HydrophobicContact CG2-CG1 4.29Å; T256-I260 WeakPolarHBondContact O-CB 3.49Å; T256-I260 PolarHBondContact O-N 2.97Å; T256-E266 HydrophobicContact CG2-CG 3.84Å
257L73.9Confident78.7Confident64 Ų6482.9 Ų82.934%0.33541%0.411SS..Hα-helixtrans-66-30.5178.2-68.7169.6000113.3Y252 K253 A254 D255 L263Y252-L257 HydrophobicContact CD2-CD2 4.44Å; K253-L257 PolarHBondContact O-N 3.36Å; K253-L257 VanDerWaalsContact O-N 3.1Å; A254-L257 PolarHBondContact O-N 3.46Å; D255-L257 VanDerWaalsContact C-N 3.33Å; D255-L257 PolarHBondContact O-N 3.46Å; L257-L263 HydrophobicContact CD2-CD2 4.06Å
258K73.7Confident78.6Confident145 Ų14583.3 Ų83.363%0.6341%0.414SS*.Hα-helixtrans-77.8-32.2175.7-69.7170.5-171.11680112.4G58 A254 D255 T256G58-K258 PolarHBondContact O-NZ 3.3Å; A254-K258 WeakPolarHBondContact O-CG 3.43Å; A254-K258 PolarHBondContact O-N 2.94Å; A254-K258 VanDerWaalsContact O-N 3.14Å; D255-K258 PolarHBondContact O-N 3.34Å; T256-K258 VanDerWaalsContact C-N 3.31Å; T256-K258 PolarHBondContact O-N 2.77Å
259S71.4Confident78.7Confident99 Ų9981.2 Ų81.269%0.69240%0.403SS*.Hα-helixtrans-90.2-39.1-172-176.10000113.5D255 T256D255-S259 VanDerWaalsContact O-CB 3.3Å; D255-S259 WeakPolarHBondContact O-CB 3.43Å; D255-S259 PolarHBondContact O-N 3.41Å; T256-S259 PolarHBondContact O-N 2.89Å
260I69.4Low79Confident55 Ų5576.7 Ų76.728%0.28238%0.384SS..  trans-105.3128.5-164.1-59.3-174.5000111.3T256 N262 E266T256-I260 HydrophobicContact CG2-CD1 3.67Å; T256-I260 HydrophobicContact CG2-CG1 4.29Å; T256-I260 WeakPolarHBondContact O-CB 3.49Å; T256-I260 PolarHBondContact O-N 2.97Å; I260-N262 WeakPolarHBondContact CG2-O 3.31Å; I260-E266 HydrophobicContact CD1-CG 3.67Å; I260-E266 WeakPolarHBondContact CD1-OE1 3.49Å
261R63.2Low79.4Confident258 Ų25876.6 Ų76.697%0.97438%0.384SS*.SBendtrans-83.6-19.7175.2-66.3-175-179.9-174.8-0113.6
262N73.3Confident79.9Confident85 Ų8575.9 Ų75.946%0.45538%0.38SS..  trans-127.7106.3-176.4-167.610.5000112.2I260 S264I260-N262 WeakPolarHBondContact CG2-O 3.31Å; N262-S264 VanDerWaalsContact CG-OG 3.22Å; N262-S264 PolarHBondContact ND2-OG 3.33Å; N262-S264 PolarHBondContact O-N 3.27Å; N262-S264 PolarHBondContact OD1-N 3.08Å; N262-S264 PolarHBondContact OD1-OG 3.03Å
263L75.9Confident80.4Confident51 Ų5174.4 Ų74.427%0.26738%0.375SS..G310 helixtrans-74.4-5.4-177.5-64.9170000113.8Y252 L257 E265 E266Y252-L263 HydrophobicContact CD1-CD2 4.44Å; Y252-L263 HydrophobicContact CD2-CD1 4.5Å; Y252-L263 HydrophobicContact CD2-CD2 3.99Å; Y252-L263 HydrophobicContact CE2-CB 4.43Å; Y252-L263 HydrophobicContact CE2-CD1 4.24Å; Y252-L263 HydrophobicContact CE2-CD2 4.11Å; Y252-L263 HydrophobicContact CG-CD2 4.16Å; L257-L263 HydrophobicContact CD2-CD2 4.06Å; L263-E265 VanDerWaalsContact C-N 3.29Å; L263-E265 PolarHBondContact O-N 3.12Å; L263-E266 PolarHBondContact O-N 3.13Å
264S74.6Confident81.2Confident92 Ų9270.4 Ų70.464%0.64336%0.36SS*.G310 helixtrans-71.8-18.4-175.565.20000114.9N262N262-S264 VanDerWaalsContact CG-OG 3.22Å; N262-S264 PolarHBondContact ND2-OG 3.33Å; N262-S264 PolarHBondContact O-N 3.27Å; N262-S264 PolarHBondContact OD1-N 3.08Å; N262-S264 PolarHBondContact OD1-OG 3.03Å
265E78.3Confident82.3Confident170 Ų17071.4 Ų71.479%0.79437%0.365SS*.G310 helixtrans-96.9-4.3-179.1-66.2176.6-164.900112.6L263L263-E265 VanDerWaalsContact C-N 3.29Å; L263-E265 PolarHBondContact O-N 3.12Å
266E83.3Confident83.3Confident68 Ų6869.7 Ų69.732%0.31836%0.362SS..PPolyproline II helixtrans-103.5147.6-175-73.6-66.715600112Y252 T256 I260 L263Y252-E266 HydrophobicContact CD1-CB 4.07Å; Y252-E266 HydrophobicContact CE1-CB 3.73Å; T256-E266 HydrophobicContact CG2-CG 3.84Å; I260-E266 HydrophobicContact CD1-CG 3.67Å; I260-E266 WeakPolarHBondContact CD1-OE1 3.49Å; L263-E266 PolarHBondContact O-N 3.13Å
267H84.5Confident84.3Confident100 Ų10069 Ų6946%0.46336%0.358SS..PPolyproline II helixtrans-93.6143.6173.762.469.8000110.9
268P89.3Confident85.4Confident47 Ų4766.6 Ų66.631%0.30535%0.345SS..PPolyproline II helixtrans-67.8150.1173.329.7-34.7000110.7I210 K251I210-P268 HydrophobicContact CD1-CG 4.13Å; K251-P268 WeakPolarHBondContact O-CA 3.38Å
269V89.9Confident86.5Confident28 Ų2862.8 Ų62.817%0.1733%0.334CS..SBendtrans-93.3-18.9175.2-630000113.1K209 I210 K251 K253K209-V269 WeakPolarHBondContact CA-O 3.37Å; K209-V269 WeakPolarHBondContact CG-O 3.48Å; I210-V269 PolarHBondContact N-O 3.38Å; K251-V269 VanDerWaalsContact O-CG2 3.27Å; K251-V269 WeakPolarHBondContact O-CG2 3.45Å; K251-V269 PolarHBondContact O-N 3.15Å; K253-V269 HydrophobicContact CG-CG1 4.18Å
270I92.7Very high87.7Confident9 Ų959.8 Ų59.85%0.04631%0.31CS..EExtended strand (participates in β ladder)trans-130.1157.9-179.354.3158.3000111.3I207 N208 V246 F250I207-I270 HydrophobicContact CG2-CB 4.09Å; I207-I270 HydrophobicContact CG2-CD1 3.4Å; I207-I270 VanDerWaalsContact CG2-CD1 3.4Å; I207-I270 HydrophobicContact CG2-CG1 4.31Å; I207-I270 HydrophobicContact CG2-CG2 4.45Å; N208-I270 CarbonylContact O-C 3.56Å; N208-I270 WeakPolarHBondContact O-CA 3.39Å; N208-I270 VanDerWaalsContact O-CB 3.26Å; N208-I270 WeakPolarHBondContact O-CB 3.41Å; V246-I270 HydrophobicContact CG1-CD1 4.02Å; F250-I270 VanDerWaalsContact C-CD1 3.41Å; F250-I270 HydrophobicContact CB-CD1 3.59Å; F250-I270 WeakPolarHBondContact O-CD1 3.32Å; F250-I270 VanDerWaalsContact O-CG1 3.28Å; F250-I270 WeakPolarHBondContact O-CG1 3.35Å
271D95Very high89Confident9 Ų957.1 Ų57.15%0.04830%0.297CS..EExtended strand (participates in β ladder)trans-130.1161.6169.164.331.5000111.6I207 N208 I210 G211 T212 Y213I207-D271 WeakPolarHBondContact CA-O 2.98Å; N208-D271 PolarHBondContact N-O 2.98Å; N208-D271 VanDerWaalsContact N-O 3.14Å; N208-D271 PolarHBondContact O-N 3.21Å; I210-D271 HydrophobicContact CD1-CB 4.01Å; G211-D271 PolarHBondContact N-OD2 3.34Å; T212-D271 WeakPolarHBondContact CB-OD1 3.43Å; T212-D271 PolarHBondContact N-OD2 3.09Å; Y213-D271 PolarHBondContact N-OD1 2.89Å; Y213-D271 PolarHBondContact N-OD2 3.22Å
272Y97.4Very high90.6Very high12 Ų1244.9 Ų44.95%0.04725%0.25CS..EExtended strand (participates in β ladder)trans-98.9127.6173.4169.1-123.4000110.3V201 S203 I206 I207 P240 Q243 P274V201-Y272 HydrophobicContact CG2-CD2 4.34Å; V201-Y272 HydrophobicContact CG2-CE2 3.53Å; S203-Y272 PolarHBondContact OG-OH 3.33Å; I206-Y272 CarbonylContact O-C 3.59Å; I206-Y272 WeakPolarHBondContact O-CA 3.49Å; I206-Y272 WeakPolarHBondContact O-CD2 3.47Å; I207-Y272 HydrophobicContact CG1-CD2 4.49Å; P240-Y272 HydrophobicContact CB-CD1 4.28Å; P240-Y272 HydrophobicContact CB-CE1 4.33Å; P240-Y272 HydrophobicContact CB-CG 4.44Å; P240-Y272 HydrophobicContact CG-CD1 4.15Å; P240-Y272 HydrophobicContact CG-CD2 3.76Å; P240-Y272 HydrophobicContact CG-CE1 4.05Å; P240-Y272 HydrophobicContact CG-CE2 3.7Å; P240-Y272 HydrophobicContact CG-CG 3.99Å; P240-Y272 VanDerWaalsContact O-CE1 3.3Å; P240-Y272 WeakPolarHBondContact O-CE1 3.42Å; P240-Y272 PolarHBondContact O-OH 3.37Å; Q243-Y272 PolarHBondContact NE2-O 3.44Å; Y272-P274 HydrophobicContact CE1-CB 4.43Å
273T97.7Very high91.7Very high0 Ų040.8 Ų40.80%023%0.229CC..EExtended strand (participates in β ladder)trans-107.3118.9172.9-58.50000109.7G205 I206 Y213 A216 L277 I278G205-T273 CarbonylContact C-O 3.53Å; G205-T273 WeakPolarHBondContact CA-O 3.27Å; I206-T273 HydrophobicContact CG1-CG2 4.42Å; I206-T273 PolarHBondContact N-O 3.01Å; I206-T273 PolarHBondContact O-N 3.31Å; Y213-T273 WeakPolarHBondContact CA-OG1 3.41Å; Y213-T273 PolarHBondContact N-OG1 2.93Å; A216-T273 HydrophobicContact CB-CG2 3.46Å; A216-T273 VanDerWaalsContact CB-CG2 3.46Å; T273-L277 HydrophobicContact CG2-CB 4.24Å; T273-L277 HydrophobicContact CG2-CD1 4.18Å; T273-I278 HydrophobicContact CG2-CG1 4.35Å
274P96.9Very high92.5Very high29 Ų2939.1 Ų39.119%0.18822%0.22CC..  trans-68.5153.8-178.427.9-34.8000112.2Y213 Y272 S276 L277Y213-P274 VanDerWaalsContact CE2-CD 3.45Å; Y213-P274 HydrophobicContact CE2-CG 3.93Å; Y272-P274 HydrophobicContact CE1-CB 4.43Å; P274-S276 PolarHBondContact O-N 3.26Å; P274-S276 VanDerWaalsContact O-N 3.15Å; P274-L277 HydrophobicContact CG-CD1 3.82Å; P274-L277 HydrophobicContact CG-CG 4.12Å; P274-L277 PolarHBondContact O-N 3.14Å
275P96.5Very high93.4Very high35 Ų3538 Ų3823%0.22721%0.206CC..G310 helixtrans-61.1-26.7-175.424.7-36.6000114.2S203 L277 I278 P290S203-P275 WeakPolarHBondContact O-CB 3.2Å; S203-P275 WeakPolarHBondContact O-CG 3.47Å; P275-L277 PolarHBondContact O-N 3.4Å; P275-I278 PolarHBondContact O-N 3.48Å; P275-I278 VanDerWaalsContact O-N 3.1Å; P275-P290 HydrophobicContact CB-CB 3.53Å; P275-P290 HydrophobicContact CB-CG 4.27Å
276S96.1Very high94.1Very high80 Ų8030.7 Ų30.756%0.55918%0.176SC*.G310 helixtrans-65.2-20.8-178.356.90000114.6K220 P274K220-S276 PolarHBondContact NZ-O 3.38Å; P274-S276 PolarHBondContact O-N 3.26Å; P274-S276 VanDerWaalsContact O-N 3.15Å
277L96.9Very high94.7Very high14 Ų1430.2 Ų30.27%0.07318%0.178CC..G310 helixtrans-91.2-16.9177.5-56.5176.2000112.3Y213 A216 M217 K220 T273 P274 P275Y213-L277 HydrophobicContact CD2-CD1 3.96Å; Y213-L277 HydrophobicContact CE2-CD1 3.7Å; A216-L277 HydrophobicContact CB-CB 3.9Å; A216-L277 HydrophobicContact CB-CD1 3.87Å; M217-L277 HydrophobicContact CG-CD1 3.83Å; M217-L277 HydrophobicContact SD-CD1 3.54Å; M217-L277 VanDerWaalsContact SD-CD1 3.54Å; M217-L277 HydrophobicContact SD-CD2 3.76Å; M217-L277 HydrophobicContact SD-CG 4.27Å; K220-L277 HydrophobicContact CB-CD2 3.7Å; K220-L277 HydrophobicContact CG-CD2 3.86Å; T273-L277 HydrophobicContact CG2-CB 4.24Å; T273-L277 HydrophobicContact CG2-CD1 4.18Å; P274-L277 HydrophobicContact CG-CD1 3.82Å; P274-L277 HydrophobicContact CG-CG 4.12Å; P274-L277 PolarHBondContact O-N 3.14Å; P275-L277 PolarHBondContact O-N 3.4Å
278I97Very high95.2Very high12 Ų1226.1 Ų26.16%0.06216%0.16CC..  trans-88.8130.4-176.5-58169.2000109.2G204 I206 F226 V228 T273 P275 L281 P290G204-I278 WeakPolarHBondContact O-CD1 3.48Å; I206-I278 HydrophobicContact CB-CD1 4.43Å; I206-I278 HydrophobicContact CG1-CD1 4.09Å; I206-I278 HydrophobicContact CG2-CD1 3.75Å; F226-I278 HydrophobicContact CD1-CG1 4.3Å; F226-I278 HydrophobicContact CE1-CG1 4.46Å; V228-I278 HydrophobicContact CB-CG2 4.49Å; V228-I278 HydrophobicContact CG2-CD1 4.16Å; V228-I278 HydrophobicContact CG2-CG1 4.11Å; V228-I278 HydrophobicContact CG2-CG2 3.77Å; T273-I278 HydrophobicContact CG2-CG1 4.35Å; P275-I278 PolarHBondContact O-N 3.48Å; P275-I278 VanDerWaalsContact O-N 3.1Å; I278-L281 HydrophobicContact CG2-CD1 3.55Å; I278-L281 HydrophobicContact CG2-CG 4.03Å; I278-P290 HydrophobicContact CB-CG 4.16Å; I278-P290 HydrophobicContact CG2-CG 4.31Å
279T96.3Very high95.5Very high65 Ų6527 Ų2740%0.39916%0.164SC..  trans-85.1-53177.6-50.40000110.8P225 F226 Y227P225-T279 HydrophobicContact CB-CG2 4.38Å; F226-T279 PolarHBondContact N-OG1 3.01Å; F226-T279 WeakPolarHBondContact O-CB 3.25Å; F226-T279 PolarHBondContact O-N 3.27Å; F226-T279 PolarHBondContact O-OG1 3.07Å; Y227-T279 HydrophobicContact CE1-CG2 4.02Å
280L96.8Very high95.6Very high36 Ų3626.7 Ų26.719%0.18816%0.162CC..EExtended strand (participates in β ladder)trans-147.5147179.2-66.8172.9000110.4F118 Y227 V228 F282 V287 T289F118-L280 HydrophobicContact CD1-CD1 4.48Å; F118-L280 HydrophobicContact CE1-CD1 3.86Å; Y227-L280 HydrophobicContact CD1-CB 3.95Å; Y227-L280 HydrophobicContact CE1-CB 4.19Å; Y227-L280 HydrophobicContact CE1-CD1 3.99Å; Y227-L280 HydrophobicContact CE1-CG 4.26Å; V228-L280 PolarHBondContact N-O 3.42Å; L280-F282 HydrophobicContact CB-CE2 4.13Å; L280-F282 HydrophobicContact CB-CZ 4.43Å; L280-F282 HydrophobicContact CD1-CZ 4.38Å; L280-V287 HydrophobicContact CB-CG1 4.15Å; L280-V287 HydrophobicContact CD1-CG1 4Å; L280-V287 HydrophobicContact CD2-CG1 4.08Å; L280-V287 HydrophobicContact CG-CG1 4.3Å; L280-T289 HydrophobicContact CD2-CG2 4.36Å
281L97Very high95.5Very high0 Ų030.5 Ų30.50%019%0.19CC..EExtended strand (participates in β ladder)trans-108.4125.1170.8-67.789.9000109.8V200 I206 V228 I278 V287 L288 P290 V293V200-L281 HydrophobicContact CG1-CD2 3.72Å; V200-L281 HydrophobicContact CG2-CD2 4.37Å; I206-L281 HydrophobicContact CG2-CD2 4.17Å; V228-L281 HydrophobicContact CB-CG 4.13Å; V228-L281 HydrophobicContact CG1-CD2 4.46Å; V228-L281 CarbonylContact O-C 3.46Å; V228-L281 WeakPolarHBondContact O-CA 3.41Å; I278-L281 HydrophobicContact CG2-CD1 3.55Å; I278-L281 HydrophobicContact CG2-CG 4.03Å; L281-V287 WeakPolarHBondContact O-CA 3.42Å; L281-L288 HydrophobicContact CB-CB 4.39Å; L281-L288 PolarHBondContact N-O 2.69Å; L281-L288 PolarHBondContact O-N 2.84Å; L281-P290 HydrophobicContact CD1-CB 4.31Å; L281-P290 HydrophobicContact CD1-CG 3.87Å; L281-V293 HydrophobicContact CD1-CG2 4.24Å; L281-V293 HydrophobicContact CD2-CG2 3.97Å
282F97.1Very high95.4Very high0 Ų031.1 Ų31.10%020%0.197CC..EExtended strand (participates in β ladder)trans-98.3116.6176-67.3-85.2000109.8V111 C115 F118 Y227 V228 V229 A230 L280 V287V111-F282 HydrophobicContact CG1-CB 4.35Å; C115-F282 HydrophobicContact CB-CB 4.18Å; C115-F282 HydrophobicContact CB-CD1 3.86Å; C115-F282 HydrophobicContact CB-CD2 4.44Å; C115-F282 HydrophobicContact CB-CE1 4.4Å; C115-F282 HydrophobicContact CB-CG 3.89Å; F118-F282 HydrophobicContact CB-CZ 4.18Å; F118-F282 HydrophobicContact CD1-CE1 4.38Å; F118-F282 AromaticContact CD1-CZ 3.82Å; F118-F282 HydrophobicContact CD1-CZ 3.82Å; F118-F282 AromaticContact CD2-CE1 3.39Å; F118-F282 HydrophobicContact CD2-CE1 3.39Å; F118-F282 AromaticContact CD2-CZ 3.6Å; F118-F282 HydrophobicContact CD2-CZ 3.6Å; F118-F282 HydrophobicContact CE1-CE1 4.41Å; F118-F282 HydrophobicContact CE1-CZ 4.06Å; F118-F282 AromaticContact CE2-CE1 3.46Å; F118-F282 HydrophobicContact CE2-CE1 3.46Å; F118-F282 VanDerWaalsContact CE2-CE1 3.46Å; F118-F282 AromaticContact CE2-CZ 3.89Å; F118-F282 HydrophobicContact CE2-CZ 3.89Å; F118-F282 AromaticContact CG-CE1 3.9Å; F118-F282 HydrophobicContact CG-CE1 3.9Å; F118-F282 AromaticContact CG-CZ 3.58Å; F118-F282 HydrophobicContact CG-CZ 3.58Å; F118-F282 AromaticContact CZ-CE1 3.98Å; F118-F282 HydrophobicContact CZ-CE1 3.98Å; F118-F282 HydrophobicContact CZ-CZ 4.1Å; Y227-F282 AromaticContact CD1-CE2 3.93Å; Y227-F282 HydrophobicContact CD1-CE2 3.93Å; Y227-F282 HydrophobicContact CD2-CE2 4.2Å; Y227-F282 AromaticContact CG-CE2 3.72Å; Y227-F282 HydrophobicContact CG-CE2 3.72Å; V228-F282 PolarHBondContact O-N 2.89Å; V229-F282 HydrophobicContact CG2-CB 4.31Å; V229-F282 HydrophobicContact CG2-CD2 4.44Å; A230-F282 PolarHBondContact N-O 3.42Å; A230-F282 VanDerWaalsContact O-O 3.06Å; L280-F282 HydrophobicContact CB-CE2 4.13Å; L280-F282 HydrophobicContact CB-CZ 4.43Å; L280-F282 HydrophobicContact CD1-CZ 4.38Å; F282-V287 HydrophobicContact CD1-CG1 4.29Å; F282-V287 HydrophobicContact CD1-CG2 3.74Å; F282-V287 HydrophobicContact CE1-CB 4.39Å; F282-V287 HydrophobicContact CE1-CG1 3.9Å; F282-V287 HydrophobicContact CE1-CG2 3.61Å; F282-V287 HydrophobicContact CZ-CG1 4.25Å
283T95.8Very high95.2Very high0 Ų030.6 Ų30.60%019%0.194CC..EExtended strand (participates in β ladder)trans-132.9169.7-17872.20000111.2V111 L114 A230 F235 L285 G286 L288V111-T283 VanDerWaalsContact CG2-C 3.48Å; L114-T283 VanDerWaalsContact CD1-O 3.25Å; L114-T283 WeakPolarHBondContact CD1-O 3.13Å; A230-T283 VanDerWaalsContact O-CA 3.26Å; A230-T283 WeakPolarHBondContact O-CA 3.47Å; A230-T283 WeakPolarHBondContact O-CG2 3.42Å; F235-T283 HydrophobicContact CE1-CG2 3.94Å; F235-T283 HydrophobicContact CZ-CG2 3.87Å; T283-L285 PolarHBondContact O-N 3.15Å; T283-L285 PolarHBondContact OG1-N 2.91Å; T283-G286 PolarHBondContact N-O 2.74Å; T283-G286 PolarHBondContact O-N 2.83Å; T283-G286 VanDerWaalsContact O-N 3.14Å; T283-G286 PolarHBondContact OG1-N 2.73Å; T283-G286 PolarHBondContact OG1-O 3.47Å; T283-L288 HydrophobicContact CG2-CD1 4.13Å
284D93.7Very high94.8Very high15 Ų1532.9 Ų32.98%0.0821%0.21CC..THydrogen-bonded Turntrans-69.3-15.217254.1-66.4000112.7K110 V111 S232K110-D284 HydrophobicContact CB-CB 4.34Å; K110-D284 HydrophobicContact CD-CB 4.09Å; K110-D284 VanDerWaalsContact CD-O 3.3Å; K110-D284 WeakPolarHBondContact CD-O 3.37Å; K110-D284 WeakPolarHBondContact CE-O 3.3Å; K110-D284 PolarHBondContact NZ-O 3.31Å; V111-D284 HydrophobicContact CG2-CB 4.24Å; V111-D284 VanDerWaalsContact CG2-N 3.34Å; S232-D284 WeakPolarHBondContact CB-OD1 2.99Å; S232-D284 WeakPolarHBondContact CB-OD2 3.43Å; S232-D284 PolarHBondContact N-OD1 2.95Å; S232-D284 PolarHBondContact OG-OD1 3.36Å; S232-D284 VanDerWaalsContact OG-OD1 3.06Å; S232-D284 PolarHBondContact OG-OD2 2.89Å
285L92.8Very high94.5Very high69 Ų6936.1 Ų36.136%0.36123%0.226SC..THydrogen-bonded Turntrans-79-22.8170-55.7179.5000112T283 E296 L300T283-L285 PolarHBondContact O-N 3.15Å; T283-L285 PolarHBondContact OG1-N 2.91Å; L285-E296 HydrophobicContact CD1-CB 3.98Å; L285-E296 HydrophobicContact CD1-CG 4.27Å; L285-L300 HydrophobicContact CD1-CD1 4.12Å; L285-L300 HydrophobicContact CD1-CG 4.48Å
286G93.6Very high94.3Very high16 Ų1636.6 Ų36.617%0.16523%0.225CC..EExtended strand (participates in β ladder)trans139.3-163.7-178.400000112.3T283T283-G286 PolarHBondContact N-O 2.74Å; T283-G286 PolarHBondContact O-N 2.83Å; T283-G286 VanDerWaalsContact O-N 3.14Å; T283-G286 PolarHBondContact OG1-N 2.73Å; T283-G286 PolarHBondContact OG1-O 3.47Å
287V95.8Very high93.9Very high58 Ų5833 Ų3335%0.35220%0.2SC..EExtended strand (participates in β ladder)trans-91.1115172.5-171.90000107.9F118 L280 L281 F282F118-V287 HydrophobicContact CE2-CG2 4.21Å; F118-V287 HydrophobicContact CZ-CG1 4.48Å; F118-V287 HydrophobicContact CZ-CG2 4.38Å; L280-V287 HydrophobicContact CB-CG1 4.15Å; L280-V287 HydrophobicContact CD1-CG1 4Å; L280-V287 HydrophobicContact CD2-CG1 4.08Å; L280-V287 HydrophobicContact CG-CG1 4.3Å; L281-V287 WeakPolarHBondContact O-CA 3.42Å; F282-V287 HydrophobicContact CD1-CG1 4.29Å; F282-V287 HydrophobicContact CD1-CG2 3.74Å; F282-V287 HydrophobicContact CE1-CB 4.39Å; F282-V287 HydrophobicContact CE1-CG1 3.9Å; F282-V287 HydrophobicContact CE1-CG2 3.61Å; F282-V287 HydrophobicContact CZ-CG1 4.25Å
288L95.3Very high93.4Very high15 Ų1536.7 Ų36.78%0.07922%0.219CC..EExtended strand (participates in β ladder)trans-108.7141.4-175.4-56.7178.9000110.2F235 L281 T283 A292 V293 E296F235-L288 HydrophobicContact CE2-CD1 4.25Å; F235-L288 HydrophobicContact CZ-CD1 3.95Å; L281-L288 HydrophobicContact CB-CB 4.39Å; L281-L288 PolarHBondContact N-O 2.69Å; L281-L288 PolarHBondContact O-N 2.84Å; T283-L288 HydrophobicContact CG2-CD1 4.13Å; L288-A292 HydrophobicContact CB-CB 4.41Å; L288-A292 HydrophobicContact CD2-CB 4.31Å; L288-V293 HydrophobicContact CB-CG2 4.43Å; L288-V293 HydrophobicContact CD1-CG2 4.4Å; L288-E296 HydrophobicContact CD1-CG 4.24Å; L288-E296 HydrophobicContact CD2-CG 4.06Å
289T94.8Very high92.9Very high66 Ų6642 Ų4241%0.40524%0.242SC..  trans-79.2155.5158.557.30000108.9L280 S291 A292 V293L280-T289 HydrophobicContact CD2-CG2 4.36Å; T289-S291 PolarHBondContact O-N 3.4Å; T289-S291 VanDerWaalsContact O-N 3.12Å; T289-S291 PolarHBondContact OG1-OG 3.29Å; T289-S291 VanDerWaalsContact OG1-OG 3.1Å; T289-A292 WeakPolarHBondContact O-CB 3.45Å; T289-A292 PolarHBondContact O-N 3.43Å; T289-V293 PolarHBondContact O-N 3.44Å
290P91.7Very high92.3Very high20 Ų2041.5 Ų41.513%0.1324%0.236CC..Hα-helixtrans-53.7-35.2179.6-27.634.5000114G204 P275 I278 L281 A292 V293G204-P290 WeakPolarHBondContact CA-O 3.18Å; P275-P290 HydrophobicContact CB-CB 3.53Å; P275-P290 HydrophobicContact CB-CG 4.27Å; I278-P290 HydrophobicContact CB-CG 4.16Å; I278-P290 HydrophobicContact CG2-CG 4.31Å; L281-P290 HydrophobicContact CD1-CB 4.31Å; L281-P290 HydrophobicContact CD1-CG 3.87Å; P290-A292 PolarHBondContact O-N 2.94Å; P290-V293 WeakPolarHBondContact O-CB 3.35Å; P290-V293 PolarHBondContact O-N 3.21Å
291S91.7Very high91.4Very high89 Ų8940.6 Ų40.662%0.62223%0.23SC*.Hα-helixtrans-64.7-37175.859.40000113.4T289 V293 S294T289-S291 PolarHBondContact O-N 3.4Å; T289-S291 VanDerWaalsContact O-N 3.12Å; T289-S291 PolarHBondContact OG1-OG 3.29Å; T289-S291 VanDerWaalsContact OG1-OG 3.1Å; S291-V293 PolarHBondContact O-N 3.02Å; S291-S294 PolarHBondContact O-N 3.43Å
292A92.9Very high90Very high23 Ų2348 Ų4819%0.1927%0.269CS..Hα-helixtrans-71-19-17900000112.6L288 T289 P290 S294 D295 E296L288-A292 HydrophobicContact CB-CB 4.41Å; L288-A292 HydrophobicContact CD2-CB 4.31Å; T289-A292 WeakPolarHBondContact O-CB 3.45Å; T289-A292 PolarHBondContact O-N 3.43Å; P290-A292 PolarHBondContact O-N 2.94Å; A292-S294 VanDerWaalsContact C-N 3.28Å; A292-S294 PolarHBondContact O-N 3.31Å; A292-D295 PolarHBondContact O-N 3.16Å; A292-E296 WeakPolarHBondContact O-CG 3.42Å; A292-E296 PolarHBondContact O-N 3.27Å
293V91.9Very high89.6Confident0 Ų050.4 Ų50.40%028%0.282CS..Hα-helixtrans-59.8-41.3175.8176.10000110.8V200 F235 L281 L288 T289 P290 S291 E296 L297V200-V293 HydrophobicContact CG1-CG1 3.65Å; V200-V293 HydrophobicContact CG1-CG2 4.38Å; F235-V293 HydrophobicContact CD2-CG1 4.17Å; F235-V293 HydrophobicContact CE2-CG1 3.78Å; F235-V293 HydrophobicContact CZ-CG1 4.24Å; L281-V293 HydrophobicContact CD1-CG2 4.24Å; L281-V293 HydrophobicContact CD2-CG2 3.97Å; L288-V293 HydrophobicContact CB-CG2 4.43Å; L288-V293 HydrophobicContact CD1-CG2 4.4Å; T289-V293 PolarHBondContact O-N 3.44Å; P290-V293 WeakPolarHBondContact O-CB 3.35Å; P290-V293 PolarHBondContact O-N 3.21Å; S291-V293 PolarHBondContact O-N 3.02Å; V293-E296 PolarHBondContact O-N 2.81Å; V293-L297 WeakPolarHBondContact O-CB 3.48Å; V293-L297 PolarHBondContact O-N 2.93Å
294S90.4Very high89.3Confident48 Ų4853 Ų5334%0.33630%0.297SS..Hα-helixtrans-62.6-45.6-179.8-165.10000111.4E202 S291 A292 E296 L297 I298E202-S294 WeakPolarHBondContact O-CB 3.32Å; S291-S294 PolarHBondContact O-N 3.43Å; A292-S294 VanDerWaalsContact C-N 3.28Å; A292-S294 PolarHBondContact O-N 3.31Å; S294-E296 PolarHBondContact O-N 3.39Å; S294-L297 PolarHBondContact O-N 2.92Å; S294-I298 VanDerWaalsContact O-CG1 3.31Å; S294-I298 WeakPolarHBondContact O-CG1 3.2Å; S294-I298 PolarHBondContact O-N 2.81Å
295D90.6Very high89.1Confident98 Ų9855.1 Ų55.152%0.52431%0.309SS..Hα-helixtrans-62.5-44178.2-65.1-24.3000112A292 I298 K299A292-D295 PolarHBondContact O-N 3.16Å; D295-I298 PolarHBondContact O-N 3.26Å; D295-K299 WeakPolarHBondContact O-CG 3.49Å; D295-K299 PolarHBondContact O-N 2.81Å
296E91.3Very high88.8Confident45 Ų4554.3 Ų54.321%0.2131%0.306CS..Hα-helixtrans-68.9-36.4177.3-69.3-54.3128.200112F235 L285 L288 A292 V293 S294 K299 L300F235-E296 HydrophobicContact CE2-CB 4.49Å; L285-E296 HydrophobicContact CD1-CB 3.98Å; L285-E296 HydrophobicContact CD1-CG 4.27Å; L288-E296 HydrophobicContact CD1-CG 4.24Å; L288-E296 HydrophobicContact CD2-CG 4.06Å; A292-E296 WeakPolarHBondContact O-CG 3.42Å; A292-E296 PolarHBondContact O-N 3.27Å; V293-E296 PolarHBondContact O-N 2.81Å; S294-E296 PolarHBondContact O-N 3.39Å; E296-K299 PolarHBondContact O-N 3.27Å; E296-K299 IonicContact OE1-NZ 3.42Å; E296-K299 PolarHBondContact OE1-NZ 3.42Å; E296-L300 VanDerWaalsContact O-CG 3.31Å; E296-L300 WeakPolarHBondContact O-CG 3.36Å; E296-L300 PolarHBondContact O-N 3.19Å
297L88.5Confident88.5Confident5 Ų556.7 Ų56.73%0.02632%0.315CS..Hα-helixtrans-64.7-43.5176.3-163.4154.2000110.6E202 F235 R237 V293 S294 K299 L300 Y301E202-L297 HydrophobicContact CG-CD1 3.83Å; E202-L297 HydrophobicContact CG-CD2 4.11Å; F235-L297 HydrophobicContact CB-CD1 4.12Å; F235-L297 HydrophobicContact CB-CG 4.44Å; F235-L297 HydrophobicContact CD2-CB 4.3Å; F235-L297 HydrophobicContact CD2-CD1 4.45Å; R237-L297 HydrophobicContact CG-CD2 3.81Å; V293-L297 WeakPolarHBondContact O-CB 3.48Å; V293-L297 PolarHBondContact O-N 2.93Å; S294-L297 PolarHBondContact O-N 2.92Å; L297-K299 VanDerWaalsContact C-N 3.28Å; L297-K299 PolarHBondContact O-N 2.87Å; L297-L300 PolarHBondContact O-N 3.41Å; L297-L300 VanDerWaalsContact O-N 3.14Å; L297-Y301 HydrophobicContact CD2-CD2 3.44Å; L297-Y301 VanDerWaalsContact CD2-CD2 3.44Å; L297-Y301 HydrophobicContact CD2-CE2 3.73Å; L297-Y301 HydrophobicContact CD2-CG 4.3Å; L297-Y301 HydrophobicContact CG-CD2 3.85Å; L297-Y301 HydrophobicContact CG-CE2 3.89Å; L297-Y301 VanDerWaalsContact O-CD2 3.31Å; L297-Y301 WeakPolarHBondContact O-CD2 3.49Å; L297-Y301 PolarHBondContact O-N 3.03Å
298I86.9Confident88.1Confident91 Ų9156.6 Ų56.647%0.46731%0.312SS..Hα-helixtrans-56.3-45173.7-68.9164.8000110.2S294 D295 L300 Y301 L302S294-I298 VanDerWaalsContact O-CG1 3.31Å; S294-I298 WeakPolarHBondContact O-CG1 3.2Å; S294-I298 PolarHBondContact O-N 2.81Å; D295-I298 PolarHBondContact O-N 3.26Å; I298-L300 PolarHBondContact O-N 3.48Å; I298-Y301 PolarHBondContact O-N 3.12Å; I298-L302 HydrophobicContact CG2-CD1 3.55Å; I298-L302 HydrophobicContact CG2-CG 4.08Å; I298-L302 WeakPolarHBondContact O-CB 3.33Å; I298-L302 WeakPolarHBondContact O-CG 3.3Å; I298-L302 PolarHBondContact O-N 2.8Å
299K86.5Confident87.5Confident124 Ų12459.6 Ų59.654%0.53933%0.329SS..Hα-helixtrans-66-34177.3-66.4171.3-164.6167.30114D295 E296 L297 Y301D295-K299 WeakPolarHBondContact O-CG 3.49Å; D295-K299 PolarHBondContact O-N 2.81Å; E296-K299 PolarHBondContact O-N 3.27Å; E296-K299 IonicContact OE1-NZ 3.42Å; E296-K299 PolarHBondContact OE1-NZ 3.42Å; L297-K299 VanDerWaalsContact C-N 3.28Å; L297-K299 PolarHBondContact O-N 2.87Å; K299-Y301 VanDerWaalsContact C-N 3.31Å
300L82.6Confident87Confident53 Ų5359.1 Ų59.128%0.27732%0.323SS..Hα-helixtrans-71.7-27.8178.3-74.7173.5000112.5L71 F235 L285 E296 L297 I298L71-L300 HydrophobicContact CD2-CB 4.24Å; F235-L300 HydrophobicContact CB-CD1 4.33Å; F235-L300 HydrophobicContact CD2-CD1 3.88Å; F235-L300 HydrophobicContact CG-CD1 4.28Å; L285-L300 HydrophobicContact CD1-CD1 4.12Å; L285-L300 HydrophobicContact CD1-CG 4.48Å; E296-L300 VanDerWaalsContact O-CG 3.31Å; E296-L300 WeakPolarHBondContact O-CG 3.36Å; E296-L300 PolarHBondContact O-N 3.19Å; L297-L300 PolarHBondContact O-N 3.41Å; L297-L300 VanDerWaalsContact O-N 3.14Å; I298-L300 PolarHBondContact O-N 3.48Å
301Y78.1Confident86.6Confident18 Ų1862.3 Ų62.37%0.07134%0.339CS..Hα-helixtrans-104.5-6.7-175.6-79.9-89.6000114.6E70 L71 R74 F235 R237 L297 I298 K299E70-Y301 HydrophobicContact CG-CE1 3.96Å; L71-Y301 HydrophobicContact CD2-CD1 4.34Å; L71-Y301 HydrophobicContact CD2-CD2 3.96Å; L71-Y301 HydrophobicContact CD2-CE1 3.98Å; L71-Y301 HydrophobicContact CD2-CE2 3.58Å; L71-Y301 HydrophobicContact CD2-CG 4.35Å; L71-Y301 HydrophobicContact CG-CE1 4.43Å; L71-Y301 HydrophobicContact CG-CE2 4.27Å; R74-Y301 HydrophobicContact CG-CD1 4.47Å; F235-Y301 PolarHBondContact O-OH 2.96Å; F235-Y301 VanDerWaalsContact O-OH 3.1Å; R237-Y301 HydrophobicContact CG-CD1 4.1Å; R237-Y301 HydrophobicContact CG-CD2 4.18Å; R237-Y301 HydrophobicContact CG-CE1 3.83Å; R237-Y301 HydrophobicContact CG-CE2 3.92Å; R237-Y301 HydrophobicContact CG-CG 4.25Å; L297-Y301 HydrophobicContact CD2-CD2 3.44Å; L297-Y301 VanDerWaalsContact CD2-CD2 3.44Å; L297-Y301 HydrophobicContact CD2-CE2 3.73Å; L297-Y301 HydrophobicContact CD2-CG 4.3Å; L297-Y301 HydrophobicContact CG-CD2 3.85Å; L297-Y301 HydrophobicContact CG-CE2 3.89Å; L297-Y301 VanDerWaalsContact O-CD2 3.31Å; L297-Y301 WeakPolarHBondContact O-CD2 3.49Å; L297-Y301 PolarHBondContact O-N 3.03Å; I298-Y301 PolarHBondContact O-N 3.12Å; K299-Y301 VanDerWaalsContact C-N 3.31Å
302L67.9Low86.1Confident154 Ų15459.9 Ų59.981%0.80631%0.313SS*.  trans-78.50167.7-79.3169.8000110.9L78 I298L78-L302 WeakPolarHBondContact CD2-O 3.29Å; I298-L302 HydrophobicContact CG2-CD1 3.55Å; I298-L302 HydrophobicContact CG2-CG 4.08Å; I298-L302 WeakPolarHBondContact O-CB 3.33Å; I298-L302 WeakPolarHBondContact O-CG 3.3Å; I298-L302 PolarHBondContact O-N 2.8Å

Retrieved 302 of 302 residues in 721 ms (Link to these results)

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