A0A060XE16_ONCMY Loading...

Cyanocobalamin reductase / alkylcobalamin dealkylase

AlphaFold DB , UniProt , Accession A0A060XE16, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene mmachc, Length 257 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
1M52Low80Confident243 Ų24380.1 Ų80.1100%1.19746%0.456SS*.  01370-64.1-177.7-163.600107
2A67Low80.7Confident99 Ų9983.1 Ų83.182%0.81845%0.454SS*.PPolyproline II helixtrans-66.3141.9174.900000109.5
3L69.8Low81.6Confident91 Ų9186.2 Ų86.248%0.47646%0.461SS..PPolyproline II helixtrans-65.7141.8173.2-73.4168.8000109.1T5L3-T5 PolarHBondContact O-N 3.48Å
4P78.6Confident82.4Confident66 Ų6681.6 Ų81.643%0.42944%0.441SS..PPolyproline II helixtrans-57.1131.9169.6-21.533000110.2G101 V102P4-G101 WeakPolarHBondContact CD-O 3.16Å; P4-G101 WeakPolarHBondContact CG-O 3.4Å; P4-V102 HydrophobicContact CB-CG2 4.04Å
5T83.8Confident83Confident98 Ų9876.2 Ų76.260%0.60141%0.411SS*.  trans-109.9156.5178.661.10000111.1L3 G173 S174L3-T5 PolarHBondContact O-N 3.48Å; T5-G173 WeakPolarHBondContact CG2-O 3.39Å; T5-S174 WeakPolarHBondContact CA-OG 3.47Å
6V87.8Confident83.5Confident22 Ų2273.9 Ų73.913%0.13340%0.403CS..  trans-125.9153.3178.4-64.60000110.3V11 L51 F99 V102 F171 S174V6-V11 HydrophobicContact CB-CG2 4.04Å; V6-V11 HydrophobicContact CG2-CG2 3.5Å; V6-V11 VanDerWaalsContact CG2-CG2 3.5Å; V6-L51 HydrophobicContact CG2-CD2 4.35Å; V6-F99 HydrophobicContact CG1-CD1 3.85Å; V6-F99 HydrophobicContact CG1-CE1 4.36Å; V6-V102 HydrophobicContact CG1-CG1 4.25Å; V6-V102 HydrophobicContact CG1-CG2 3.75Å; V6-F171 HydrophobicContact CG2-CB 4.07Å; V6-F171 HydrophobicContact CG2-CD1 3.51Å; V6-F171 HydrophobicContact CG2-CE1 4.18Å; V6-F171 HydrophobicContact CG2-CG 3.93Å; V6-S174 PolarHBondContact N-OG 3.49Å
7N89Confident84Confident74 Ų7474.2 Ų74.240%0.39640%0.404SS..  trans-99.6168.3171.368.658.6000111.3E9 D10 V11N7-E9 VanDerWaalsContact C-N 3.33Å; N7-E9 PolarHBondContact O-N 3.01Å; N7-E9 PolarHBondContact OD1-N 2.82Å; N7-D10 VanDerWaalsContact CG-OD2 3.31Å; N7-D10 PolarHBondContact ND2-OD2 3.37Å; N7-D10 PolarHBondContact O-N 3.47Å; N7-D10 PolarHBondContact OD1-N 2.84Å; N7-D10 PolarHBondContact OD1-OD2 3.03Å; N7-V11 WeakPolarHBondContact O-CG2 3.14Å; N7-V11 PolarHBondContact O-N 3.43Å; N7-V11 VanDerWaalsContact O-N 3.12Å
8V88Confident84.6Confident19 Ų1974.2 Ų74.212%0.11540%0.4CS..Hα-helixtrans-57.3-43.1-177.7-177.30000112.6V11 R12 P28 L51 V176 E179 L180V8-V11 PolarHBondContact O-N 2.75Å; V8-R12 VanDerWaalsContact O-CB 3.27Å; V8-R12 WeakPolarHBondContact O-CB 3.45Å; V8-R12 PolarHBondContact O-N 2.74Å; V8-P28 HydrophobicContact CG1-CB 4.18Å; V8-P28 HydrophobicContact CG1-CG 4.26Å; V8-L51 HydrophobicContact CG2-CD1 4.25Å; V8-V176 HydrophobicContact CG2-CB 4.04Å; V8-V176 HydrophobicContact CG2-CG1 3.42Å; V8-V176 VanDerWaalsContact CG2-CG1 3.42Å; V8-E179 HydrophobicContact CG2-CG 4.17Å; V8-L180 HydrophobicContact CG1-CD1 4Å; V8-L180 HydrophobicContact CG2-CB 3.92Å; V8-L180 HydrophobicContact CG2-CD2 4.26Å; V8-L180 HydrophobicContact CG2-CG 4.46Å
9E88.4Confident85.2Confident86 Ų8670.3 Ų70.340%0.40238%0.38SS..Hα-helixtrans-71.8-38.3-173.3-174.756-152.100111.1N7 R12 K13N7-E9 VanDerWaalsContact C-N 3.33Å; N7-E9 PolarHBondContact O-N 3.01Å; N7-E9 PolarHBondContact OD1-N 2.82Å; E9-R12 PolarHBondContact O-N 2.73Å; E9-R12 IonicContact OE1-CZ 3.46Å; E9-R12 IonicContact OE1-NE 3.81Å; E9-R12 IonicContact OE1-NH2 2.68Å; E9-R12 PolarHBondContact OE1-NH2 3.33Å; E9-R12 IonicContact OE2-CZ 3.24Å; E9-R12 VanDerWaalsContact OE2-CZ 3.24Å; E9-R12 IonicContact OE2-NE 3.15Å; E9-R12 PolarHBondContact OE2-NE 2.92Å; E9-R12 IonicContact OE2-NH2 2.73Å; E9-R12 PolarHBondContact OE2-NH2 2.81Å; E9-K13 WeakPolarHBondContact O-CB 3.12Å; E9-K13 PolarHBondContact O-N 2.68Å
10D86.8Confident85.7Confident83 Ų8370.2 Ų70.244%0.44438%0.384SS..Hα-helixtrans-62.1-46.3173.2-68.4-25.9000110.8N7 A14N7-D10 VanDerWaalsContact CG-OD2 3.31Å; N7-D10 PolarHBondContact ND2-OD2 3.37Å; N7-D10 PolarHBondContact O-N 3.47Å; N7-D10 PolarHBondContact OD1-N 2.84Å; N7-D10 PolarHBondContact OD1-OD2 3.03Å; D10-A14 WeakPolarHBondContact O-CB 3.27Å; D10-A14 PolarHBondContact O-N 3.37Å
11V89Confident86.2Confident0 Ų073.9 Ų73.90%040%0.397CS..Hα-helixtrans-60.7-51.3176.9169.70000111.1V6 N7 V8 L15 L51 A53 F99 F171V6-V11 HydrophobicContact CB-CG2 4.04Å; V6-V11 HydrophobicContact CG2-CG2 3.5Å; V6-V11 VanDerWaalsContact CG2-CG2 3.5Å; N7-V11 WeakPolarHBondContact O-CG2 3.14Å; N7-V11 PolarHBondContact O-N 3.43Å; N7-V11 VanDerWaalsContact O-N 3.12Å; V8-V11 PolarHBondContact O-N 2.75Å; V11-L15 HydrophobicContact CG1-CD1 3.75Å; V11-L15 HydrophobicContact CG1-CG 4.42Å; V11-L15 VanDerWaalsContact O-CB 3.23Å; V11-L15 WeakPolarHBondContact O-CB 3.24Å; V11-L15 WeakPolarHBondContact O-CG 3.23Å; V11-L15 PolarHBondContact O-N 3.39Å; V11-L51 HydrophobicContact CB-CD2 4.17Å; V11-L51 HydrophobicContact CG2-CD2 3.67Å; V11-A53 HydrophobicContact CG1-CB 4.5Å; V11-F99 HydrophobicContact CB-CZ 4.44Å; V11-F99 HydrophobicContact CG2-CE1 4.13Å; V11-F99 HydrophobicContact CG2-CZ 4.16Å; V11-F171 HydrophobicContact CB-CE2 4.44Å; V11-F171 HydrophobicContact CB-CZ 4.23Å; V11-F171 HydrophobicContact CG1-CD2 4.47Å; V11-F171 HydrophobicContact CG1-CE1 4.39Å; V11-F171 HydrophobicContact CG1-CE2 3.56Å; V11-F171 HydrophobicContact CG1-CZ 3.51Å; V11-F171 HydrophobicContact CG2-CD1 4.05Å; V11-F171 HydrophobicContact CG2-CD2 4.29Å; V11-F171 HydrophobicContact CG2-CE1 3.67Å; V11-F171 HydrophobicContact CG2-CE2 3.96Å; V11-F171 HydrophobicContact CG2-CG 4.35Å; V11-F171 HydrophobicContact CG2-CZ 3.63Å
12R88.8Confident88.4Confident116 Ų11664.6 Ų64.644%0.43835%0.352SS..Hα-helixtrans-58.7-53.2-179.4-173.2179.472.494.8-4.1110.6V8 E9 S16 P28V8-R12 VanDerWaalsContact O-CB 3.27Å; V8-R12 WeakPolarHBondContact O-CB 3.45Å; V8-R12 PolarHBondContact O-N 2.74Å; E9-R12 PolarHBondContact O-N 2.73Å; E9-R12 IonicContact OE1-CZ 3.46Å; E9-R12 IonicContact OE1-NE 3.81Å; E9-R12 IonicContact OE1-NH2 2.68Å; E9-R12 PolarHBondContact OE1-NH2 3.33Å; E9-R12 IonicContact OE2-CZ 3.24Å; E9-R12 VanDerWaalsContact OE2-CZ 3.24Å; E9-R12 IonicContact OE2-NE 3.15Å; E9-R12 PolarHBondContact OE2-NE 2.92Å; E9-R12 IonicContact OE2-NH2 2.73Å; E9-R12 PolarHBondContact OE2-NH2 2.81Å; R12-S16 WeakPolarHBondContact O-CB 3.2Å; R12-S16 PolarHBondContact O-N 2.9Å; R12-S16 PolarHBondContact O-OG 3.42Å; R12-P28 HydrophobicContact CB-CG 4.32Å
13K91.4Very high89.8Confident124 Ų12460.1 Ų60.154%0.53932%0.315SS..Hα-helixtrans-65.4-48.8-176.7-175.6178.3178.6-176.40111.8E9 N17E9-K13 WeakPolarHBondContact O-CB 3.12Å; E9-K13 PolarHBondContact O-N 2.68Å; K13-N17 WeakPolarHBondContact O-CB 3.44Å; K13-N17 PolarHBondContact O-N 2.85Å; K13-N17 PolarHBondContact O-ND2 2.76Å; K13-N17 VanDerWaalsContact O-ND2 3.12Å
14A92.7Very high91.2Very high22 Ų2256 Ų5618%0.18229%0.293CS..Hα-helixtrans-65.8-47.9-176.400000111.4D10 N17 H18 C98 F99D10-A14 WeakPolarHBondContact O-CB 3.27Å; D10-A14 PolarHBondContact O-N 3.37Å; A14-N17 PolarHBondContact O-N 2.99Å; A14-H18 PolarHBondContact O-N 2.78Å; A14-H18 PolarHBondContact O-ND1 3.04Å; A14-C98 HydrophobicContact CB-CB 3.99Å; A14-F99 HydrophobicContact CB-CE1 4.11Å; A14-F99 HydrophobicContact CB-CZ 3.81Å
15L92.7Very high92.1Very high0 Ų054.6 Ų54.60%028%0.281CS..Hα-helixtrans-66.1-47.9178.4-70-179.4000111.7V11 N17 H18 L19 V26 T94 V95 F99 L169 F171V11-L15 HydrophobicContact CG1-CD1 3.75Å; V11-L15 HydrophobicContact CG1-CG 4.42Å; V11-L15 VanDerWaalsContact O-CB 3.23Å; V11-L15 WeakPolarHBondContact O-CB 3.24Å; V11-L15 WeakPolarHBondContact O-CG 3.23Å; V11-L15 PolarHBondContact O-N 3.39Å; L15-N17 VanDerWaalsContact C-N 3.32Å; L15-N17 PolarHBondContact O-N 2.86Å; L15-H18 PolarHBondContact O-N 3.4Å; L15-L19 HydrophobicContact CB-CD1 4.38Å; L15-L19 HydrophobicContact CD2-CD1 4.1Å; L15-L19 VanDerWaalsContact O-CB 3.24Å; L15-L19 WeakPolarHBondContact O-CB 3.24Å; L15-L19 PolarHBondContact O-N 3.12Å; L15-V26 HydrophobicContact CB-CB 4.43Å; L15-V26 HydrophobicContact CB-CG1 4.18Å; L15-V26 HydrophobicContact CB-CG2 4.1Å; L15-V26 HydrophobicContact CD1-CG1 3.78Å; L15-T94 HydrophobicContact CD2-CG2 4.02Å; L15-V95 HydrophobicContact CD2-CG2 4.42Å; L15-F99 HydrophobicContact CD1-CE2 4.5Å; L15-F99 HydrophobicContact CD2-CE2 3.71Å; L15-F99 HydrophobicContact CD2-CZ 4.39Å; L15-F99 HydrophobicContact CG-CE2 3.85Å; L15-F99 HydrophobicContact CG-CZ 4.07Å; L15-L169 HydrophobicContact CD1-CD1 3.61Å; L15-L169 HydrophobicContact CD2-CD1 4.45Å; L15-F171 HydrophobicContact CD1-CZ 4.17Å
16S90.3Very high92.8Very high39 Ų3950.5 Ų50.527%0.27326%0.256SS..Hα-helixtrans-59.2-42.2178.9-66.10000111.8R12 H18 S20R12-S16 WeakPolarHBondContact O-CB 3.2Å; R12-S16 PolarHBondContact O-N 2.9Å; R12-S16 PolarHBondContact O-OG 3.42Å; S16-H18 PolarHBondContact O-N 2.99Å; S16-H18 VanDerWaalsContact O-N 3.17Å; S16-S20 WeakPolarHBondContact O-CB 3.5Å; S16-S20 PolarHBondContact O-N 2.92Å; S16-S20 PolarHBondContact O-OG 3.11Å
17N91.8Very high93.2Very high79 Ų7952.3 Ų52.342%0.42226%0.261SS..Hα-helixtrans-62.7-24.4-178.5-76.2-18.1000114.8K13 A14 L15 K21K13-N17 WeakPolarHBondContact O-CB 3.44Å; K13-N17 PolarHBondContact O-N 2.85Å; K13-N17 PolarHBondContact O-ND2 2.76Å; K13-N17 VanDerWaalsContact O-ND2 3.12Å; A14-N17 PolarHBondContact O-N 2.99Å; L15-N17 VanDerWaalsContact C-N 3.32Å; L15-N17 PolarHBondContact O-N 2.86Å; N17-K21 WeakPolarHBondContact O-CD 3.42Å; N17-K21 WeakPolarHBondContact O-CE 3.42Å; N17-K21 PolarHBondContact O-NZ 2.87Å; N17-K21 VanDerWaalsContact O-NZ 3.11Å
18H94.6Very high93.6Very high74 Ų7449.8 Ų49.834%0.34325%0.248SC..Hα-helixtrans-102.7-52.9-179.3-66.185.2000110.7A14 L15 S16 S20 K21 T94 C98A14-H18 PolarHBondContact O-N 2.78Å; A14-H18 PolarHBondContact O-ND1 3.04Å; L15-H18 PolarHBondContact O-N 3.4Å; S16-H18 PolarHBondContact O-N 2.99Å; S16-H18 VanDerWaalsContact O-N 3.17Å; H18-S20 PolarHBondContact O-N 2.94Å; H18-K21 PolarHBondContact O-N 3.5Å; H18-T94 HydrophobicContact CB-CG2 3.48Å; H18-T94 VanDerWaalsContact CB-CG2 3.48Å; H18-C98 PolarHBondContact ND1-SG 2.83Å; H18-C98 VanDerWaalsContact ND1-SG 3.41Å
19L96.3Very high94.1Very high1 Ų148.9 Ų48.91%0.00524%0.243CC..Hα-helixtrans-70.6-30.4-174.9-70.1-176.7000113L15 K21 L22 G23 F24 V26 V55 T94L15-L19 HydrophobicContact CB-CD1 4.38Å; L15-L19 HydrophobicContact CD2-CD1 4.1Å; L15-L19 VanDerWaalsContact O-CB 3.24Å; L15-L19 WeakPolarHBondContact O-CB 3.24Å; L15-L19 PolarHBondContact O-N 3.12Å; L19-K21 VanDerWaalsContact C-N 3.28Å; L19-K21 PolarHBondContact O-N 3.49Å; L19-L22 CarbonylContact O-C 3.44Å; L19-L22 PolarHBondContact O-N 3.12Å; L19-L22 VanDerWaalsContact O-N 3.08Å; L19-G23 PolarHBondContact O-N 2.81Å; L19-F24 HydrophobicContact CB-CB 3.92Å; L19-F24 HydrophobicContact CD2-CD2 4.24Å; L19-F24 WeakPolarHBondContact O-CB 3.22Å; L19-F24 PolarHBondContact O-N 3.24Å; L19-V26 HydrophobicContact CB-CG2 4.31Å; L19-V26 HydrophobicContact CD1-CG2 3.72Å; L19-V55 HydrophobicContact CD1-CG1 4.29Å; L19-V55 HydrophobicContact CD1-CG2 4.49Å; L19-T94 HydrophobicContact CD2-CG2 4.19Å; L19-T94 WeakPolarHBondContact CD2-OG1 3.27Å; L19-T94 HydrophobicContact CG-CG2 4Å
20S95.2Very high94.6Very high68 Ų6845.9 Ų45.948%0.47623%0.228SC..G310 helixtrans-67.4-29.6178.380.80000113.2S16 H18 L22 G23 F24S16-S20 WeakPolarHBondContact O-CB 3.5Å; S16-S20 PolarHBondContact O-N 2.92Å; S16-S20 PolarHBondContact O-OG 3.11Å; H18-S20 PolarHBondContact O-N 2.94Å; S20-L22 PolarHBondContact O-N 2.98Å; S20-G23 PolarHBondContact O-N 3.21Å; S20-F24 VanDerWaalsContact CA-O 3.29Å; S20-F24 WeakPolarHBondContact CA-O 3.23Å
21K96.3Very high95.1Very high147 Ų14741.9 Ų41.964%0.63921%0.207SC*.G310 helixtrans-70-18.2175.6-62.7173.5-177.9158.20112.5N17 H18 L19 Q64N17-K21 WeakPolarHBondContact O-CD 3.42Å; N17-K21 WeakPolarHBondContact O-CE 3.42Å; N17-K21 PolarHBondContact O-NZ 2.87Å; N17-K21 VanDerWaalsContact O-NZ 3.11Å; H18-K21 PolarHBondContact O-N 3.5Å; L19-K21 VanDerWaalsContact C-N 3.28Å; L19-K21 PolarHBondContact O-N 3.49Å; K21-Q64 PolarHBondContact O-OE1 3.09Å
22L97.3Very high95.5Very high49 Ų4942.4 Ų42.426%0.25721%0.212SC..G310 helixtrans-103.513.3178.2-61.3178.4000111.2L19 S20 F24 M61 A65 C90L19-L22 CarbonylContact O-C 3.44Å; L19-L22 PolarHBondContact O-N 3.12Å; L19-L22 VanDerWaalsContact O-N 3.08Å; S20-L22 PolarHBondContact O-N 2.98Å; L22-F24 HydrophobicContact CB-CD2 3.76Å; L22-F24 HydrophobicContact CB-CE2 3.89Å; L22-F24 VanDerWaalsContact O-CD2 3.32Å; L22-F24 WeakPolarHBondContact O-CD2 3.37Å; L22-F24 WeakPolarHBondContact O-CE2 3.45Å; L22-M61 VanDerWaalsContact O-CA 3.31Å; L22-M61 WeakPolarHBondContact O-CA 3.12Å; L22-A65 HydrophobicContact CB-CB 4.05Å; L22-A65 HydrophobicContact CD2-CB 4.36Å; L22-C90 HydrophobicContact CD1-CB 4.1Å
23G97.9Very high96Very high4 Ų438.8 Ų38.84%0.04120%0.199CC..THydrogen-bonded Turntrans74.424.5177.700000115.1L19 S20 T58L19-G23 PolarHBondContact O-N 2.81Å; S20-G23 PolarHBondContact O-N 3.21Å; G23-T58 WeakPolarHBondContact O-CB 3.4Å; G23-T58 WeakPolarHBondContact O-CG2 3.49Å; G23-T58 PolarHBondContact O-N 3.41Å; G23-T58 PolarHBondContact O-OG1 2.92Å
24F98.5Very high96.3Very high4 Ų432.9 Ų32.92%0.01817%0.173CC..EExtended strand (participates in β ladder)trans-106.5154.9173.4-61.2-90.4000112.3L19 S20 L22 V55 L56 M61 A65 V87 C90 R166L19-F24 HydrophobicContact CB-CB 3.92Å; L19-F24 HydrophobicContact CD2-CD2 4.24Å; L19-F24 WeakPolarHBondContact O-CB 3.22Å; L19-F24 PolarHBondContact O-N 3.24Å; S20-F24 VanDerWaalsContact CA-O 3.29Å; S20-F24 WeakPolarHBondContact CA-O 3.23Å; L22-F24 HydrophobicContact CB-CD2 3.76Å; L22-F24 HydrophobicContact CB-CE2 3.89Å; L22-F24 VanDerWaalsContact O-CD2 3.32Å; L22-F24 WeakPolarHBondContact O-CD2 3.37Å; L22-F24 WeakPolarHBondContact O-CE2 3.45Å; F24-V55 HydrophobicContact CB-CG1 4.11Å; F24-V55 HydrophobicContact CD1-CG1 3.85Å; F24-V55 HydrophobicContact CG-CG1 4.28Å; F24-L56 CarbonylContact C-O 3.59Å; F24-L56 WeakPolarHBondContact CA-O 3.28Å; F24-L56 WeakPolarHBondContact CB-O 3.18Å; F24-L56 WeakPolarHBondContact CD1-O 3.45Å; F24-M61 HydrophobicContact CD1-CG 4.34Å; F24-M61 HydrophobicContact CD2-CG 4.26Å; F24-M61 HydrophobicContact CE1-CG 3.77Å; F24-M61 HydrophobicContact CE2-CG 3.68Å; F24-M61 HydrophobicContact CZ-CG 3.4Å; F24-M61 HydrophobicContact CZ-SD 4.19Å; F24-A65 HydrophobicContact CE2-CB 4.25Å; F24-V87 HydrophobicContact CE1-CG1 4.49Å; F24-V87 HydrophobicContact CE1-CG2 4.17Å; F24-V87 HydrophobicContact CZ-CG2 4.21Å; F24-C90 HydrophobicContact CE2-CB 4Å; F24-C90 HydrophobicContact CZ-CB 4.29Å; F24-R166 HydrophobicContact CE1-CG 4.28Å
25E98.1Very high96.6Very high37 Ų3732.3 Ų32.317%0.17317%0.167CC..EExtended strand (participates in β ladder)trans-119.4149.3169.5-64.9-178.6174.800109.8Y27 V55 L56 T58 H156E25-Y27 HydrophobicContact CB-CD2 4.41Å; E25-Y27 HydrophobicContact CB-CE2 3.56Å; E25-Y27 WeakPolarHBondContact OE2-CE2 3.22Å; E25-Y27 PolarHBondContact OE2-OH 3.33Å; E25-V55 WeakPolarHBondContact O-CA 3.47Å; E25-L56 PolarHBondContact N-O 3.29Å; E25-L56 PolarHBondContact O-N 3.26Å; E25-T58 HydrophobicContact CG-CG2 3.76Å; E25-H156 IonicContact OE1-NE2 3.7Å; E25-H156 IonicContact OE2-CD2 2.76Å; E25-H156 IonicContact OE2-CE1 3.99Å; E25-H156 IonicContact OE2-NE2 3.47Å; E25-H156 PolarHBondContact OE2-NE2 2.74Å; E25-H156 VanDerWaalsContact OE2-NE2 3.08Å
26V97.6Very high96.9Very high13 Ų1337.9 Ų37.98%0.07920%0.201CC..EExtended strand (participates in β ladder)trans-132.2131-174.9-1770000110L15 L19 A53 V54 V55L15-V26 HydrophobicContact CB-CB 4.43Å; L15-V26 HydrophobicContact CB-CG1 4.18Å; L15-V26 HydrophobicContact CB-CG2 4.1Å; L15-V26 HydrophobicContact CD1-CG1 3.78Å; L19-V26 HydrophobicContact CB-CG2 4.31Å; L19-V26 HydrophobicContact CD1-CG2 3.72Å; V26-A53 HydrophobicContact CG1-CB 3.89Å; V26-V54 WeakPolarHBondContact CA-O 3.37Å; V26-V55 HydrophobicContact CG2-CG1 4.41Å; V26-V55 HydrophobicContact CG2-CG2 4.22Å
27Y97.3Very high97.2Very high60 Ų6039.8 Ų39.824%0.23521%0.211CC..EExtended strand (participates in β ladder)trans-129112.6-176.8-62.5-93.9000110E25 A53 V54 L56 A131E25-Y27 HydrophobicContact CB-CD2 4.41Å; E25-Y27 HydrophobicContact CB-CE2 3.56Å; E25-Y27 WeakPolarHBondContact OE2-CE2 3.22Å; E25-Y27 PolarHBondContact OE2-OH 3.33Å; Y27-A53 WeakPolarHBondContact O-CA 3.47Å; Y27-V54 PolarHBondContact N-O 2.86Å; Y27-V54 PolarHBondContact O-N 3.39Å; Y27-L56 HydrophobicContact CD2-CD1 4.31Å; Y27-L56 HydrophobicContact CE2-CD2 4.38Å; Y27-A131 HydrophobicContact CD1-CB 3.75Å; Y27-A131 HydrophobicContact CD2-CB 3.42Å; Y27-A131 VanDerWaalsContact CD2-CB 3.42Å; Y27-A131 HydrophobicContact CE1-CB 3.97Å; Y27-A131 HydrophobicContact CE2-CB 3.66Å; Y27-A131 HydrophobicContact CG-CB 3.47Å; Y27-A131 VanDerWaalsContact CG-CB 3.47Å
28P97.3Very high97.5Very high20 Ų2037 Ų3713%0.1320%0.196CC..EExtended strand (participates in β ladder)trans-64.5148.7175.1-21.633.4000112.5V8 R12 L51 G52 L180V8-P28 HydrophobicContact CG1-CB 4.18Å; V8-P28 HydrophobicContact CG1-CG 4.26Å; R12-P28 HydrophobicContact CB-CG 4.32Å; P28-L51 HydrophobicContact CB-CD1 4.31Å; P28-G52 CarbonylContact C-O 3.53Å; P28-G52 WeakPolarHBondContact CA-O 3.09Å; P28-L180 HydrophobicContact CB-CD1 4.21Å; P28-L180 HydrophobicContact CB-CD2 4.27Å
29L97.7Very high97.5Very high0 Ų036.7 Ų36.70%020%0.2CC..EExtended strand (participates in β ladder)trans-148.6165.5171.466.6142.5000111W33 G52 V54 V128 A129 M168L29-W33 HydrophobicContact CB-CE3 3.89Å; L29-W33 HydrophobicContact CB-CZ3 4.27Å; L29-G52 PolarHBondContact N-O 2.83Å; L29-G52 PolarHBondContact O-N 3.36Å; L29-G52 VanDerWaalsContact O-O 3.09Å; L29-V54 HydrophobicContact CD2-CB 4.21Å; L29-V54 HydrophobicContact CD2-CG1 4.38Å; L29-V128 HydrophobicContact CD1-CG2 3.96Å; L29-A129 HydrophobicContact CB-CB 4.03Å; L29-A129 HydrophobicContact CD2-CB 4.07Å; L29-M168 HydrophobicContact CD1-CE 3.91Å; L29-M168 HydrophobicContact CD2-CE 3.97Å; L29-M168 HydrophobicContact CD2-SD 3.97Å
30K98.3Very high97.5Very high23 Ų2341.8 Ų41.810%0.123%0.233CC..EExtended strand (participates in β ladder)trans-90.5141.5162.6-62.7-168.9177.2-160.50110.5G32 W33 D49 V176 G177 L180K30-G32 PolarHBondContact O-N 3.38Å; K30-W33 HydrophobicContact CB-CD2 3.75Å; K30-W33 HydrophobicContact CB-CE3 4.3Å; K30-W33 HydrophobicContact CB-CG 3.92Å; K30-W33 HydrophobicContact CB-CZ2 4.31Å; K30-W33 HydrophobicContact CD-CZ2 3.87Å; K30-W33 HydrophobicContact CG-CD2 4.12Å; K30-W33 HydrophobicContact CG-CH2 4.26Å; K30-W33 HydrophobicContact CG-CZ2 3.76Å; K30-W33 WeakPolarHBondContact O-CB 3.19Å; K30-W33 PolarHBondContact O-N 3.26Å; K30-D49 IonicContact NZ-OD1 3.24Å; K30-D49 PolarHBondContact NZ-OD1 2.86Å; K30-V176 HydrophobicContact CD-CG2 4.37Å; K30-V176 VanDerWaalsContact CE-O 3.23Å; K30-V176 WeakPolarHBondContact CE-O 3.36Å; K30-V176 HydrophobicContact CG-CG2 3.88Å; K30-V176 PolarHBondContact NZ-O 2.95Å; K30-G177 VanDerWaalsContact CE-O 3.24Å; K30-G177 WeakPolarHBondContact CE-O 3.42Å; K30-G177 PolarHBondContact NZ-O 3.29Å; K30-L180 HydrophobicContact CG-CD2 4.04Å
31I98.3Very high97.4Very high0 Ų042.3 Ų42.30%024%0.237CC..Hα-helixtrans-60.2-34.1176.5-60.9-55.9000111.7W33 Y34 N35 L44 D48 T50 V170I31-W33 VanDerWaalsContact C-N 3.26Å; I31-W33 PolarHBondContact O-N 2.89Å; I31-Y34 WeakPolarHBondContact O-CB 3.06Å; I31-Y34 PolarHBondContact O-N 3.09Å; I31-Y34 VanDerWaalsContact O-N 3.07Å; I31-N35 PolarHBondContact O-N 3.41Å; I31-L44 HydrophobicContact CD1-CD1 4.11Å; I31-L44 HydrophobicContact CG2-CB 3.95Å; I31-L44 HydrophobicContact CG2-CD1 4.45Å; I31-D48 PolarHBondContact N-O 2.9Å; I31-T50 HydrophobicContact CG1-CG2 4.16Å; I31-T50 PolarHBondContact N-O 3.16Å; I31-T50 VanDerWaalsContact N-O 3.09Å; I31-V170 HydrophobicContact CD1-CG1 4.22Å; I31-V170 HydrophobicContact CD1-CG2 3.95Å; I31-V170 HydrophobicContact CG1-CG1 4.29Å
32G98.1Very high97.4Very high11 Ų1137.2 Ų37.211%0.11322%0.217CC..Hα-helixtrans-58.3-35.517500000113.4K30 Y34 N35 V36 D48K30-G32 PolarHBondContact O-N 3.38Å; G32-Y34 VanDerWaalsContact C-N 3.33Å; G32-Y34 PolarHBondContact O-N 2.87Å; G32-N35 PolarHBondContact O-N 2.95Å; G32-V36 WeakPolarHBondContact O-CB 3.09Å; G32-V36 WeakPolarHBondContact O-CG1 3.35Å; G32-V36 PolarHBondContact O-N 3.01Å; G32-D48 PolarHBondContact N-O 3.44Å
33W98.4Very high97.4Very high39 Ų3938.4 Ų38.415%0.14822%0.221CC..Hα-helixtrans-66.8-35.1176.4-57-17.5000112.4L29 K30 I31 V36 V128 L180 Q181 Q182L29-W33 HydrophobicContact CB-CE3 3.89Å; L29-W33 HydrophobicContact CB-CZ3 4.27Å; K30-W33 HydrophobicContact CB-CD2 3.75Å; K30-W33 HydrophobicContact CB-CE3 4.3Å; K30-W33 HydrophobicContact CB-CG 3.92Å; K30-W33 HydrophobicContact CB-CZ2 4.31Å; K30-W33 HydrophobicContact CD-CZ2 3.87Å; K30-W33 HydrophobicContact CG-CD2 4.12Å; K30-W33 HydrophobicContact CG-CH2 4.26Å; K30-W33 HydrophobicContact CG-CZ2 3.76Å; K30-W33 WeakPolarHBondContact O-CB 3.19Å; K30-W33 PolarHBondContact O-N 3.26Å; I31-W33 VanDerWaalsContact C-N 3.26Å; I31-W33 PolarHBondContact O-N 2.89Å; W33-V36 WeakPolarHBondContact O-CG1 3.43Å; W33-V128 HydrophobicContact CB-CB 4.19Å; W33-V128 HydrophobicContact CB-CG2 4.27Å; W33-V128 WeakPolarHBondContact O-CG1 3.5Å; W33-L180 HydrophobicContact CH2-CD1 4.15Å; W33-L180 HydrophobicContact CH2-CD2 4.2Å; W33-L180 HydrophobicContact CH2-CG 3.58Å; W33-L180 HydrophobicContact CZ2-CG 4.32Å; W33-L180 WeakPolarHBondContact CZ2-O 3.42Å; W33-L180 HydrophobicContact CZ3-CD2 4.42Å; W33-L180 HydrophobicContact CZ3-CG 4.18Å; W33-Q181 VanDerWaalsContact CH2-C 3.42Å; W33-Q182 HydrophobicContact CD2-CB 3.96Å; W33-Q182 HydrophobicContact CD2-CG 3.87Å; W33-Q182 HydrophobicContact CE3-CB 4.05Å; W33-Q182 HydrophobicContact CE3-CG 3.75Å; W33-Q182 HydrophobicContact CG-CG 4.44Å; W33-Q182 HydrophobicContact CH2-CB 3.65Å; W33-Q182 HydrophobicContact CH2-CG 4.22Å; W33-Q182 HydrophobicContact CZ2-CB 3.58Å; W33-Q182 HydrophobicContact CZ2-CG 4.36Å; W33-Q182 HydrophobicContact CZ3-CB 3.9Å; W33-Q182 HydrophobicContact CZ3-CG 3.93Å
34Y98.6Very high97.3Very high1 Ų139.2 Ų39.20%0.00422%0.224CC..Hα-helixtrans-72.5-44.2174.3169.1-88000111.3I31 G32 V37 L38 L42 L44 F120 L121 A125I31-Y34 WeakPolarHBondContact O-CB 3.06Å; I31-Y34 PolarHBondContact O-N 3.09Å; I31-Y34 VanDerWaalsContact O-N 3.07Å; G32-Y34 VanDerWaalsContact C-N 3.33Å; G32-Y34 PolarHBondContact O-N 2.87Å; Y34-V37 WeakPolarHBondContact O-CG2 3.33Å; Y34-L38 HydrophobicContact CD1-CD1 4.07Å; Y34-L38 HydrophobicContact CD2-CD1 4.12Å; Y34-L38 HydrophobicContact CE1-CD1 3.41Å; Y34-L38 VanDerWaalsContact CE1-CD1 3.41Å; Y34-L38 HydrophobicContact CE2-CD1 3.53Å; Y34-L38 HydrophobicContact CG-CD1 4.38Å; Y34-L38 WeakPolarHBondContact O-CG 3.38Å; Y34-L38 VanDerWaalsContact OH-CD1 3.24Å; Y34-L38 WeakPolarHBondContact OH-CD1 3.34Å; Y34-L42 PolarHBondContact OH-O 2.88Å; Y34-L44 HydrophobicContact CD1-CD1 3.87Å; Y34-L44 HydrophobicContact CD1-CG 3.91Å; Y34-L44 HydrophobicContact CE1-CD1 3.87Å; Y34-L44 HydrophobicContact CE1-CD2 4.36Å; Y34-L44 HydrophobicContact CE1-CG 3.58Å; Y34-F120 WeakPolarHBondContact OH-CA 3.43Å; Y34-L121 HydrophobicContact CE2-CB 4.35Å; Y34-L121 PolarHBondContact OH-N 3.29Å; Y34-A125 HydrophobicContact CD2-CB 3.88Å; Y34-A125 HydrophobicContact CE2-CB 4.13Å
35N98.4Very high97.2Very high10 Ų1044.9 Ų44.95%0.05326%0.264CS..Hα-helixtrans-65.6-40.5-178.1-75.7-12.2000112I31 G32 V37 L38 H43 L44I31-N35 PolarHBondContact O-N 3.41Å; G32-N35 PolarHBondContact O-N 2.95Å; N35-V37 PolarHBondContact O-N 3.24Å; N35-L38 PolarHBondContact O-N 2.96Å; N35-L38 VanDerWaalsContact O-O 3.09Å; N35-H43 HydrophobicContact CB-CB 4.49Å; N35-H43 PolarHBondContact O-CD2 3.34Å; N35-H43 PolarHBondContact O-NE2 3.12Å; N35-H43 VanDerWaalsContact OD1-CA 3.26Å; N35-H43 WeakPolarHBondContact OD1-CA 3.24Å; N35-L44 PolarHBondContact ND2-O 3.39Å; N35-L44 PolarHBondContact OD1-N 2.81Å
36V97.9Very high97.2Very high116 Ų11646 Ų4670%0.70327%0.267SS*.Hα-helixtrans-64.1-26.9-175.573.70000113.7G32 W33 L38G32-V36 WeakPolarHBondContact O-CB 3.09Å; G32-V36 WeakPolarHBondContact O-CG1 3.35Å; G32-V36 PolarHBondContact O-N 3.01Å; W33-V36 WeakPolarHBondContact O-CG1 3.43Å; V36-L38 VanDerWaalsContact C-N 3.31Å
37V97.4Very high97.2Very high80 Ų8048.9 Ų48.949%0.48529%0.286SS..THydrogen-bonded Turntrans-88.42.6178.5-55.60000113.4Y34 N35 V128Y34-V37 WeakPolarHBondContact O-CG2 3.33Å; N35-V37 PolarHBondContact O-N 3.24Å; V37-V128 HydrophobicContact CB-CG1 4.46Å; V37-V128 HydrophobicContact CG1-CG1 3.89Å; V37-V128 HydrophobicContact CG2-CG1 3.71Å
38L97.1Very high97.2Very high20 Ų2051 Ų5111%0.10530%0.301CS..SBendtrans-127155.2-173.7-66-175.7000113.1Y34 N35 V36 L42 H43 L121Y34-L38 HydrophobicContact CD1-CD1 4.07Å; Y34-L38 HydrophobicContact CD2-CD1 4.12Å; Y34-L38 HydrophobicContact CE1-CD1 3.41Å; Y34-L38 VanDerWaalsContact CE1-CD1 3.41Å; Y34-L38 HydrophobicContact CE2-CD1 3.53Å; Y34-L38 HydrophobicContact CG-CD1 4.38Å; Y34-L38 WeakPolarHBondContact O-CG 3.38Å; Y34-L38 VanDerWaalsContact OH-CD1 3.24Å; Y34-L38 WeakPolarHBondContact OH-CD1 3.34Å; N35-L38 PolarHBondContact O-N 2.96Å; N35-L38 VanDerWaalsContact O-O 3.09Å; V36-L38 VanDerWaalsContact C-N 3.31Å; L38-L42 HydrophobicContact CB-CB 4.4Å; L38-L42 HydrophobicContact CD1-CB 4.29Å; L38-H43 PolarHBondContact O-NE2 3.36Å; L38-L121 HydrophobicContact CD1-CB 4.4Å; L38-L121 HydrophobicContact CD1-CD1 4.41Å; L38-L121 HydrophobicContact CD1-CG 4.47Å; L38-L121 HydrophobicContact CD2-CD1 3.74Å
39P96.1Very high97.2Very high68 Ų6853.4 Ų53.444%0.44231%0.313SS..  trans-67.7151.2171.429.4-35.4000111.1S41 L42 H43P39-S41 PolarHBondContact O-N 3.49Å; P39-L42 HydrophobicContact CG-CB 4.44Å; P39-L42 HydrophobicContact CG-CD1 3.87Å; P39-L42 HydrophobicContact CG-CG 4.15Å; P39-L42 PolarHBondContact O-N 3.36Å; P39-H43 PolarHBondContact O-CD2 3.35Å
40P95.4Very high97.2Very high107 Ų10753.6 Ų53.670%0.69531%0.314SS*.G310 helixtrans-51.9-31.4-177.5-30.435.8000115.3L42 H43P40-L42 PolarHBondContact O-N 3.39Å; P40-L42 VanDerWaalsContact O-N 3.1Å; P40-H43 WeakPolarHBondContact O-CB 3.44Å; P40-H43 PolarHBondContact O-N 3.21Å
41S94.1Very high97.2Very high80 Ų8052.5 Ų52.556%0.55931%0.309SS*.G310 helixtrans-67.9-7.2178.9800000115.2P39 K117P39-S41 PolarHBondContact O-N 3.49Å; S41-K117 PolarHBondContact OG-NZ 3.46Å
42L95.2Very high97.2Very high40 Ų4052.5 Ų52.521%0.20931%0.309CS..G310 helixtrans-121.56.7178.8-62.3178.8000112.4Y34 L38 P39 P40 K117 L121Y34-L42 PolarHBondContact OH-O 2.88Å; L38-L42 HydrophobicContact CB-CB 4.4Å; L38-L42 HydrophobicContact CD1-CB 4.29Å; P39-L42 HydrophobicContact CG-CB 4.44Å; P39-L42 HydrophobicContact CG-CD1 3.87Å; P39-L42 HydrophobicContact CG-CG 4.15Å; P39-L42 PolarHBondContact O-N 3.36Å; P40-L42 PolarHBondContact O-N 3.39Å; P40-L42 VanDerWaalsContact O-N 3.1Å; L42-K117 HydrophobicContact CD2-CD 4.15Å; L42-L121 HydrophobicContact CD1-CD1 3.77Å; L42-L121 HydrophobicContact CD1-CG 4.24Å
43H97.3Very high97.2Very high74 Ų7452 Ų5234%0.34330%0.304SS..  trans-67.1144.1175.7-71.1-175.5000110.8N35 L38 P39 P40N35-H43 HydrophobicContact CB-CB 4.49Å; N35-H43 PolarHBondContact O-CD2 3.34Å; N35-H43 PolarHBondContact O-NE2 3.12Å; N35-H43 VanDerWaalsContact OD1-CA 3.26Å; N35-H43 WeakPolarHBondContact OD1-CA 3.24Å; L38-H43 PolarHBondContact O-NE2 3.36Å; P39-H43 PolarHBondContact O-CD2 3.35Å; P40-H43 WeakPolarHBondContact O-CB 3.44Å; P40-H43 PolarHBondContact O-N 3.21Å
44L97.1Very high97.2Very high21 Ų2150.1 Ų50.111%0.1130%0.297CS..  trans-84.4130.1166.8-57.5175.1000108.3I31 Y34 N35 Y46 F120I31-L44 HydrophobicContact CD1-CD1 4.11Å; I31-L44 HydrophobicContact CG2-CB 3.95Å; I31-L44 HydrophobicContact CG2-CD1 4.45Å; Y34-L44 HydrophobicContact CD1-CD1 3.87Å; Y34-L44 HydrophobicContact CD1-CG 3.91Å; Y34-L44 HydrophobicContact CE1-CD1 3.87Å; Y34-L44 HydrophobicContact CE1-CD2 4.36Å; Y34-L44 HydrophobicContact CE1-CG 3.58Å; N35-L44 PolarHBondContact ND2-O 3.39Å; N35-L44 PolarHBondContact OD1-N 2.81Å; L44-Y46 HydrophobicContact CB-CD2 3.75Å; L44-Y46 HydrophobicContact CB-CE2 4.09Å; L44-Y46 PolarHBondContact O-N 3.46Å; L44-F120 HydrophobicContact CD2-CB 4.34Å
45S96.4Very high97.2Very high122 Ų12250 Ų5085%0.85330%0.297SS*.SBendtrans-79.458.2-175.2-54.80000112.9
46Y97.5Very high97.2Very high62 Ų6249.7 Ų49.724%0.24330%0.295CS..SBendtrans-127.3156.5173.9-54.6-87.5000110L44 D105 V170 V172L44-Y46 HydrophobicContact CB-CD2 3.75Å; L44-Y46 HydrophobicContact CB-CE2 4.09Å; L44-Y46 PolarHBondContact O-N 3.46Å; Y46-D105 PolarHBondContact OH-OD2 2.89Å; Y46-V170 HydrophobicContact CD1-CG1 3.84Å; Y46-V170 HydrophobicContact CD2-CG1 3.97Å; Y46-V170 HydrophobicContact CE1-CG1 3.85Å; Y46-V170 HydrophobicContact CE2-CB 4.39Å; Y46-V170 HydrophobicContact CE2-CG1 4.01Å; Y46-V170 HydrophobicContact CE2-CG2 4.14Å; Y46-V170 HydrophobicContact CG-CG1 3.9Å; Y46-V172 HydrophobicContact CE1-CG2 4.05Å
47P97.4Very high97.2Very high73 Ų7344.2 Ų44.247%0.47426%0.261SS..  trans-53.6146.9170.5-25.733.3000112.5D49 T50P47-D49 VanDerWaalsContact C-N 3.28Å; P47-D49 PolarHBondContact O-N 3.5Å; P47-T50 VanDerWaalsContact CD-OG1 3.28Å; P47-T50 WeakPolarHBondContact CD-OG1 3.49Å; P47-T50 WeakPolarHBondContact O-CB 3.43Å; P47-T50 PolarHBondContact O-N 3.03Å; P47-T50 PolarHBondContact O-OG1 3.17Å
48D97.3Very high97.3Very high103 Ų10341.1 Ų41.155%0.55124%0.243SC*.THydrogen-bonded Turntrans-59.5-38.3-174.6-75.5-14.2000113I31 G32 T50I31-D48 PolarHBondContact N-O 2.9Å; G32-D48 PolarHBondContact N-O 3.44Å; D48-T50 PolarHBondContact O-N 2.89Å
49D97.4Very high97.4Very high71 Ų7140.2 Ų40.238%0.3824%0.238SC..THydrogen-bonded Turntrans-79.92.8178.5-75.5-39.9000113.5K30 P47 L51 E175 V176K30-D49 IonicContact NZ-OD1 3.24Å; K30-D49 PolarHBondContact NZ-OD1 2.86Å; P47-D49 VanDerWaalsContact C-N 3.28Å; P47-D49 PolarHBondContact O-N 3.5Å; D49-L51 PolarHBondContact O-N 3.37Å; D49-E175 HydrophobicContact CB-CB 4.25Å; D49-E175 CarbonylContact O-C 3.57Å; D49-E175 VanDerWaalsContact O-CA 3.24Å; D49-E175 WeakPolarHBondContact O-CA 3.31Å; D49-V176 WeakPolarHBondContact CB-O 3.31Å; D49-V176 VanDerWaalsContact O-CG2 3.27Å; D49-V176 WeakPolarHBondContact O-CG2 3.37Å; D49-V176 PolarHBondContact O-N 2.96Å
50T97.8Very high97.5Very high4 Ų437.4 Ų37.43%0.02522%0.221CC..EExtended strand (participates in β ladder)trans-60.6132.5175.6-54.70000110.5I31 P47 D48 G52 V170I31-T50 HydrophobicContact CG1-CG2 4.16Å; I31-T50 PolarHBondContact N-O 3.16Å; I31-T50 VanDerWaalsContact N-O 3.09Å; P47-T50 VanDerWaalsContact CD-OG1 3.28Å; P47-T50 WeakPolarHBondContact CD-OG1 3.49Å; P47-T50 WeakPolarHBondContact O-CB 3.43Å; P47-T50 PolarHBondContact O-N 3.03Å; P47-T50 PolarHBondContact O-OG1 3.17Å; D48-T50 PolarHBondContact O-N 2.89Å; T50-G52 PolarHBondContact O-N 2.96Å; T50-V170 HydrophobicContact CG2-CG1 3.66Å
51L97.9Very high97.6Very high0 Ų032.3 Ų32.30%019%0.188CC..EExtended strand (participates in β ladder)trans-71.5121.4175.6-179.957.3000110.8V6 V8 V11 P28 D49 F171 S174 V176 L180V6-L51 HydrophobicContact CG2-CD2 4.35Å; V8-L51 HydrophobicContact CG2-CD1 4.25Å; V11-L51 HydrophobicContact CB-CD2 4.17Å; V11-L51 HydrophobicContact CG2-CD2 3.67Å; P28-L51 HydrophobicContact CB-CD1 4.31Å; D49-L51 PolarHBondContact O-N 3.37Å; L51-F171 HydrophobicContact CB-CB 4.4Å; L51-F171 HydrophobicContact CD2-CD2 4.36Å; L51-F171 HydrophobicContact CG-CD2 4.07Å; L51-F171 PolarHBondContact O-N 3.11Å; L51-S174 WeakPolarHBondContact CB-O 3.24Å; L51-S174 PolarHBondContact N-O 2.91Å; L51-V176 HydrophobicContact CB-CG1 3.94Å; L51-V176 HydrophobicContact CB-CG2 4.26Å; L51-V176 HydrophobicContact CD1-CG1 4.21Å; L51-V176 HydrophobicContact CD1-CG2 4.37Å; L51-V176 HydrophobicContact CD2-CG1 4.19Å; L51-V176 HydrophobicContact CG-CG1 4.34Å; L51-L180 HydrophobicContact CD1-CD2 3.99Å
52G97.9Very high97.8Very high0 Ų028.5 Ų28.50%016%0.161CC..EExtended strand (participates in β ladder)trans-115.5165.1167.600000112.1P28 L29 T50 L169P28-G52 CarbonylContact C-O 3.53Å; P28-G52 WeakPolarHBondContact CA-O 3.09Å; L29-G52 PolarHBondContact N-O 2.83Å; L29-G52 PolarHBondContact O-N 3.36Å; L29-G52 VanDerWaalsContact O-O 3.09Å; T50-G52 PolarHBondContact O-N 2.96Å; G52-L169 CarbonylContact C-O 3.48Å; G52-L169 WeakPolarHBondContact CA-O 3.5Å
53A98.1Very high98Very high0 Ų029.9 Ų29.90%017%0.167CC..EExtended strand (participates in β ladder)trans-144.5133.9168.600000110.5V11 V26 Y27 L169 F171V11-A53 HydrophobicContact CG1-CB 4.5Å; V26-A53 HydrophobicContact CG1-CB 3.89Å; Y27-A53 WeakPolarHBondContact O-CA 3.47Å; A53-L169 HydrophobicContact CB-CB 4.38Å; A53-L169 HydrophobicContact CB-CD1 4.46Å; A53-L169 PolarHBondContact N-O 3.48Å; A53-L169 PolarHBondContact O-N 2.58Å; A53-F171 HydrophobicContact CB-CE2 4.33Å
54V98.4Very high98Very high0 Ų030.6 Ų30.60%017%0.17CC..EExtended strand (participates in β ladder)trans-96.8136.8172.5670000109.7V26 Y27 L29 L56 A125 A126 A129 I165 A167V26-V54 WeakPolarHBondContact CA-O 3.37Å; Y27-V54 PolarHBondContact N-O 2.86Å; Y27-V54 PolarHBondContact O-N 3.39Å; L29-V54 HydrophobicContact CD2-CB 4.21Å; L29-V54 HydrophobicContact CD2-CG1 4.38Å; V54-L56 HydrophobicContact CG1-CD1 4.19Å; V54-L56 HydrophobicContact CG2-CD1 4Å; V54-A125 HydrophobicContact CG2-CB 4.32Å; V54-A126 HydrophobicContact CG2-CB 4.3Å; V54-A129 HydrophobicContact CG1-CB 3.59Å; V54-I165 HydrophobicContact CG2-CG2 3.67Å; V54-A167 WeakPolarHBondContact CA-O 3.4Å
55V98.6Very high98Very high0 Ų029.9 Ų29.90%017%0.167CC..EExtended strand (participates in β ladder)trans-112.3127.3-178.6-174.90000109.6L19 F24 E25 V26 I91 R166 A167 L169L19-V55 HydrophobicContact CD1-CG1 4.29Å; L19-V55 HydrophobicContact CD1-CG2 4.49Å; F24-V55 HydrophobicContact CB-CG1 4.11Å; F24-V55 HydrophobicContact CD1-CG1 3.85Å; F24-V55 HydrophobicContact CG-CG1 4.28Å; E25-V55 WeakPolarHBondContact O-CA 3.47Å; V26-V55 HydrophobicContact CG2-CG1 4.41Å; V26-V55 HydrophobicContact CG2-CG2 4.22Å; V55-I91 HydrophobicContact CB-CD1 4.23Å; V55-I91 HydrophobicContact CG1-CD1 3.94Å; V55-I91 HydrophobicContact CG1-CG1 4.5Å; V55-I91 HydrophobicContact CG2-CD1 4.49Å; V55-R166 PolarHBondContact O-N 2.85Å; V55-A167 HydrophobicContact CB-CB 4.36Å; V55-A167 PolarHBondContact N-O 3.07Å; V55-A167 PolarHBondContact O-N 3.24Å; V55-L169 HydrophobicContact CG2-CD1 3.93Å; V55-L169 HydrophobicContact CG2-CG 4.08Å
56L98.6Very high98Very high2 Ų224 Ų241%0.0113%0.126CC..EExtended strand (participates in β ladder)trans-111.6146.5175.7-78.962.5000109.2F24 E25 Y27 V54 A126 A131 V132 F163 A164 I165F24-L56 CarbonylContact C-O 3.59Å; F24-L56 WeakPolarHBondContact CA-O 3.28Å; F24-L56 WeakPolarHBondContact CB-O 3.18Å; F24-L56 WeakPolarHBondContact CD1-O 3.45Å; E25-L56 PolarHBondContact N-O 3.29Å; E25-L56 PolarHBondContact O-N 3.26Å; Y27-L56 HydrophobicContact CD2-CD1 4.31Å; Y27-L56 HydrophobicContact CE2-CD2 4.38Å; V54-L56 HydrophobicContact CG1-CD1 4.19Å; V54-L56 HydrophobicContact CG2-CD1 4Å; L56-A126 HydrophobicContact CD1-CB 4.38Å; L56-A131 HydrophobicContact CD1-CB 4.5Å; L56-A131 HydrophobicContact CD2-CB 4.24Å; L56-V132 HydrophobicContact CD2-CG1 3.82Å; L56-F163 HydrophobicContact CB-CD2 4.34Å; L56-F163 HydrophobicContact CD2-CD2 3.51Å; L56-F163 HydrophobicContact CD2-CE2 3.53Å; L56-F163 HydrophobicContact CG-CD2 3.91Å; L56-F163 HydrophobicContact CG-CE2 4.06Å; L56-A164 CarbonylContact C-O 3.47Å; L56-A164 VanDerWaalsContact CA-O 3.27Å; L56-A164 WeakPolarHBondContact CA-O 3.28Å; L56-I165 HydrophobicContact CD1-CG1 4.31Å; L56-I165 HydrophobicContact CD1-CG2 4.36Å; L56-I165 HydrophobicContact CG-CG1 4.13Å
57S98.7Very high97.8Very high1 Ų122 Ų221%0.00712%0.119CC..EExtended strand (participates in β ladder)trans-99.5129.7165.264.20000110.3M61 F163 A164 R166S57-M61 VanDerWaalsContact CB-CE 3.48Å; S57-F163 VanDerWaalsContact O-CA 3.3Å; S57-F163 WeakPolarHBondContact O-CA 3.42Å; S57-F163 WeakPolarHBondContact O-CB 3.19Å; S57-A164 PolarHBondContact N-O 3.45Å; S57-A164 PolarHBondContact O-N 2.96Å; S57-R166 PolarHBondContact OG-NE 3.37Å; S57-R166 PolarHBondContact OG-NH2 3.46Å
58T98.7Very high97.7Very high15 Ų1521.1 Ų21.19%0.09211%0.114CC..  trans-82.8173.5170.872.30000110.1G23 E25 A60 M61 L159G23-T58 WeakPolarHBondContact O-CB 3.4Å; G23-T58 WeakPolarHBondContact O-CG2 3.49Å; G23-T58 PolarHBondContact O-N 3.41Å; G23-T58 PolarHBondContact O-OG1 2.92Å; E25-T58 HydrophobicContact CG-CG2 3.76Å; T58-A60 PolarHBondContact O-N 3.28Å; T58-A60 PolarHBondContact OG1-N 3.07Å; T58-M61 WeakPolarHBondContact O-CB 3.45Å; T58-M61 PolarHBondContact O-N 3.27Å; T58-L159 HydrophobicContact CG2-CD1 3.96Å
59P98.7Very high97.5Very high1 Ų116.9 Ų16.91%0.0069%0.09CC..THydrogen-bonded Turntrans-51.9-43.3171.6-28.638.1000112.5M61 F62 L159 W162 Q219 T220 Y221 Q225P59-M61 PolarHBondContact O-N 2.73Å; P59-F62 PolarHBondContact O-N 2.95Å; P59-F62 VanDerWaalsContact O-N 3.15Å; P59-L159 HydrophobicContact CG-CD2 4.33Å; P59-W162 WeakPolarHBondContact CD-O 3.29Å; P59-W162 HydrophobicContact CG-CB 4.14Å; P59-W162 VanDerWaalsContact CG-O 3.28Å; P59-W162 WeakPolarHBondContact CG-O 3.32Å; P59-Q219 HydrophobicContact CB-CG 3.82Å; P59-Q219 HydrophobicContact CG-CB 4.2Å; P59-Q219 HydrophobicContact CG-CG 3.92Å; P59-T220 WeakPolarHBondContact CB-O 3.22Å; P59-Y221 HydrophobicContact CB-CD1 3.72Å; P59-Y221 HydrophobicContact CB-CE1 4.19Å; P59-Y221 HydrophobicContact CG-CD1 3.84Å; P59-Y221 HydrophobicContact CG-CE1 4.05Å; P59-Q225 PolarHBondContact O-NE2 2.87Å; P59-Q225 PolarHBondContact O-OE1 3.26Å
60A98.5Very high97.1Very high10 Ų1013.6 Ų13.68%0.0837%0.073CC..THydrogen-bonded Turntrans-59.2-21.8-176.400000114.5T58 F62 E63 Q64T58-A60 PolarHBondContact O-N 3.28Å; T58-A60 PolarHBondContact OG1-N 3.07Å; A60-F62 PolarHBondContact O-N 3.49Å; A60-E63 PolarHBondContact O-N 2.97Å; A60-Q64 HydrophobicContact CB-CG 4.38Å; A60-Q64 WeakPolarHBondContact O-CB 3.37Å; A60-Q64 VanDerWaalsContact O-CG 3.3Å; A60-Q64 WeakPolarHBondContact O-CG 3.12Å; A60-Q64 PolarHBondContact O-N 3.48Å
61M98.5Very high96.7Very high0 Ų019.5 Ų19.50%010%0.1CC..Hα-helixtrans-57.4-33.7177.9-177.8-84.7-74.100111.9L22 F24 S57 T58 P59 A65 F66 I83 V87L22-M61 VanDerWaalsContact O-CA 3.31Å; L22-M61 WeakPolarHBondContact O-CA 3.12Å; F24-M61 HydrophobicContact CD1-CG 4.34Å; F24-M61 HydrophobicContact CD2-CG 4.26Å; F24-M61 HydrophobicContact CE1-CG 3.77Å; F24-M61 HydrophobicContact CE2-CG 3.68Å; F24-M61 HydrophobicContact CZ-CG 3.4Å; F24-M61 HydrophobicContact CZ-SD 4.19Å; S57-M61 VanDerWaalsContact CB-CE 3.48Å; T58-M61 WeakPolarHBondContact O-CB 3.45Å; T58-M61 PolarHBondContact O-N 3.27Å; P59-M61 PolarHBondContact O-N 2.73Å; M61-A65 HydrophobicContact CG-CB 4.12Å; M61-A65 WeakPolarHBondContact O-CA 3.41Å; M61-A65 VanDerWaalsContact O-CB 3.29Å; M61-A65 WeakPolarHBondContact O-CB 3.48Å; M61-A65 PolarHBondContact O-N 3.44Å; M61-A65 HydrophobicContact SD-CB 4.44Å; M61-F66 PolarHBondContact O-N 3.14Å; M61-F66 HydrophobicContact SD-CB 4.32Å; M61-I83 HydrophobicContact CE-CD1 3.99Å; M61-I83 HydrophobicContact CE-CG1 4.24Å; M61-I83 HydrophobicContact SD-CD1 4.22Å; M61-V87 HydrophobicContact CE-CG2 4.15Å
62F98.4Very high96Very high0 Ų023.4 Ų23.40%013%0.128CC..Iπ-helixtrans-64.4-51.1-178.7-170.7-94.8000111.4P59 A60 F66 L67 I83 K224 Q225 Y228 F229 W243P59-F62 PolarHBondContact O-N 2.95Å; P59-F62 VanDerWaalsContact O-N 3.15Å; A60-F62 PolarHBondContact O-N 3.49Å; F62-F66 HydrophobicContact CD2-CB 4.36Å; F62-F66 AromaticContact CD2-CD1 3.53Å; F62-F66 HydrophobicContact CD2-CD1 3.53Å; F62-F66 HydrophobicContact CD2-CE1 4.21Å; F62-F66 HydrophobicContact CD2-CG 4.23Å; F62-F66 HydrophobicContact CE1-CD1 4.42Å; F62-F66 AromaticContact CE2-CD1 3.27Å; F62-F66 HydrophobicContact CE2-CD1 3.27Å; F62-F66 AromaticContact CE2-CE1 3.5Å; F62-F66 HydrophobicContact CE2-CE1 3.5Å; F62-F66 VanDerWaalsContact CE2-CE1 3.5Å; F62-F66 HydrophobicContact CE2-CG 4.32Å; F62-F66 HydrophobicContact CG-CD1 4.23Å; F62-F66 AromaticContact CZ-CD1 3.77Å; F62-F66 HydrophobicContact CZ-CD1 3.77Å; F62-F66 AromaticContact CZ-CE1 3.86Å; F62-F66 HydrophobicContact CZ-CE1 3.86Å; F62-F66 WeakPolarHBondContact O-CB 3.37Å; F62-F66 PolarHBondContact O-N 3Å; F62-L67 HydrophobicContact CD1-CD1 4.46Å; F62-L67 HydrophobicContact CD1-CD2 4.27Å; F62-L67 HydrophobicContact CD1-CG 4.23Å; F62-L67 HydrophobicContact CE1-CD1 4.36Å; F62-L67 HydrophobicContact CE1-CD2 3.71Å; F62-L67 HydrophobicContact CE1-CG 4.14Å; F62-L67 HydrophobicContact CZ-CD2 4.08Å; F62-L67 WeakPolarHBondContact O-CG 3.39Å; F62-L67 PolarHBondContact O-N 2.94Å; F62-I83 HydrophobicContact CD2-CD1 4.38Å; F62-K224 HydrophobicContact CE1-CB 4.47Å; F62-K224 HydrophobicContact CE1-CG 4.16Å; F62-Q225 HydrophobicContact CB-CB 4.16Å; F62-Q225 HydrophobicContact CB-CG 3.73Å; F62-Q225 HydrophobicContact CD1-CB 3.62Å; F62-Q225 HydrophobicContact CD1-CG 4.04Å; F62-Q225 HydrophobicContact CD2-CB 4.14Å; F62-Q225 HydrophobicContact CD2-CG 3.72Å; F62-Q225 HydrophobicContact CE1-CB 3.96Å; F62-Q225 HydrophobicContact CE2-CB 4.43Å; F62-Q225 HydrophobicContact CE2-CG 4.29Å; F62-Q225 HydrophobicContact CG-CB 3.71Å; F62-Q225 HydrophobicContact CG-CG 3.56Å; F62-Q225 HydrophobicContact CZ-CB 4.35Å; F62-Y228 AromaticContact CE2-CD1 3.76Å; F62-Y228 HydrophobicContact CE2-CD1 3.76Å; F62-Y228 HydrophobicContact CE2-CD2 4.23Å; F62-Y228 HydrophobicContact CE2-CE1 4.45Å; F62-Y228 AromaticContact CE2-CG 3.62Å; F62-Y228 HydrophobicContact CE2-CG 3.62Å; F62-Y228 HydrophobicContact CZ-CD2 4.37Å; F62-Y228 AromaticContact CZ-CG 3.97Å; F62-Y228 HydrophobicContact CZ-CG 3.97Å; F62-F229 HydrophobicContact CD2-CE2 4.47Å; F62-W243 HydrophobicContact CZ-CH2 4.23Å; F62-W243 AromaticContact CZ-CZ3 3.95Å; F62-W243 HydrophobicContact CZ-CZ3 3.95Å
63E97.8Very high94.4Very high69 Ų6932.2 Ų32.232%0.32216%0.161SC..Iπ-helixtrans-77.4-33.3179.4-66.877.3-169.400113.5A60 L67 P68 S222A60-E63 PolarHBondContact O-N 2.97Å; E63-L67 HydrophobicContact CG-CD1 4.27Å; E63-P68 VanDerWaalsContact O-CD 3.28Å; E63-P68 WeakPolarHBondContact O-CD 3.29Å; E63-S222 WeakPolarHBondContact OE1-CB 3.28Å; E63-S222 PolarHBondContact OE1-OG 3.19Å
64Q97.8Very high92.5Very high89 Ų8933.5 Ų33.542%0.41617%0.174SC..Iπ-helixtrans-88.1-25.1-173.8-65.3178.1-5.100114K21 A60K21-Q64 PolarHBondContact O-OE1 3.09Å; A60-Q64 HydrophobicContact CB-CG 4.38Å; A60-Q64 WeakPolarHBondContact O-CB 3.37Å; A60-Q64 VanDerWaalsContact O-CG 3.3Å; A60-Q64 WeakPolarHBondContact O-CG 3.12Å; A60-Q64 PolarHBondContact O-N 3.48Å
65A96.6Very high90.9Very high5 Ų536.2 Ų36.24%0.04118%0.184CC..Iπ-helixtrans-121.8-51.7-17800000112L22 F24 M61 F69L22-A65 HydrophobicContact CB-CB 4.05Å; L22-A65 HydrophobicContact CD2-CB 4.36Å; F24-A65 HydrophobicContact CE2-CB 4.25Å; M61-A65 HydrophobicContact CG-CB 4.12Å; M61-A65 WeakPolarHBondContact O-CA 3.41Å; M61-A65 VanDerWaalsContact O-CB 3.29Å; M61-A65 WeakPolarHBondContact O-CB 3.48Å; M61-A65 PolarHBondContact O-N 3.44Å; M61-A65 HydrophobicContact SD-CB 4.44Å; A65-F69 WeakPolarHBondContact O-CB 3.35Å; A65-F69 PolarHBondContact O-N 2.92Å
66F96.7Very high89.2Confident0 Ų045.8 Ų45.80%023%0.226CC..Iπ-helixtrans-69.6-49.4-172.4176.4-109.7000113.3M61 F62 F69 M70 P82 I83 C86 Y228 L240M61-F66 PolarHBondContact O-N 3.14Å; M61-F66 HydrophobicContact SD-CB 4.32Å; F62-F66 HydrophobicContact CD2-CB 4.36Å; F62-F66 AromaticContact CD2-CD1 3.53Å; F62-F66 HydrophobicContact CD2-CD1 3.53Å; F62-F66 HydrophobicContact CD2-CE1 4.21Å; F62-F66 HydrophobicContact CD2-CG 4.23Å; F62-F66 HydrophobicContact CE1-CD1 4.42Å; F62-F66 AromaticContact CE2-CD1 3.27Å; F62-F66 HydrophobicContact CE2-CD1 3.27Å; F62-F66 AromaticContact CE2-CE1 3.5Å; F62-F66 HydrophobicContact CE2-CE1 3.5Å; F62-F66 VanDerWaalsContact CE2-CE1 3.5Å; F62-F66 HydrophobicContact CE2-CG 4.32Å; F62-F66 HydrophobicContact CG-CD1 4.23Å; F62-F66 AromaticContact CZ-CD1 3.77Å; F62-F66 HydrophobicContact CZ-CD1 3.77Å; F62-F66 AromaticContact CZ-CE1 3.86Å; F62-F66 HydrophobicContact CZ-CE1 3.86Å; F62-F66 WeakPolarHBondContact O-CB 3.37Å; F62-F66 PolarHBondContact O-N 3Å; F66-F69 WeakPolarHBondContact O-CB 3.22Å; F66-F69 PolarHBondContact O-N 3.22Å; F66-M70 HydrophobicContact CD2-CG 4.24Å; F66-M70 HydrophobicContact CE1-CG 4.14Å; F66-M70 HydrophobicContact CE2-CG 3.78Å; F66-M70 HydrophobicContact CE2-SD 3.71Å; F66-M70 HydrophobicContact CZ-CG 3.73Å; F66-M70 HydrophobicContact CZ-SD 3.92Å; F66-M70 WeakPolarHBondContact O-CG 3.48Å; F66-M70 PolarHBondContact O-N 3.13Å; F66-P82 HydrophobicContact CE2-CB 3.79Å; F66-P82 HydrophobicContact CZ-CB 4.1Å; F66-I83 HydrophobicContact CB-CD1 3.84Å; F66-I83 HydrophobicContact CD1-CD1 4.1Å; F66-I83 HydrophobicContact CD2-CD1 3.51Å; F66-I83 HydrophobicContact CE2-CD1 4.06Å; F66-I83 HydrophobicContact CG-CD1 3.53Å; F66-C86 VanDerWaalsContact CA-SG 3.52Å; F66-C86 HydrophobicContact CD2-CB 3.84Å; F66-Y228 HydrophobicContact CE1-CD2 4.08Å; F66-Y228 HydrophobicContact CE1-CE1 4.47Å; F66-Y228 AromaticContact CE1-CE2 3.77Å; F66-Y228 HydrophobicContact CE1-CE2 3.77Å; F66-Y228 AromaticContact CE1-CZ 3.97Å; F66-Y228 HydrophobicContact CZ-CD2 4.32Å; F66-Y228 HydrophobicContact CZ-CE1 4.36Å; F66-Y228 AromaticContact CZ-CE2 3.55Å; F66-Y228 HydrophobicContact CZ-CE2 3.55Å; F66-Y228 AromaticContact CZ-CZ 3.56Å; F66-L240 HydrophobicContact CE1-CD2 4.21Å; F66-L240 HydrophobicContact CZ-CD1 4.41Å; F66-L240 HydrophobicContact CZ-CD2 4.04Å
67L94.8Very high87.4Confident19 Ų1946.6 Ų46.610%0.09924%0.235CC..Hα-helixtrans-61.6-47.1178.9-59.2-175.1000112.2F62 E63 F69 M70 E71 K224 Y245F62-L67 HydrophobicContact CD1-CD1 4.46Å; F62-L67 HydrophobicContact CD1-CD2 4.27Å; F62-L67 HydrophobicContact CD1-CG 4.23Å; F62-L67 HydrophobicContact CE1-CD1 4.36Å; F62-L67 HydrophobicContact CE1-CD2 3.71Å; F62-L67 HydrophobicContact CE1-CG 4.14Å; F62-L67 HydrophobicContact CZ-CD2 4.08Å; F62-L67 WeakPolarHBondContact O-CG 3.39Å; F62-L67 PolarHBondContact O-N 2.94Å; E63-L67 HydrophobicContact CG-CD1 4.27Å; L67-F69 VanDerWaalsContact C-N 3.31Å; L67-F69 PolarHBondContact O-N 3.01Å; L67-M70 WeakPolarHBondContact O-CB 3.4Å; L67-M70 PolarHBondContact O-N 3.08Å; L67-M70 VanDerWaalsContact O-N 3.11Å; L67-E71 WeakPolarHBondContact O-CG 3.41Å; L67-E71 PolarHBondContact O-N 2.86Å; L67-K224 HydrophobicContact CD1-CD 4.39Å; L67-Y245 HydrophobicContact CD2-CE2 3.97Å
68P94.5Very high85.4Confident55 Ų5552.4 Ų52.436%0.35727%0.27SS..Hα-helixtrans-60-37.6174.2-2736.5000113.8E63 M70 E71 S72E63-P68 VanDerWaalsContact O-CD 3.28Å; E63-P68 WeakPolarHBondContact O-CD 3.29Å; P68-M70 VanDerWaalsContact C-N 3.29Å; P68-M70 PolarHBondContact O-N 2.9Å; P68-E71 PolarHBondContact O-N 2.86Å; P68-S72 PolarHBondContact O-N 2.66Å
69F92.6Very high83.6Confident13 Ų1357.7 Ų57.76%0.05731%0.308CS..Hα-helixtrans-62.1-37.2175.2175.2-96000112.3A65 F66 L67 S72 Q85 C86 H89A65-F69 WeakPolarHBondContact O-CB 3.35Å; A65-F69 PolarHBondContact O-N 2.92Å; F66-F69 WeakPolarHBondContact O-CB 3.22Å; F66-F69 PolarHBondContact O-N 3.22Å; L67-F69 VanDerWaalsContact C-N 3.31Å; L67-F69 PolarHBondContact O-N 3.01Å; F69-S72 PolarHBondContact O-OG 2.6Å; F69-Q85 HydrophobicContact CE1-CB 4.18Å; F69-Q85 HydrophobicContact CZ-CB 4.09Å; F69-C86 HydrophobicContact CB-CB 4.22Å; F69-C86 HydrophobicContact CD1-CB 3.59Å; F69-C86 HydrophobicContact CD2-CB 4.47Å; F69-C86 HydrophobicContact CE1-CB 4.04Å; F69-C86 HydrophobicContact CG-CB 3.83Å; F69-H89 HydrophobicContact CD2-CB 4.25Å; F69-H89 AromaticContact CD2-CD2 3.93Å; F69-H89 HydrophobicContact CE2-CB 3.75Å; F69-H89 AromaticContact CE2-CG 3.78Å
70M90.6Very high82.4Confident3 Ų359.9 Ų59.92%0.01533%0.326CS..Hα-helixtrans-69.4-37.3174.6-66.5-52.7-50.900112F66 L67 P68 W75 P82 L240 Y245 L246F66-M70 HydrophobicContact CD2-CG 4.24Å; F66-M70 HydrophobicContact CE1-CG 4.14Å; F66-M70 HydrophobicContact CE2-CG 3.78Å; F66-M70 HydrophobicContact CE2-SD 3.71Å; F66-M70 HydrophobicContact CZ-CG 3.73Å; F66-M70 HydrophobicContact CZ-SD 3.92Å; F66-M70 WeakPolarHBondContact O-CG 3.48Å; F66-M70 PolarHBondContact O-N 3.13Å; L67-M70 WeakPolarHBondContact O-CB 3.4Å; L67-M70 PolarHBondContact O-N 3.08Å; L67-M70 VanDerWaalsContact O-N 3.11Å; P68-M70 VanDerWaalsContact C-N 3.29Å; P68-M70 PolarHBondContact O-N 2.9Å; M70-W75 HydrophobicContact CE-CB 4.47Å; M70-P82 HydrophobicContact SD-CB 4.01Å; M70-L240 HydrophobicContact CE-CD1 3.82Å; M70-L240 HydrophobicContact CE-CD2 4.3Å; M70-L240 HydrophobicContact CE-CG 4.47Å; M70-L240 HydrophobicContact CG-CD2 4.32Å; M70-L240 HydrophobicContact SD-CD1 4.31Å; M70-Y245 HydrophobicContact CB-CD1 3.64Å; M70-Y245 HydrophobicContact CB-CD2 4.47Å; M70-Y245 HydrophobicContact CB-CE1 4.27Å; M70-Y245 HydrophobicContact CB-CG 3.78Å; M70-L246 HydrophobicContact CE-CD2 3.9Å; M70-L246 HydrophobicContact CE-CG 4.45Å
71E88.9Confident81.9Confident128 Ų12860.7 Ų60.760%0.59833%0.329SS*.Hα-helixtrans-67.8-37.2178-69.2173.5-176.700112.9L67 P68 R73 Y245L67-E71 WeakPolarHBondContact O-CG 3.41Å; L67-E71 PolarHBondContact O-N 2.86Å; P68-E71 PolarHBondContact O-N 2.86Å; E71-R73 PolarHBondContact O-N 2.89Å; E71-Y245 HydrophobicContact CG-CD1 3.96Å; E71-Y245 HydrophobicContact CG-CE1 3.58Å
72S82.9Confident81.6Confident82 Ų8260.9 Ų60.957%0.57333%0.33SS*.THydrogen-bonded Turntrans-71.98.6-177.775.60000113.9P68 F69 G74P68-S72 PolarHBondContact O-N 2.66Å; F69-S72 PolarHBondContact O-OG 2.6Å; S72-G74 PolarHBondContact O-N 2.81Å
73R65Low81.4Confident184 Ų18461 Ų6169%0.69433%0.331SS*.THydrogen-bonded Turntrans48.330.9-172.3-59.3-172.1-179-162.3-0.8112.6E71 W75E71-R73 PolarHBondContact O-N 2.89Å; R73-W75 PolarHBondContact O-N 2.85Å
74G57.8Low81.2Confident27 Ų2759.2 Ų59.228%0.27832%0.323SS..  trans-71.6-8.6-178.400000113.8S72 K76S72-G74 PolarHBondContact O-N 2.81Å; G74-K76 PolarHBondContact O-N 2.83Å
75W65.1Low80.9Confident58 Ų5857 Ų5722%0.2231%0.313CS..  trans-78.3117.6177.7-179.462.3000111.1M70 R73 G77 L237 L246M70-W75 HydrophobicContact CE-CB 4.47Å; R73-W75 PolarHBondContact O-N 2.85Å; W75-G77 PolarHBondContact NE1-O 2.86Å; W75-L237 HydrophobicContact CH2-CD1 4Å; W75-L237 HydrophobicContact CH2-CD2 3.83Å; W75-L237 HydrophobicContact CH2-CG 4.48Å; W75-L237 HydrophobicContact CZ2-CD1 3.81Å; W75-L237 HydrophobicContact CZ2-CD2 3.39Å; W75-L237 HydrophobicContact CZ2-CG 4.24Å; W75-L246 HydrophobicContact CD2-CD2 4.14Å; W75-L246 HydrophobicContact CE3-CD1 4.16Å; W75-L246 HydrophobicContact CE3-CD2 3.27Å; W75-L246 HydrophobicContact CE3-CG 4.35Å; W75-L246 HydrophobicContact CH2-CD1 4.06Å; W75-L246 HydrophobicContact CZ3-CD1 3.71Å; W75-L246 HydrophobicContact CZ3-CD2 3.54Å; W75-L246 HydrophobicContact CZ3-CG 4.21Å
76K61.1Low80.8Confident200 Ų20056.7 Ų56.787%0.8731%0.311SS*.  trans-104.828-177.3-66.4-169.6177.2-174.40114.1G74G74-K76 PolarHBondContact O-N 2.83Å
77G61.3Low80.8Confident20 Ų2056.8 Ų56.821%0.20631%0.311CS..  trans99.7-16617100000116.6W75 S79 Q85W75-G77 PolarHBondContact NE1-O 2.86Å; G77-S79 PolarHBondContact O-N 3.36Å; G77-Q85 PolarHBondContact O-NE2 3.44Å
78V57.3Low80.8Confident122 Ų12260.3 Ų60.374%0.73933%0.326SS*.THydrogen-bonded Turn-95.4-3.7-113.2-164.60000115.6L237V78-L237 HydrophobicContact CG1-CD1 4.3Å
79S61.6Low80.8Confident127 Ų12761.9 Ų61.989%0.88833%0.328SS*.THydrogen-bonded Turntrans-99.5-15.8-16762.30000116.6G77G77-S79 PolarHBondContact O-N 3.36Å
80A72.1Confident81Confident47 Ų4761.9 Ų61.939%0.38833%0.329SS..SBendtrans-123.9143.9-177.400000111.4Q85A80-Q85 HydrophobicContact CB-CG 4.08Å; A80-Q85 PolarHBondContact O-NE2 2.69Å; A80-Q85 VanDerWaalsContact O-NE2 3.09Å
81D89.1Confident81.3Confident26 Ų2661.7 Ų61.714%0.13933%0.329CS..  trans-56.8134-179.3-159.9-77.9000110.7I83 D84 Q85 Y228 R236D81-I83 PolarHBondContact O-N 2.97Å; D81-I83 WeakPolarHBondContact OD1-CG2 3.39Å; D81-I83 PolarHBondContact OD1-N 2.82Å; D81-D84 HydrophobicContact CB-CB 4.33Å; D81-D84 WeakPolarHBondContact CB-OD2 3.4Å; D81-D84 WeakPolarHBondContact O-CB 3.42Å; D81-D84 PolarHBondContact O-N 2.77Å; D81-Q85 PolarHBondContact O-N 3.33Å; D81-Y228 PolarHBondContact OD1-OH 3.36Å; D81-R236 IonicContact OD1-NH1 2.76Å; D81-R236 PolarHBondContact OD1-NH1 3.49Å; D81-R236 WeakPolarHBondContact OD2-CD 3.48Å; D81-R236 IonicContact OD2-CZ 2.63Å; D81-R236 IonicContact OD2-NE 2.62Å; D81-R236 IonicContact OD2-NH1 3.07Å; D81-R236 PolarHBondContact OD2-NH1 3.47Å
82P91.6Very high81.7Confident4 Ų458 Ų583%0.02631%0.313CS..Hα-helixtrans-57.1-33.2-177.7-27.635.4000113.6F66 M70 D84 Q85 C86 L237 L240F66-P82 HydrophobicContact CE2-CB 3.79Å; F66-P82 HydrophobicContact CZ-CB 4.1Å; M70-P82 HydrophobicContact SD-CB 4.01Å; P82-D84 VanDerWaalsContact C-N 3.33Å; P82-Q85 PolarHBondContact O-N 3.13Å; P82-C86 PolarHBondContact O-N 3.46Å; P82-C86 VanDerWaalsContact O-N 3.07Å; P82-L237 HydrophobicContact CG-CD2 3.83Å; P82-L240 HydrophobicContact CB-CD1 3.93Å; P82-L240 HydrophobicContact CG-CD1 3.66Å
83I94.3Very high82.3Confident4 Ų457.1 Ų57.12%0.02130%0.302CS..Hα-helixtrans-66.4-38.3178.2-156.567.2000111.3M61 F62 F66 D81 C86 V87 Y228 F229M61-I83 HydrophobicContact CE-CD1 3.99Å; M61-I83 HydrophobicContact CE-CG1 4.24Å; M61-I83 HydrophobicContact SD-CD1 4.22Å; F62-I83 HydrophobicContact CD2-CD1 4.38Å; F66-I83 HydrophobicContact CB-CD1 3.84Å; F66-I83 HydrophobicContact CD1-CD1 4.1Å; F66-I83 HydrophobicContact CD2-CD1 3.51Å; F66-I83 HydrophobicContact CE2-CD1 4.06Å; F66-I83 HydrophobicContact CG-CD1 3.53Å; D81-I83 PolarHBondContact O-N 2.97Å; D81-I83 WeakPolarHBondContact OD1-CG2 3.39Å; D81-I83 PolarHBondContact OD1-N 2.82Å; I83-C86 PolarHBondContact O-N 3.08Å; I83-V87 VanDerWaalsContact O-CG2 3.29Å; I83-V87 WeakPolarHBondContact O-CG2 3.12Å; I83-V87 PolarHBondContact O-N 3.49Å; I83-Y228 HydrophobicContact CB-CE1 4.12Å; I83-Y228 HydrophobicContact CD1-CE1 4.47Å; I83-Y228 PolarHBondContact N-OH 3.43Å; I83-F229 HydrophobicContact CD1-CZ 4.28Å; I83-F229 HydrophobicContact CG1-CE1 4.17Å; I83-F229 HydrophobicContact CG1-CZ 4.2Å
84D93.8Very high83.8Confident30 Ų3048.7 Ų48.716%0.1627%0.271CS..Hα-helixtrans-68.7-39-179.4-65.5-16.8000110.5D81 P82 V87 K88 Y110D81-D84 HydrophobicContact CB-CB 4.33Å; D81-D84 WeakPolarHBondContact CB-OD2 3.4Å; D81-D84 WeakPolarHBondContact O-CB 3.42Å; D81-D84 PolarHBondContact O-N 2.77Å; P82-D84 VanDerWaalsContact C-N 3.33Å; D84-V87 PolarHBondContact O-N 3.48Å; D84-K88 VanDerWaalsContact O-CB 3.23Å; D84-K88 WeakPolarHBondContact O-CB 3.47Å; D84-K88 PolarHBondContact O-N 3.03Å; D84-Y110 HydrophobicContact CB-CD1 3.96Å; D84-Y110 HydrophobicContact CB-CE1 3.56Å; D84-Y110 VanDerWaalsContact CG-CD1 3.45Å
85Q91.9Very high85.6Confident42 Ų4248 Ų4820%0.19626%0.261CS..Hα-helixtrans-64.7-43.7175.1-64.6-168.341.900112F69 G77 A80 D81 P82 K88 H89F69-Q85 HydrophobicContact CE1-CB 4.18Å; F69-Q85 HydrophobicContact CZ-CB 4.09Å; G77-Q85 PolarHBondContact O-NE2 3.44Å; A80-Q85 HydrophobicContact CB-CG 4.08Å; A80-Q85 PolarHBondContact O-NE2 2.69Å; A80-Q85 VanDerWaalsContact O-NE2 3.09Å; D81-Q85 PolarHBondContact O-N 3.33Å; P82-Q85 PolarHBondContact O-N 3.13Å; Q85-K88 PolarHBondContact O-N 2.74Å; Q85-H89 VanDerWaalsContact O-CB 3.3Å; Q85-H89 WeakPolarHBondContact O-CB 3.47Å; Q85-H89 PolarHBondContact O-N 3.15Å
86C94.8Very high87Confident0 Ų049.2 Ų49.20%028%0.278CS..Hα-helixtrans-59.1-52.1175.1172.60000111.2F66 F69 P82 I83 K88 H89 C90F66-C86 VanDerWaalsContact CA-SG 3.52Å; F66-C86 HydrophobicContact CD2-CB 3.84Å; F69-C86 HydrophobicContact CB-CB 4.22Å; F69-C86 HydrophobicContact CD1-CB 3.59Å; F69-C86 HydrophobicContact CD2-CB 4.47Å; F69-C86 HydrophobicContact CE1-CB 4.04Å; F69-C86 HydrophobicContact CG-CB 3.83Å; P82-C86 PolarHBondContact O-N 3.46Å; P82-C86 VanDerWaalsContact O-N 3.07Å; I83-C86 PolarHBondContact O-N 3.08Å; C86-K88 VanDerWaalsContact C-N 3.32Å; C86-K88 PolarHBondContact O-N 3.01Å; C86-H89 WeakPolarHBondContact O-CB 3.46Å; C86-H89 PolarHBondContact O-N 3.03Å; C86-H89 VanDerWaalsContact O-N 3.15Å; C86-C90 PolarHBondContact O-N 2.82Å; C86-C90 PolarHBondContact O-SG 2.98Å
87V96.4Very high88.6Confident1 Ų146 Ų461%0.00627%0.266CS..Hα-helixtrans-56.9-47.1178.9167.70000110.8F24 M61 I83 D84 H89 C90 I91 Y108 R166F24-V87 HydrophobicContact CE1-CG1 4.49Å; F24-V87 HydrophobicContact CE1-CG2 4.17Å; F24-V87 HydrophobicContact CZ-CG2 4.21Å; M61-V87 HydrophobicContact CE-CG2 4.15Å; I83-V87 VanDerWaalsContact O-CG2 3.29Å; I83-V87 WeakPolarHBondContact O-CG2 3.12Å; I83-V87 PolarHBondContact O-N 3.49Å; D84-V87 PolarHBondContact O-N 3.48Å; V87-H89 VanDerWaalsContact C-N 3.35Å; V87-H89 PolarHBondContact O-N 3.07Å; V87-C90 PolarHBondContact O-N 3.35Å; V87-I91 HydrophobicContact CG1-CD1 3.77Å; V87-I91 WeakPolarHBondContact O-CB 3.29Å; V87-I91 WeakPolarHBondContact O-CG1 3.42Å; V87-I91 PolarHBondContact O-N 3.33Å; V87-Y108 HydrophobicContact CG1-CD1 4.13Å; V87-Y108 HydrophobicContact CG1-CE1 4.14Å; V87-R166 HydrophobicContact CG1-CB 3.88Å; V87-R166 HydrophobicContact CG1-CG 4.26Å; V87-R166 HydrophobicContact CG2-CG 4.42Å
88K95.3Very high90.2Very high93 Ų9346.4 Ų46.440%0.40427%0.266SS..Hα-helixtrans-61.6-41.9177.9-177.8171.3-176.3174.90112.3D84 Q85 C86 N92 Y108D84-K88 VanDerWaalsContact O-CB 3.23Å; D84-K88 WeakPolarHBondContact O-CB 3.47Å; D84-K88 PolarHBondContact O-N 3.03Å; Q85-K88 PolarHBondContact O-N 2.74Å; C86-K88 VanDerWaalsContact C-N 3.32Å; C86-K88 PolarHBondContact O-N 3.01Å; K88-N92 VanDerWaalsContact CG-ND2 3.31Å; K88-N92 WeakPolarHBondContact CG-ND2 3.45Å; K88-N92 WeakPolarHBondContact O-CB 3.31Å; K88-N92 PolarHBondContact O-N 2.88Å; K88-N92 PolarHBondContact O-ND2 3.07Å; K88-Y108 WeakPolarHBondContact CA-OH 3.5Å; K88-Y108 HydrophobicContact CB-CE1 4.07Å; K88-Y108 HydrophobicContact CB-CE2 4.44Å; K88-Y108 HydrophobicContact CD-CE2 4.31Å; K88-Y108 HydrophobicContact CG-CE1 4.41Å; K88-Y108 HydrophobicContact CG-CE2 3.98Å; K88-Y108 PolarHBondContact O-OH 3.05Å
89H94.4Very high92Very high89 Ų8941.2 Ų41.241%0.41223%0.233SC..Hα-helixtrans-63.2-51.5176.8-178.984000111.5F69 Q85 C86 V87 I91 N93F69-H89 HydrophobicContact CD2-CB 4.25Å; F69-H89 AromaticContact CD2-CD2 3.93Å; F69-H89 HydrophobicContact CE2-CB 3.75Å; F69-H89 AromaticContact CE2-CG 3.78Å; Q85-H89 VanDerWaalsContact O-CB 3.3Å; Q85-H89 WeakPolarHBondContact O-CB 3.47Å; Q85-H89 PolarHBondContact O-N 3.15Å; C86-H89 WeakPolarHBondContact O-CB 3.46Å; C86-H89 PolarHBondContact O-N 3.03Å; C86-H89 VanDerWaalsContact O-N 3.15Å; V87-H89 VanDerWaalsContact C-N 3.35Å; V87-H89 PolarHBondContact O-N 3.07Å; H89-I91 PolarHBondContact O-N 2.85Å; H89-N93 PolarHBondContact CD2-ND2 2.9Å; H89-N93 PolarHBondContact CE1-ND2 3.24Å; H89-N93 PolarHBondContact NE2-ND2 2.99Å; H89-N93 VanDerWaalsContact O-CB 3.3Å; H89-N93 WeakPolarHBondContact O-CB 3.35Å; H89-N93 PolarHBondContact O-N 3.5Å; H89-N93 PolarHBondContact O-ND2 3.22Å; H89-N93 PolarHBondContact O-OD1 3.06Å
90C96.2Very high93.5Very high12 Ų1240.1 Ų40.18%0.08122%0.223CC..Hα-helixtrans-59.7-47.7-179.5-670000112.2L22 F24 C86 V87 T94L22-C90 HydrophobicContact CD1-CB 4.1Å; F24-C90 HydrophobicContact CE2-CB 4Å; F24-C90 HydrophobicContact CZ-CB 4.29Å; C86-C90 PolarHBondContact O-N 2.82Å; C86-C90 PolarHBondContact O-SG 2.98Å; V87-C90 PolarHBondContact O-N 3.35Å; C90-T94 WeakPolarHBondContact O-CB 3.31Å; C90-T94 PolarHBondContact O-N 3.29Å; C90-T94 VanDerWaalsContact O-N 3.13Å; C90-T94 PolarHBondContact O-OG1 3.05Å
91I97.3Very high94.4Very high0 Ų040.8 Ų40.80%023%0.234CC..Hα-helixtrans-69-50-177.3-67.7178.3000110.7V55 V87 H89 N93 T94 V95 V106 Y108 A167 L169V55-I91 HydrophobicContact CB-CD1 4.23Å; V55-I91 HydrophobicContact CG1-CD1 3.94Å; V55-I91 HydrophobicContact CG1-CG1 4.5Å; V55-I91 HydrophobicContact CG2-CD1 4.49Å; V87-I91 HydrophobicContact CG1-CD1 3.77Å; V87-I91 WeakPolarHBondContact O-CB 3.29Å; V87-I91 WeakPolarHBondContact O-CG1 3.42Å; V87-I91 PolarHBondContact O-N 3.33Å; H89-I91 PolarHBondContact O-N 2.85Å; I91-N93 PolarHBondContact O-N 3.04Å; I91-T94 PolarHBondContact O-N 3.5Å; I91-V95 HydrophobicContact CG2-CG2 4.32Å; I91-V95 WeakPolarHBondContact O-CB 3.45Å; I91-V95 VanDerWaalsContact O-CG2 3.31Å; I91-V95 WeakPolarHBondContact O-CG2 3.32Å; I91-V95 PolarHBondContact O-N 3.32Å; I91-V106 HydrophobicContact CG2-CG1 4.18Å; I91-Y108 HydrophobicContact CB-CE1 4.38Å; I91-Y108 HydrophobicContact CD1-CE1 4.12Å; I91-A167 HydrophobicContact CD1-CB 3.74Å; I91-L169 HydrophobicContact CG2-CD2 3.79Å
92N96.1Very high94.6Very high50 Ų5040.6 Ų40.627%0.26723%0.234SC..Hα-helixtrans-65.1-39.9-177.1-72.2-20.3000112.7K88 S96 Y108K88-N92 VanDerWaalsContact CG-ND2 3.31Å; K88-N92 WeakPolarHBondContact CG-ND2 3.45Å; K88-N92 WeakPolarHBondContact O-CB 3.31Å; K88-N92 PolarHBondContact O-N 2.88Å; K88-N92 PolarHBondContact O-ND2 3.07Å; N92-S96 WeakPolarHBondContact O-CB 3.47Å; N92-S96 PolarHBondContact O-N 3.44Å; N92-S96 PolarHBondContact O-OG 2.76Å; N92-Y108 PolarHBondContact ND2-OH 2.75Å; N92-Y108 PolarHBondContact OD1-OH 3.42Å
93N95.1Very high94.8Very high63 Ų6345.2 Ų45.234%0.33725%0.254SS..Hα-helixtrans-64-48.2176.7-69.8-3000110.4H89 I91 V95 S96 E97H89-N93 PolarHBondContact CD2-ND2 2.9Å; H89-N93 PolarHBondContact CE1-ND2 3.24Å; H89-N93 PolarHBondContact NE2-ND2 2.99Å; H89-N93 VanDerWaalsContact O-CB 3.3Å; H89-N93 WeakPolarHBondContact O-CB 3.35Å; H89-N93 PolarHBondContact O-N 3.5Å; H89-N93 PolarHBondContact O-ND2 3.22Å; H89-N93 PolarHBondContact O-OD1 3.06Å; I91-N93 PolarHBondContact O-N 3.04Å; N93-V95 VanDerWaalsContact C-N 3.33Å; N93-V95 PolarHBondContact O-N 2.84Å; N93-S96 PolarHBondContact O-N 3.33Å; N93-S96 VanDerWaalsContact O-N 3.16Å; N93-E97 WeakPolarHBondContact O-CB 3.43Å; N93-E97 WeakPolarHBondContact O-CG 3.36Å; N93-E97 PolarHBondContact O-N 2.97Å
94T96.4Very high95Very high8 Ų846.2 Ų46.25%0.04926%0.26CS..Hα-helixtrans-59.8-44.2179.2-57.50000111.8L15 H18 L19 C90 I91 S96 E97 C98L15-T94 HydrophobicContact CD2-CG2 4.02Å; H18-T94 HydrophobicContact CB-CG2 3.48Å; H18-T94 VanDerWaalsContact CB-CG2 3.48Å; L19-T94 HydrophobicContact CD2-CG2 4.19Å; L19-T94 WeakPolarHBondContact CD2-OG1 3.27Å; L19-T94 HydrophobicContact CG-CG2 4Å; C90-T94 WeakPolarHBondContact O-CB 3.31Å; C90-T94 PolarHBondContact O-N 3.29Å; C90-T94 VanDerWaalsContact O-N 3.13Å; C90-T94 PolarHBondContact O-OG1 3.05Å; I91-T94 PolarHBondContact O-N 3.5Å; T94-S96 VanDerWaalsContact C-N 3.35Å; T94-S96 PolarHBondContact O-N 2.99Å; T94-E97 PolarHBondContact O-N 3.39Å; T94-C98 VanDerWaalsContact O-CB 3.22Å; T94-C98 WeakPolarHBondContact O-CB 3.3Å; T94-C98 PolarHBondContact O-N 2.96Å; T94-C98 PolarHBondContact O-SG 2.86Å
95V96.2Very high95.2Very high13 Ų1346.9 Ų46.98%0.07926%0.264CS..Hα-helixtrans-61.2-45.2177.1166.90000110.9L15 I91 N93 E97 F99 V104 L169L15-V95 HydrophobicContact CD2-CG2 4.42Å; I91-V95 HydrophobicContact CG2-CG2 4.32Å; I91-V95 WeakPolarHBondContact O-CB 3.45Å; I91-V95 VanDerWaalsContact O-CG2 3.31Å; I91-V95 WeakPolarHBondContact O-CG2 3.32Å; I91-V95 PolarHBondContact O-N 3.32Å; N93-V95 VanDerWaalsContact C-N 3.33Å; N93-V95 PolarHBondContact O-N 2.84Å; V95-E97 PolarHBondContact O-N 2.98Å; V95-F99 PolarHBondContact O-N 3.18Å; V95-V104 HydrophobicContact CG1-CB 3.72Å; V95-V104 HydrophobicContact CG1-CG1 4.01Å; V95-V104 HydrophobicContact CG1-CG2 3.81Å; V95-L169 HydrophobicContact CG2-CD1 4.24Å; V95-L169 HydrophobicContact CG2-CD2 4.47Å
96S95.2Very high95.5Very high82 Ų8246.3 Ų46.357%0.57326%0.263SS*.Hα-helixtrans-65.7-38.4-179.2-56.80000112.4N92 N93 T94N92-S96 WeakPolarHBondContact O-CB 3.47Å; N92-S96 PolarHBondContact O-N 3.44Å; N92-S96 PolarHBondContact O-OG 2.76Å; N93-S96 PolarHBondContact O-N 3.33Å; N93-S96 VanDerWaalsContact O-N 3.16Å; T94-S96 VanDerWaalsContact C-N 3.35Å; T94-S96 PolarHBondContact O-N 2.99Å
97E94.9Very high95.6Very high133 Ų13347.4 Ų47.462%0.62127%0.271SS*.Hα-helixtrans-73.5-42.6178.4-72.6172.5-171.300112.4N93 T94 V95N93-E97 WeakPolarHBondContact O-CB 3.43Å; N93-E97 WeakPolarHBondContact O-CG 3.36Å; N93-E97 PolarHBondContact O-N 2.97Å; T94-E97 PolarHBondContact O-N 3.39Å; V95-E97 PolarHBondContact O-N 2.98Å
98C94.6Very high95.7Very high29 Ų2947.6 Ų47.620%0.19627%0.272CS..Hα-helixtrans-78.9-30.3-175.7-68.60000113.3A14 H18 T94 P100A14-C98 HydrophobicContact CB-CB 3.99Å; H18-C98 PolarHBondContact ND1-SG 2.83Å; H18-C98 VanDerWaalsContact ND1-SG 3.41Å; T94-C98 VanDerWaalsContact O-CB 3.22Å; T94-C98 WeakPolarHBondContact O-CB 3.3Å; T94-C98 PolarHBondContact O-N 2.96Å; T94-C98 PolarHBondContact O-SG 2.86Å; C98-P100 VanDerWaalsContact C-CD 3.45Å
99F94.6Very high95.8Very high13 Ų1346 Ų466%0.05727%0.267CS..SBendtrans-131.358.6-171.4-48.2-70.6000112.4V6 V11 A14 L15 V95 G101 V102 F171V6-F99 HydrophobicContact CG1-CD1 3.85Å; V6-F99 HydrophobicContact CG1-CE1 4.36Å; V11-F99 HydrophobicContact CB-CZ 4.44Å; V11-F99 HydrophobicContact CG2-CE1 4.13Å; V11-F99 HydrophobicContact CG2-CZ 4.16Å; A14-F99 HydrophobicContact CB-CE1 4.11Å; A14-F99 HydrophobicContact CB-CZ 3.81Å; L15-F99 HydrophobicContact CD1-CE2 4.5Å; L15-F99 HydrophobicContact CD2-CE2 3.71Å; L15-F99 HydrophobicContact CD2-CZ 4.39Å; L15-F99 HydrophobicContact CG-CE2 3.85Å; L15-F99 HydrophobicContact CG-CZ 4.07Å; V95-F99 PolarHBondContact O-N 3.18Å; F99-G101 PolarHBondContact O-N 3.38Å; F99-V102 HydrophobicContact CB-CB 3.83Å; F99-V102 HydrophobicContact CB-CG2 3.91Å; F99-V102 PolarHBondContact O-N 2.8Å; F99-V102 VanDerWaalsContact O-N 3.12Å; F99-F171 HydrophobicContact CD1-CE1 4.45Å; F99-F171 AromaticContact CD2-CE1 3.87Å; F99-F171 HydrophobicContact CD2-CE1 3.87Å; F99-F171 HydrophobicContact CD2-CZ 4.5Å; F99-F171 HydrophobicContact CE1-CE1 4.45Å; F99-F171 AromaticContact CE2-CE1 3.87Å; F99-F171 HydrophobicContact CE2-CE1 3.87Å; F99-F171 HydrophobicContact CE2-CZ 4.12Å; F99-F171 HydrophobicContact CG-CE1 4.17Å; F99-F171 HydrophobicContact CZ-CE1 4.17Å; F99-F171 HydrophobicContact CZ-CZ 4.42Å
100P93.2Very high95.8Very high103 Ų10345.8 Ų45.867%0.66926%0.264SS*.THydrogen-bonded Turntrans-60.6125-179.426.9-34.9000110.8C98 V102C98-P100 VanDerWaalsContact C-CD 3.45Å; P100-V102 VanDerWaalsContact C-N 3.28Å; P100-V102 PolarHBondContact O-N 2.91Å
101G91.1Very high95.7Very high61 Ų6146.9 Ų46.963%0.62927%0.267SS*.THydrogen-bonded Turntrans81.6-6179.500000115.5P4 F99P4-G101 WeakPolarHBondContact CD-O 3.16Å; P4-G101 WeakPolarHBondContact CG-O 3.4Å; F99-G101 PolarHBondContact O-N 3.38Å
102V94.4Very high95.5Very high22 Ų2251.5 Ų51.513%0.13329%0.29CS..  trans-81.6132.8171.4-178.10000108.7P4 V6 F99 P100 V104 F171P4-V102 HydrophobicContact CB-CG2 4.04Å; V6-V102 HydrophobicContact CG1-CG1 4.25Å; V6-V102 HydrophobicContact CG1-CG2 3.75Å; F99-V102 HydrophobicContact CB-CB 3.83Å; F99-V102 HydrophobicContact CB-CG2 3.91Å; F99-V102 PolarHBondContact O-N 2.8Å; F99-V102 VanDerWaalsContact O-N 3.12Å; P100-V102 VanDerWaalsContact C-N 3.28Å; P100-V102 PolarHBondContact O-N 2.91Å; V102-V104 HydrophobicContact CG1-CG2 4.07Å; V102-V104 PolarHBondContact O-N 2.85Å; V102-F171 HydrophobicContact CG1-CD1 4.22Å
103K95.8Very high95.2Very high101 Ų10152.8 Ų52.844%0.43930%0.296SS..  trans-79.3113.5174.7-177.4179.4175.3-169.70109.6D105 V172K103-D105 WeakPolarHBondContact CE-OD1 3.3Å; K103-D105 IonicContact NZ-OD1 2.92Å; K103-V172 HydrophobicContact CB-CB 4.14Å; K103-V172 HydrophobicContact CD-CB 3.96Å; K103-V172 HydrophobicContact CD-CG1 4.1Å; K103-V172 HydrophobicContact CD-CG2 4.05Å; K103-V172 HydrophobicContact CG-CB 4Å; K103-V172 HydrophobicContact CG-CG2 4.01Å; K103-V172 PolarHBondContact O-N 3.03Å
104V97.8Very high95Very high25 Ų2556.2 Ų56.215%0.15232%0.322CS..EExtended strand (participates in β ladder)trans-118.4115.8175.3-172.50000109.3V95 V102 V106 L169 V170 F171V95-V104 HydrophobicContact CG1-CB 3.72Å; V95-V104 HydrophobicContact CG1-CG1 4.01Å; V95-V104 HydrophobicContact CG1-CG2 3.81Å; V102-V104 HydrophobicContact CG1-CG2 4.07Å; V102-V104 PolarHBondContact O-N 2.85Å; V104-V106 HydrophobicContact CG1-CG2 4.21Å; V104-L169 HydrophobicContact CG1-CB 4.13Å; V104-V170 CarbonylContact C-O 3.48Å; V104-V170 WeakPolarHBondContact CA-O 3.21Å; V104-F171 HydrophobicContact CG1-CD1 4.48Å; V104-F171 HydrophobicContact CG1-CE1 4.37Å; V104-F171 HydrophobicContact CG2-CD1 3.61Å; V104-F171 HydrophobicContact CG2-CE1 3.72Å; V104-F171 HydrophobicContact CG2-CG 4.43Å
105D97.8Very high94.7Very high45 Ų4559.4 Ų59.424%0.24135%0.345CS..EExtended strand (participates in β ladder)trans-84.7123.5172-67.4-18.3000108.3Y46 K103 V170 V172Y46-D105 PolarHBondContact OH-OD2 2.89Å; K103-D105 WeakPolarHBondContact CE-OD1 3.3Å; K103-D105 IonicContact NZ-OD1 2.92Å; D105-V170 HydrophobicContact CB-CB 4.39Å; D105-V170 PolarHBondContact N-O 3.11Å; D105-V170 PolarHBondContact O-N 3.07Å; D105-V172 HydrophobicContact CB-CG2 4.41Å; D105-V172 WeakPolarHBondContact OD2-CG2 3.25Å
106V98.1Very high94.5Very high30 Ų3068.7 Ų68.718%0.18238%0.378CS..EExtended strand (participates in β ladder)trans-111.5124.7-179.2-174.40000109.6I91 V104 Y108 A167 L169I91-V106 HydrophobicContact CG2-CG1 4.18Å; V104-V106 HydrophobicContact CG1-CG2 4.21Å; V106-Y108 HydrophobicContact CB-CE2 4.31Å; V106-Y108 HydrophobicContact CG1-CD2 4.2Å; V106-Y108 HydrophobicContact CG1-CE1 4.07Å; V106-Y108 HydrophobicContact CG1-CE2 3.54Å; V106-Y108 VanDerWaalsContact CG1-CZ 3.46Å; V106-A167 HydrophobicContact CG1-CB 4.36Å; V106-L169 HydrophobicContact CB-CD2 4.2Å; V106-L169 HydrophobicContact CG1-CD2 3.71Å; V106-L169 HydrophobicContact CG2-CD2 3.75Å
107S98Very high94.3Very high23 Ų2368.7 Ų68.716%0.16137%0.368CS..EExtended strand (participates in β ladder)trans-117.2127.2172.3-62.40000109.7F120 A167 M168S107-F120 VanDerWaalsContact O-CE1 3.27Å; S107-F120 WeakPolarHBondContact O-CE1 3.22Å; S107-A167 CarbonylContact O-C 3.54Å; S107-A167 WeakPolarHBondContact O-CA 3.37Å; S107-M168 PolarHBondContact N-O 3.07Å; S107-M168 PolarHBondContact O-N 3.19Å
108Y98.1Very high94.2Very high5 Ų564.6 Ų64.62%0.0235%0.353CS..EExtended strand (participates in β ladder)trans-95.2152.7179.7-61.9-87.7000111.7V87 K88 I91 N92 V106 Y110 E111 R166 A167V87-Y108 HydrophobicContact CG1-CD1 4.13Å; V87-Y108 HydrophobicContact CG1-CE1 4.14Å; K88-Y108 WeakPolarHBondContact CA-OH 3.5Å; K88-Y108 HydrophobicContact CB-CE1 4.07Å; K88-Y108 HydrophobicContact CB-CE2 4.44Å; K88-Y108 HydrophobicContact CD-CE2 4.31Å; K88-Y108 HydrophobicContact CG-CE1 4.41Å; K88-Y108 HydrophobicContact CG-CE2 3.98Å; K88-Y108 PolarHBondContact O-OH 3.05Å; I91-Y108 HydrophobicContact CB-CE1 4.38Å; I91-Y108 HydrophobicContact CD1-CE1 4.12Å; N92-Y108 PolarHBondContact ND2-OH 2.75Å; N92-Y108 PolarHBondContact OD1-OH 3.42Å; V106-Y108 HydrophobicContact CB-CE2 4.31Å; V106-Y108 HydrophobicContact CG1-CD2 4.2Å; V106-Y108 HydrophobicContact CG1-CE1 4.07Å; V106-Y108 HydrophobicContact CG1-CE2 3.54Å; V106-Y108 VanDerWaalsContact CG1-CZ 3.46Å; Y108-Y110 VanDerWaalsContact CB-CE1 3.43Å; Y108-Y110 HydrophobicContact CD1-CE1 4.35Å; Y108-Y110 AromaticContact CG-CE1 3.98Å; Y108-Y110 HydrophobicContact CG-CE1 3.98Å; Y108-Y110 PolarHBondContact O-N 3.36Å; Y108-E111 PolarHBondContact N-OE2 2.79Å; Y108-E111 WeakPolarHBondContact O-CB 3.48Å; Y108-E111 PolarHBondContact O-N 2.87Å; Y108-R166 WeakPolarHBondContact CA-O 3.34Å; Y108-A167 HydrophobicContact CD1-CB 4.13Å; Y108-A167 HydrophobicContact CE1-CB 4.35Å
109D96.8Very high94.3Very high59 Ų5967 Ų6732%0.31636%0.36SS..THydrogen-bonded Turntrans-60.5-29.3-172.763.5-60.1000113.9I165 R166D109-I165 WeakPolarHBondContact CB-O 3.45Å; D109-I165 VanDerWaalsContact CG-O 3.26Å; D109-R166 PolarHBondContact N-O 3.44Å; D109-R166 VanDerWaalsContact OD1-O 3.06Å
110Y93.9Very high94.5Very high85 Ų8566.7 Ų66.733%0.33336%0.359SS..THydrogen-bonded Turntrans-82.5-9.3176.961.7-101.2000114D84 Y108D84-Y110 HydrophobicContact CB-CD1 3.96Å; D84-Y110 HydrophobicContact CB-CE1 3.56Å; D84-Y110 VanDerWaalsContact CG-CD1 3.45Å; Y108-Y110 VanDerWaalsContact CB-CE1 3.43Å; Y108-Y110 HydrophobicContact CD1-CE1 4.35Å; Y108-Y110 AromaticContact CG-CE1 3.98Å; Y108-Y110 HydrophobicContact CG-CE1 3.98Å; Y108-Y110 PolarHBondContact O-N 3.36Å
111E94.7Very high94.7Very high35 Ų3564.3 Ų64.316%0.16434%0.34CS..  trans-79130.3-173.1-70.4-174.3157.300112.7Y108 K119Y108-E111 PolarHBondContact N-OE2 2.79Å; Y108-E111 WeakPolarHBondContact O-CB 3.48Å; Y108-E111 PolarHBondContact O-N 2.87Å; E111-K119 HydrophobicContact CB-CB 4.47Å; E111-K119 HydrophobicContact CB-CD 3.79Å; E111-K119 HydrophobicContact CB-CG 4.03Å; E111-K119 PolarHBondContact O-N 3.15Å; E111-K119 IonicContact OE1-NZ 3.86Å; E111-K119 VanDerWaalsContact OE2-CD 3.31Å; E111-K119 WeakPolarHBondContact OE2-CD 3.44Å; E111-K119 WeakPolarHBondContact OE2-CE 3.46Å; E111-K119 IonicContact OE2-NZ 3.94Å; E111-K119 PolarHBondContact OE2-NZ 2.88Å
112M93.6Very high95.1Very high97 Ų9762.4 Ų62.448%0.47832%0.319SS..BIsolated β-bridgetrans-116.5141.3-179.4-60.5-72.6-9600110.2R116 K117 P118M112-R116 WeakPolarHBondContact CE-O 3.29Å; M112-K117 CarbonylContact C-O 3.57Å; M112-K117 WeakPolarHBondContact CA-O 3.38Å; M112-P118 VanDerWaalsContact SD-CA 3.54Å; M112-P118 HydrophobicContact SD-CB 4.17Å; M112-P118 HydrophobicContact SD-CG 3.94Å
113L88.9Confident95.3Very high76 Ų7664.2 Ų64.240%0.39833%0.326SS..  trans-67.2161166.1-65.2175.1000110.4S115 R116 K117 K119L113-S115 PolarHBondContact O-N 3.43Å; L113-R116 WeakPolarHBondContact O-CA 3.26Å; L113-R116 PolarHBondContact O-N 3.21Å; L113-K117 HydrophobicContact CD1-CB 4.47Å; L113-K117 PolarHBondContact N-O 2.89Å; L113-K119 HydrophobicContact CD2-CG 3.95Å; L113-K119 HydrophobicContact CG-CG 4.21Å
114P91.6Very high95.4Very high136 Ų13660.1 Ų60.188%0.88331%0.31SS*.THydrogen-bonded Turntrans-53.7-27.6173.9-27.835.9000113.8R116P114-R116 PolarHBondContact O-N 3.42Å
115S90.5Very high95.4Very high74 Ų7459 Ų5952%0.51730%0.303SS..THydrogen-bonded Turntrans-72.74.3174.4590000114.8L113 K117L113-S115 PolarHBondContact O-N 3.43Å; S115-K117 PolarHBondContact O-N 3.28Å
116R90.8Very high95.5Very high208 Ų20856.8 Ų56.879%0.78529%0.291SS*.SBendtrans59.620.3-172.8-55.9-69.5-169165.21.9113.7M112 L113 P114M112-R116 WeakPolarHBondContact CE-O 3.29Å; L113-R116 WeakPolarHBondContact O-CA 3.26Å; L113-R116 PolarHBondContact O-N 3.21Å; P114-R116 PolarHBondContact O-N 3.42Å
117K90.9Very high95.5Very high82 Ų8257.7 Ų57.736%0.35729%0.293SS..  trans-88.8143.3167.4-66.5-174.7177.9-174.20109.5S41 L42 M112 L113 S115S41-K117 PolarHBondContact OG-NZ 3.46Å; L42-K117 HydrophobicContact CD2-CD 4.15Å; M112-K117 CarbonylContact C-O 3.57Å; M112-K117 WeakPolarHBondContact CA-O 3.38Å; L113-K117 HydrophobicContact CD1-CB 4.47Å; L113-K117 PolarHBondContact N-O 2.89Å; S115-K117 PolarHBondContact O-N 3.28Å
118P94.2Very high95.5Very high48 Ų4856.8 Ų56.831%0.31229%0.287SS..BIsolated β-bridgetrans-55.1144.4169.2-23.433.9000110.6M112 F120 L121M112-P118 VanDerWaalsContact SD-CA 3.54Å; M112-P118 HydrophobicContact SD-CB 4.17Å; M112-P118 HydrophobicContact SD-CG 3.94Å; P118-F120 VanDerWaalsContact CB-O 3.31Å; P118-F120 WeakPolarHBondContact CB-O 3.41Å; P118-F120 PolarHBondContact O-N 3.37Å; P118-L121 HydrophobicContact CB-CD2 4.27Å; P118-L121 HydrophobicContact CG-CD2 4.08Å
119K96.1Very high95.5Very high79 Ų7957.1 Ų57.134%0.34329%0.29SS..SBendtrans-61.2-31.1173.5-78.3-165.9-175.3171.90112.3E111 L113E111-K119 HydrophobicContact CB-CB 4.47Å; E111-K119 HydrophobicContact CB-CD 3.79Å; E111-K119 HydrophobicContact CB-CG 4.03Å; E111-K119 PolarHBondContact O-N 3.15Å; E111-K119 IonicContact OE1-NZ 3.86Å; E111-K119 VanDerWaalsContact OE2-CD 3.31Å; E111-K119 WeakPolarHBondContact OE2-CD 3.44Å; E111-K119 WeakPolarHBondContact OE2-CE 3.46Å; E111-K119 IonicContact OE2-NZ 3.94Å; E111-K119 PolarHBondContact OE2-NZ 2.88Å; L113-K119 HydrophobicContact CD2-CG 3.95Å; L113-K119 HydrophobicContact CG-CG 4.21Å
120F97.8Very high95.6Very high7 Ų755 Ų553%0.03128%0.282CS..SBendtrans-150.6158.2170.375.6-71.6000110.2Y34 L44 S107 P118 A122 A125 M168Y34-F120 WeakPolarHBondContact OH-CA 3.43Å; L44-F120 HydrophobicContact CD2-CB 4.34Å; S107-F120 VanDerWaalsContact O-CE1 3.27Å; S107-F120 WeakPolarHBondContact O-CE1 3.22Å; P118-F120 VanDerWaalsContact CB-O 3.31Å; P118-F120 WeakPolarHBondContact CB-O 3.41Å; P118-F120 PolarHBondContact O-N 3.37Å; F120-A122 VanDerWaalsContact CE2-CA 3.47Å; F120-A122 HydrophobicContact CE2-CB 3.86Å; F120-A122 HydrophobicContact CZ-CB 4.13Å; F120-A122 PolarHBondContact O-N 3.43Å; F120-A125 HydrophobicContact CD2-CB 4.13Å; F120-A125 HydrophobicContact CE2-CB 4.29Å; F120-M168 HydrophobicContact CD1-CB 4.16Å; F120-M168 HydrophobicContact CD2-CB 3.74Å; F120-M168 HydrophobicContact CD2-CE 4.38Å; F120-M168 HydrophobicContact CE1-CB 4.14Å; F120-M168 HydrophobicContact CE2-CB 3.68Å; F120-M168 HydrophobicContact CG-CB 3.98Å; F120-M168 HydrophobicContact CZ-CB 3.91Å
121L98.2Very high95.8Very high53 Ų5351 Ų5128%0.27727%0.267SS..  trans-89.198.4173.2-67.1-163.9000110.5Y34 L38 L42 P118 Q123 S124 A125Y34-L121 HydrophobicContact CE2-CB 4.35Å; Y34-L121 PolarHBondContact OH-N 3.29Å; L38-L121 HydrophobicContact CD1-CB 4.4Å; L38-L121 HydrophobicContact CD1-CD1 4.41Å; L38-L121 HydrophobicContact CD1-CG 4.47Å; L38-L121 HydrophobicContact CD2-CD1 3.74Å; L42-L121 HydrophobicContact CD1-CD1 3.77Å; L42-L121 HydrophobicContact CD1-CG 4.24Å; P118-L121 HydrophobicContact CB-CD2 4.27Å; P118-L121 HydrophobicContact CG-CD2 4.08Å; L121-Q123 VanDerWaalsContact C-N 3.34Å; L121-Q123 PolarHBondContact O-N 2.91Å; L121-S124 PolarHBondContact O-N 2.98Å; L121-A125 PolarHBondContact O-N 3.24Å
122A98.4Very high96Very high21 Ų2149.3 Ų49.317%0.17426%0.259CS..Hα-helixtrans-52.9-46.7-174.600000113.9F120 A125 A126 I165F120-A122 VanDerWaalsContact CE2-CA 3.47Å; F120-A122 HydrophobicContact CE2-CB 3.86Å; F120-A122 HydrophobicContact CZ-CB 4.13Å; F120-A122 PolarHBondContact O-N 3.43Å; A122-A125 WeakPolarHBondContact O-CB 3.29Å; A122-A125 PolarHBondContact O-N 3.15Å; A122-A126 PolarHBondContact O-N 2.91Å; A122-I165 HydrophobicContact CB-CB 4.05Å; A122-I165 HydrophobicContact CB-CD1 4.3Å; A122-I165 HydrophobicContact CB-CG2 3.76Å
123Q98.7Very high96.2Very high60 Ų6046.8 Ų46.828%0.2825%0.245SC..Hα-helixtrans-64.5-43.3-178-66.2176.1-61.200112.5L121 A126 H127 Y134 G152 C154 I165L121-Q123 VanDerWaalsContact C-N 3.34Å; L121-Q123 PolarHBondContact O-N 2.91Å; Q123-A126 PolarHBondContact O-N 2.85Å; Q123-H127 WeakPolarHBondContact O-CB 3.2Å; Q123-H127 PolarHBondContact O-N 3.31Å; Q123-Y134 HydrophobicContact CB-CD1 4.13Å; Q123-Y134 HydrophobicContact CB-CD2 3.7Å; Q123-Y134 HydrophobicContact CB-CE1 4.14Å; Q123-Y134 HydrophobicContact CB-CE2 3.7Å; Q123-Y134 HydrophobicContact CB-CG 3.94Å; Q123-Y134 HydrophobicContact CG-CD2 4.22Å; Q123-Y134 HydrophobicContact CG-CE2 4.04Å; Q123-Y134 PolarHBondContact OE1-OH 3.18Å; Q123-G152 PolarHBondContact NE2-O 3.49Å; Q123-C154 VanDerWaalsContact CB-SG 3.54Å; Q123-I165 HydrophobicContact CG-CD1 4.19Å
124S98.5Very high96.7Very high15 Ų1544.7 Ų44.711%0.10523%0.232CC..Hα-helixtrans-63-43.6175.3-56.60000111.6L121 A126 H127 V128L121-S124 PolarHBondContact O-N 2.98Å; S124-A126 PolarHBondContact O-N 3.31Å; S124-H127 PolarHBondContact O-N 3.27Å; S124-V128 WeakPolarHBondContact O-CG1 3.48Å; S124-V128 WeakPolarHBondContact O-CG2 3.41Å; S124-V128 PolarHBondContact O-N 3.25Å
125A98.6Very high97.1Very high0 Ų038.3 Ų38.30%019%0.19CC..Hα-helixtrans-58.9-47.3175.700000112.5Y34 V54 F120 L121 A122 H127 V128 A129 M168Y34-A125 HydrophobicContact CD2-CB 3.88Å; Y34-A125 HydrophobicContact CE2-CB 4.13Å; V54-A125 HydrophobicContact CG2-CB 4.32Å; F120-A125 HydrophobicContact CD2-CB 4.13Å; F120-A125 HydrophobicContact CE2-CB 4.29Å; L121-A125 PolarHBondContact O-N 3.24Å; A122-A125 WeakPolarHBondContact O-CB 3.29Å; A122-A125 PolarHBondContact O-N 3.15Å; A125-H127 VanDerWaalsContact C-N 3.3Å; A125-H127 PolarHBondContact O-N 3.04Å; A125-V128 WeakPolarHBondContact O-CG2 3.39Å; A125-A129 VanDerWaalsContact O-CB 3.29Å; A125-A129 WeakPolarHBondContact O-CB 3.39Å; A125-A129 PolarHBondContact O-N 3.01Å; A125-A129 VanDerWaalsContact O-N 3.14Å; A125-M168 HydrophobicContact CB-CE 3.3Å
126A98.8Very high97.4Very high0 Ų038.2 Ų38.20%018%0.182CC..Hα-helixtrans-66.6-32.717900000112.8V54 L56 A122 Q123 S124 A131 V132 I165V54-A126 HydrophobicContact CG2-CB 4.3Å; L56-A126 HydrophobicContact CD1-CB 4.38Å; A122-A126 PolarHBondContact O-N 2.91Å; Q123-A126 PolarHBondContact O-N 2.85Å; S124-A126 PolarHBondContact O-N 3.31Å; A126-A131 WeakPolarHBondContact O-CB 3.41Å; A126-A131 PolarHBondContact O-N 3.25Å; A126-A131 VanDerWaalsContact O-N 3.09Å; A126-V132 HydrophobicContact CB-CG2 3.51Å; A126-V132 PolarHBondContact O-N 3.43Å; A126-I165 HydrophobicContact CB-CD1 3.53Å; A126-I165 HydrophobicContact CB-CG1 3.92Å; A126-I165 HydrophobicContact CB-CG2 4.48Å
127H98.8Very high97.7Very high48 Ų4831.4 Ų31.422%0.22216%0.156CC..Hα-helixtrans-66.6-53.7174.7-172.185.5000112.7Q123 S124 A125 A129 G130 V132 Y133 Y134 P185Q123-H127 WeakPolarHBondContact O-CB 3.2Å; Q123-H127 PolarHBondContact O-N 3.31Å; S124-H127 PolarHBondContact O-N 3.27Å; A125-H127 VanDerWaalsContact C-N 3.3Å; A125-H127 PolarHBondContact O-N 3.04Å; H127-A129 PolarHBondContact O-N 3.02Å; H127-G130 PolarHBondContact O-N 2.9Å; H127-V132 VanDerWaalsContact CA-O 3.29Å; H127-V132 WeakPolarHBondContact CA-O 3.21Å; H127-Y133 AromaticContact CE1-CD2 3.91Å; H127-Y133 AromaticContact CE1-CE2 3.96Å; H127-Y134 PolarHBondContact ND1-N 3Å; H127-P185 WeakPolarHBondContact CE1-CG 3.16Å; H127-P185 WeakPolarHBondContact ND1-CG 3.37Å; H127-P185 WeakPolarHBondContact O-CD 3.44Å; H127-P185 WeakPolarHBondContact O-CG 3.3Å
128V98.6Very high97.9Very high4 Ų432 Ų322%0.02417%0.17CC..Hα-helixtrans-70.4-21-175.8-58.40000113L29 W33 V37 S124 A125 G130 Q182L29-V128 HydrophobicContact CD1-CG2 3.96Å; W33-V128 HydrophobicContact CB-CB 4.19Å; W33-V128 HydrophobicContact CB-CG2 4.27Å; W33-V128 WeakPolarHBondContact O-CG1 3.5Å; V37-V128 HydrophobicContact CB-CG1 4.46Å; V37-V128 HydrophobicContact CG1-CG1 3.89Å; V37-V128 HydrophobicContact CG2-CG1 3.71Å; S124-V128 WeakPolarHBondContact O-CG1 3.48Å; S124-V128 WeakPolarHBondContact O-CG2 3.41Å; S124-V128 PolarHBondContact O-N 3.25Å; A125-V128 WeakPolarHBondContact O-CG2 3.39Å; V128-G130 PolarHBondContact O-N 3.2Å; V128-Q182 PolarHBondContact O-NE2 2.99Å; V128-Q182 VanDerWaalsContact O-NE2 3.11Å
129A98.1Very high98Very high12 Ų1231.7 Ų31.710%0.09917%0.166CC..THydrogen-bonded Turntrans-76.8-4.8170.500000113.5L29 V54 A125 H127 A131L29-A129 HydrophobicContact CB-CB 4.03Å; L29-A129 HydrophobicContact CD2-CB 4.07Å; V54-A129 HydrophobicContact CG1-CB 3.59Å; A125-A129 VanDerWaalsContact O-CB 3.29Å; A125-A129 WeakPolarHBondContact O-CB 3.39Å; A125-A129 PolarHBondContact O-N 3.01Å; A125-A129 VanDerWaalsContact O-N 3.14Å; H127-A129 PolarHBondContact O-N 3.02Å; A129-A131 VanDerWaalsContact C-N 3.26Å; A129-A131 PolarHBondContact O-N 3.36Å
130G98.3Very high98.1Very high14 Ų1428.2 Ų28.214%0.14415%0.151CC..THydrogen-bonded Turntrans76.58.1-179.400000114.7H127 V128 T183H127-G130 PolarHBondContact O-N 2.9Å; V128-G130 PolarHBondContact O-N 3.2Å; G130-T183 WeakPolarHBondContact CA-O 3.29Å
131A98.1Very high97.8Very high2 Ų234.3 Ų34.32%0.01718%0.183CC..SBendtrans-72-47-175.500000112.1Y27 L56 A126 A129Y27-A131 HydrophobicContact CD1-CB 3.75Å; Y27-A131 HydrophobicContact CD2-CB 3.42Å; Y27-A131 VanDerWaalsContact CD2-CB 3.42Å; Y27-A131 HydrophobicContact CE1-CB 3.97Å; Y27-A131 HydrophobicContact CE2-CB 3.66Å; Y27-A131 HydrophobicContact CG-CB 3.47Å; Y27-A131 VanDerWaalsContact CG-CB 3.47Å; L56-A131 HydrophobicContact CD1-CB 4.5Å; L56-A131 HydrophobicContact CD2-CB 4.24Å; A126-A131 WeakPolarHBondContact O-CB 3.41Å; A126-A131 PolarHBondContact O-N 3.25Å; A126-A131 VanDerWaalsContact O-N 3.09Å; A129-A131 VanDerWaalsContact C-N 3.26Å; A129-A131 PolarHBondContact O-N 3.36Å
132V98.8Very high97.6Very high0 Ų038.1 Ų38.10%020%0.204CC..SBendtrans-147.7142.8-170.6-61.60000110.3L56 A126 H127 C154 H156 F163 P185L56-V132 HydrophobicContact CD2-CG1 3.82Å; A126-V132 HydrophobicContact CB-CG2 3.51Å; A126-V132 PolarHBondContact O-N 3.43Å; H127-V132 VanDerWaalsContact CA-O 3.29Å; H127-V132 WeakPolarHBondContact CA-O 3.21Å; V132-C154 HydrophobicContact CB-CB 4.09Å; V132-C154 HydrophobicContact CG2-CB 3.55Å; V132-H156 HydrophobicContact CG1-CB 3.83Å; V132-F163 HydrophobicContact CB-CZ 4.13Å; V132-F163 HydrophobicContact CG1-CE1 4.31Å; V132-F163 HydrophobicContact CG1-CE2 3.82Å; V132-F163 HydrophobicContact CG1-CZ 3.64Å; V132-F163 HydrophobicContact CG2-CE2 4.38Å; V132-F163 HydrophobicContact CG2-CZ 4.16Å; V132-P185 VanDerWaalsContact C-CB 3.43Å; V132-P185 WeakPolarHBondContact O-CB 3.23Å
133Y98.8Very high97.4Very high44 Ų4439.3 Ų39.317%0.17321%0.206CC..EExtended strand (participates in β ladder)trans-78.7135.9173.8-163-71.8000109.2H127 Y135 C154 I155 P185 D187H127-Y133 AromaticContact CE1-CD2 3.91Å; H127-Y133 AromaticContact CE1-CE2 3.96Å; Y133-Y135 AromaticContact CD1-CD1 3.64Å; Y133-Y135 HydrophobicContact CD1-CD1 3.64Å; Y133-Y135 AromaticContact CD1-CD2 3.89Å; Y133-Y135 HydrophobicContact CD1-CD2 3.89Å; Y133-Y135 AromaticContact CD1-CE1 3.47Å; Y133-Y135 HydrophobicContact CD1-CE1 3.47Å; Y133-Y135 VanDerWaalsContact CD1-CE1 3.47Å; Y133-Y135 AromaticContact CD1-CE2 3.7Å; Y133-Y135 HydrophobicContact CD1-CE2 3.7Å; Y133-Y135 AromaticContact CD1-CG 3.85Å; Y133-Y135 HydrophobicContact CD1-CG 3.85Å; Y133-Y135 AromaticContact CD1-CZ 3.5Å; Y133-Y135 AromaticContact CE1-CD1 3.82Å; Y133-Y135 HydrophobicContact CE1-CD1 3.82Å; Y133-Y135 AromaticContact CE1-CE1 3.85Å; Y133-Y135 HydrophobicContact CE1-CE1 3.85Å; Y133-Y135 HydrophobicContact CE1-CG 4.31Å; Y133-Y135 HydrophobicContact CG-CE1 4.08Å; Y133-Y135 HydrophobicContact CG-CE2 4.04Å; Y133-Y135 AromaticContact CG-CZ 3.76Å; Y133-C154 CarbonylContact O-C 3.59Å; Y133-C154 WeakPolarHBondContact O-CA 3.36Å; Y133-I155 PolarHBondContact N-O 2.99Å; Y133-I155 PolarHBondContact O-N 3.21Å; Y133-P185 HydrophobicContact CD2-CG 4.11Å; Y133-D187 HydrophobicContact CD2-CB 4.04Å; Y133-D187 HydrophobicContact CE2-CB 4.14Å
134Y98.8Very high97.3Very high32 Ų3240.3 Ų40.313%0.12522%0.217CC..EExtended strand (participates in β ladder)trans-104.996.4-179176.5-142.8000108.4Q123 H127 Q136 G152 C154Q123-Y134 HydrophobicContact CB-CD1 4.13Å; Q123-Y134 HydrophobicContact CB-CD2 3.7Å; Q123-Y134 HydrophobicContact CB-CE1 4.14Å; Q123-Y134 HydrophobicContact CB-CE2 3.7Å; Q123-Y134 HydrophobicContact CB-CG 3.94Å; Q123-Y134 HydrophobicContact CG-CD2 4.22Å; Q123-Y134 HydrophobicContact CG-CE2 4.04Å; Q123-Y134 PolarHBondContact OE1-OH 3.18Å; H127-Y134 PolarHBondContact ND1-N 3Å; Y134-Q136 HydrophobicContact CD1-CG 3.73Å; Y134-Q136 HydrophobicContact CD2-CG 4.24Å; Y134-Q136 HydrophobicContact CE1-CG 3.45Å; Y134-Q136 VanDerWaalsContact CE1-CG 3.45Å; Y134-Q136 VanDerWaalsContact CE1-OE1 3.25Å; Y134-Q136 HydrophobicContact CE2-CG 4Å; Y134-Q136 HydrophobicContact CG-CG 4.11Å; Y134-G152 VanDerWaalsContact CE2-C 3.41Å; Y134-C154 VanDerWaalsContact CB-SG 3.59Å; Y134-C154 VanDerWaalsContact CD2-SG 3.59Å
135Y98.8Very high97.2Very high1 Ų140.7 Ų40.70%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-78.3124.4-178.8-60.5-86.2000109.5Y133 D139 G152 V153 I155 D187 C188 V189 R195 L198Y133-Y135 AromaticContact CD1-CD1 3.64Å; Y133-Y135 HydrophobicContact CD1-CD1 3.64Å; Y133-Y135 AromaticContact CD1-CD2 3.89Å; Y133-Y135 HydrophobicContact CD1-CD2 3.89Å; Y133-Y135 AromaticContact CD1-CE1 3.47Å; Y133-Y135 HydrophobicContact CD1-CE1 3.47Å; Y133-Y135 VanDerWaalsContact CD1-CE1 3.47Å; Y133-Y135 AromaticContact CD1-CE2 3.7Å; Y133-Y135 HydrophobicContact CD1-CE2 3.7Å; Y133-Y135 AromaticContact CD1-CG 3.85Å; Y133-Y135 HydrophobicContact CD1-CG 3.85Å; Y133-Y135 AromaticContact CD1-CZ 3.5Å; Y133-Y135 AromaticContact CE1-CD1 3.82Å; Y133-Y135 HydrophobicContact CE1-CD1 3.82Å; Y133-Y135 AromaticContact CE1-CE1 3.85Å; Y133-Y135 HydrophobicContact CE1-CE1 3.85Å; Y133-Y135 HydrophobicContact CE1-CG 4.31Å; Y133-Y135 HydrophobicContact CG-CE1 4.08Å; Y133-Y135 HydrophobicContact CG-CE2 4.04Å; Y133-Y135 AromaticContact CG-CZ 3.76Å; Y135-D139 WeakPolarHBondContact CA-OD2 3.23Å; Y135-G152 CarbonylContact O-C 3.48Å; Y135-G152 WeakPolarHBondContact O-CA 3.21Å; Y135-V153 PolarHBondContact N-O 3.41Å; Y135-V153 PolarHBondContact O-N 2.91Å; Y135-I155 HydrophobicContact CD2-CB 4.3Å; Y135-I155 HydrophobicContact CD2-CG1 3.92Å; Y135-I155 HydrophobicContact CE2-CB 3.82Å; Y135-I155 HydrophobicContact CE2-CG1 3.9Å; Y135-D187 WeakPolarHBondContact CE1-OD1 3.36Å; Y135-D187 PolarHBondContact OH-OD1 3.37Å; Y135-C188 PolarHBondContact OH-N 2.81Å; Y135-C188 PolarHBondContact OH-SG 2.85Å; Y135-V189 HydrophobicContact CD1-CB 4.48Å; Y135-V189 HydrophobicContact CE1-CB 3.75Å; Y135-V189 WeakPolarHBondContact CE1-O 3.44Å; Y135-V189 HydrophobicContact CE2-CB 4.22Å; Y135-V189 HydrophobicContact CE2-CG2 4.12Å; Y135-V189 PolarHBondContact OH-N 3.32Å; Y135-R195 HydrophobicContact CD1-CG 3.9Å; Y135-R195 HydrophobicContact CE1-CG 4.29Å; Y135-L198 HydrophobicContact CD2-CD2 3.69Å; Y135-L198 HydrophobicContact CE2-CD2 4.37Å; Y135-L198 HydrophobicContact CG-CD2 3.85Å
136Q98.2Very high96.9Very high73 Ų7342.7 Ų42.734%0.34124%0.237SC..  trans-123.6162.2-176.9-66-179.39300110.6Y134 S138 D139Y134-Q136 HydrophobicContact CD1-CG 3.73Å; Y134-Q136 HydrophobicContact CD2-CG 4.24Å; Y134-Q136 HydrophobicContact CE1-CG 3.45Å; Y134-Q136 VanDerWaalsContact CE1-CG 3.45Å; Y134-Q136 VanDerWaalsContact CE1-OE1 3.25Å; Y134-Q136 HydrophobicContact CE2-CG 4Å; Y134-Q136 HydrophobicContact CG-CG 4.11Å; Q136-S138 WeakPolarHBondContact CB-OG 3.27Å; Q136-S138 PolarHBondContact O-N 3.2Å; Q136-S138 VanDerWaalsContact O-N 3.13Å; Q136-D139 PolarHBondContact N-OD2 3.05Å; Q136-D139 WeakPolarHBondContact O-CB 3.16Å; Q136-D139 PolarHBondContact O-N 3.1Å
137R97.1Very high96.6Very high65 Ų6551.4 Ų51.425%0.24528%0.278CS..G310 helixtrans-53.9-32.6173.1177.9174.7162.9178.7-13.3112.5D139 I140 H143 W145 G146 K148 M150R137-D139 PolarHBondContact O-N 2.96Å; R137-I140 PolarHBondContact O-N 2.67Å; R137-H143 VanDerWaalsContact CZ-NE2 3.26Å; R137-H143 PolarHBondContact NE-CD2 2.76Å; R137-H143 PolarHBondContact NE-CE1 2.89Å; R137-H143 PolarHBondContact NE-NE2 2.89Å; R137-H143 PolarHBondContact NH2-CE1 3.24Å; R137-H143 PolarHBondContact NH2-NE2 2.99Å; R137-W145 HydrophobicContact CG-CE3 4.15Å; R137-W145 HydrophobicContact CG-CZ3 4.22Å; R137-G146 PolarHBondContact NH1-O 3.05Å; R137-G146 PolarHBondContact NH2-O 2.93Å; R137-K148 PolarHBondContact NH1-O 3.36Å; R137-M150 HydrophobicContact CB-CB 4.38Å
138S95.3Very high96.4Very high93 Ų9354.2 Ų54.265%0.6529%0.29SS*.G310 helixtrans-68-17.1176.851.30000114.3Q136 I140Q136-S138 WeakPolarHBondContact CB-OG 3.27Å; Q136-S138 PolarHBondContact O-N 3.2Å; Q136-S138 VanDerWaalsContact O-N 3.13Å; S138-I140 PolarHBondContact O-N 2.9Å
139D95.9Very high96.2Very high43 Ų4361.2 Ų61.223%0.2332%0.32CS..G310 helixtrans-84.21.5-179.7-57.1-33.7000112.8Y135 Q136 R137 R195Y135-D139 WeakPolarHBondContact CA-OD2 3.23Å; Q136-D139 PolarHBondContact N-OD2 3.05Å; Q136-D139 WeakPolarHBondContact O-CB 3.16Å; Q136-D139 PolarHBondContact O-N 3.1Å; R137-D139 PolarHBondContact O-N 2.96Å; D139-R195 PolarHBondContact O-NH1 3.01Å
140I96.8Very high96.2Very high6 Ų661.3 Ų61.33%0.03132%0.318CS..SBendtrans-124.6105.1-178.1-60162.1000108.6R137 S138 H143 W145 R192 R195 I196 L199R137-I140 PolarHBondContact O-N 2.67Å; S138-I140 PolarHBondContact O-N 2.9Å; I140-H143 HydrophobicContact CB-CB 4.23Å; I140-H143 HydrophobicContact CG2-CB 3.81Å; I140-W145 HydrophobicContact CD1-CH2 3.38Å; I140-W145 HydrophobicContact CD1-CZ3 3.78Å; I140-R192 HydrophobicContact CG2-CG 4.04Å; I140-R195 HydrophobicContact CD1-CB 3.73Å; I140-R195 HydrophobicContact CG1-CB 3.75Å; I140-I196 HydrophobicContact CD1-CG1 4.02Å; I140-I196 HydrophobicContact CG2-CD1 4.17Å; I140-I196 HydrophobicContact CG2-CG1 3.91Å; I140-L199 HydrophobicContact CD1-CD1 3.82Å
141L93Very high96.1Very high135 Ų13566.3 Ų66.371%0.70734%0.336SS*.THydrogen-bonded Turntrans-63.7138.8171.2-169.668.1000110.1H143 R192L141-H143 VanDerWaalsContact C-N 3.3Å; L141-H143 PolarHBondContact O-N 3.12Å; L141-R192 PolarHBondContact O-NE 3.46Å
142D93Very high96.2Very high133 Ų13366.4 Ų66.471%0.71134%0.337SS*.THydrogen-bonded Turntrans4949.5179.3-55.8-38.8000112.6R192D142-R192 PolarHBondContact O-NH2 3.35Å
143H95.3Very high96.2Very high46 Ų4666.7 Ų66.721%0.21334%0.339CS..  trans-60.5150.7-179.266.357.6000112R137 I140 L141 W145 G146R137-H143 VanDerWaalsContact CZ-NE2 3.26Å; R137-H143 PolarHBondContact NE-CD2 2.76Å; R137-H143 PolarHBondContact NE-CE1 2.89Å; R137-H143 PolarHBondContact NE-NE2 2.89Å; R137-H143 PolarHBondContact NH2-CE1 3.24Å; R137-H143 PolarHBondContact NH2-NE2 2.99Å; I140-H143 HydrophobicContact CB-CB 4.23Å; I140-H143 HydrophobicContact CG2-CB 3.81Å; L141-H143 VanDerWaalsContact C-N 3.3Å; L141-H143 PolarHBondContact O-N 3.12Å; H143-W145 VanDerWaalsContact C-N 3.29Å; H143-W145 HydrophobicContact CB-CD2 4.36Å; H143-W145 HydrophobicContact CB-CE3 3.55Å; H143-W145 HydrophobicContact CB-CZ3 3.69Å; H143-W145 AromaticContact CG-CE3 3.71Å; H143-W145 AromaticContact ND1-CE3 3.92Å; H143-W145 PolarHBondContact ND1-N 2.94Å; H143-W145 PolarHBondContact O-N 3.48Å; H143-G146 PolarHBondContact CE1-O 3.49Å
144P95.6Very high96.2Very high80 Ų8064.9 Ų64.952%0.51933%0.333SS..THydrogen-bonded Turntrans-79.5-4.1-17331.5-35.5000114.8G146 I196P144-G146 PolarHBondContact O-N 3.29Å; P144-I196 HydrophobicContact CG-CD1 4.3Å; P144-I196 HydrophobicContact CG-CG2 4.09Å
145W96.3Very high96.2Very high23 Ų2363.4 Ų63.49%0.08733%0.327CS..THydrogen-bonded Turntrans-86.9-1.2-166.1-51.8-55.3000116.5R137 I140 H143 E147 K148 M150 I196 L199 E200R137-W145 HydrophobicContact CG-CE3 4.15Å; R137-W145 HydrophobicContact CG-CZ3 4.22Å; I140-W145 HydrophobicContact CD1-CH2 3.38Å; I140-W145 HydrophobicContact CD1-CZ3 3.78Å; H143-W145 VanDerWaalsContact C-N 3.29Å; H143-W145 HydrophobicContact CB-CD2 4.36Å; H143-W145 HydrophobicContact CB-CE3 3.55Å; H143-W145 HydrophobicContact CB-CZ3 3.69Å; H143-W145 AromaticContact CG-CE3 3.71Å; H143-W145 AromaticContact ND1-CE3 3.92Å; H143-W145 PolarHBondContact ND1-N 2.94Å; H143-W145 PolarHBondContact O-N 3.48Å; W145-E147 PolarHBondContact O-N 3.42Å; W145-K148 HydrophobicContact CB-CB 4.26Å; W145-K148 WeakPolarHBondContact O-CB 3.35Å; W145-K148 PolarHBondContact O-N 3.05Å; W145-M150 HydrophobicContact CB-CG 4.1Å; W145-M150 HydrophobicContact CD2-CE 4.17Å; W145-M150 HydrophobicContact CD2-CG 3.58Å; W145-M150 HydrophobicContact CD2-SD 4.26Å; W145-M150 HydrophobicContact CE3-CB 4.3Å; W145-M150 HydrophobicContact CE3-CG 3.64Å; W145-M150 HydrophobicContact CG-CG 3.79Å; W145-M150 HydrophobicContact CG-SD 4.16Å; W145-M150 HydrophobicContact CZ2-CE 4.08Å; W145-M150 HydrophobicContact CZ3-CG 4.29Å; W145-I196 HydrophobicContact CH2-CG1 4.31Å; W145-I196 HydrophobicContact CZ2-CB 4.25Å; W145-I196 HydrophobicContact CZ2-CG1 4.28Å; W145-I196 HydrophobicContact CZ2-CG2 3.95Å; W145-L199 HydrophobicContact CH2-CB 3.68Å; W145-L199 HydrophobicContact CH2-CD1 3.65Å; W145-L199 HydrophobicContact CH2-CG 4.18Å; W145-L199 HydrophobicContact CZ2-CB 3.94Å; W145-L199 HydrophobicContact CZ3-CD1 3.89Å; W145-E200 HydrophobicContact CZ2-CG 4Å; W145-E200 PolarHBondContact NE1-OE1 2.95Å
146G93.2Very high96.2Very high43 Ų4363.4 Ų63.444%0.44333%0.327SS..THydrogen-bonded Turntrans51.9-128.7-176.500000112.1R137 H143 P144 K148R137-G146 PolarHBondContact NH1-O 3.05Å; R137-G146 PolarHBondContact NH2-O 2.93Å; H143-G146 PolarHBondContact CE1-O 3.49Å; P144-G146 PolarHBondContact O-N 3.29Å; G146-K148 VanDerWaalsContact C-N 3.3Å; G146-K148 PolarHBondContact O-N 3.45Å
147E92.8Very high96.2Very high182 Ų18262.2 Ų62.285%0.8533%0.326SS*.THydrogen-bonded Turntrans-79.5-6.2178.2-64-54.5134.700114.4W145 K149W145-E147 PolarHBondContact O-N 3.42Å; E147-K149 PolarHBondContact O-N 3.33Å
148K94Very high96.2Very high108 Ų10865.9 Ų65.947%0.4734%0.34SS..  trans-63.6124.4-176-175.2179.8179.3178.60110.8R137 W145 G146 M150R137-K148 PolarHBondContact NH1-O 3.36Å; W145-K148 HydrophobicContact CB-CB 4.26Å; W145-K148 WeakPolarHBondContact O-CB 3.35Å; W145-K148 PolarHBondContact O-N 3.05Å; G146-K148 VanDerWaalsContact C-N 3.3Å; G146-K148 PolarHBondContact O-N 3.45Å; K148-M150 HydrophobicContact CD-SD 4.4Å; K148-M150 HydrophobicContact CG-SD 4.48Å; K148-M150 PolarHBondContact O-N 2.85Å
149K94.7Very high96.4Very high150 Ų15061.7 Ų61.765%0.65231%0.31SS*.  trans-64.9127.4175.6-172.4175.5-176.8178.90110E147 F151E147-K149 PolarHBondContact O-N 3.33Å; K149-F151 HydrophobicContact CD-CE1 4.24Å; K149-F151 HydrophobicContact CD-CE2 4.48Å; K149-F151 HydrophobicContact CD-CZ 3.98Å; K149-F151 VanDerWaalsContact CE-CE1 3.42Å
150M97.1Very high96.5Very high14 Ų1459.7 Ų59.77%0.06930%0.299CS..  trans-120.6119.5173.7-63-61.7-72.400108.1R137 W145 K148 L199 E200 N203R137-M150 HydrophobicContact CB-CB 4.38Å; W145-M150 HydrophobicContact CB-CG 4.1Å; W145-M150 HydrophobicContact CD2-CE 4.17Å; W145-M150 HydrophobicContact CD2-CG 3.58Å; W145-M150 HydrophobicContact CD2-SD 4.26Å; W145-M150 HydrophobicContact CE3-CB 4.3Å; W145-M150 HydrophobicContact CE3-CG 3.64Å; W145-M150 HydrophobicContact CG-CG 3.79Å; W145-M150 HydrophobicContact CG-SD 4.16Å; W145-M150 HydrophobicContact CZ2-CE 4.08Å; W145-M150 HydrophobicContact CZ3-CG 4.29Å; K148-M150 HydrophobicContact CD-SD 4.4Å; K148-M150 HydrophobicContact CG-SD 4.48Å; K148-M150 PolarHBondContact O-N 2.85Å; M150-L199 HydrophobicContact CE-CB 4.06Å; M150-L199 WeakPolarHBondContact CE-O 3.3Å; M150-E200 HydrophobicContact CE-CG 4.41Å; M150-N203 HydrophobicContact CE-CB 3.65Å; M150-N203 HydrophobicContact SD-CB 4.1Å
151F97.5Very high96.6Very high119 Ų11959.5 Ų59.552%0.52230%0.299SS..  trans-76.3140.7173.9-63.1-82000109.5K149 F202 N203K149-F151 HydrophobicContact CD-CE1 4.24Å; K149-F151 HydrophobicContact CD-CE2 4.48Å; K149-F151 HydrophobicContact CD-CZ 3.98Å; K149-F151 VanDerWaalsContact CE-CE1 3.42Å; F151-F202 HydrophobicContact CB-CE1 4.13Å; F151-N203 WeakPolarHBondContact CB-OD1 3.47Å; F151-N203 WeakPolarHBondContact CD2-OD1 3.37Å; F151-N203 PolarHBondContact N-OD1 3.33Å; F151-N203 PolarHBondContact O-ND2 3.04Å
152G98.4Very high96.9Very high4 Ų453.2 Ų53.24%0.04127%0.266CS..  trans-74.8165.1175.400000112.3Q123 Y134 Y135 F202Q123-G152 PolarHBondContact NE2-O 3.49Å; Y134-G152 VanDerWaalsContact CE2-C 3.41Å; Y135-G152 CarbonylContact O-C 3.48Å; Y135-G152 WeakPolarHBondContact O-CA 3.21Å; G152-F202 WeakPolarHBondContact O-CE1 3.21Å
153V98.8Very high97.1Very high6 Ų647.6 Ų47.64%0.03624%0.235CC..EExtended strand (participates in β ladder)trans-141.6142.4179.3670000110.5Y135 L198 L199 F202 Y211Y135-V153 PolarHBondContact N-O 3.41Å; Y135-V153 PolarHBondContact O-N 2.91Å; V153-L198 HydrophobicContact CG1-CD1 3.63Å; V153-L198 HydrophobicContact CG1-CD2 3.85Å; V153-L198 HydrophobicContact CG1-CG 3.6Å; V153-L199 HydrophobicContact CG1-CD2 3.95Å; V153-F202 HydrophobicContact CB-CB 4.26Å; V153-F202 HydrophobicContact CB-CD1 3.74Å; V153-F202 HydrophobicContact CB-CD2 4.08Å; V153-F202 HydrophobicContact CB-CE1 4.05Å; V153-F202 HydrophobicContact CB-CE2 4.37Å; V153-F202 HydrophobicContact CB-CG 3.75Å; V153-F202 HydrophobicContact CB-CZ 4.36Å; V153-F202 HydrophobicContact CG1-CB 4.23Å; V153-F202 HydrophobicContact CG1-CD1 4.44Å; V153-F202 HydrophobicContact CG1-CG 4.27Å; V153-F202 HydrophobicContact CG2-CB 4.46Å; V153-F202 HydrophobicContact CG2-CD1 4.25Å; V153-F202 HydrophobicContact CG2-CD2 3.66Å; V153-F202 HydrophobicContact CG2-CE1 4.42Å; V153-F202 HydrophobicContact CG2-CE2 3.86Å; V153-F202 HydrophobicContact CG2-CG 3.86Å; V153-F202 HydrophobicContact CG2-CZ 4.24Å; V153-Y211 HydrophobicContact CG2-CD2 4.05Å; V153-Y211 HydrophobicContact CG2-CE2 3.73Å
154C98.8Very high97.3Very high7 Ų746.5 Ų46.55%0.04723%0.234CC..EExtended strand (participates in β ladder)trans-92140.6174.8-680000110.8Q123 V132 Y133 Y134 F163Q123-C154 VanDerWaalsContact CB-SG 3.54Å; V132-C154 HydrophobicContact CB-CB 4.09Å; V132-C154 HydrophobicContact CG2-CB 3.55Å; Y133-C154 CarbonylContact O-C 3.59Å; Y133-C154 WeakPolarHBondContact O-CA 3.36Å; Y134-C154 VanDerWaalsContact CB-SG 3.59Å; Y134-C154 VanDerWaalsContact CD2-SG 3.59Å; C154-F163 HydrophobicContact CB-CZ 3.77Å
155I98.8Very high97.4Very high0 Ų043.4 Ų43.40%021%0.213CC..EExtended strand (participates in β ladder)trans-121.8126.8173.4-55.6-63.6000109.6Y133 Y135 V189 L198 I214 V215Y133-I155 PolarHBondContact N-O 2.99Å; Y133-I155 PolarHBondContact O-N 3.21Å; Y135-I155 HydrophobicContact CD2-CB 4.3Å; Y135-I155 HydrophobicContact CD2-CG1 3.92Å; Y135-I155 HydrophobicContact CE2-CB 3.82Å; Y135-I155 HydrophobicContact CE2-CG1 3.9Å; I155-V189 HydrophobicContact CG2-CG2 4.39Å; I155-L198 HydrophobicContact CD1-CD1 3.73Å; I155-L198 HydrophobicContact CD1-CD2 4.22Å; I155-L198 HydrophobicContact CG1-CD1 4.14Å; I155-L198 HydrophobicContact CG1-CD2 3.65Å; I155-I214 HydrophobicContact CD1-CG2 3.79Å; I155-I214 HydrophobicContact CG1-CG2 3.99Å; I155-I214 HydrophobicContact CG2-CG2 3.95Å; I155-V215 HydrophobicContact CG2-CG1 4.43Å; I155-V215 HydrophobicContact CG2-CG2 3.68Å
156H98.8Very high97.5Very high2 Ų243 Ų431%0.00921%0.211CC..BIsolated β-bridgetrans-84130.5176.8-174.4-90.7000110E25 V132 R158 L159 G160 F163E25-H156 IonicContact OE1-NE2 3.7Å; E25-H156 IonicContact OE2-CD2 2.76Å; E25-H156 IonicContact OE2-CE1 3.99Å; E25-H156 IonicContact OE2-NE2 3.47Å; E25-H156 PolarHBondContact OE2-NE2 2.74Å; E25-H156 VanDerWaalsContact OE2-NE2 3.08Å; V132-H156 HydrophobicContact CG1-CB 3.83Å; H156-R158 PolarHBondContact ND1-N 2.7Å; H156-R158 PolarHBondContact O-N 2.96Å; H156-L159 HydrophobicContact CB-CB 4.01Å; H156-L159 WeakPolarHBondContact ND1-CB 3.18Å; H156-L159 WeakPolarHBondContact ND1-CG 3.28Å; H156-L159 PolarHBondContact ND1-N 2.72Å; H156-L159 VanDerWaalsContact ND1-N 3.13Å; H156-L159 PolarHBondContact O-N 3.21Å; H156-G160 WeakPolarHBondContact CB-O 3.47Å; H156-G160 PolarHBondContact N-O 2.95Å; H156-G160 WeakPolarHBondContact O-CA 3.4Å; H156-G160 PolarHBondContact O-N 3.44Å; H156-F163 HydrophobicContact CB-CD1 3.62Å; H156-F163 HydrophobicContact CB-CE1 3.71Å; H156-F163 HydrophobicContact CB-CG 4.22Å; H156-F163 HydrophobicContact CB-CZ 4.35Å
157P98.1Very high97.8Very high48 Ų4841 Ų4131%0.31219%0.19SC..THydrogen-bonded Turntrans-61.9-21.8-171.824.2-35.5000114.1P186P157-P186 HydrophobicContact CB-CB 4.23Å; P157-P186 HydrophobicContact CB-CG 4.29Å; P157-P186 HydrophobicContact CG-CG 4.22Å
158R98.4Very high98.1Very high141 Ų14132.3 Ų32.353%0.53215%0.15SC..THydrogen-bonded Turntrans-108.5-20.6178.2-59.8171.559.6-145.2-0.9114.2H156 P217 V218H156-R158 PolarHBondContact ND1-N 2.7Å; H156-R158 PolarHBondContact O-N 2.96Å; R158-P217 WeakPolarHBondContact O-CA 3.27Å; R158-V218 HydrophobicContact CB-CG2 4.2Å; R158-V218 WeakPolarHBondContact O-CG2 3.36Å; R158-V218 PolarHBondContact O-N 2.77Å
159L98.7Very high98.3Very high6 Ų627.2 Ų27.23%0.03113%0.128CC..THydrogen-bonded Turntrans-118.8-1.6-169.2-61.1170.8000112T58 P59 H156 G161 W162 F163 V218 Q219T58-L159 HydrophobicContact CG2-CD1 3.96Å; P59-L159 HydrophobicContact CG-CD2 4.33Å; H156-L159 HydrophobicContact CB-CB 4.01Å; H156-L159 WeakPolarHBondContact ND1-CB 3.18Å; H156-L159 WeakPolarHBondContact ND1-CG 3.28Å; H156-L159 PolarHBondContact ND1-N 2.72Å; H156-L159 VanDerWaalsContact ND1-N 3.13Å; H156-L159 PolarHBondContact O-N 3.21Å; L159-G161 PolarHBondContact O-N 3.21Å; L159-W162 VanDerWaalsContact O-CB 3.23Å; L159-W162 WeakPolarHBondContact O-CB 3.46Å; L159-W162 VanDerWaalsContact O-CD1 3.31Å; L159-W162 PolarHBondContact O-N 3.37Å; L159-F163 HydrophobicContact CD1-CB 4.3Å; L159-V218 HydrophobicContact CD2-CG2 4.05Å; L159-Q219 HydrophobicContact CD2-CB 3.92Å
160G98.6Very high98.5Very high0 Ų020.2 Ų20.20%010%0.097CC..BIsolated β-bridgetrans55.7-130.4-169.500000111.2H156 W162 F163 R212H156-G160 WeakPolarHBondContact CB-O 3.47Å; H156-G160 PolarHBondContact N-O 2.95Å; H156-G160 WeakPolarHBondContact O-CA 3.4Å; H156-G160 PolarHBondContact O-N 3.44Å; G160-W162 VanDerWaalsContact C-N 3.34Å; G160-F163 WeakPolarHBondContact O-CD1 3.31Å; G160-F163 WeakPolarHBondContact O-CE1 3.19Å; G160-R212 CarbonylContact C-O 3.46Å; G160-R212 WeakPolarHBondContact CA-O 3.42Å
161G98.5Very high98.5Very high2 Ų219.5 Ų19.52%0.0219%0.094CC..THydrogen-bonded Turntrans-87.15.817200000114.2L159 F163 R212L159-G161 PolarHBondContact O-N 3.21Å; G161-F163 PolarHBondContact O-N 3.38Å; G161-R212 PolarHBondContact N-O 3.04Å; G161-R212 WeakPolarHBondContact O-CD 3.43Å; G161-R212 PolarHBondContact O-NH1 3.23Å
162W98.7Very high98.4Very high4 Ų415.1 Ų15.12%0.0158%0.077CC..  trans-81.553.9-178-61.499.9000113.1P59 L159 G160 W209 R212 D213 T220 Y221 R226P59-W162 WeakPolarHBondContact CD-O 3.29Å; P59-W162 HydrophobicContact CG-CB 4.14Å; P59-W162 VanDerWaalsContact CG-O 3.28Å; P59-W162 WeakPolarHBondContact CG-O 3.32Å; L159-W162 VanDerWaalsContact O-CB 3.23Å; L159-W162 WeakPolarHBondContact O-CB 3.46Å; L159-W162 VanDerWaalsContact O-CD1 3.31Å; L159-W162 PolarHBondContact O-N 3.37Å; G160-W162 VanDerWaalsContact C-N 3.34Å; W162-W209 HydrophobicContact CE3-CE3 4.43Å; W162-W209 HydrophobicContact CH2-CB 3.71Å; W162-W209 HydrophobicContact CH2-CD2 4.19Å; W162-W209 AromaticContact CH2-CE3 3.96Å; W162-W209 HydrophobicContact CH2-CE3 3.96Å; W162-W209 HydrophobicContact CH2-CG 4.08Å; W162-W209 HydrophobicContact CZ2-CB 4.14Å; W162-W209 HydrophobicContact CZ3-CD2 4.23Å; W162-W209 AromaticContact CZ3-CE3 3.59Å; W162-W209 HydrophobicContact CZ3-CE3 3.59Å; W162-W209 HydrophobicContact CZ3-CZ3 4.31Å; W162-R212 HydrophobicContact CD2-CB 3.97Å; W162-R212 HydrophobicContact CG-CB 4.06Å; W162-R212 HydrophobicContact CZ2-CB 4.24Å; W162-D213 PolarHBondContact NE1-OD1 2.84Å; W162-T220 HydrophobicContact CD2-CG2 4.15Å; W162-T220 HydrophobicContact CG-CG2 4.12Å; W162-T220 HydrophobicContact CZ2-CG2 4.36Å; W162-Y221 HydrophobicContact CB-CD1 4.38Å; W162-Y221 HydrophobicContact CB-CE1 4.38Å; W162-Y221 AromaticContact CE3-CD1 3.83Å; W162-Y221 HydrophobicContact CE3-CD1 3.83Å; W162-Y221 AromaticContact CE3-CD2 3.7Å; W162-Y221 HydrophobicContact CE3-CD2 3.7Å; W162-Y221 HydrophobicContact CE3-CE1 4.44Å; W162-Y221 HydrophobicContact CE3-CE2 4.33Å; W162-Y221 AromaticContact CE3-CG 3.42Å; W162-Y221 HydrophobicContact CE3-CG 3.42Å; W162-Y221 VanDerWaalsContact CE3-CG 3.42Å; W162-Y221 AromaticContact CZ3-CD2 3.84Å; W162-Y221 HydrophobicContact CZ3-CD2 3.84Å; W162-Y221 AromaticContact CZ3-CG 3.77Å; W162-Y221 HydrophobicContact CZ3-CG 3.77Å; W162-R226 HydrophobicContact CH2-CG 4.38Å; W162-R226 HydrophobicContact CZ3-CG 4.06Å
163F98.8Very high98.2Very high14 Ų1417 Ų176%0.06110%0.096CC..  trans-152.3176.817577.1-74.5000109.5L56 S57 V132 C154 H156 L159 G160 G161 I165 Y221L56-F163 HydrophobicContact CB-CD2 4.34Å; L56-F163 HydrophobicContact CD2-CD2 3.51Å; L56-F163 HydrophobicContact CD2-CE2 3.53Å; L56-F163 HydrophobicContact CG-CD2 3.91Å; L56-F163 HydrophobicContact CG-CE2 4.06Å; S57-F163 VanDerWaalsContact O-CA 3.3Å; S57-F163 WeakPolarHBondContact O-CA 3.42Å; S57-F163 WeakPolarHBondContact O-CB 3.19Å; V132-F163 HydrophobicContact CB-CZ 4.13Å; V132-F163 HydrophobicContact CG1-CE1 4.31Å; V132-F163 HydrophobicContact CG1-CE2 3.82Å; V132-F163 HydrophobicContact CG1-CZ 3.64Å; V132-F163 HydrophobicContact CG2-CE2 4.38Å; V132-F163 HydrophobicContact CG2-CZ 4.16Å; C154-F163 HydrophobicContact CB-CZ 3.77Å; H156-F163 HydrophobicContact CB-CD1 3.62Å; H156-F163 HydrophobicContact CB-CE1 3.71Å; H156-F163 HydrophobicContact CB-CG 4.22Å; H156-F163 HydrophobicContact CB-CZ 4.35Å; L159-F163 HydrophobicContact CD1-CB 4.3Å; G160-F163 WeakPolarHBondContact O-CD1 3.31Å; G160-F163 WeakPolarHBondContact O-CE1 3.19Å; G161-F163 PolarHBondContact O-N 3.38Å; F163-I165 HydrophobicContact CE2-CD1 4.47Å; F163-I165 HydrophobicContact CE2-CG1 3.84Å; F163-Y221 PolarHBondContact O-OH 3.17Å
164A98.6Very high98Very high23 Ų2316.8 Ų16.819%0.1910%0.095CC..EExtended strand (participates in β ladder)trans-143.5148.4167.500000110.4L56 S57L56-A164 CarbonylContact C-O 3.47Å; L56-A164 VanDerWaalsContact CA-O 3.27Å; L56-A164 WeakPolarHBondContact CA-O 3.28Å; S57-A164 PolarHBondContact N-O 3.45Å; S57-A164 PolarHBondContact O-N 2.96Å
165I98.8Very high97.8Very high16 Ų1622.2 Ų22.28%0.08212%0.12CC..EExtended strand (participates in β ladder)trans-86.9132.6172.1-54.2159.5000106.8V54 L56 D109 A122 Q123 A126 F163V54-I165 HydrophobicContact CG2-CG2 3.67Å; L56-I165 HydrophobicContact CD1-CG1 4.31Å; L56-I165 HydrophobicContact CD1-CG2 4.36Å; L56-I165 HydrophobicContact CG-CG1 4.13Å; D109-I165 WeakPolarHBondContact CB-O 3.45Å; D109-I165 VanDerWaalsContact CG-O 3.26Å; A122-I165 HydrophobicContact CB-CB 4.05Å; A122-I165 HydrophobicContact CB-CD1 4.3Å; A122-I165 HydrophobicContact CB-CG2 3.76Å; Q123-I165 HydrophobicContact CG-CD1 4.19Å; A126-I165 HydrophobicContact CB-CD1 3.53Å; A126-I165 HydrophobicContact CB-CG1 3.92Å; A126-I165 HydrophobicContact CB-CG2 4.48Å; F163-I165 HydrophobicContact CE2-CD1 4.47Å; F163-I165 HydrophobicContact CE2-CG1 3.84Å
166R98.5Very high97.5Very high14 Ų1422.3 Ų22.35%0.05312%0.121CC..EExtended strand (participates in β ladder)trans-117.8-39.2-166.5-65.3-56.7-174.6175.8-0114.6F24 V55 S57 V87 Y108 D109F24-R166 HydrophobicContact CE1-CG 4.28Å; V55-R166 PolarHBondContact O-N 2.85Å; S57-R166 PolarHBondContact OG-NE 3.37Å; S57-R166 PolarHBondContact OG-NH2 3.46Å; V87-R166 HydrophobicContact CG1-CB 3.88Å; V87-R166 HydrophobicContact CG1-CG 4.26Å; V87-R166 HydrophobicContact CG2-CG 4.42Å; Y108-R166 WeakPolarHBondContact CA-O 3.34Å; D109-R166 PolarHBondContact N-O 3.44Å; D109-R166 VanDerWaalsContact OD1-O 3.06Å
167A98.6Very high97.1Very high0 Ų023.8 Ų23.80%014%0.136CC..EExtended strand (participates in β ladder)trans-155.1155.9-176.500000113.1V54 V55 I91 V106 S107 Y108 L169V54-A167 WeakPolarHBondContact CA-O 3.4Å; V55-A167 HydrophobicContact CB-CB 4.36Å; V55-A167 PolarHBondContact N-O 3.07Å; V55-A167 PolarHBondContact O-N 3.24Å; I91-A167 HydrophobicContact CD1-CB 3.74Å; V106-A167 HydrophobicContact CG1-CB 4.36Å; S107-A167 CarbonylContact O-C 3.54Å; S107-A167 WeakPolarHBondContact O-CA 3.37Å; Y108-A167 HydrophobicContact CD1-CB 4.13Å; Y108-A167 HydrophobicContact CE1-CB 4.35Å; A167-L169 HydrophobicContact CB-CD2 4.46Å
168M98.4Very high96.6Very high1 Ų126.2 Ų26.21%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-108.8127.7159.7176.463.977.800108.5L29 S107 F120 A125 V170L29-M168 HydrophobicContact CD1-CE 3.91Å; L29-M168 HydrophobicContact CD2-CE 3.97Å; L29-M168 HydrophobicContact CD2-SD 3.97Å; S107-M168 PolarHBondContact N-O 3.07Å; S107-M168 PolarHBondContact O-N 3.19Å; F120-M168 HydrophobicContact CD1-CB 4.16Å; F120-M168 HydrophobicContact CD2-CB 3.74Å; F120-M168 HydrophobicContact CD2-CE 4.38Å; F120-M168 HydrophobicContact CE1-CB 4.14Å; F120-M168 HydrophobicContact CE2-CB 3.68Å; F120-M168 HydrophobicContact CG-CB 3.98Å; F120-M168 HydrophobicContact CZ-CB 3.91Å; A125-M168 HydrophobicContact CB-CE 3.3Å; M168-V170 HydrophobicContact CG-CG2 4.05Å
169L98.5Very high96.2Very high0 Ų025 Ų250%016%0.155CC..EExtended strand (participates in β ladder)trans-104.9133.7171.5-46.9-179.4000108.3L15 G52 A53 V55 I91 V95 V104 V106 A167 F171L15-L169 HydrophobicContact CD1-CD1 3.61Å; L15-L169 HydrophobicContact CD2-CD1 4.45Å; G52-L169 CarbonylContact C-O 3.48Å; G52-L169 WeakPolarHBondContact CA-O 3.5Å; A53-L169 HydrophobicContact CB-CB 4.38Å; A53-L169 HydrophobicContact CB-CD1 4.46Å; A53-L169 PolarHBondContact N-O 3.48Å; A53-L169 PolarHBondContact O-N 2.58Å; V55-L169 HydrophobicContact CG2-CD1 3.93Å; V55-L169 HydrophobicContact CG2-CG 4.08Å; I91-L169 HydrophobicContact CG2-CD2 3.79Å; V95-L169 HydrophobicContact CG2-CD1 4.24Å; V95-L169 HydrophobicContact CG2-CD2 4.47Å; V104-L169 HydrophobicContact CG1-CB 4.13Å; V106-L169 HydrophobicContact CB-CD2 4.2Å; V106-L169 HydrophobicContact CG1-CD2 3.71Å; V106-L169 HydrophobicContact CG2-CD2 3.75Å; A167-L169 HydrophobicContact CB-CD2 4.46Å; L169-F171 HydrophobicContact CB-CE2 4.13Å
170V98.4Very high96Very high3 Ų325.7 Ų25.72%0.01816%0.158CC..EExtended strand (participates in β ladder)trans-124.2117.5175-173.10000109.3I31 Y46 T50 V104 D105 M168 V172I31-V170 HydrophobicContact CD1-CG1 4.22Å; I31-V170 HydrophobicContact CD1-CG2 3.95Å; I31-V170 HydrophobicContact CG1-CG1 4.29Å; Y46-V170 HydrophobicContact CD1-CG1 3.84Å; Y46-V170 HydrophobicContact CD2-CG1 3.97Å; Y46-V170 HydrophobicContact CE1-CG1 3.85Å; Y46-V170 HydrophobicContact CE2-CB 4.39Å; Y46-V170 HydrophobicContact CE2-CG1 4.01Å; Y46-V170 HydrophobicContact CE2-CG2 4.14Å; Y46-V170 HydrophobicContact CG-CG1 3.9Å; T50-V170 HydrophobicContact CG2-CG1 3.66Å; V104-V170 CarbonylContact C-O 3.48Å; V104-V170 WeakPolarHBondContact CA-O 3.21Å; D105-V170 HydrophobicContact CB-CB 4.39Å; D105-V170 PolarHBondContact N-O 3.11Å; D105-V170 PolarHBondContact O-N 3.07Å; M168-V170 HydrophobicContact CG-CG2 4.05Å; V170-V172 PolarHBondContact O-N 3.04Å
171F97.5Very high95.8Very high0 Ų032 Ų320%019%0.187CC..EExtended strand (participates in β ladder)trans-87.791.3-178.1-65.8-95000109.6V6 V11 L15 L51 A53 F99 V102 V104 L169 G173 S174V6-F171 HydrophobicContact CG2-CB 4.07Å; V6-F171 HydrophobicContact CG2-CD1 3.51Å; V6-F171 HydrophobicContact CG2-CE1 4.18Å; V6-F171 HydrophobicContact CG2-CG 3.93Å; V11-F171 HydrophobicContact CB-CE2 4.44Å; V11-F171 HydrophobicContact CB-CZ 4.23Å; V11-F171 HydrophobicContact CG1-CD2 4.47Å; V11-F171 HydrophobicContact CG1-CE1 4.39Å; V11-F171 HydrophobicContact CG1-CE2 3.56Å; V11-F171 HydrophobicContact CG1-CZ 3.51Å; V11-F171 HydrophobicContact CG2-CD1 4.05Å; V11-F171 HydrophobicContact CG2-CD2 4.29Å; V11-F171 HydrophobicContact CG2-CE1 3.67Å; V11-F171 HydrophobicContact CG2-CE2 3.96Å; V11-F171 HydrophobicContact CG2-CG 4.35Å; V11-F171 HydrophobicContact CG2-CZ 3.63Å; L15-F171 HydrophobicContact CD1-CZ 4.17Å; L51-F171 HydrophobicContact CB-CB 4.4Å; L51-F171 HydrophobicContact CD2-CD2 4.36Å; L51-F171 HydrophobicContact CG-CD2 4.07Å; L51-F171 PolarHBondContact O-N 3.11Å; A53-F171 HydrophobicContact CB-CE2 4.33Å; F99-F171 HydrophobicContact CD1-CE1 4.45Å; F99-F171 AromaticContact CD2-CE1 3.87Å; F99-F171 HydrophobicContact CD2-CE1 3.87Å; F99-F171 HydrophobicContact CD2-CZ 4.5Å; F99-F171 HydrophobicContact CE1-CE1 4.45Å; F99-F171 AromaticContact CE2-CE1 3.87Å; F99-F171 HydrophobicContact CE2-CE1 3.87Å; F99-F171 HydrophobicContact CE2-CZ 4.12Å; F99-F171 HydrophobicContact CG-CE1 4.17Å; F99-F171 HydrophobicContact CZ-CE1 4.17Å; F99-F171 HydrophobicContact CZ-CZ 4.42Å; V102-F171 HydrophobicContact CG1-CD1 4.22Å; V104-F171 HydrophobicContact CG1-CD1 4.48Å; V104-F171 HydrophobicContact CG1-CE1 4.37Å; V104-F171 HydrophobicContact CG2-CD1 3.61Å; V104-F171 HydrophobicContact CG2-CE1 3.72Å; V104-F171 HydrophobicContact CG2-CG 4.43Å; L169-F171 HydrophobicContact CB-CE2 4.13Å; F171-G173 PolarHBondContact O-N 3Å; F171-S174 WeakPolarHBondContact O-CB 3Å; F171-S174 PolarHBondContact O-N 3.23Å
172V96Very high95.7Very high26 Ų2636.5 Ų36.516%0.15821%0.208CC..EExtended strand (participates in β ladder)trans-64.4125.4-169.7-176.20000110.9Y46 K103 D105 V170 S174Y46-V172 HydrophobicContact CE1-CG2 4.05Å; K103-V172 HydrophobicContact CB-CB 4.14Å; K103-V172 HydrophobicContact CD-CB 3.96Å; K103-V172 HydrophobicContact CD-CG1 4.1Å; K103-V172 HydrophobicContact CD-CG2 4.05Å; K103-V172 HydrophobicContact CG-CB 4Å; K103-V172 HydrophobicContact CG-CG2 4.01Å; K103-V172 PolarHBondContact O-N 3.03Å; D105-V172 HydrophobicContact CB-CG2 4.41Å; D105-V172 WeakPolarHBondContact OD2-CG2 3.25Å; V170-V172 PolarHBondContact O-N 3.04Å; V172-S174 VanDerWaalsContact C-N 3.27Å
173G93.5Very high95.5Very high44 Ų4441 Ų4145%0.45424%0.236SC..EExtended strand (participates in β ladder)trans82.3-0.9-177.700000114.5T5 F171T5-G173 WeakPolarHBondContact CG2-O 3.39Å; F171-G173 PolarHBondContact O-N 3Å
174S94.6Very high95.3Very high2 Ų244.4 Ų44.41%0.01427%0.267CS..EExtended strand (participates in β ladder)trans-96.9102.6171.8-57.40000109.3T5 V6 L51 F171 V172T5-S174 WeakPolarHBondContact CA-OG 3.47Å; V6-S174 PolarHBondContact N-OG 3.49Å; L51-S174 WeakPolarHBondContact CB-O 3.24Å; L51-S174 PolarHBondContact N-O 2.91Å; F171-S174 WeakPolarHBondContact O-CB 3Å; F171-S174 PolarHBondContact O-N 3.23Å; V172-S174 VanDerWaalsContact C-N 3.27Å
175E94.8Very high95.3Very high120 Ų12044 Ų4456%0.56126%0.262SS*.EExtended strand (participates in β ladder)trans-98.4146.7175.6-68178.2-162.800110.6D49D49-E175 HydrophobicContact CB-CB 4.25Å; D49-E175 CarbonylContact O-C 3.57Å; D49-E175 VanDerWaalsContact O-CA 3.24Å; D49-E175 WeakPolarHBondContact O-CA 3.31Å
176V93.8Very high95.2Very high3 Ų346.4 Ų46.42%0.01828%0.279CS..  trans-126.6131.4-177.2-700000110.8V8 K30 D49 L51 E179 L180V8-V176 HydrophobicContact CG2-CB 4.04Å; V8-V176 HydrophobicContact CG2-CG1 3.42Å; V8-V176 VanDerWaalsContact CG2-CG1 3.42Å; K30-V176 HydrophobicContact CD-CG2 4.37Å; K30-V176 VanDerWaalsContact CE-O 3.23Å; K30-V176 WeakPolarHBondContact CE-O 3.36Å; K30-V176 HydrophobicContact CG-CG2 3.88Å; K30-V176 PolarHBondContact NZ-O 2.95Å; D49-V176 WeakPolarHBondContact CB-O 3.31Å; D49-V176 VanDerWaalsContact O-CG2 3.27Å; D49-V176 WeakPolarHBondContact O-CG2 3.37Å; D49-V176 PolarHBondContact O-N 2.96Å; L51-V176 HydrophobicContact CB-CG1 3.94Å; L51-V176 HydrophobicContact CB-CG2 4.26Å; L51-V176 HydrophobicContact CD1-CG1 4.21Å; L51-V176 HydrophobicContact CD1-CG2 4.37Å; L51-V176 HydrophobicContact CD2-CG1 4.19Å; L51-V176 HydrophobicContact CG-CG1 4.34Å; V176-E179 WeakPolarHBondContact CA-OE1 3.36Å; V176-E179 WeakPolarHBondContact CB-OE1 3.26Å; V176-L180 HydrophobicContact CB-CB 4.41Å; V176-L180 HydrophobicContact CG2-CB 4.28Å; V176-L180 HydrophobicContact CG2-CD2 3.97Å
177G89.5Confident95.2Very high32 Ų3249 Ų4933%0.3329%0.294SS..  trans-90.8-135.7-178.400000112.8K30 E179K30-G177 VanDerWaalsContact CE-O 3.24Å; K30-G177 WeakPolarHBondContact CE-O 3.42Å; K30-G177 PolarHBondContact NZ-O 3.29Å; G177-E179 WeakPolarHBondContact CA-OE2 3.41Å; G177-E179 PolarHBondContact N-OE1 3.45Å; G177-E179 PolarHBondContact N-OE2 2.93Å; G177-E179 PolarHBondContact O-N 3.03Å
178S88.3Confident95.2Very high99 Ų9950.7 Ų50.769%0.69231%0.305SS*.THydrogen-bonded Turntrans-73.8-6.3-179.153.70000114.2L180 Q181S178-L180 VanDerWaalsContact C-N 3.28Å; S178-L180 PolarHBondContact O-N 3.42Å; S178-Q181 PolarHBondContact O-NE2 3.13Å
179E89.8Confident95.2Very high116 Ų11650.8 Ų50.854%0.54231%0.306SS..THydrogen-bonded Turntrans-69.6-24176.368.5-80.3-173.100113.1V8 V176 G177V8-E179 HydrophobicContact CG2-CG 4.17Å; V176-E179 WeakPolarHBondContact CA-OE1 3.36Å; V176-E179 WeakPolarHBondContact CB-OE1 3.26Å; G177-E179 WeakPolarHBondContact CA-OE2 3.41Å; G177-E179 PolarHBondContact N-OE1 3.45Å; G177-E179 PolarHBondContact N-OE2 2.93Å; G177-E179 PolarHBondContact O-N 3.03Å
180L94.5Very high95.1Very high20 Ų2054.6 Ų54.611%0.10533%0.331CS..SBendtrans-103.4105.6173.1-173.550.6000110.1V8 P28 K30 W33 L51 V176 S178V8-L180 HydrophobicContact CG1-CD1 4Å; V8-L180 HydrophobicContact CG2-CB 3.92Å; V8-L180 HydrophobicContact CG2-CD2 4.26Å; V8-L180 HydrophobicContact CG2-CG 4.46Å; P28-L180 HydrophobicContact CB-CD1 4.21Å; P28-L180 HydrophobicContact CB-CD2 4.27Å; K30-L180 HydrophobicContact CG-CD2 4.04Å; W33-L180 HydrophobicContact CH2-CD1 4.15Å; W33-L180 HydrophobicContact CH2-CD2 4.2Å; W33-L180 HydrophobicContact CH2-CG 3.58Å; W33-L180 HydrophobicContact CZ2-CG 4.32Å; W33-L180 WeakPolarHBondContact CZ2-O 3.42Å; W33-L180 HydrophobicContact CZ3-CD2 4.42Å; W33-L180 HydrophobicContact CZ3-CG 4.18Å; L51-L180 HydrophobicContact CD1-CD2 3.99Å; V176-L180 HydrophobicContact CB-CB 4.41Å; V176-L180 HydrophobicContact CG2-CB 4.28Å; V176-L180 HydrophobicContact CG2-CD2 3.97Å; S178-L180 VanDerWaalsContact C-N 3.28Å; S178-L180 PolarHBondContact O-N 3.42Å
181Q94.1Very high95.1Very high132 Ų13257 Ų5762%0.61735%0.345SS*.  trans-98.4135177.8-66.4-62.1-4100111.2W33 S178 T183W33-Q181 VanDerWaalsContact CH2-C 3.42Å; S178-Q181 PolarHBondContact O-NE2 3.13Å; Q181-T183 PolarHBondContact O-N 3.24Å
182Q95.9Very high95.1Very high98 Ų9861.7 Ų61.746%0.45836%0.363SS..  trans-72.7124.4179-164.7174.417.400109.6W33 V128W33-Q182 HydrophobicContact CD2-CB 3.96Å; W33-Q182 HydrophobicContact CD2-CG 3.87Å; W33-Q182 HydrophobicContact CE3-CB 4.05Å; W33-Q182 HydrophobicContact CE3-CG 3.75Å; W33-Q182 HydrophobicContact CG-CG 4.44Å; W33-Q182 HydrophobicContact CH2-CB 3.65Å; W33-Q182 HydrophobicContact CH2-CG 4.22Å; W33-Q182 HydrophobicContact CZ2-CB 3.58Å; W33-Q182 HydrophobicContact CZ2-CG 4.36Å; W33-Q182 HydrophobicContact CZ3-CB 3.9Å; W33-Q182 HydrophobicContact CZ3-CG 3.93Å; V128-Q182 PolarHBondContact O-NE2 2.99Å; V128-Q182 VanDerWaalsContact O-NE2 3.11Å
183T94.9Very high95.2Very high99 Ų9966.1 Ų66.161%0.60738%0.382SS*.  trans-106.6126.7173.9-56.60000108.7G130 Q181G130-T183 WeakPolarHBondContact CA-O 3.29Å; Q181-T183 PolarHBondContact O-N 3.24Å
184A95.4Very high95.4Very high84 Ų8467.4 Ų67.469%0.69438%0.378SS*.PPolyproline II helixtrans-64.613817500000110
185P97.6Very high95.6Very high14 Ų1468.8 Ų68.89%0.09138%0.383CS..PPolyproline II helixtrans-66.3146.8176.326.8-31.8000110.5H127 V132 Y133 D187H127-P185 WeakPolarHBondContact CE1-CG 3.16Å; H127-P185 WeakPolarHBondContact ND1-CG 3.37Å; H127-P185 WeakPolarHBondContact O-CD 3.44Å; H127-P185 WeakPolarHBondContact O-CG 3.3Å; V132-P185 VanDerWaalsContact C-CB 3.43Å; V132-P185 WeakPolarHBondContact O-CB 3.23Å; Y133-P185 HydrophobicContact CD2-CG 4.11Å; P185-D187 PolarHBondContact O-N 3.46Å
186P97.4Very high95.8Very high67 Ų6764.1 Ų64.144%0.43536%0.362SS..PPolyproline II helixtrans-62.4122.9177.7-23.133.9000112.5P157 C188P157-P186 HydrophobicContact CB-CB 4.23Å; P157-P186 HydrophobicContact CB-CG 4.29Å; P157-P186 HydrophobicContact CG-CG 4.22Å; P186-C188 VanDerWaalsContact C-N 3.32Å; P186-C188 PolarHBondContact O-N 3.06Å
187D98.3Very high96Very high70 Ų7067.5 Ų67.537%0.37438%0.377SS..  trans-73.186.8169.5-175.812.3000109.6Y133 Y135 P185 R195Y133-D187 HydrophobicContact CD2-CB 4.04Å; Y133-D187 HydrophobicContact CE2-CB 4.14Å; Y135-D187 WeakPolarHBondContact CE1-OD1 3.36Å; Y135-D187 PolarHBondContact OH-OD1 3.37Å; P185-D187 PolarHBondContact O-N 3.46Å; D187-R195 IonicContact OD1-NH2 3.99Å; D187-R195 PolarHBondContact OD1-NH2 2.83Å; D187-R195 VanDerWaalsContact OD1-NH2 3.07Å; D187-R195 IonicContact OD2-NH2 3.08Å; D187-R195 PolarHBondContact OD2-NH2 3.26Å
188C98Very high96.4Very high34 Ų3466 Ų6623%0.2336%0.362CS..SBendtrans-87.8-4.9-177.353.10000114.1Y135 P186 V215Y135-C188 PolarHBondContact OH-N 2.81Å; Y135-C188 PolarHBondContact OH-SG 2.85Å; P186-C188 VanDerWaalsContact C-N 3.32Å; P186-C188 PolarHBondContact O-N 3.06Å; C188-V215 HydrophobicContact CB-CG1 4.12Å; C188-V215 WeakPolarHBondContact O-CG1 3.46Å
189V98.4Very high96.9Very high3 Ų361.3 Ų61.32%0.01833%0.329CS..  trans-130.871.7175.3-169.90000108.1Y135 I155 D194 R195 L198 I214 V215Y135-V189 HydrophobicContact CD1-CB 4.48Å; Y135-V189 HydrophobicContact CE1-CB 3.75Å; Y135-V189 WeakPolarHBondContact CE1-O 3.44Å; Y135-V189 HydrophobicContact CE2-CB 4.22Å; Y135-V189 HydrophobicContact CE2-CG2 4.12Å; Y135-V189 PolarHBondContact OH-N 3.32Å; I155-V189 HydrophobicContact CG2-CG2 4.39Å; V189-D194 HydrophobicContact CG1-CB 3.44Å; V189-D194 VanDerWaalsContact CG1-CB 3.44Å; V189-R195 HydrophobicContact CG1-CG 4.13Å; V189-R195 VanDerWaalsContact O-CG 3.29Å; V189-R195 WeakPolarHBondContact O-CG 3.37Å; V189-R195 PolarHBondContact O-NE 3.49Å; V189-L198 HydrophobicContact CG1-CD2 4.5Å; V189-L198 HydrophobicContact CG2-CD2 4.37Å; V189-I214 HydrophobicContact CG1-CG1 4.02Å; V189-I214 HydrophobicContact CG2-CG1 4.03Å; V189-I214 HydrophobicContact CG2-CG2 3.93Å; V189-V215 HydrophobicContact CG2-CG1 3.92Å
190P96.8Very high97.3Very high81 Ų8158.4 Ų58.453%0.52632%0.316SS..  trans-80.7-22.2-166.431.5-36.7000113.7
191T97.8Very high97.5Very high53 Ų5358 Ų5833%0.32531%0.313SS..SBendtrans-81.3148.9-174.980.50000111.1E193 D194 R195T191-E193 VanDerWaalsContact C-N 3.31Å; T191-E193 PolarHBondContact O-N 3.41Å; T191-D194 WeakPolarHBondContact OG1-CB 3.44Å; T191-D194 PolarHBondContact OG1-N 2.89Å; T191-D194 PolarHBondContact OG1-OD2 2.92Å; T191-R195 VanDerWaalsContact O-CG 3.25Å; T191-R195 WeakPolarHBondContact O-CG 3.41Å; T191-R195 PolarHBondContact O-N 2.93Å; T191-R195 VanDerWaalsContact O-N 3.12Å
192R97.6Very high97.7Very high99 Ų9954 Ų5437%0.37429%0.294SS..Hα-helixtrans-63.6-42.1177.7-179.9176.5171.1-78.20.6110.9I140 L141 D142 R195 I196I140-R192 HydrophobicContact CG2-CG 4.04Å; L141-R192 PolarHBondContact O-NE 3.46Å; D142-R192 PolarHBondContact O-NH2 3.35Å; R192-R195 PolarHBondContact O-N 2.76Å; R192-I196 HydrophobicContact CG-CD1 4.15Å; R192-I196 WeakPolarHBondContact O-CG1 3.17Å; R192-I196 PolarHBondContact O-N 3.25Å
193E97.9Very high97.8Very high119 Ų11951 Ų5156%0.55628%0.281SS*.Hα-helixtrans-61.7-47.4-178.5-67.663.5-13900110.7T191 R195 I196 Q197T191-E193 VanDerWaalsContact C-N 3.31Å; T191-E193 PolarHBondContact O-N 3.41Å; E193-R195 VanDerWaalsContact C-N 3.34Å; E193-R195 PolarHBondContact O-N 3.24Å; E193-I196 PolarHBondContact O-N 2.94Å; E193-Q197 PolarHBondContact O-N 3.44Å
194D98.3Very high97.9Very high71 Ų7150.6 Ų50.638%0.3828%0.275SS..Hα-helixtrans-68.9-33.6179.5-61.4-34.3000111.7V189 T191 Q197 L198 I214V189-D194 HydrophobicContact CG1-CB 3.44Å; V189-D194 VanDerWaalsContact CG1-CB 3.44Å; T191-D194 WeakPolarHBondContact OG1-CB 3.44Å; T191-D194 PolarHBondContact OG1-N 2.89Å; T191-D194 PolarHBondContact OG1-OD2 2.92Å; D194-Q197 PolarHBondContact O-N 2.63Å; D194-L198 WeakPolarHBondContact O-CB 3.4Å; D194-L198 PolarHBondContact O-N 3.29Å; D194-I214 HydrophobicContact CB-CD1 4.3Å
195R98.6Very high97.9Very high31 Ų3152.4 Ų52.412%0.11726%0.264CS..Hα-helixtrans-66-38.9173.4-70.7175.3-177.9-171.41.1112.2Y135 D139 I140 D187 V189 T191 R192 E193 L199Y135-R195 HydrophobicContact CD1-CG 3.9Å; Y135-R195 HydrophobicContact CE1-CG 4.29Å; D139-R195 PolarHBondContact O-NH1 3.01Å; I140-R195 HydrophobicContact CD1-CB 3.73Å; I140-R195 HydrophobicContact CG1-CB 3.75Å; D187-R195 IonicContact OD1-NH2 3.99Å; D187-R195 PolarHBondContact OD1-NH2 2.83Å; D187-R195 VanDerWaalsContact OD1-NH2 3.07Å; D187-R195 IonicContact OD2-NH2 3.08Å; D187-R195 PolarHBondContact OD2-NH2 3.26Å; V189-R195 HydrophobicContact CG1-CG 4.13Å; V189-R195 VanDerWaalsContact O-CG 3.29Å; V189-R195 WeakPolarHBondContact O-CG 3.37Å; V189-R195 PolarHBondContact O-NE 3.49Å; T191-R195 VanDerWaalsContact O-CG 3.25Å; T191-R195 WeakPolarHBondContact O-CG 3.41Å; T191-R195 PolarHBondContact O-N 2.93Å; T191-R195 VanDerWaalsContact O-N 3.12Å; R192-R195 PolarHBondContact O-N 2.76Å; E193-R195 VanDerWaalsContact C-N 3.34Å; E193-R195 PolarHBondContact O-N 3.24Å; R195-L199 WeakPolarHBondContact O-CG 3.41Å; R195-L199 PolarHBondContact O-N 2.77Å
196I98.4Very high97.9Very high22 Ų2258 Ų5811%0.11328%0.283CS..Hα-helixtrans-62.9-51.3173.3-70.7168.9000109.4I140 P144 W145 R192 E193 L198 L199 E200I140-I196 HydrophobicContact CD1-CG1 4.02Å; I140-I196 HydrophobicContact CG2-CD1 4.17Å; I140-I196 HydrophobicContact CG2-CG1 3.91Å; P144-I196 HydrophobicContact CG-CD1 4.3Å; P144-I196 HydrophobicContact CG-CG2 4.09Å; W145-I196 HydrophobicContact CH2-CG1 4.31Å; W145-I196 HydrophobicContact CZ2-CB 4.25Å; W145-I196 HydrophobicContact CZ2-CG1 4.28Å; W145-I196 HydrophobicContact CZ2-CG2 3.95Å; R192-I196 HydrophobicContact CG-CD1 4.15Å; R192-I196 WeakPolarHBondContact O-CG1 3.17Å; R192-I196 PolarHBondContact O-N 3.25Å; E193-I196 PolarHBondContact O-N 2.94Å; I196-L198 VanDerWaalsContact C-N 3.31Å; I196-L198 PolarHBondContact O-N 3.03Å; I196-L199 PolarHBondContact O-N 2.99Å; I196-E200 HydrophobicContact CG2-CG 4.42Å; I196-E200 WeakPolarHBondContact O-CB 3.49Å; I196-E200 WeakPolarHBondContact O-CG 3.33Å; I196-E200 PolarHBondContact O-N 2.92Å
197Q98.3Very high97.8Very high73 Ų7361.3 Ų61.334%0.34129%0.293SS..Hα-helixtrans-55.3-47.5178.5-175.46050.200111.2E193 D194 L199 E200 D201E193-Q197 PolarHBondContact O-N 3.44Å; D194-Q197 PolarHBondContact O-N 2.63Å; Q197-L199 PolarHBondContact O-N 3.2Å; Q197-E200 PolarHBondContact O-N 3.24Å; Q197-D201 PolarHBondContact NE2-OD1 2.92Å; Q197-D201 PolarHBondContact NE2-OD2 3.26Å; Q197-D201 WeakPolarHBondContact O-CB 3.36Å; Q197-D201 VanDerWaalsContact O-CG 3.22Å; Q197-D201 PolarHBondContact O-N 3.17Å
198L98.7Very high97.8Very high0 Ų061.7 Ų61.70%030%0.295CS..Hα-helixtrans-57.4-51.1178172.256.9000112.5Y135 V153 I155 V189 D194 I196 E200 D201 F202 Y211 I214Y135-L198 HydrophobicContact CD2-CD2 3.69Å; Y135-L198 HydrophobicContact CE2-CD2 4.37Å; Y135-L198 HydrophobicContact CG-CD2 3.85Å; V153-L198 HydrophobicContact CG1-CD1 3.63Å; V153-L198 HydrophobicContact CG1-CD2 3.85Å; V153-L198 HydrophobicContact CG1-CG 3.6Å; I155-L198 HydrophobicContact CD1-CD1 3.73Å; I155-L198 HydrophobicContact CD1-CD2 4.22Å; I155-L198 HydrophobicContact CG1-CD1 4.14Å; I155-L198 HydrophobicContact CG1-CD2 3.65Å; V189-L198 HydrophobicContact CG1-CD2 4.5Å; V189-L198 HydrophobicContact CG2-CD2 4.37Å; D194-L198 WeakPolarHBondContact O-CB 3.4Å; D194-L198 PolarHBondContact O-N 3.29Å; I196-L198 VanDerWaalsContact C-N 3.31Å; I196-L198 PolarHBondContact O-N 3.03Å; L198-E200 VanDerWaalsContact C-N 3.34Å; L198-D201 PolarHBondContact O-N 3.5Å; L198-F202 WeakPolarHBondContact O-CB 3.4Å; L198-F202 PolarHBondContact O-N 3.4Å; L198-Y211 HydrophobicContact CD1-CD2 4.33Å; L198-I214 HydrophobicContact CB-CD1 4.39Å; L198-I214 HydrophobicContact CB-CG1 4.2Å; L198-I214 HydrophobicContact CD1-CB 4.32Å; L198-I214 HydrophobicContact CD1-CG2 4.06Å
199L98.6Very high97.8Very high1 Ų160.9 Ų60.91%0.00529%0.287CS..Hα-helixtrans-69.2-34.1-178.4-67.9-171.1000111.6I140 W145 M150 V153 R195 I196 Q197 N203I140-L199 HydrophobicContact CD1-CD1 3.82Å; W145-L199 HydrophobicContact CH2-CB 3.68Å; W145-L199 HydrophobicContact CH2-CD1 3.65Å; W145-L199 HydrophobicContact CH2-CG 4.18Å; W145-L199 HydrophobicContact CZ2-CB 3.94Å; W145-L199 HydrophobicContact CZ3-CD1 3.89Å; M150-L199 HydrophobicContact CE-CB 4.06Å; M150-L199 WeakPolarHBondContact CE-O 3.3Å; V153-L199 HydrophobicContact CG1-CD2 3.95Å; R195-L199 WeakPolarHBondContact O-CG 3.41Å; R195-L199 PolarHBondContact O-N 2.77Å; I196-L199 PolarHBondContact O-N 2.99Å; Q197-L199 PolarHBondContact O-N 3.2Å; L199-N203 VanDerWaalsContact O-CB 3.28Å; L199-N203 WeakPolarHBondContact O-CB 3.49Å; L199-N203 PolarHBondContact O-N 3.5Å; L199-N203 PolarHBondContact O-ND2 3.09Å
200E98.2Very high97.7Very high56 Ų5662.7 Ų62.726%0.26230%0.3SS..Hα-helixtrans-66.7-45.8173.5-72.6-174.3171.300112.1W145 M150 I196 Q197 L198 F202 N203 L204W145-E200 HydrophobicContact CZ2-CG 4Å; W145-E200 PolarHBondContact NE1-OE1 2.95Å; M150-E200 HydrophobicContact CE-CG 4.41Å; I196-E200 HydrophobicContact CG2-CG 4.42Å; I196-E200 WeakPolarHBondContact O-CB 3.49Å; I196-E200 WeakPolarHBondContact O-CG 3.33Å; I196-E200 PolarHBondContact O-N 2.92Å; Q197-E200 PolarHBondContact O-N 3.24Å; L198-E200 VanDerWaalsContact C-N 3.34Å; E200-F202 VanDerWaalsContact C-N 3.35Å; E200-F202 PolarHBondContact O-N 3.28Å; E200-N203 PolarHBondContact O-N 3.43Å; E200-L204 HydrophobicContact CB-CD1 4.3Å; E200-L204 HydrophobicContact CG-CD1 4.42Å; E200-L204 WeakPolarHBondContact O-CA 3.18Å; E200-L204 WeakPolarHBondContact O-CB 3.41Å; E200-L204 VanDerWaalsContact O-CG 3.3Å; E200-L204 WeakPolarHBondContact O-CG 3.29Å; E200-L204 PolarHBondContact O-N 3.31Å
201D98.4Very high97.8Very high11 Ų1159.6 Ų59.66%0.05928%0.278CS..Hα-helixtrans-63.4-43.1178.4-69.4-20.3000111.5Q197 L198 R205 W206Q197-D201 PolarHBondContact NE2-OD1 2.92Å; Q197-D201 PolarHBondContact NE2-OD2 3.26Å; Q197-D201 WeakPolarHBondContact O-CB 3.36Å; Q197-D201 VanDerWaalsContact O-CG 3.22Å; Q197-D201 PolarHBondContact O-N 3.17Å; L198-D201 PolarHBondContact O-N 3.5Å; D201-R205 CarbonylContact O-C 3.14Å; D201-R205 WeakPolarHBondContact O-CA 3.28Å; D201-R205 PolarHBondContact O-N 3.25Å; D201-R205 IonicContact OD1-CZ 3.87Å; D201-R205 VanDerWaalsContact OD1-CZ 3.24Å; D201-R205 IonicContact OD1-NE 2.92Å; D201-R205 PolarHBondContact OD1-NE 3.47Å; D201-R205 VanDerWaalsContact OD1-NE 3.15Å; D201-R205 IonicContact OD1-NH2 2.72Å; D201-R205 PolarHBondContact OD1-NH2 2.89Å; D201-W206 PolarHBondContact O-N 3.31Å
202F98.5Very high97.8Very high47 Ų4758.6 Ų58.621%0.20627%0.268CS..Hα-helixtrans-65.4-43.8177179.6-112.9000112.5F151 G152 V153 L198 E200 W206 Y211F151-F202 HydrophobicContact CB-CE1 4.13Å; G152-F202 WeakPolarHBondContact O-CE1 3.21Å; V153-F202 HydrophobicContact CB-CB 4.26Å; V153-F202 HydrophobicContact CB-CD1 3.74Å; V153-F202 HydrophobicContact CB-CD2 4.08Å; V153-F202 HydrophobicContact CB-CE1 4.05Å; V153-F202 HydrophobicContact CB-CE2 4.37Å; V153-F202 HydrophobicContact CB-CG 3.75Å; V153-F202 HydrophobicContact CB-CZ 4.36Å; V153-F202 HydrophobicContact CG1-CB 4.23Å; V153-F202 HydrophobicContact CG1-CD1 4.44Å; V153-F202 HydrophobicContact CG1-CG 4.27Å; V153-F202 HydrophobicContact CG2-CB 4.46Å; V153-F202 HydrophobicContact CG2-CD1 4.25Å; V153-F202 HydrophobicContact CG2-CD2 3.66Å; V153-F202 HydrophobicContact CG2-CE1 4.42Å; V153-F202 HydrophobicContact CG2-CE2 3.86Å; V153-F202 HydrophobicContact CG2-CG 3.86Å; V153-F202 HydrophobicContact CG2-CZ 4.24Å; L198-F202 WeakPolarHBondContact O-CB 3.4Å; L198-F202 PolarHBondContact O-N 3.4Å; E200-F202 VanDerWaalsContact C-N 3.35Å; E200-F202 PolarHBondContact O-N 3.28Å; F202-W206 WeakPolarHBondContact O-CB 3.43Å; F202-Y211 HydrophobicContact CB-CD2 4.22Å; F202-Y211 HydrophobicContact CB-CG 4.15Å; F202-Y211 HydrophobicContact CD2-CD1 4.24Å; F202-Y211 AromaticContact CD2-CD2 3.92Å; F202-Y211 HydrophobicContact CD2-CD2 3.92Å; F202-Y211 AromaticContact CD2-CE1 3.94Å; F202-Y211 HydrophobicContact CD2-CE1 3.94Å; F202-Y211 AromaticContact CD2-CE2 3.63Å; F202-Y211 HydrophobicContact CD2-CE2 3.63Å; F202-Y211 HydrophobicContact CD2-CG 4.21Å; F202-Y211 AromaticContact CD2-CZ 3.61Å; F202-Y211 HydrophobicContact CE2-CE2 4.21Å; F202-Y211 AromaticContact CE2-CZ 3.99Å
203N98.2Very high97.9Very high36 Ų3657.6 Ų57.619%0.19327%0.27CS..Hα-helixtrans-84.2-27.2-173.9-75-93.4000113.2M150 F151 L199 E200M150-N203 HydrophobicContact CE-CB 3.65Å; M150-N203 HydrophobicContact SD-CB 4.1Å; F151-N203 WeakPolarHBondContact CB-OD1 3.47Å; F151-N203 WeakPolarHBondContact CD2-OD1 3.37Å; F151-N203 PolarHBondContact N-OD1 3.33Å; F151-N203 PolarHBondContact O-ND2 3.04Å; L199-N203 VanDerWaalsContact O-CB 3.28Å; L199-N203 WeakPolarHBondContact O-CB 3.49Å; L199-N203 PolarHBondContact O-N 3.5Å; L199-N203 PolarHBondContact O-ND2 3.09Å; E200-N203 PolarHBondContact O-N 3.43Å
204L97Very high97.9Very high90 Ų9054 Ų5447%0.47125%0.254SS..Hα-helixtrans-112.1-23.4-170.7-48.8-179.8000113.2E200E200-L204 HydrophobicContact CB-CD1 4.3Å; E200-L204 HydrophobicContact CG-CD1 4.42Å; E200-L204 WeakPolarHBondContact O-CA 3.18Å; E200-L204 WeakPolarHBondContact O-CB 3.41Å; E200-L204 VanDerWaalsContact O-CG 3.3Å; E200-L204 WeakPolarHBondContact O-CG 3.29Å; E200-L204 PolarHBondContact O-N 3.31Å
205R96.1Very high97.8Very high123 Ų12351.4 Ų51.446%0.46424%0.241SC..Hα-helixtrans-138.517.7-170.3-60.3-169.7-72.7-173.9-3.6114.7D201 Q207 D208D201-R205 CarbonylContact O-C 3.14Å; D201-R205 WeakPolarHBondContact O-CA 3.28Å; D201-R205 PolarHBondContact O-N 3.25Å; D201-R205 IonicContact OD1-CZ 3.87Å; D201-R205 VanDerWaalsContact OD1-CZ 3.24Å; D201-R205 IonicContact OD1-NE 2.92Å; D201-R205 PolarHBondContact OD1-NE 3.47Å; D201-R205 VanDerWaalsContact OD1-NE 3.15Å; D201-R205 IonicContact OD1-NH2 2.72Å; D201-R205 PolarHBondContact OD1-NH2 2.89Å; R205-Q207 PolarHBondContact O-N 2.97Å; R205-D208 PolarHBondContact O-N 3.39Å
206W96.6Very high97.8Very high132 Ų13255.7 Ų55.750%0.527%0.273SS..G310 helixtrans-51.2-26.4-173.762-91.2000116D201 F202 D208 W209 Y211D201-W206 PolarHBondContact O-N 3.31Å; F202-W206 WeakPolarHBondContact O-CB 3.43Å; W206-D208 VanDerWaalsContact C-N 3.28Å; W206-D208 PolarHBondContact O-N 2.83Å; W206-W209 PolarHBondContact O-N 2.94Å; W206-Y211 HydrophobicContact CB-CD1 4.27Å; W206-Y211 HydrophobicContact CB-CE1 3.99Å
207Q96.3Very high97.8Very high136 Ų13656.4 Ų56.464%0.63628%0.278SS*.G310 helixtrans-67.7-24.1-179.7-66.3-178.8-25.300113.6R205 W209R205-Q207 PolarHBondContact O-N 2.97Å; Q207-W209 VanDerWaalsContact C-N 3.27Å; Q207-W209 PolarHBondContact O-NE1 2.83Å; Q207-W209 VanDerWaalsContact O-NE1 3.13Å
208D96.8Very high97.8Very high77 Ų7757.7 Ų57.741%0.41229%0.291SS..G310 helixtrans-83-6.2177.674.113.9000113.3R205 W206 S210R205-D208 PolarHBondContact O-N 3.39Å; W206-D208 VanDerWaalsContact C-N 3.28Å; W206-D208 PolarHBondContact O-N 2.83Å; D208-S210 PolarHBondContact O-N 3.25Å; D208-S210 WeakPolarHBondContact OD1-CB 3.32Å; D208-S210 PolarHBondContact OD1-N 2.98Å; D208-S210 PolarHBondContact OD1-OG 3.41Å; D208-S210 PolarHBondContact OD2-OG 3.39Å
209W97.9Very high97.7Very high17 Ų1761.6 Ų61.66%0.06431%0.309CS..  trans70.9-5.2179.3-48.981.1000115.6W162 W206 Q207 Y211 R212 Y221 R226 F229 S230W162-W209 HydrophobicContact CE3-CE3 4.43Å; W162-W209 HydrophobicContact CH2-CB 3.71Å; W162-W209 HydrophobicContact CH2-CD2 4.19Å; W162-W209 AromaticContact CH2-CE3 3.96Å; W162-W209 HydrophobicContact CH2-CE3 3.96Å; W162-W209 HydrophobicContact CH2-CG 4.08Å; W162-W209 HydrophobicContact CZ2-CB 4.14Å; W162-W209 HydrophobicContact CZ3-CD2 4.23Å; W162-W209 AromaticContact CZ3-CE3 3.59Å; W162-W209 HydrophobicContact CZ3-CE3 3.59Å; W162-W209 HydrophobicContact CZ3-CZ3 4.31Å; W206-W209 PolarHBondContact O-N 2.94Å; Q207-W209 VanDerWaalsContact C-N 3.27Å; Q207-W209 PolarHBondContact O-NE1 2.83Å; Q207-W209 VanDerWaalsContact O-NE1 3.13Å; W209-Y211 VanDerWaalsContact C-N 3.33Å; W209-Y211 PolarHBondContact O-N 3.43Å; W209-R212 VanDerWaalsContact O-CB 3.26Å; W209-R212 WeakPolarHBondContact O-CB 3.45Å; W209-R212 WeakPolarHBondContact O-CG 3.17Å; W209-R212 PolarHBondContact O-N 2.74Å; W209-Y221 HydrophobicContact CZ3-CD2 4.04Å; W209-Y221 HydrophobicContact CZ3-CE2 4.2Å; W209-R226 VanDerWaalsContact CD1-NH2 3.27Å; W209-F229 HydrophobicContact CH2-CB 3.69Å; W209-F229 HydrophobicContact CZ2-CB 4.39Å; W209-S230 WeakPolarHBondContact CZ2-OG 3.48Å
210S96.9Very high97.7Very high41 Ų4164.7 Ų64.729%0.28733%0.328SS..G310 helixtrans-59.1-37-170.2600000114.1D208 R212 D213D208-S210 PolarHBondContact O-N 3.25Å; D208-S210 WeakPolarHBondContact OD1-CB 3.32Å; D208-S210 PolarHBondContact OD1-N 2.98Å; D208-S210 PolarHBondContact OD1-OG 3.41Å; D208-S210 PolarHBondContact OD2-OG 3.39Å; S210-R212 PolarHBondContact O-N 3.22Å; S210-D213 PolarHBondContact O-N 2.85Å
211Y98.4Very high97.7Very high17 Ų1762.5 Ų62.57%0.06732%0.318CS..G310 helixtrans-57.1-24.6177.583.8-91.9000112.9V153 L198 F202 W206 W209 D213V153-Y211 HydrophobicContact CG2-CD2 4.05Å; V153-Y211 HydrophobicContact CG2-CE2 3.73Å; L198-Y211 HydrophobicContact CD1-CD2 4.33Å; F202-Y211 HydrophobicContact CB-CD2 4.22Å; F202-Y211 HydrophobicContact CB-CG 4.15Å; F202-Y211 HydrophobicContact CD2-CD1 4.24Å; F202-Y211 AromaticContact CD2-CD2 3.92Å; F202-Y211 HydrophobicContact CD2-CD2 3.92Å; F202-Y211 AromaticContact CD2-CE1 3.94Å; F202-Y211 HydrophobicContact CD2-CE1 3.94Å; F202-Y211 AromaticContact CD2-CE2 3.63Å; F202-Y211 HydrophobicContact CD2-CE2 3.63Å; F202-Y211 HydrophobicContact CD2-CG 4.21Å; F202-Y211 AromaticContact CD2-CZ 3.61Å; F202-Y211 HydrophobicContact CE2-CE2 4.21Å; F202-Y211 AromaticContact CE2-CZ 3.99Å; W206-Y211 HydrophobicContact CB-CD1 4.27Å; W206-Y211 HydrophobicContact CB-CE1 3.99Å; W209-Y211 VanDerWaalsContact C-N 3.33Å; W209-Y211 PolarHBondContact O-N 3.43Å; Y211-D213 PolarHBondContact O-N 2.71Å
212R98.6Very high97.7Very high31 Ų3163.8 Ų63.812%0.11733%0.328CS..G310 helixtrans-74.4-18.8-179-56.3-174.9-173-99.64.1112.5G160 G161 W162 W209 S210G160-R212 CarbonylContact C-O 3.46Å; G160-R212 WeakPolarHBondContact CA-O 3.42Å; G161-R212 PolarHBondContact N-O 3.04Å; G161-R212 WeakPolarHBondContact O-CD 3.43Å; G161-R212 PolarHBondContact O-NH1 3.23Å; W162-R212 HydrophobicContact CD2-CB 3.97Å; W162-R212 HydrophobicContact CG-CB 4.06Å; W162-R212 HydrophobicContact CZ2-CB 4.24Å; W209-R212 VanDerWaalsContact O-CB 3.26Å; W209-R212 WeakPolarHBondContact O-CB 3.45Å; W209-R212 WeakPolarHBondContact O-CG 3.17Å; W209-R212 PolarHBondContact O-N 2.74Å; S210-R212 PolarHBondContact O-N 3.22Å
213D98.3Very high97.7Very high79 Ų7970 Ų7042%0.42236%0.357SS..G310 helixtrans-98.911-178.5-64-47.5000113W162 S210 Y211 V215W162-D213 PolarHBondContact NE1-OD1 2.84Å; S210-D213 PolarHBondContact O-N 2.85Å; Y211-D213 PolarHBondContact O-N 2.71Å; D213-V215 PolarHBondContact O-N 3.22Å
214I98.2Very high97.7Very high44 Ų4471.7 Ų71.723%0.22636%0.363CS..SBendtrans-54.4-28178-167.465.3000112.8I155 V189 D194 L198I155-I214 HydrophobicContact CD1-CG2 3.79Å; I155-I214 HydrophobicContact CG1-CG2 3.99Å; I155-I214 HydrophobicContact CG2-CG2 3.95Å; V189-I214 HydrophobicContact CG1-CG1 4.02Å; V189-I214 HydrophobicContact CG2-CG1 4.03Å; V189-I214 HydrophobicContact CG2-CG2 3.93Å; D194-I214 HydrophobicContact CB-CD1 4.3Å; L198-I214 HydrophobicContact CB-CD1 4.39Å; L198-I214 HydrophobicContact CB-CG1 4.2Å; L198-I214 HydrophobicContact CD1-CB 4.32Å; L198-I214 HydrophobicContact CD1-CG2 4.06Å
215V97.4Very high97.8Very high15 Ų1567.5 Ų67.59%0.09134%0.341CS..SBendtrans-122.6144.7167.1-62.60000108.8I155 C188 V189 D213 P217I155-V215 HydrophobicContact CG2-CG1 4.43Å; I155-V215 HydrophobicContact CG2-CG2 3.68Å; C188-V215 HydrophobicContact CB-CG1 4.12Å; C188-V215 WeakPolarHBondContact O-CG1 3.46Å; V189-V215 HydrophobicContact CG2-CG1 3.92Å; D213-V215 PolarHBondContact O-N 3.22Å; V215-P217 WeakPolarHBondContact O-CD 3.41Å; V215-P217 VanDerWaalsContact O-N 3.11Å
216P97.6Very high97.9Very high122 Ų12266.2 Ų66.279%0.79234%0.336SS*.  trans-60113-179.3-24.234.3000112
217P97.9Very high97.9Very high36 Ų3665.4 Ų65.423%0.23434%0.336CS..  trans-83.3139.4-177.133.3-33.7000111.2R158 V215 Q219 T220R158-P217 WeakPolarHBondContact O-CA 3.27Å; V215-P217 WeakPolarHBondContact O-CD 3.41Å; V215-P217 VanDerWaalsContact O-N 3.11Å; P217-Q219 PolarHBondContact O-N 2.83Å; P217-T220 HydrophobicContact CB-CG2 4.13Å; P217-T220 HydrophobicContact CG-CG2 3.48Å; P217-T220 VanDerWaalsContact CG-CG2 3.48Å
218V98.1Very high98Very high100 Ų10058.9 Ų58.961%0.60631%0.306SS*.SBendtrans-73.3-18.5172.5-54.10000112.4R158 L159R158-V218 HydrophobicContact CB-CG2 4.2Å; R158-V218 WeakPolarHBondContact O-CG2 3.36Å; R158-V218 PolarHBondContact O-N 2.77Å; L159-V218 HydrophobicContact CD2-CG2 4.05Å
219Q97.9Very high98Very high82 Ų8257 Ų5738%0.38329%0.294SS..  trans-154.3139.6177.4-168.6-177.538.100109.5P59 L159 P217P59-Q219 HydrophobicContact CB-CG 3.82Å; P59-Q219 HydrophobicContact CG-CB 4.2Å; P59-Q219 HydrophobicContact CG-CG 3.92Å; L159-Q219 HydrophobicContact CD2-CB 3.92Å; P217-Q219 PolarHBondContact O-N 2.83Å
220T98.6Very high98Very high66 Ų6659.6 Ų59.641%0.40532%0.315SS..  trans-119.5170.5174.365.80000110.4P59 W162 P217P59-T220 WeakPolarHBondContact CB-O 3.22Å; W162-T220 HydrophobicContact CD2-CG2 4.15Å; W162-T220 HydrophobicContact CG-CG2 4.12Å; W162-T220 HydrophobicContact CZ2-CG2 4.36Å; P217-T220 HydrophobicContact CB-CG2 4.13Å; P217-T220 HydrophobicContact CG-CG2 3.48Å; P217-T220 VanDerWaalsContact CG-CG2 3.48Å
221Y98.6Very high98Very high10 Ų1058.8 Ų58.84%0.03931%0.308CS..  trans-63.6139171.4-66.2-5.6000111P59 W162 F163 W209 Q225 F229P59-Y221 HydrophobicContact CB-CD1 3.72Å; P59-Y221 HydrophobicContact CB-CE1 4.19Å; P59-Y221 HydrophobicContact CG-CD1 3.84Å; P59-Y221 HydrophobicContact CG-CE1 4.05Å; W162-Y221 HydrophobicContact CB-CD1 4.38Å; W162-Y221 HydrophobicContact CB-CE1 4.38Å; W162-Y221 AromaticContact CE3-CD1 3.83Å; W162-Y221 HydrophobicContact CE3-CD1 3.83Å; W162-Y221 AromaticContact CE3-CD2 3.7Å; W162-Y221 HydrophobicContact CE3-CD2 3.7Å; W162-Y221 HydrophobicContact CE3-CE1 4.44Å; W162-Y221 HydrophobicContact CE3-CE2 4.33Å; W162-Y221 AromaticContact CE3-CG 3.42Å; W162-Y221 HydrophobicContact CE3-CG 3.42Å; W162-Y221 VanDerWaalsContact CE3-CG 3.42Å; W162-Y221 AromaticContact CZ3-CD2 3.84Å; W162-Y221 HydrophobicContact CZ3-CD2 3.84Å; W162-Y221 AromaticContact CZ3-CG 3.77Å; W162-Y221 HydrophobicContact CZ3-CG 3.77Å; F163-Y221 PolarHBondContact O-OH 3.17Å; W209-Y221 HydrophobicContact CZ3-CD2 4.04Å; W209-Y221 HydrophobicContact CZ3-CE2 4.2Å; Y221-Q225 VanDerWaalsContact CB-OE1 3.24Å; Y221-Q225 HydrophobicContact CD1-CG 4.27Å; Y221-Q225 VanDerWaalsContact CD1-NE2 3.28Å; Y221-Q225 HydrophobicContact CD2-CG 3.94Å; Y221-Q225 HydrophobicContact CG-CG 3.74Å; Y221-Q225 VanDerWaalsContact CG-OE1 3.32Å; Y221-F229 AromaticContact CD2-CD2 3.85Å; Y221-F229 HydrophobicContact CD2-CD2 3.85Å; Y221-F229 HydrophobicContact CD2-CE2 4.17Å; Y221-F229 AromaticContact CE2-CD2 3.71Å; Y221-F229 HydrophobicContact CE2-CD2 3.71Å; Y221-F229 AromaticContact CE2-CE2 3.8Å; Y221-F229 HydrophobicContact CE2-CE2 3.8Å
222S98.4Very high97.8Very high38 Ų3861 Ų6127%0.26632%0.324SS..  trans-63.9163.1173.873.30000111E63 K224 Q225 R226E63-S222 WeakPolarHBondContact OE1-CB 3.28Å; E63-S222 PolarHBondContact OE1-OG 3.19Å; S222-K224 PolarHBondContact O-N 3.35Å; S222-K224 PolarHBondContact OG-N 2.84Å; S222-Q225 PolarHBondContact O-N 2.97Å; S222-Q225 WeakPolarHBondContact OG-CB 3.48Å; S222-Q225 PolarHBondContact OG-N 2.62Å; S222-Q225 VanDerWaalsContact OG-N 3.07Å; S222-R226 WeakPolarHBondContact O-CG 3.3Å; S222-R226 PolarHBondContact O-N 3.45Å
223Q98.1Very high97.5Very high177 Ų17763.6 Ų63.683%0.82735%0.345SS*.Hα-helixtrans-57.3-36.2174.4-67.8-176.12.700111.8K227Q223-K227 WeakPolarHBondContact O-CB 3.18Å; Q223-K227 PolarHBondContact O-N 3.02Å
224K97.8Very high97.1Very high73 Ų7364.4 Ų64.432%0.31736%0.363SS..Hα-helixtrans-66.3-47.4177.1-167.1173.3-178.7177.40110.9F62 L67 S222 R226 K227 Y228 W243 Y245F62-K224 HydrophobicContact CE1-CB 4.47Å; F62-K224 HydrophobicContact CE1-CG 4.16Å; L67-K224 HydrophobicContact CD1-CD 4.39Å; S222-K224 PolarHBondContact O-N 3.35Å; S222-K224 PolarHBondContact OG-N 2.84Å; K224-R226 PolarHBondContact O-N 3.15Å; K224-K227 WeakPolarHBondContact O-CB 3.47Å; K224-K227 PolarHBondContact O-N 2.96Å; K224-Y228 PolarHBondContact O-N 3.44Å; K224-W243 HydrophobicContact CD-CH2 4.44Å; K224-W243 HydrophobicContact CD-CZ3 4.48Å; K224-W243 HydrophobicContact CG-CE3 4.44Å; K224-W243 HydrophobicContact CG-CH2 3.48Å; K224-W243 VanDerWaalsContact CG-CH2 3.48Å; K224-W243 HydrophobicContact CG-CZ2 3.64Å; K224-W243 HydrophobicContact CG-CZ3 3.94Å; K224-W243 VanDerWaalsContact O-CH2 3.32Å; K224-W243 WeakPolarHBondContact O-CH2 3.43Å; K224-Y245 PolarHBondContact NZ-OH 3.46Å
225Q98.5Very high96.9Very high1 Ų167.4 Ų67.41%0.00538%0.376CS..Hα-helixtrans-63-41.5176.6-176.5176.920.700112.6P59 F62 Y221 S222 Y228 F229P59-Q225 PolarHBondContact O-NE2 2.87Å; P59-Q225 PolarHBondContact O-OE1 3.26Å; F62-Q225 HydrophobicContact CB-CB 4.16Å; F62-Q225 HydrophobicContact CB-CG 3.73Å; F62-Q225 HydrophobicContact CD1-CB 3.62Å; F62-Q225 HydrophobicContact CD1-CG 4.04Å; F62-Q225 HydrophobicContact CD2-CB 4.14Å; F62-Q225 HydrophobicContact CD2-CG 3.72Å; F62-Q225 HydrophobicContact CE1-CB 3.96Å; F62-Q225 HydrophobicContact CE2-CB 4.43Å; F62-Q225 HydrophobicContact CE2-CG 4.29Å; F62-Q225 HydrophobicContact CG-CB 3.71Å; F62-Q225 HydrophobicContact CG-CG 3.56Å; F62-Q225 HydrophobicContact CZ-CB 4.35Å; Y221-Q225 VanDerWaalsContact CB-OE1 3.24Å; Y221-Q225 HydrophobicContact CD1-CG 4.27Å; Y221-Q225 VanDerWaalsContact CD1-NE2 3.28Å; Y221-Q225 HydrophobicContact CD2-CG 3.94Å; Y221-Q225 HydrophobicContact CG-CG 3.74Å; Y221-Q225 VanDerWaalsContact CG-OE1 3.32Å; S222-Q225 PolarHBondContact O-N 2.97Å; S222-Q225 WeakPolarHBondContact OG-CB 3.48Å; S222-Q225 PolarHBondContact OG-N 2.62Å; S222-Q225 VanDerWaalsContact OG-N 3.07Å; Q225-Y228 WeakPolarHBondContact O-CB 2.94Å; Q225-Y228 PolarHBondContact O-N 2.59Å; Q225-F229 HydrophobicContact CG-CD2 3.75Å; Q225-F229 HydrophobicContact CG-CE2 3.49Å; Q225-F229 VanDerWaalsContact CG-CE2 3.49Å; Q225-F229 VanDerWaalsContact O-CD2 3.29Å; Q225-F229 WeakPolarHBondContact O-CD2 3.33Å; Q225-F229 PolarHBondContact O-N 2.95Å
226R98.2Very high96.7Very high97 Ų9768.1 Ų68.137%0.36638%0.377SS..Hα-helixtrans-62-44.9173.8-69.8178.170-177.24.5111.2W162 W209 S222 K224 Y228 F229 S230W162-R226 HydrophobicContact CH2-CG 4.38Å; W162-R226 HydrophobicContact CZ3-CG 4.06Å; W209-R226 VanDerWaalsContact CD1-NH2 3.27Å; S222-R226 WeakPolarHBondContact O-CG 3.3Å; S222-R226 PolarHBondContact O-N 3.45Å; K224-R226 PolarHBondContact O-N 3.15Å; R226-Y228 VanDerWaalsContact C-N 3.31Å; R226-Y228 PolarHBondContact O-N 3.29Å; R226-F229 PolarHBondContact O-N 2.84Å; R226-S230 VanDerWaalsContact O-CB 3.28Å; R226-S230 WeakPolarHBondContact O-CB 3.48Å; R226-S230 PolarHBondContact O-N 3.23Å; R226-S230 PolarHBondContact O-OG 2.85Å
227K98.1Very high96.3Very high114 Ų11464.3 Ų64.350%0.49635%0.35SS..Hα-helixtrans-56.3-46.4174.6-175172.8-178.3-174.20110.8Q223 K224 F229 S230 T231 L239 W243Q223-K227 WeakPolarHBondContact O-CB 3.18Å; Q223-K227 PolarHBondContact O-N 3.02Å; K224-K227 WeakPolarHBondContact O-CB 3.47Å; K224-K227 PolarHBondContact O-N 2.96Å; K227-F229 PolarHBondContact O-N 3.13Å; K227-S230 PolarHBondContact O-N 3.47Å; K227-T231 PolarHBondContact O-N 3.2Å; K227-T231 PolarHBondContact O-OG1 2.96Å; K227-L239 HydrophobicContact CD-CD1 4.17Å; K227-L239 HydrophobicContact CG-CD1 4.26Å; K227-W243 HydrophobicContact CB-CZ2 4.29Å; K227-W243 HydrophobicContact CD-CZ2 4.09Å; K227-W243 HydrophobicContact CG-CZ2 4.2Å
228Y97.9Very high96Very high0 Ų067.5 Ų67.50%037%0.365CS..Hα-helixtrans-57.5-50.5176.8-175.2-96.2000113.2F62 F66 D81 I83 K224 Q225 R226 T231 R236 L239 L240 W243F62-Y228 AromaticContact CE2-CD1 3.76Å; F62-Y228 HydrophobicContact CE2-CD1 3.76Å; F62-Y228 HydrophobicContact CE2-CD2 4.23Å; F62-Y228 HydrophobicContact CE2-CE1 4.45Å; F62-Y228 AromaticContact CE2-CG 3.62Å; F62-Y228 HydrophobicContact CE2-CG 3.62Å; F62-Y228 HydrophobicContact CZ-CD2 4.37Å; F62-Y228 AromaticContact CZ-CG 3.97Å; F62-Y228 HydrophobicContact CZ-CG 3.97Å; F66-Y228 HydrophobicContact CE1-CD2 4.08Å; F66-Y228 HydrophobicContact CE1-CE1 4.47Å; F66-Y228 AromaticContact CE1-CE2 3.77Å; F66-Y228 HydrophobicContact CE1-CE2 3.77Å; F66-Y228 AromaticContact CE1-CZ 3.97Å; F66-Y228 HydrophobicContact CZ-CD2 4.32Å; F66-Y228 HydrophobicContact CZ-CE1 4.36Å; F66-Y228 AromaticContact CZ-CE2 3.55Å; F66-Y228 HydrophobicContact CZ-CE2 3.55Å; F66-Y228 AromaticContact CZ-CZ 3.56Å; D81-Y228 PolarHBondContact OD1-OH 3.36Å; I83-Y228 HydrophobicContact CB-CE1 4.12Å; I83-Y228 HydrophobicContact CD1-CE1 4.47Å; I83-Y228 PolarHBondContact N-OH 3.43Å; K224-Y228 PolarHBondContact O-N 3.44Å; Q225-Y228 WeakPolarHBondContact O-CB 2.94Å; Q225-Y228 PolarHBondContact O-N 2.59Å; R226-Y228 VanDerWaalsContact C-N 3.31Å; R226-Y228 PolarHBondContact O-N 3.29Å; Y228-T231 WeakPolarHBondContact O-CB 3.33Å; Y228-T231 PolarHBondContact O-N 3.04Å; Y228-R236 HydrophobicContact CE2-CB 4.24Å; Y228-R236 HydrophobicContact CE2-CG 4.24Å; Y228-L239 HydrophobicContact CD2-CD2 4.12Å; Y228-L240 HydrophobicContact CD2-CD2 4.45Å; Y228-L240 HydrophobicContact CE2-CD1 4.14Å; Y228-L240 HydrophobicContact CE2-CD2 4.12Å; Y228-L240 HydrophobicContact CE2-CG 4.18Å; Y228-W243 HydrophobicContact CD2-CH2 4.35Å; Y228-W243 HydrophobicContact CD2-CZ3 4.04Å
229F97.3Very high95.8Very high38 Ų3863.2 Ų63.217%0.16734%0.339CS..Hα-helixtrans-77.6-24.1-176.1-69.7-55.1000113.9F62 I83 W209 Y221 Q225 R226 K227 T231F62-F229 HydrophobicContact CD2-CE2 4.47Å; I83-F229 HydrophobicContact CD1-CZ 4.28Å; I83-F229 HydrophobicContact CG1-CE1 4.17Å; I83-F229 HydrophobicContact CG1-CZ 4.2Å; W209-F229 HydrophobicContact CH2-CB 3.69Å; W209-F229 HydrophobicContact CZ2-CB 4.39Å; Y221-F229 AromaticContact CD2-CD2 3.85Å; Y221-F229 HydrophobicContact CD2-CD2 3.85Å; Y221-F229 HydrophobicContact CD2-CE2 4.17Å; Y221-F229 AromaticContact CE2-CD2 3.71Å; Y221-F229 HydrophobicContact CE2-CD2 3.71Å; Y221-F229 AromaticContact CE2-CE2 3.8Å; Y221-F229 HydrophobicContact CE2-CE2 3.8Å; Q225-F229 HydrophobicContact CG-CD2 3.75Å; Q225-F229 HydrophobicContact CG-CE2 3.49Å; Q225-F229 VanDerWaalsContact CG-CE2 3.49Å; Q225-F229 VanDerWaalsContact O-CD2 3.29Å; Q225-F229 WeakPolarHBondContact O-CD2 3.33Å; Q225-F229 PolarHBondContact O-N 2.95Å; R226-F229 PolarHBondContact O-N 2.84Å; K227-F229 PolarHBondContact O-N 3.13Å; F229-T231 VanDerWaalsContact C-N 3.29Å
230S97Very high95.6Very high71 Ų7159.3 Ų59.350%0.49732%0.32SS..Hα-helixtrans-72-24.3168.1-74.10000112.4W209 R226 K227W209-S230 WeakPolarHBondContact CZ2-OG 3.48Å; R226-S230 VanDerWaalsContact O-CB 3.28Å; R226-S230 WeakPolarHBondContact O-CB 3.48Å; R226-S230 PolarHBondContact O-N 3.23Å; R226-S230 PolarHBondContact O-OG 2.85Å; K227-S230 PolarHBondContact O-N 3.47Å
231T96.9Very high95.2Very high24 Ų2458.8 Ų58.815%0.14732%0.317CS..SBendtrans-73125.5174.7-65.60000110.4K227 Y228 F229 Q235 R236 L239K227-T231 PolarHBondContact O-N 3.2Å; K227-T231 PolarHBondContact O-OG1 2.96Å; Y228-T231 WeakPolarHBondContact O-CB 3.33Å; Y228-T231 PolarHBondContact O-N 3.04Å; F229-T231 VanDerWaalsContact C-N 3.29Å; T231-Q235 HydrophobicContact CG2-CB 3.61Å; T231-R236 HydrophobicContact CG2-CG 4.12Å; T231-R236 PolarHBondContact O-NE 3.08Å; T231-L239 HydrophobicContact CG2-CB 4.29Å; T231-L239 HydrophobicContact CG2-CD2 4.24Å
232P94.3Very high94.9Very high63 Ų6364.7 Ų64.741%0.40935%0.349SS..  trans-54.1144.1175.9-26.234.4000111.7A234 Q235 R236P232-A234 PolarHBondContact O-N 3.22Å; P232-A234 VanDerWaalsContact O-N 3.07Å; P232-Q235 PolarHBondContact O-N 2.99Å; P232-R236 PolarHBondContact O-N 3.35Å
233P91.8Very high94.7Very high85 Ų8565.4 Ų65.455%0.55235%0.346SS*.G310 helixtrans-49.1-41.2-177.9-30.936.2000114.4Q235 R236P233-Q235 PolarHBondContact O-N 3.21Å; P233-R236 PolarHBondContact O-N 3.2Å
234A90.9Very high94.3Very high96 Ų9659.9 Ų59.979%0.79334%0.337SS*.G310 helixtrans-63.6-2117900000114.6P232P232-A234 PolarHBondContact O-N 3.22Å; P232-A234 VanDerWaalsContact O-N 3.07Å
235Q93.6Very high93.8Very high108 Ų10858.2 Ų58.251%0.50533%0.329SS..G310 helixtrans-105.1-0.3-178.7-65.9174.95.500112.6T231 P232 P233 L237 D238 L239T231-Q235 HydrophobicContact CG2-CB 3.61Å; P232-Q235 PolarHBondContact O-N 2.99Å; P233-Q235 PolarHBondContact O-N 3.21Å; Q235-L237 VanDerWaalsContact C-N 3.3Å; Q235-L237 PolarHBondContact O-N 3.24Å; Q235-D238 PolarHBondContact O-N 3.4Å; Q235-L239 PolarHBondContact O-N 2.82Å; Q235-L239 VanDerWaalsContact O-N 3.08Å
236R92.8Very high93Very high29 Ų2959.4 Ų59.411%0.10934%0.335CS..Hα-helixtrans-68.1-31.4-177.2-72.9179.4-177.4170.67.9112.4D81 Y228 T231 P232 P233 L239 L240D81-R236 IonicContact OD1-NH1 2.76Å; D81-R236 PolarHBondContact OD1-NH1 3.49Å; D81-R236 WeakPolarHBondContact OD2-CD 3.48Å; D81-R236 IonicContact OD2-CZ 2.63Å; D81-R236 IonicContact OD2-NE 2.62Å; D81-R236 IonicContact OD2-NH1 3.07Å; D81-R236 PolarHBondContact OD2-NH1 3.47Å; Y228-R236 HydrophobicContact CE2-CB 4.24Å; Y228-R236 HydrophobicContact CE2-CG 4.24Å; T231-R236 HydrophobicContact CG2-CG 4.12Å; T231-R236 PolarHBondContact O-NE 3.08Å; P232-R236 PolarHBondContact O-N 3.35Å; P233-R236 PolarHBondContact O-N 3.2Å; R236-L239 PolarHBondContact O-N 2.9Å; R236-L240 WeakPolarHBondContact O-CB 3.45Å; R236-L240 WeakPolarHBondContact O-CD1 3.48Å; R236-L240 WeakPolarHBondContact O-CG 3.43Å; R236-L240 PolarHBondContact O-N 3.04Å
237L89.8Confident91.6Very high43 Ų4359.1 Ų59.123%0.22534%0.344CS..Hα-helixtrans-68-42.3177.2-60.6-175.9000111.3W75 V78 P82 Q235 L239 L240 T241 L246W75-L237 HydrophobicContact CH2-CD1 4Å; W75-L237 HydrophobicContact CH2-CD2 3.83Å; W75-L237 HydrophobicContact CH2-CG 4.48Å; W75-L237 HydrophobicContact CZ2-CD1 3.81Å; W75-L237 HydrophobicContact CZ2-CD2 3.39Å; W75-L237 HydrophobicContact CZ2-CG 4.24Å; V78-L237 HydrophobicContact CG1-CD1 4.3Å; P82-L237 HydrophobicContact CG-CD2 3.83Å; Q235-L237 VanDerWaalsContact C-N 3.3Å; Q235-L237 PolarHBondContact O-N 3.24Å; L237-L239 VanDerWaalsContact C-N 3.35Å; L237-L239 PolarHBondContact O-N 3.43Å; L237-L240 PolarHBondContact O-N 3.23Å; L237-T241 PolarHBondContact O-N 2.95Å; L237-T241 PolarHBondContact O-OG1 3.33Å; L237-L246 HydrophobicContact CB-CD1 4.39Å; L237-L246 HydrophobicContact CD2-CD1 4.18Å
238D91.8Very high89.4Confident102 Ų10256.6 Ų56.655%0.54535%0.351SS..Hα-helixtrans-61.5-46.2174.8-58.5-21.5000110.3Q235 L240 T241 D242Q235-D238 PolarHBondContact O-N 3.4Å; D238-L240 VanDerWaalsContact C-N 3.31Å; D238-L240 PolarHBondContact O-N 3.41Å; D238-T241 WeakPolarHBondContact O-CA 3.33Å; D238-T241 WeakPolarHBondContact O-CB 3.5Å; D238-T241 PolarHBondContact O-N 3.1Å; D238-T241 VanDerWaalsContact O-N 3.1Å; D238-D242 PolarHBondContact O-N 3.32Å
239L94.4Very high87Confident11 Ų1160 Ų606%0.05839%0.385CS..Hα-helixtrans-58-42.1175.5179.570.4000112.7K227 Y228 T231 Q235 R236 L237 T241 D242 W243K227-L239 HydrophobicContact CD-CD1 4.17Å; K227-L239 HydrophobicContact CG-CD1 4.26Å; Y228-L239 HydrophobicContact CD2-CD2 4.12Å; T231-L239 HydrophobicContact CG2-CB 4.29Å; T231-L239 HydrophobicContact CG2-CD2 4.24Å; Q235-L239 PolarHBondContact O-N 2.82Å; Q235-L239 VanDerWaalsContact O-N 3.08Å; R236-L239 PolarHBondContact O-N 2.9Å; L237-L239 VanDerWaalsContact C-N 3.35Å; L237-L239 PolarHBondContact O-N 3.43Å; L239-T241 VanDerWaalsContact C-N 3.31Å; L239-D242 PolarHBondContact O-N 3.37Å; L239-W243 HydrophobicContact CD1-CD2 4.46Å; L239-W243 HydrophobicContact CD1-CZ2 3.84Å; L239-W243 HydrophobicContact CD2-CH2 3.79Å; L239-W243 HydrophobicContact CD2-CZ2 3.78Å; L239-W243 HydrophobicContact CD2-CZ3 4.28Å; L239-W243 HydrophobicContact CG-CD2 4.19Å; L239-W243 HydrophobicContact CG-CH2 4.24Å; L239-W243 HydrophobicContact CG-CZ2 3.88Å; L239-W243 VanDerWaalsContact O-CG 3.27Å; L239-W243 PolarHBondContact O-N 3.08Å
240L91.8Very high84.2Confident0 Ų066.4 Ų66.40%042%0.416CS..Hα-helixtrans-70.2-31178.8-72.1167.3000111.9F66 M70 P82 Y228 R236 L237 D238 W243 G244 Y245 L246F66-L240 HydrophobicContact CE1-CD2 4.21Å; F66-L240 HydrophobicContact CZ-CD1 4.41Å; F66-L240 HydrophobicContact CZ-CD2 4.04Å; M70-L240 HydrophobicContact CE-CD1 3.82Å; M70-L240 HydrophobicContact CE-CD2 4.3Å; M70-L240 HydrophobicContact CE-CG 4.47Å; M70-L240 HydrophobicContact CG-CD2 4.32Å; M70-L240 HydrophobicContact SD-CD1 4.31Å; P82-L240 HydrophobicContact CB-CD1 3.93Å; P82-L240 HydrophobicContact CG-CD1 3.66Å; Y228-L240 HydrophobicContact CD2-CD2 4.45Å; Y228-L240 HydrophobicContact CE2-CD1 4.14Å; Y228-L240 HydrophobicContact CE2-CD2 4.12Å; Y228-L240 HydrophobicContact CE2-CG 4.18Å; R236-L240 WeakPolarHBondContact O-CB 3.45Å; R236-L240 WeakPolarHBondContact O-CD1 3.48Å; R236-L240 WeakPolarHBondContact O-CG 3.43Å; R236-L240 PolarHBondContact O-N 3.04Å; L237-L240 PolarHBondContact O-N 3.23Å; D238-L240 VanDerWaalsContact C-N 3.31Å; D238-L240 PolarHBondContact O-N 3.41Å; L240-W243 HydrophobicContact CD2-CE3 3.97Å; L240-W243 HydrophobicContact CD2-CZ3 4.32Å; L240-W243 PolarHBondContact O-N 2.88Å; L240-G244 PolarHBondContact O-N 2.74Å; L240-Y245 HydrophobicContact CD2-CD2 3.94Å; L240-Y245 PolarHBondContact O-N 3.02Å; L240-L246 HydrophobicContact CB-CD1 3.93Å; L240-L246 HydrophobicContact CB-CG 4.11Å
241T90.6Very high81.5Confident54 Ų5470.8 Ų70.833%0.33143%0.429SS..Hα-helixtrans-66.3-46.7171.8-55.10000110.3L237 D238 L239 W243 G244L237-T241 PolarHBondContact O-N 2.95Å; L237-T241 PolarHBondContact O-OG1 3.33Å; D238-T241 WeakPolarHBondContact O-CA 3.33Å; D238-T241 WeakPolarHBondContact O-CB 3.5Å; D238-T241 PolarHBondContact O-N 3.1Å; D238-T241 VanDerWaalsContact O-N 3.1Å; L239-T241 VanDerWaalsContact C-N 3.31Å; T241-W243 PolarHBondContact O-N 3.1Å; T241-G244 WeakPolarHBondContact O-CA 3.17Å; T241-G244 PolarHBondContact O-N 3.48Å
242D93.1Very high78.8Confident134 Ų13476.9 Ų76.972%0.71746%0.46SS*.Hα-helixtrans-59.9-30.9174.5-72.9-11.5000112.6D238 L239 G244D238-D242 PolarHBondContact O-N 3.32Å; L239-D242 PolarHBondContact O-N 3.37Å; D242-G244 VanDerWaalsContact C-N 3.26Å
243W93.9Very high76.2Confident53 Ų5379.9 Ų79.920%0.20147%0.473CS..THydrogen-bonded Turntrans-81.4-1.8175-70.1-4.9000114.1F62 K224 K227 Y228 L239 L240 T241 Y245F62-W243 HydrophobicContact CZ-CH2 4.23Å; F62-W243 AromaticContact CZ-CZ3 3.95Å; F62-W243 HydrophobicContact CZ-CZ3 3.95Å; K224-W243 HydrophobicContact CD-CH2 4.44Å; K224-W243 HydrophobicContact CD-CZ3 4.48Å; K224-W243 HydrophobicContact CG-CE3 4.44Å; K224-W243 HydrophobicContact CG-CH2 3.48Å; K224-W243 VanDerWaalsContact CG-CH2 3.48Å; K224-W243 HydrophobicContact CG-CZ2 3.64Å; K224-W243 HydrophobicContact CG-CZ3 3.94Å; K224-W243 VanDerWaalsContact O-CH2 3.32Å; K224-W243 WeakPolarHBondContact O-CH2 3.43Å; K227-W243 HydrophobicContact CB-CZ2 4.29Å; K227-W243 HydrophobicContact CD-CZ2 4.09Å; K227-W243 HydrophobicContact CG-CZ2 4.2Å; Y228-W243 HydrophobicContact CD2-CH2 4.35Å; Y228-W243 HydrophobicContact CD2-CZ3 4.04Å; L239-W243 HydrophobicContact CD1-CD2 4.46Å; L239-W243 HydrophobicContact CD1-CZ2 3.84Å; L239-W243 HydrophobicContact CD2-CH2 3.79Å; L239-W243 HydrophobicContact CD2-CZ2 3.78Å; L239-W243 HydrophobicContact CD2-CZ3 4.28Å; L239-W243 HydrophobicContact CG-CD2 4.19Å; L239-W243 HydrophobicContact CG-CH2 4.24Å; L239-W243 HydrophobicContact CG-CZ2 3.88Å; L239-W243 VanDerWaalsContact O-CG 3.27Å; L239-W243 PolarHBondContact O-N 3.08Å; L240-W243 HydrophobicContact CD2-CE3 3.97Å; L240-W243 HydrophobicContact CD2-CZ3 4.32Å; L240-W243 PolarHBondContact O-N 2.88Å; T241-W243 PolarHBondContact O-N 3.1Å; W243-Y245 VanDerWaalsContact C-N 3.33Å; W243-Y245 HydrophobicContact CB-CD2 3.6Å; W243-Y245 HydrophobicContact CB-CE2 3.75Å; W243-Y245 HydrophobicContact CD2-CE2 4.5Å; W243-Y245 HydrophobicContact CE3-CD2 4.18Å; W243-Y245 AromaticContact CE3-CE2 3.92Å; W243-Y245 HydrophobicContact CE3-CE2 3.92Å
244G90.1Very high73.7Confident62 Ų6281.2 Ų81.264%0.63948%0.48SS*.THydrogen-bonded Turntrans77.513178.300000114.7L240 T241 D242L240-G244 PolarHBondContact O-N 2.74Å; T241-G244 WeakPolarHBondContact O-CA 3.17Å; T241-G244 PolarHBondContact O-N 3.48Å; D242-G244 VanDerWaalsContact C-N 3.26Å
245Y87.7Confident71.2Confident38 Ų3884.7 Ų84.715%0.14948%0.48CS..SBendtrans-81.8-25.4177-68.8-63.5000112.8L67 M70 E71 K224 L240 W243L67-Y245 HydrophobicContact CD2-CE2 3.97Å; M70-Y245 HydrophobicContact CB-CD1 3.64Å; M70-Y245 HydrophobicContact CB-CD2 4.47Å; M70-Y245 HydrophobicContact CB-CE1 4.27Å; M70-Y245 HydrophobicContact CB-CG 3.78Å; E71-Y245 HydrophobicContact CG-CD1 3.96Å; E71-Y245 HydrophobicContact CG-CE1 3.58Å; K224-Y245 PolarHBondContact NZ-OH 3.46Å; L240-Y245 HydrophobicContact CD2-CD2 3.94Å; L240-Y245 PolarHBondContact O-N 3.02Å; W243-Y245 VanDerWaalsContact C-N 3.33Å; W243-Y245 HydrophobicContact CB-CD2 3.6Å; W243-Y245 HydrophobicContact CB-CE2 3.75Å; W243-Y245 HydrophobicContact CD2-CE2 4.5Å; W243-Y245 HydrophobicContact CE3-CD2 4.18Å; W243-Y245 AromaticContact CE3-CE2 3.92Å; W243-Y245 HydrophobicContact CE3-CE2 3.92Å
246L81.4Confident68.7Low25 Ų2588.6 Ų88.613%0.13150%0.498CS..SBendtrans-116.7129177.9-56.4-179.9000108.6M70 W75 L237 L240M70-L246 HydrophobicContact CE-CD2 3.9Å; M70-L246 HydrophobicContact CE-CG 4.45Å; W75-L246 HydrophobicContact CD2-CD2 4.14Å; W75-L246 HydrophobicContact CE3-CD1 4.16Å; W75-L246 HydrophobicContact CE3-CD2 3.27Å; W75-L246 HydrophobicContact CE3-CG 4.35Å; W75-L246 HydrophobicContact CH2-CD1 4.06Å; W75-L246 HydrophobicContact CZ3-CD1 3.71Å; W75-L246 HydrophobicContact CZ3-CD2 3.54Å; W75-L246 HydrophobicContact CZ3-CG 4.21Å; L237-L246 HydrophobicContact CB-CD1 4.39Å; L237-L246 HydrophobicContact CD2-CD1 4.18Å; L240-L246 HydrophobicContact CB-CD1 3.93Å; L240-L246 HydrophobicContact CB-CG 4.11Å
247T67.5Low66Low91 Ų9198.8 Ų98.856%0.55855%0.554SS**  trans-80122166.3490000107.1G249T247-G249 PolarHBondContact O-N 3.36Å
248G53.6Low64.8Low62 Ų62101.6 Ų101.664%0.63957%0.571SS**SBendtrans-48.5133.2171.700000109.6E250G248-E250 PolarHBondContact O-N 3.44Å
249G46.5Very low63.4Low70 Ų70101.5 Ų101.572%0.72257%0.572SS**  trans-31.8121.4-160.800000115.9T247 E251T247-G249 PolarHBondContact O-N 3.36Å; G249-E251 VanDerWaalsContact C-N 3.28Å; G249-E251 PolarHBondContact O-N 2.98Å; G249-E251 VanDerWaalsContact O-N 3.08Å
250E38.6Very low61.6Low174 Ų174106.6 Ų106.681%0.81360%0.601SS**  trans-65.8102.5146.3-77.5177.2171.100105.4G248 D252G248-E250 PolarHBondContact O-N 3.44Å; E250-D252 PolarHBondContact O-N 3.23Å; E250-D252 VanDerWaalsContact O-N 3.1Å
251E40.2Very low59.9Low162 Ų162112.8 Ų112.876%0.75764%0.636SS**  trans-51.5115.3163.8-70.4179.8163.300107.2G249 N253G249-E251 VanDerWaalsContact C-N 3.28Å; G249-E251 PolarHBondContact O-N 2.98Å; G249-E251 VanDerWaalsContact O-N 3.08Å; E251-N253 PolarHBondContact O-N 3.3Å
252D40.3Very low58Low152 Ų152116.5 Ų116.581%0.81366%0.655SS**  trans-69.173.9174.1-141-2.4000107.8E250 T254E250-D252 PolarHBondContact O-N 3.23Å; E250-D252 VanDerWaalsContact O-N 3.1Å; D252-T254 PolarHBondContact O-N 2.86Å; D252-T254 PolarHBondContact OD1-OG1 3.07Å
253N40.3Very low55.6Low126 Ų126115.3 Ų115.367%0.67465%0.651SS**  trans-8065.9171-108.3-22.5000107.9E251 Q255E251-N253 PolarHBondContact O-N 3.3Å; N253-Q255 PolarHBondContact O-N 3.37Å
254T38.7Very low52.9Low114 Ų114119.8 Ų119.870%0.69968%0.683SS**  trans-91.583.8156.9-4.10000107.6D252 E256D252-T254 PolarHBondContact O-N 2.86Å; D252-T254 PolarHBondContact OD1-OG1 3.07Å; T254-E256 PolarHBondContact O-N 3.46Å
255Q38Very low50Low169 Ų169124.2 Ų124.279%0.7969%0.687SS**  trans-66.1120.6159.6-77.8-178.9-9.300107.9N253N253-Q255 PolarHBondContact O-N 3.37Å
256E40.5Very low46.9Very low190 Ų190131.4 Ų131.489%0.88873%0.731SS**  trans-52.7131.8166.5-67.1174.5146.500110.3T254T254-E256 PolarHBondContact O-N 3.46Å
257N36.7Very low43.7Very low242 Ų242141.1 Ų141.1100%1.29479%0.786SS**  trans-131.60152.9-102.9-14.1000107.5

Retrieved 257 of 257 residues in 54.5 ms (Link to these results)

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